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r-test-rigid1.sdf
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r-test-rigid1.sdf
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Tanimoto-above95-compared-to-r-CHEMBL1088912-1.sdf
OpenBabel08201417163D
10 11 0 0 0 0 0 0 0 0999 V2000
5.0580 -4.7760 -1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0090 -4.7610 -2.4740 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3880 -5.9100 -3.1310 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2760 -5.8210 -4.1980 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7500 -4.5750 -4.5700 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3240 -3.4630 -3.8690 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8810 -7.2740 -2.7460 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2870 -7.2480 -1.3390 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4850 -3.5850 -2.8640 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2830 -6.0920 -1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 10 1 0 0 0 0
2 3 2 0 0 0 0
2 9 1 0 0 0 0
3 4 1 0 0 0 0
3 7 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 9 2 0 0 0 0
7 8 1 0 0 0 0
8 10 1 0 0 0 0
M END
> <ATOMTYPES>
C.3
C.ar
C.ar
C.ar
C.ar
C.ar
C.3
C.3
N.ar
C.3
> <BRANCH @atom-number eligible-atmtype-to-connect>
1 N.3
> <fragments similar>
r-CHEMBL1088912-1.sdf
r-CHEMBL1088913-1.sdf
r-CHEMBL1088916-1.sdf
r-CHEMBL1089434-1.sdf
r-CHEMBL1089844-1.sdf
r-CHEMBL1089845-1.sdf
r-CHEMBL1089846-1.sdf
r-CHEMBL1091591-3.sdf
r-CHEMBL1092301-1.sdf
r-CHEMBL1092302-1.sdf
r-CHEMBL1092324-1.sdf
r-CHEMBL1092596-1.sdf
r-CHEMBL1092628-1.sdf
r-CHEMBL1092637-3.sdf
r-CHEMBL1093008-1.sdf
r-CHEMBL1094864-2.sdf
r-CHEMBL1096504-2.sdf
r-CHEMBL577268-2.sdf
$$$$