chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
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CHEMBL17090
|
[C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][C][=C][Branch1][N][N][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][O][C][Ring1][#C][=O]
|
CHEMBL17091
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][O][C][=N][S][C][Branch1][C][N][=N][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][S][O]
|
CHEMBL17092
|
[N][#C][C][C][N][N][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][O][C][Ring2][Ring1][Ring1][=O]
|
CHEMBL17093
|
[C][C][=C][C][=C][C][Branch2][Ring1][=N][C][O][C][=C][C][=C][Branch1][P][C][=N][N][Branch1][Branch1][C][C][C][#N][C][=Branch1][C][=O][O][Ring1][#Branch2][C][=C][Ring1][S][=C][Ring2][Ring1][Branch2]
|
CHEMBL17094
|
[C][C][C][C][N][N][=C][C][=C][Ring1][Branch1][N][=C][Branch1][C][N][N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][=C][Ring1][#C][Ring1][#Branch2]
|
CHEMBL17116
|
[N][C][=N][C][=Branch1][C][=O][C][N][=C][Branch2][Ring1][P][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][C][C][O][C][Ring2][Ring1][Branch2][N][Ring2][Ring1][=N]
|
CHEMBL17118
|
[C][C@@][Branch1][C][O][Branch1][=C][/C][=C][/C@H1][C][C][=C][C][=Branch1][C][=O][O][Ring1][#Branch1][C@H1][Branch1][C][O][C][C@@H1][Branch1][C][O][/C][=C][\C][=C][/C][=C][/C][O]
|
CHEMBL17119
|
[C][C][O][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C][C][=Branch1][C][=O][O][C][C]
|
CHEMBL17120
|
[C][N][C][C][C][Branch2][Ring1][=C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][S][C][C][Ring2][Ring1][=Branch2]
|
CHEMBL3309553
|
[C][C@H1][Branch1][C][O][C][N][C][=N][C][=C][C][Branch2][Branch1][=Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][S][=C][Ring2][Ring1][=Branch2][=N][Ring2][Ring2][=Branch1]
|
CHEMBL16519
|
[C][C][C][C][C][C][C][C@H1][Branch1][Branch2][C][C@H1][Branch1][C][O][C][S][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL16520
|
[C][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][O][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL16604
|
[C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring2][Ring1][=Branch1][O]
|
CHEMBL16605
|
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2]
|
CHEMBL17077
|
[N][#C][/N][=C][\N][Branch2][Ring1][C][C][C][C][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][C][N][Ring2][Ring1][Ring2][C][=C][C][=N][C][=C][Ring1][=Branch1]
|
CHEMBL16809
|
[C][O][C][=C][C][=C][C][Branch2][Ring2][=N][O][C][C][C][N][C][C][C][Branch2][Ring1][=N][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][S]
|
CHEMBL16810
|
[C][C][=C][C][=C][C][Branch2][Ring2][=N][O][C][C][C][N][C][C][C][Branch2][Ring1][=N][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][S]
|
CHEMBL3309264
|
[C][N][C][C][C@][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][O][C@H1][Ring1][#Branch2][C][=C][Branch2][Ring1][Branch2][C][C@@H1][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@][Ring2][Ring1][=N][Branch1][C][O][C@H1][Ring2][Ring2][C][C][Ring2][Ring1][=C]
|
CHEMBL16828
|
[C][O][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Branch1][O][C][=N][N][=C][Branch1][C][S][S][Ring1][=Branch1][C][=C][Ring1][S][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL16829
|
[C][C@@H1][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][Branch1][C][C][C@@][Ring1][N][Branch1][C][F][C][Branch1][C][O][C][C][Ring2][Ring1][C][Branch1][C][C][C][Ring2][Ring1][=Branch1][C][=Branch1][C][=O][C][O]
|
CHEMBL16832
|
[C][O][C][=C][C][=C][Branch2][Branch1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][S][C][Branch2][Ring1][#Branch1][C][=C][Branch1][C][O][C][=C][Branch1][=Branch1][O][C][Ring1][#Branch1][=O][C][C][C][C][C][C][Ring1][O][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring2][C][O][C]
|
CHEMBL17028
|
[F][C][=C][C][=C][Branch2][Ring2][Ring1][C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=C]
|
CHEMBL17029
|
[C][C][C][=Branch1][C][=O][N][Branch2][Ring1][C][C][C][C][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][/C][=Branch1][Ring2][=N][\C][#N][N][Ring2][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1]
|
CHEMBL17122
|
[C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=C][Branch1][Ring1][C][#N][C][#N]
|
CHEMBL17123
|
[C][C][C][C][N][C][=Branch1][C][=O][C][N][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][=C][Ring1][O][NH1][C][=Ring1][S][N][Branch1][Branch1][C][C][C][C][C][Ring2][Ring1][=Branch2][=O]
|
CHEMBL16607
|
[C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][C][C][N]
|
CHEMBL16608
|
[N][C][C][C][C][C][Ring1][Ring2][C][C][Ring1][=Branch1][C][Ring1][=Branch1][C][Ring1][=Branch1][Ring1][Ring2][C][C][C][Ring1][Ring1]
|
CHEMBL16700
|
[C][O][C][=C][C][=C][Branch2][Ring2][P][N][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][C][C][C][C][C][C][C@H1][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C@][Ring1][Branch2][Branch1][C][C][C][Ring1][=N][C][C][C@@][Ring1][P][Ring2][Ring1][Ring2][C][C][=C][Ring2][Ring1][P]
|
CHEMBL16701
|
[C][C][O][C][=Branch1][C][=O][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C@H1][Ring1][=Branch2][O][Ring1][Branch1]
|
CHEMBL16703
|
[C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1].[O][=C][Branch1][C][O][/C][=C][/C][=Branch1][C][=O][O]
|
CHEMBL16812
|
[C][O][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][Ring2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][C][Ring1][S][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL16895
|
[C][O][C][=C][C][Branch2][Ring2][O][N][C][=Branch1][C][=O][N][N][=C][Branch1][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][N][=C][Ring2][Ring1][Ring2][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][S]
|
CHEMBL16897
|
[O][=C][Branch1][C][O][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O]
|
CHEMBL16899
|
[C][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][Ring1][=C][=C][Ring2][Ring1][C]
|
CHEMBL16916
|
[C][N][C][C][N][Branch2][Ring2][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][C][Ring2][Ring1][O].[O][=C][Branch1][C][O][/C][=C][/C][=Branch1][C][=O][O]
|
CHEMBL16917
|
[C][=C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][C][C][C@][Branch1][P][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch2]
|
CHEMBL16919
|
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1]
|
CHEMBL16920
|
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O]
|
CHEMBL16853
|
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][O]
|
CHEMBL16854
|
[C][C][Branch1][C][C][O][C][=N][N][=C][Branch2][Ring1][S][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][#C][S][Ring2][Ring1][Ring2]
|
CHEMBL16937
|
[C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2]
|
CHEMBL16938
|
[C][N][C][C][N][Branch2][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch1]
|
CHEMBL16939
|
[C][C][C][C][Branch1][C][C][C][N][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S]
|
CHEMBL16429
|
[N][C][C][O].[O][=C][Branch1][C][O][C][=Branch1][C][=O][N][C][=N][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=C][S][Ring1][=C]
|
CHEMBL16431
|
[N][#C][C][=C][C][=C][Branch2][Branch1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][S][C@@H1][Branch2][Ring1][#Branch1][C][=C][Branch1][C][O][O][C][=C][Branch1][Branch1][C][Ring1][#Branch1][=O][C][C][C][C][C][C][Ring1][#Branch2][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring2][C]
|
CHEMBL16432
|
[C][=C][C][N][C][=Branch1][C][=O][O][C@H1][C][C][C@][Branch1][P][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch2]
|
CHEMBL16900
|
[O][=C][Branch2][Ring1][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F][N][C@@H1][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][Ring2][Ring1][=Branch1][=O]
|
CHEMBL16983
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C@H1][Branch1][#C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch1]
|
CHEMBL16984
|
[C][C][C][N][C][=Branch1][C][=O][C][N][=C][Branch2][Ring2][=Branch1][C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=Branch1][C][=O][O][C][C][C][C][=Branch1][C][=O][O][C][C][C][=C][Ring2][Ring1][#Branch1][NH1][C][=Ring2][Ring1][N][N][Branch1][Ring2][C][C][C][C][Ring2][Ring2][Ring2][=O]
|
CHEMBL3309510
|
[C][N][C][C][C@][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][O][C@H1][Ring1][#Branch2][C][=C][Branch2][Ring1][Branch2][C][C@H1][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@][Ring2][Ring1][=N][Branch1][C][O][C@H1][Ring2][Ring2][C][C][Ring2][Ring1][=C]
|
CHEMBL17007
|
[C][C][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][C][C][C][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][/C][=Branch1][Ring2][=N][\C][#N][N][Ring2][Ring1][#Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1]
|
CHEMBL17008
|
[C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=N][=O]
|
CHEMBL17009
|
[O][=C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch2][Ring1][C][O][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][Ring2][Ring1][Branch2]
|
CHEMBL17010
|
[O][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][=Branch2][O][C][C][=C][Branch1][C][Cl][Cl][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][Ring2][Ring1][Branch1]
|
CHEMBL17011
|
[C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][=C][N][Branch1][N][C][=Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][S][Ring1][N][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL17012
|
[O][=S][=Branch1][C][=O][Branch1][Branch1][O][C][C][Cl][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl]
|
CHEMBL1783455
|
[C][C][C@@][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C@@H1][Branch1][Ring2][C][C][N][O][Ring1][#C]
|
CHEMBL17026
|
[C][N][Branch1][C][C][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Ring2][Ring1][C]
|
CHEMBL17027
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C@@H1][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=Branch1]
|
CHEMBL3309554
|
[C][C@H1][Branch1][C][O][C][N][C][=N][C][=C][C][Branch2][Branch1][N][N][C][=C][N][=C][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][P][=C][Ring2][Ring1][#Branch2][=N][Ring2][Ring2][#Branch1]
|
CHEMBL1163490
|
[O][=C][Branch2][Ring2][=C][N][C][C@H1][O][C@@H1][Branch2][Ring1][=N][O][C][C@H1][O][C@@H1][Branch1][=C][C][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C@@H1][Branch1][C][O][C@@H1][Ring1][#C][O][C@H1][Branch1][C][O][C@@H1][Ring2][Ring1][Branch2][O][C@@H1][C][C][C][N][Ring1][Branch1]
|
CHEMBL16522
|
[C][S+1][Branch1][C][O-1][C][=N][N][=C][Branch2][Ring1][S][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][#C][S][Ring2][Ring1][Ring2]
|
CHEMBL16523
|
[C][#C][C@][Branch1][C][O][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][=C][Ring1][O][C][C][C][Ring1][#C][Ring2][Ring1][Ring1][C]
|
CHEMBL16524
|
[O][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring1][O][C][C][C][C][=C][NH1][C][=N][Ring1][Branch1]
|
CHEMBL16525
|
[O][=C][Branch1][P][N][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][N][C][=C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][O][N][Branch1][C][O][C][Ring1][#C][=C][Ring2][Ring1][Ring1]
|
CHEMBL16985
|
[C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C][N][C][C][N][Branch2][Ring1][O][C][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][=C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][#C]
|
CHEMBL16986
|
[O][=C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][O][C][C][Ring2][Ring1][Ring2]
|
CHEMBL17078
|
[N][#C][C][C][N][N][=C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=C][O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring1][#C][O][C][C][Ring2][Ring1][Branch1][=O]
|
CHEMBL17079
|
[N][#C][C][C][N][N][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][O][C][Ring2][Ring1][Ring1][=S]
|
CHEMBL3309511
|
[C][C@@H1][C][C][=C][Branch2][Ring2][N][C@@H1][O][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C@@][Ring1][#Branch2][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C@H1][Branch1][Ring2][C][Ring1][N][C@][Ring1][O][Branch1][C][O][C][Ring2][Ring1][Branch2][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring2][Ring1][=O]
|
CHEMBL17095
|
[O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]
|
CHEMBL17096
|
[C][C@][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C@H1][Ring1][#Branch1][C][C][C][C@H1][Ring1][O][O][Ring1][Branch1]
|
CHEMBL17097
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][S][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][=Branch2][C][O][C][C][O][=C][Ring2][Ring1][Branch1]
|
CHEMBL17098
|
[O][=C][Branch1][C][O][C@@H1][C][C@H1][C][C@@H1][Branch1][P][C][=C][C][=C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][S][Ring1][#Branch2][C][C][C@H1][Ring1][S][C][N][Ring2][Ring1][Ring2]
|
CHEMBL17099
|
[C][C][Branch1][S][C][N][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL17121
|
[N][C][=N][C][=C][Branch1][P][C][=N][N][Ring1][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring2][Ring1][#Branch2][Ring1][#Branch2]
|
CHEMBL16850
|
[C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][S][Ring2][Ring1][=Branch1]
|
CHEMBL16851
|
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1]
|
CHEMBL3309601
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=N+1][=N-1]
|
CHEMBL16610
|
[C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][N]
|
CHEMBL16611
|
[O][=C][C][C@H1][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][P][O][C][O][Ring1][#Branch1]
|
CHEMBL16612
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][C][C@H1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][=C][Ring1][P]
|
CHEMBL16614
|
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][O]
|
CHEMBL16615
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL17081
|
[C][C][=C][C][=C][Branch2][Ring1][=N][C][O][C][=C][C][=C][Branch1][P][C][=N][N][Branch1][Branch1][C][C][C][#N][C][=Branch1][C][=S][O][Ring1][#Branch2][C][=C][Ring1][S][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL17082
|
[C][C][C][C][C][C][C][C@H1][Branch1][Branch2][C][C@H1][Branch1][C][O][C][S][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][C]
|
CHEMBL16813
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][Branch1][C][O][=C][Branch1][Ring1][\C][#N][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F]
|
CHEMBL3309550
|
[C][C][N][C][C][N][Branch2][Branch1][P][C][C][=C][C][=C][Branch2][Ring2][N][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][C][=N][C][=C][N][Ring1][Branch1][C][=C][C][=N][C][Branch1][Branch2][N][C][C@H1][Branch1][C][C][O][=N][Ring1][O][=C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][P][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring2][Ring2][N]
|
CHEMBL16834
|
[N][#C][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][C][N][C][C][C][C][C][Ring1][Branch1]
|
CHEMBL16836
|
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][O]
|
CHEMBL16837
|
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL16838
|
[C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][NH1][Ring2][Ring1][C]
|
CHEMBL4543487
|
[C][C][N][C@@H1][C][C@H1][Branch1][C][N][C@@H1][Branch2][Ring1][C][O][C@H1][O][C][Branch1][Ring1][C][N][=C][Branch1][C][I][C][C@H1][Ring1][=Branch2][N][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][Ring1][O][C@H1][O][C][C@][Branch1][C][C][Branch1][C][O][C@H1][Branch1][Ring1][N][C][C@H1][Ring1][#Branch2][O]
|
CHEMBL4543488
|
[C][O][C][=C][C][Branch2][Ring1][#Branch2][N][N][=N][C][=C][N][=C][Branch1][C][C][C][=C][C][Ring1][#Branch1][=C][Branch1][C][C][N][=C][Ring1][N][Ring1][#C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1][O][C]
|
CHEMBL4543489
|
[C][C][N][C][C][N][Branch1][P][C][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][Ring2][Ring1][C]
|
CHEMBL1783803
|
[C][O][C@@H1][C][C][C@][Branch1][C][C][C@H1][Branch2][#Branch2][P][C][C][C@@][Branch1][C][C][C][C][=C][C][C@@H1][C][Branch1][C][C][Branch1][C][C][C@H1][Branch2][Branch2][Branch1][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][C][=C][C][=Branch1][C][=O][C][Branch2][=Branch1][=Branch2][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C@@H1][C][C][C@@][Branch1][C][C][C@@H1][C][C][C@H1][C@@][Branch1][C][C][Branch2][Ring1][Branch2][C][C][C@@H1][C][Branch1][C][C][Branch1][C][C][C@H1][Branch1][Ring1][O][C][C][C][C@][Ring1][#Branch2][Ring1][#C][C][C][C][Ring2][Ring1][Branch1][=C][C][C@@H1][Ring2][Ring1][#Branch2][C][Ring2][Ring1][=C][Branch1][C][C][C][=C][O][Ring2][Ring2][#C][C][C][C@@][Ring2][Branch1][S][Branch1][C][C][C@@H1][Ring2][=Branch1][Branch1][C][C][C@@H1][Ring2][=Branch1][O][Ring2][=Branch1][S][C][Ring2][#Branch1][Ring2][Branch1][C][C][C]
|
CHEMBL16683
|
[C][=C][C][N][C][=Branch1][C][=O][N][C@H1][C][C][C@][Branch1][P][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch2]
|
CHEMBL16684
|
[C][C][C][=C][Branch1][S][S][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][N][Branch1][=Branch1][C][O][C][C][O][C][=Branch1][C][=O][NH1][C][Ring2][Ring1][Branch1][=O]
|
CHEMBL16685
|
[C][O][C][=C][C][=C][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Branch1][C][=O][C][Ring1][P][=Ring1][=N]
|
CHEMBL16686
|
[C][C][=C][C][=C][Branch2][Ring1][Branch2][S][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][=Branch2][C][O][C][C][O][C][=C][Ring2][Ring1][Branch1]
|
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