chembl_id
stringlengths
7
13
selfies
stringlengths
3
6.7k
CHEMBL583920
[C][C][=C][C][C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][Branch1][Branch1][N][C][C][O][=C][Ring1][#C][C][Branch1][Branch1][C][Ring2][Ring1][Branch1][C][Ring2][Ring1][Ring2]
CHEMBL601070
[C][C][C][C][N][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][N][Branch1][C][C][C][=Ring1][=N][S][Ring1][S]
CHEMBL601272
[C][C][C][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Branch1][O][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][C][N][C][C][C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][Ring1][O][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][#Branch1][C][C][Ring2][Ring2][Branch2]
CHEMBL601080
[C][C@@H1][C][N][Branch2][Branch1][S][C][=C][C][Branch2][Ring2][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][Branch2][Ring1][Branch2][C][Branch1][=Branch1][C][Branch1][C][N][=O][=N][N][Ring1][Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Ring2][=C][Branch1][C][Cl][C][=N][Ring2][Ring1][P][C][C][N][Ring2][Ring2][#Branch1][C]
CHEMBL1090649
[C][C@@H1][Branch2][Ring2][#Branch2][O][C@H1][C][N][C][=Branch1][C][=O][C][=C][Branch1][N][C][=C][C][=N][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring1][=C][C@@H1][Ring1][P][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C]
CHEMBL1090660
[C][O][C][=Branch1][C][=O][C@H1][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C@H1][C][=Branch1][C][=O][N][Branch2][Ring1][P][C][C][=Branch1][C][=O][N][C][C@H1][O][C@@H1][Branch1][=N][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C@H1][Branch1][C][O][C@@H1][Ring1][=C][O][C][=Branch1][C][=O][C@H1][Ring2][Ring1][O][Ring2][Ring2][Ring2]
CHEMBL1091010
[C][C][C][=Branch1][C][=O][O][C@@H1][C][C][=Branch1][C][=O][O][C@@H1][Branch2][Ring1][C][C][/C][=C][/C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][C][N][Branch1][C][C][C][C@H1][Branch1][C][O][C@H1][Branch1][C][C][C][C@H1][Branch1][Ring2][C][C][=O][C@H1][Branch2][Branch1][O][O][C@@H1][O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring2][Ring1][O][C@H1][C][C@@][Branch1][C][C][Branch1][Branch2][O][C][=Branch1][C][=O][C][C][C@@H1][Branch1][Branch2][O][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][O][Ring2][Ring1][C][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring2][Ring1][=N][O][C@H1][Ring2][=Branch1][Ring1][O][C]
CHEMBL1091740
[O][=C][Branch2][Ring2][=Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][N][O][C][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2]
CHEMBL1085459
[C][C][=C][N][Branch3][Ring2][Branch2][O][C][C][=Branch1][C][=O][N][Branch2][N][S][C][C][N][C][=Branch1][C][=O][C][N][Branch2][O][Ring1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][Branch2][Branch2][N][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][C][N][C][=Branch1][C][=O][C][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][=Branch1][C][=O][C][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][C][C][=Branch1][C][=O][N][C][C][N][Branch3][Ring1][O][Branch1][C][C][=Branch1][C][=O][N][C][C][N][Branch3][Ring1][=Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][N][Branch3][Ring1][=Branch1][=C][C][C][=Branch1][C][=O][N][C][C][N][Branch3][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][C][N][Branch3][Ring1][C][=C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][S][P][C][C][=Branch1][C][=O][N][C][C][N][Branch2][=C][S][C][C][=Branch1][C][=O][N][C][C][N][Branch2][N][S][C][C][=Branch1][C][=O][N][C][C][N][Branch2][O][Ring1][C][C][=Branch1][C][=O][N][C][C][N][Branch2][=Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][N][Branch2][#Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Branch1][Branch1][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O][C][=Branch1][C][=O][C][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C][=Branch1][C][=O][C][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][C][=Branch1][C][=O][C][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C][=Branch1][C][=O][C][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][=Branch1][C][=O][C][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][C][=Branch1][C][=O][C][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][=Branch1][C][=O][C][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C][=Branch1][C][=O][C][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][C][=Branch1][C][=O][C][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C][=Branch1][C][=O][C][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][C][=Branch1][C][=O][C][N][C][=N][C][C][=Branch1][C][=O][NH1][C][Branch1][C][N][=N][C][=Ring1][Branch2][Ring1][O][C][=Branch1][C][=O][C][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C][=Branch1][C][=O][C][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][C][=Branch1][C][=O][NH1][C][Ring3][Ring1][#Branch2][=Branch1][=O]
CHEMBL1077303
[C][N][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C@H1][O][C][C][C][C@H1][Ring1][=Branch1][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][P]
CHEMBL1076790
[C][C][C@H1][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][#Branch2][O][C@@H1][O][C@H1][Branch1][C][C][C][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring1][#Branch2][O][C][Branch1][C][C][=O][C@@][Branch1][C][C][Branch1][Ring1][O][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@][Ring2][Ring2][Branch2][Branch1][C][C][O]
CHEMBL162297
[C][#C][C][N][Branch2][Ring1][#C][C][C][=C][C][=C][N][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][N][=C][Branch1][C][O][C][Ring1][=C][=C][Ring2][Ring1][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1]
CHEMBL1091285
[O][=C][/C][=Branch1][=C][=C][/C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][C][C][/C][Ring1][#C][=C][\C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl]
CHEMBL1091311
[C][C][Branch1][C][C][C][C@@H1][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][P][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][O][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][Ring2][=Branch1][=N][=O]
CHEMBL1091319
[C][C][=Branch1][C][=O][O][C][C@H1][O][C@@H1][Branch2][Ring1][=Branch1][S][N][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Ring2][Ring1][O][O][C@H1][O][C@H1][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Ring2][Ring1][Ring1][O][C][Branch1][C][C][=O]
CHEMBL1092995
[O][=C][Branch2][Ring1][O][N][N][C][=Branch1][C][=O][/C][=Branch1][=N][=C][\C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][C][Ring1][=C][=S][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2]
CHEMBL1076738
[C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][N][Branch2][Branch1][P][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][N][C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C@@H1][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][Branch1][C][C][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][C][C][Ring2][Ring1][=N][=O][C][Ring2][Branch1][=Branch1][=O]
CHEMBL1076739
[C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][C@@H1][Branch2][Branch2][Branch1][C][=Branch1][C][=O][N][C@H1][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][N][Branch2][=Branch1][Branch1][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][N][C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C@H1][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C@H1][Branch1][P][C][C][=C][Branch1][C][C][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][C][N][Branch1][C][C][C][C][Ring2][Ring1][#C][=O][C][Ring2][Branch1][Branch2][=O][N][Branch1][C][C][C]
CHEMBL533010
[O][=C][Branch2][Ring1][=N][/C][=C][/C][=C][C][=C][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][C][=C][Ring1][S][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N]
CHEMBL610874
[N][=C][Branch1][C][N][N][C][C][C][C@@H1][Branch2][#Branch2][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C][C][C][C][C][N][C][=Branch1][C][=O][C@H1][O][C][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C@H1][Branch1][C][O][C@@H1][Ring1][S][O][C][=Branch1][C][=O][O]
CHEMBL1076098
[C][C][C][C][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch2][=Branch1][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][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@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring2][#C]
CHEMBL601082
[C][C][N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][C][Ring1][=C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]
CHEMBL603059
[O][=C][Branch1][C][O][C][C][C][=C][C][=C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
CHEMBL569690
[Cl][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][C][N][C][=N][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2]
CHEMBL570176
[N][=C][Branch2][#Branch1][=Branch1][N][C][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@H1][C][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][C][=C][C][=C][NH1][C][=C][Branch1][#Branch1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][C@@][Branch1][C][O][C@H1][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@@][Ring1][N][Branch1][N][C][C][N][Ring1][=N][C][C][C][C][Ring1][Ring1][C@H1][Ring2][Ring1][=Branch2][O][Ring1][N]
CHEMBL570178
[C][C][=Branch1][C][=O][N][N][=C][Branch2][Ring1][=Branch1][N][C][=N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][S][Ring1][N][C][C][Ring2][Ring1][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
CHEMBL568607
[C][C][C][N][C][C][=N][N][=C][Branch2][Ring2][C][N][C][=N][C][Branch1][C][C][=N][C][=C][Ring1][#Branch1][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][O][Ring2][Ring1][#Branch2]
CHEMBL606169
[C][C][N][/C][=C][/C][=C][Branch1][#Branch1][C][=C][Branch1][C][C][C][C][Branch3][Branch1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C@@H1][C@@H1][Ring1][#Branch1][C][C][C@@][Branch1][C][C][C@H1][Ring1][#Branch1][C][C][C@@][Ring1][=Branch1][Branch1][C][O][C][=C][N][Branch3][Ring2][#C][#C][C][C@H1][O][C@@H1][O][C@@H1][C@@H1][Branch2][Branch2][Ring1][C][N][C][=C][Branch2][#Branch1][#Branch1][C@][Branch1][C][O][C][C][C@H1][C@@H1][C][C][C][=C][C][Branch2][Branch1][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][Branch1][C][C][=C][Branch1][Ring2][N][C][C][C][=C][Ring1][#Branch2][C][C][=C][C][Branch1][Ring2][N][C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch2][Ring2][Ring1][=Branch1][=C][C][=C][Ring2][Ring2][Branch1][C@H1][Ring2][Ring2][=Branch2][C][C][C@@][Ring2][Ring2][=N][Ring2][Ring2][P][C][N][=N][Ring2][Branch1][#Branch1][O][C@H1][Branch3][Ring2][Branch2][Ring1][O][C@@H1][C@@H1][Branch2][Branch2][Ring1][C][N][C][=C][Branch2][#Branch1][#Branch1][C@][Branch1][C][O][C][C][C@H1][C@@H1][C][C][C][=C][C][Branch2][Branch1][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][Branch1][C][C][=C][Branch1][Ring2][N][C][C][C][=C][Ring1][#Branch2][C][C][=C][C][Branch1][Ring2][N][C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch2][Ring2][Ring1][=Branch1][=C][C][=C][Ring2][Ring2][Branch1][C@H1][Ring2][Ring2][=Branch2][C][C][C@@][Ring2][Ring2][=N][Ring2][Ring2][P][C][N][=N][Ring2][Branch1][#Branch1][O][C@H1][Branch3][Ring1][S][O][O][C@@H1][C@@H1][Branch2][Branch2][Ring1][C][N][C][=C][Branch2][#Branch1][#Branch1][C@][Branch1][C][O][C][C][C@H1][C@@H1][C][C][C][=C][C][Branch2][Branch1][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][Branch1][C][C][=C][Branch1][Ring2][N][C][C][C][=C][Ring1][#Branch2][C][C][=C][C][Branch1][Ring2][N][C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch2][Ring2][Ring1][=Branch1][=C][C][=C][Ring2][Ring2][Branch1][C@H1][Ring2][Ring2][=Branch2][C][C][C@@][Ring2][Ring2][=N][Ring2][Ring2][P][C][N][=N][Ring2][Branch1][#Branch1][O][C@H1][Branch3][Ring1][=Branch2][Ring1][O][C@@H1][C@@H1][Branch2][Branch2][Ring1][C][N][C][=C][Branch2][#Branch1][#Branch1][C@][Branch1][C][O][C][C][C@H1][C@@H1][C][C][C][=C][C][Branch2][Branch1][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][Branch1][C][C][=C][Branch1][Ring2][N][C][C][C][=C][Ring1][#Branch2][C][C][=C][C][Branch1][Ring2][N][C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch2][Ring2][Ring1][=Branch1][=C][C][=C][Ring2][Ring2][Branch1][C@H1][Ring2][Ring2][=Branch2][C][C][C@@][Ring2][Ring2][=N][Ring2][Ring2][P][C][N][=N][Ring2][Branch1][#Branch1][O][C@H1][Branch2][P][=N][O][C@@H1][C@@H1][Branch2][Branch2][Ring2][C][C][N][C][=C][Branch2][#Branch1][#Branch1][C@][Branch1][C][O][C][C][C@H1][C@@H1][C][C][C][=C][C][Branch2][Branch1][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][Branch1][C][C][=C][Branch1][Ring2][N][C][C][C][=C][Ring1][#Branch2][C][C][=C][C][Branch1][Ring2][N][C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch2][Ring2][Ring1][=Branch1][=C][C][=C][Ring2][Ring2][Branch1][C@H1][Ring2][Ring2][=Branch2][C][C][C@@][Ring2][Ring2][=N][Ring2][Ring2][P][C][N][=N][Ring2][Branch1][#Branch1][O][C@H1][Branch2][#Branch2][=Branch1][O][C@@H1][C@@H1][Branch2][Branch2][Ring1][C][N][C][=C][Branch2][#Branch1][#Branch1][C@][Branch1][C][O][C][C][C@H1][C@@H1][C][C][C][=C][C][Branch2][Branch1][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][Branch1][C][C][=C][Branch1][Ring2][N][C][C][C][=C][Ring1][#Branch2][C][C][=C][C][Branch1][Ring2][N][C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch2][Ring2][Ring1][=Branch1][=C][C][=C][Ring2][Ring2][Branch1][C@H1][Ring2][Ring2][=Branch2][C][C][C@@][Ring2][Ring2][=N][Ring2][Ring2][P][C][N][=N][Ring2][Branch1][#Branch1][O][C@H1][Branch1][P][O][C@H1][Ring3][Ring1][=Branch2][Ring2][C@H1][Branch1][C][O][C@H1][Ring3][Ring1][=Branch2][Branch1][O][C@H1][Branch1][C][O][C@H1][Ring2][=Branch1][Branch1][O][C@H1][Branch1][C][O][C@H1][Ring2][#Branch2][#Branch1][O][C@H1][Branch1][C][O][C@H1][Ring2][=C][Branch2][O][C@H1][Branch1][C][O][C@H1][Ring3][Ring1][C][=Branch2][O][C@H1][Branch1][C][O][C@H1][Ring3][Ring1][=Branch1][#Branch2][O][C@H1][Branch1][C][O][C@H1][Ring3][Ring1][#Branch2][O][O][N][=N][Ring3][Ring1][O][=Branch1][C][=C][C][Branch1][C][C][=C][Branch1][Ring2][N][C][C][C][=C][Ring1][#Branch2][C][Ring3][Ring1][=C][Ring2]
CHEMBL1078134
[C][C][Branch1][C][C][C][C][C][C@@][Branch1][C][C][C@H1][Ring1][Branch2][C@H1][Branch1][#C][O][C][=Branch1][C][=O][/C][=C][/C][=C][/C][=Branch1][C][=O][O][C][=C][C][O][C][=Branch1][C][=O][C@@][Ring1][=Branch1][Ring2][Ring1][Branch1][O]
CHEMBL4116103
[C][C][C][N][C][C][C][=C][Branch2][Ring1][#C][S][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][S][C][Branch1][C][N][=O][C][Ring2][Ring1][#Branch1]
CHEMBL608190
[O][C][C@H1][O][C][Branch2][Ring1][=C][N][C][=N][C][=C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][N][=C][N][=C][Ring1][#C][Ring2][Ring1][C][C@H1][Branch1][C][O][C@@H1][Ring2][Ring1][Branch2][O]
CHEMBL608706
[C][C][Branch1][C][C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][S][S][C][C@@H1][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring2][Branch1][S][=O]
CHEMBL608707
[C][O][C@@H1][C@H1][Branch2][O][#C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C@H1][C][S][S][C][C@@H1][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][Ring2][=Branch1][C][=O][C][C@H1][O][C@][Ring2][Branch2][O][Branch1][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][=Branch1][C][Ring1][=Branch2][=C][Ring1][=N][Ring2][Ring1][Ring2][C][=Branch1][C][=O][N][C][Ring1][S]
CHEMBL1093005
[C][C][=C][N][Branch3][Ring2][C][Branch1][C@H1][C][C@H1][Branch2][=C][Ring2][O][P][Branch1][C][O][=Branch1][C][=S][O][C][C@H1][O][C@@H1][Branch2][Ring1][Ring2][N][C][=N][C][C][=Branch1][C][=O][NH1][C][Branch1][C][N][=N][C][=Ring1][Branch2][Ring1][O][C@H1][Branch1][C][O][C@@H1][Ring1][P][O][P][Branch1][C][O][=Branch1][C][=S][O][C][C@H1][O][C@@H1][Branch2][Ring1][Ring2][N][C][=N][C][C][=Branch1][C][=O][NH1][C][Branch1][C][N][=N][C][=Ring1][Branch2][Ring1][O][C@H1][Branch1][C][O][C@@H1][Ring1][P][O][P][Branch1][C][O][=Branch1][C][=S][O][C][C@H1][O][C@@H1][Branch1][=N][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][C@H1][Branch1][C][O][C@@H1][Ring1][=C][O][P][Branch1][C][O][=Branch1][C][=S][O][C][C@@][C][O][C@H1][Branch2][Ring2][#Branch2][C@@H1][Ring1][Branch1][O][P][Branch1][C][O][=Branch1][C][=S][O][C][C@@][C][O][C@H1][Branch1][Branch1][C@@H1][Ring1][Branch1][O][C@H1][Branch1][=N][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][O][Ring1][S][C@H1][Branch1][=N][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][O][Ring2][Ring2][Branch1][C@@H1][Branch3][Ring1][Branch1][C][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@@H1][C@@H1][Branch3][Ring1][C][=N][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@@H1][C@@H1][Branch2][S][Branch1][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@@H1][C@@H1][Branch2][=N][P][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@@H1][C@@H1][Branch2][O][Branch1][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@@H1][C@@H1][Branch2][Branch2][=N][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@H1][C][C@H1][Branch1][S][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][O][C@@H1][Ring1][=C][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@H1][C@H1][O][C][C@@][Ring1][Branch1][Branch2][Ring2][=Branch1][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@H1][C@H1][O][C][C@@][Ring1][Branch1][Branch1][Ring1][C][O][O][C@H1][Ring1][Branch2][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][O][C@H1][Ring2][Ring1][=N][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C@@H1][Ring2][=Branch1][#C][O][O][C@@H1][Branch2][Ring1][Ring2][N][C][=N][C][C][=Branch1][C][=O][NH1][C][Branch1][C][N][=N][C][=Ring1][Branch2][Ring1][O][C@@H1][Ring2][Branch2][=Branch1][O][O][C@@H1][Branch1][=N][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][C@@H1][Ring2][=Branch2][#Branch2][O][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C@@H1][Ring2][#Branch2][S][O][O][C@@H1][Branch1][=N][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][C@@H1][Ring2][N][Ring2][O][O][Ring3][Ring1][Ring1][=N][C][=Branch1][C][=O][NH1][C][Ring3][Ring1][Ring2][Ring2][=O]
CHEMBL162495
[C][C][=C][C][=C][Branch2][=Branch1][Ring1][C][=C][C][=C][C][Branch2][Branch1][#Branch1][C][C@H1][Branch2][Ring2][=N][N][C][C@H1][Branch1][C][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][N][=O][=C][Ring2][Ring2][#Branch1][C][=C][Ring2][Ring2][=N]
CHEMBL180716
[O][C][C][N][Branch1][Ring2][C][C][O][C][=N][C][Branch1][#C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=C][N][=C][Branch1][#Branch2][N][Branch1][Ring2][C][C][O][C][C][O][N][=C][Branch1][#C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][Ring2][Ring1][#Branch1][=N][Ring2][Ring2][Branch1]
CHEMBL605628
[C][C][C@H1][Branch1][C][C][C@H1][Branch2][=C][S][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch2][=N][Ring2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][S][S][C][C@H1][Branch2][#Branch1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C@@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][O]
CHEMBL78310
[Cl][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][C][N][Ring1][=N][Ring1][Branch1][=C][Ring2][Ring1][Ring1]
CHEMBL264711
[C][S][C][C][C@H1][Branch2][#Branch2][#Branch2][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][C][C][N][=C][Branch1][C][N][N][C][Branch1][C][N][=O]
CHEMBL4116109
[O][C][=C][C][=C][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=C][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2]
CHEMBL4116110
[C][O][C][=C][C][=C][Branch2][Branch1][=Branch1][N][Branch1][C][C][C][=C][N][=C][Branch2][Ring1][N][S][C][C][=C][Branch1][C][F][C][=C][Branch1][N][C][#C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=C][F][N][Ring2][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring2][Branch1][O][C]
CHEMBL607213
[C][O][C][=C][C][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][C][C][C][C][C@@H1][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch2][O][C]
CHEMBL460994
[C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][=C][Ring2][Ring1][C]
CHEMBL1098970
[C][C][C@H1][Branch1][C][C][C@H1][Branch2][P][Ring2][N][C][=Branch1][C][=O][C@@H1][Branch2][S][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][S][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][Branch1][C][N][=O][C@@H1][Branch1][C][C][O][C][Branch1][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][O]
CHEMBL1077648
[C][C][C][C][C@][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C@][Branch1][C][C][C][=Branch2][Ring1][P][=C][C][C@@H1][C@@][Branch1][C][C][C][C@H1][Branch1][C][O][C][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@][Ring1][=C][Ring2][Ring1][Ring1][C][C@@H1][Ring2][Ring2][C][C@H1][Ring2][Ring2][=Branch1][C]
CHEMBL1084466
[C][S][C][C][C@H1][Branch2][=Branch1][#C][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][P][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C@H1][Branch2][=Branch2][P][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][=N][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][C@@H1][S][C][C@@H1][N][C][=Branch1][C][=O][N][C@H1][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][C][N][=O][C][Branch1][C][C][C]
CHEMBL1092016
[C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][N][=N][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][C]
CHEMBL1086439
[C][/C][=Branch2][Ring2][=Branch1][=C][\C][C][=C][Branch1][C][O][C][=C][O][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring1][=C][=C][Ring2][Ring1][Ring1][O][C][O]
CHEMBL1097210
[C][=C][Branch1][Ring1][C][O][C][C@@H1][C][C@H1][Branch1][C][O][C@][Branch1][C][C][O][C@@H1][C][C@@H1][O][C@@H1][C][C@][Branch1][C][C][O][C@][Branch1][C][C][C][C][C@@H1][O][C@@H1][C][C@][Branch1][C][C][O][C@@H1][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C@H1][Ring1][Branch2][C][C@H1][Ring1][=N][O][C@H1][Ring1][P][C][C@@H1][Branch1][C][C][C@H1][Ring2][Ring1][#Branch1][O][C@H1][Ring2][Ring1][=N][C][C@H1][Ring2][Ring2][C][O][C@@][Ring2][Ring2][=Branch1][Branch1][C][C][C][/C][=C][\C@H1][Ring2][Ring2][=N][O][C@H1][Ring2][Ring2][P][C][C@H1][Ring2][Branch1][=Branch1][O][Ring2][Branch1][O]
CHEMBL1098259
[C][C][=Branch1][C][=O][O][C@@H1][Branch1][Ring1][C][O][C@][Branch1][C][C][C][C][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][C@@H1][Ring1][=Branch2][C][C][=C][Branch2][Branch1][Branch1][C@][Branch1][C][O][C][C][C][=C][Branch1][C][O][C][=Branch1][C][=O][C][Branch1][C][C][=C][C][=Ring1][#Branch2][C@@H1][Branch1][Ring2][O][Ring1][#C][C@H1][Branch1][C][O][C@][Branch1][C][C][C][C][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][C@H1][Ring1][#C][Ring1][=Branch2][C][=C][Branch1][C][O][C][=Branch1][C][=O][C][=Ring2][Ring2][Ring1][C]
CHEMBL1094652
[N][C][C@H1][O][C][Branch2][=Branch1][=C][O][C@@H1][C@@H1][Branch1][C][N][C][C@@H1][Branch1][C][N][C@H1][Branch2][Ring2][P][O][C@H1][O][C@H1][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][N][C@H1][Ring2][Ring1][Branch2][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring2][Ring2][=Branch2][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring2][=Branch1][Branch2][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]
CHEMBL1083262
[C][C][N][Branch1][Ring1][C][C][C][C].[O][=C][Branch2][=Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][N][Branch2][Branch1][=N][C@@H1][O][C@H1][Branch2][Ring2][=C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@@H1][Branch1][C][O][C@H1][Ring2][Ring1][#C][O][C][Ring2][Ring2][#Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
CHEMBL1077336
[O][=C][Branch1][C][O][/C][=C][/C][=C][C][=C][Branch2][Branch1][Branch1][N][C][=Branch1][C][=O][C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][Ring1][O][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][Ring2][Ring1][O][C][=C][Ring2][Ring2][Ring2]
CHEMBL577336
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][C][C][C]
CHEMBL577349
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][/C][=C][\C][C][C][C][N][Branch2][Ring2][Ring2][C][C@@H1][Branch1][C][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C@H1][C][O][C@H1][O][C][C][C@@H1][Ring1][Branch2][Ring1][Branch1][S][Ring2][Ring2][Ring2][=Branch1][C][=O][=O]
CHEMBL577467
[C][O][C][=C][C][Branch2][Ring1][N][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][=C][C][Branch1][C][C][Branch1][C][C][N][Ring1][#Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1]
CHEMBL610272
[C][C][C][C][C][/C][=C][/C][/C][=C][/C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][C@@][Branch1][C][O][C@H1][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@@][Ring1][N][Branch1][N][C][C][N][Ring1][=N][C][C][C][C][Ring1][Ring1][C@H1][Ring2][Ring1][#Branch1][O][Ring1][N]
CHEMBL610275
[C][C][=Branch1][C][=O][N][C@H1][C][C][C@@][Branch1][C][O][C@H1][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@@][Ring1][N][Branch1][N][C][C][N][Ring1][=N][C][C][C][C][Ring1][Ring1][C@H1][Ring2][Ring1][#Branch1][O][Ring1][N]
CHEMBL1084170
[C][C@@H1][C][C@H1][Branch1][C][O][C][C][C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][=Branch1][C][=O][O][Ring2][Ring1][C]
CHEMBL1084192
[C][C][C@H1][Branch1][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@H1][Branch2][O][#Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][P][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][C][C][C]
CHEMBL530004
[O][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring2][#Branch1][C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][S][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][=C][Ring1][P][C][=C][Ring2][Ring1][#Branch1][C][C][C][N][C][C][Ring1][=Branch1].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]
CHEMBL530034
[C][O][C][=C][Branch2][Branch1][Branch1][C][C][C][N][Branch2][Ring2][=Branch2][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][=C][Ring2][Ring1][C][C][C][Ring2][Ring1][#C][C][=C][C][=C][Ring2][Ring2][Branch1][C][C][C][C][Ring1][=Branch1]
CHEMBL1083593
[C][C][=C][C][Branch1][C][C][=C][Branch2][Branch1][Branch2][N][C][Branch1][C][Cl][=C][N][C][Branch2][Ring1][#Branch2][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring2][Ring1][N][Ring2][Ring1][Branch2][C][Branch1][C][C][=C][Ring2][Ring2][Ring2]
CHEMBL1085285
[C][=C][C][=C][Branch2][Ring1][O][C][N][C][C][C][Branch1][S][C][N][C][=N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][P][C][=C][Ring2][Ring1][Branch2]
CHEMBL1076905
[C][C][Branch1][C][C][C@H1][Branch2][#Branch1][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][C@H1][Branch1][C][O][C@H1][Branch1][P][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][=N][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
CHEMBL1076651
[C][C][C@H1][Branch1][C][C][C@H1][Branch2][#Branch1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][125I][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][S][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=N][Ring1][#Branch1][C][=C][Ring1][=N][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]
CHEMBL1076054
[C][O][C][=C][C][=C][Branch2][=Branch1][#Branch1][C@@H1][C@H1][Branch2][Branch1][C][C][C][N][C][=C][Branch2][Ring2][Branch1][C][O][C@H1][C][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][C@@H1][Ring1][N][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][N][=N][Ring2][Ring1][O][C][=Branch1][C][=O][N][Ring2][Ring2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring2][=C]
CHEMBL610892
[C][=C][C][N][C][C][C@][C][C][=Branch1][C][=O][C][C][C@@][Ring1][#Branch1][Branch1][Ring2][O][C][C][C@H1][Ring1][=C][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][Ring2][Ring1][Ring2]
CHEMBL609157
[C][C][N][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=N][O][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][N][=N][N][Branch1][C][C][N][=Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][F]
CHEMBL609423
[C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2].[C][N+1][Branch1][C][C][Branch2][Branch1][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][N+1][Branch1][C][C][Branch1][C][C][C][C][O][C][C][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2][C][C][O][C][C][C][O][Ring1][=Branch1].[Br-1].[Br-1]
CHEMBL1076775
[C][C][C@H1][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][#Branch2][O][C@@H1][O][C@H1][Branch1][C][C][C][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring1][#Branch2][O][C][Branch1][C][C][=O][C@][Branch1][C][C][Branch1][C][O][C][C@@H1][Branch1][C][C][C][N][Branch1][C][C][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@][Ring2][Ring2][Branch2][Branch1][C][C][O]
CHEMBL1076656
[C][C][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][N][C][C@H1][C][C][C][C][C@H1][Ring1][=Branch1][C@H1][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][C][Ring1][#C][C][Ring2][Ring1][O]
CHEMBL580312
[S][=C][Branch2][Ring1][=C][N][C][C][C][C][C][N][C][C][C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][#C][N][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1]
CHEMBL154818
[C][C][C][C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][O][C][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][NH1][N][=Ring1][=Branch1]
CHEMBL583929
[C][C][Branch1][C][C][C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][Ring2][=Branch1][#C][=O]
CHEMBL589825
[O][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][Branch1][#Branch2][N][Branch1][Ring2][C][C][Cl][C][C][Cl][C][=C][Ring1][=N]
CHEMBL591201
[C][O][C][=Branch1][C][=O][N][C][C][C][=N][NH1][C][=C][Ring1][Branch1][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Ring1][Branch2][=O]
CHEMBL1077407
[O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][=C][Branch2][Ring1][=Branch1][C@H1][C][C][C@H1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch2][=O]
CHEMBL1090255
[C][C][C][Branch1][C][C][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][=N][C][C][N][C][C][=C][Branch1][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=N][C][Branch1][C][C][=C][Ring1][=N][O][C][=Branch1][C][=O][N][C@@H1][Branch2][=N][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][=N][C][C][N][C][C][=C][Branch1][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=N][C][Branch1][C][C][=C][Ring1][=N][O][C][=Branch1][C][=O][N][C@H1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][=N][C][C][N][C][C][=C][Branch1][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=N][C][Branch1][C][C][=C][Ring1][=N][O][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][=N][C][C][N][C][C][=C][Branch1][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=N][C][Branch1][C][C][=C][Ring1][=N][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][Ring2][#Branch1][C][=O][C@@H1][Branch1][C][C][O]
CHEMBL1091763
[C][O][C][O][C@@H1][Branch2][Ring1][P][C@H1][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C@@H1][O][C][Branch1][C][C][Branch1][C][C][O][C@H1][Ring1][#Branch1][C][O]
CHEMBL1209153
[O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][O][/N][=C][Branch1][=Branch2][\C][C][C][C][C][C][Ring1][=Branch1][C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1]
CHEMBL1090633
[C][C][Branch1][C][C][C][C@H1][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][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][Branch1][C][N][=O][C][S][S][C][Branch1][C][C][Branch1][C][C][C@H1][Branch2][S][Ring2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][#Branch1][C][C][Branch1][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][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][Branch1][C][N][=O][C][S][S][C][Ring2][#Branch1][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring2][#C][N][C]
CHEMBL162493
[O][=C][Branch2][Branch1][Ring1][N][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2][C@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2]
CHEMBL1076963
[C][C][Branch1][C][C][C][C@H1][Branch2][P][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch2][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][O]
CHEMBL1076906
[C][C][Branch1][C][C][C@H1][Branch2][#Branch1][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][C@H1][Branch1][C][O][C@H1][Branch1][P][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][=N][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
CHEMBL1077453
[C][=C][C@][Branch1][C][C][Branch3][Ring1][Ring1][Ring1][C][C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][O][C@@H1][C@@H1][Branch1][C][C][O][C@@H1][Branch2][P][Ring2][O][C@][Branch1][C][C][Branch1][Ring1][C][=C][C][C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][O][C@@H1][C@@H1][Branch1][C][C][O][C@@H1][Branch2][=C][N][O][C@][Branch1][C][C][Branch1][Ring1][C][=C][C][C][/C][=C][Branch1][C][/C][C][=Branch1][C][=O][O][C@H1][C][C@@][Branch2][Branch1][O][C][=Branch1][C][=O][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][P][O][C@@H1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C@@H1][Branch1][C][O][C@H1][Ring2][Ring1][C][O][C@@H1][Branch1][#Branch2][C][C][Ring2][Ring2][#Branch1][Branch1][C][C][C][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Branch1][N][O][C@@H1][O][C@H1][Branch2][Ring1][Branch1][C][O][C@@H1][O][C@H1][Branch1][C][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][Ring2][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring2][#Branch2][C][C][C@@][Ring2][Ring2][=C][Branch1][C][C][C@][Ring2][Branch1][Ring1][Branch1][C][C][C][C@H1][Ring2][#Branch1][=N][O][C@H1][Branch1][C][O][C@H1][Ring2][=Branch2][Branch1][O][C@H1][Branch1][C][O][C@H1][Ring2][#Branch2][O][O][O][C@@H1][O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O]
CHEMBL1076712
[C][C][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][NH1][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Ring1][#Branch2][=O]
CHEMBL1078817
[C][N+1][Branch1][C][C][Branch1][C][C][C][C][N][N+1][Branch1][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O].[I-1].[I-1]
CHEMBL532261
[C][O][C][=C][C][=C][C][=Branch2][Ring1][=Branch1][=N][N][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1][C][=C][Branch1][C][C][NH1][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2]
CHEMBL1096572
[C][C][=Branch1][C][=O][O][C@@][C][O][C@@H1][Ring1][Ring2][C][C@H1][Branch1][C][O][C@@][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][O][O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Branch1][C][C][C@@H1][Branch2][Ring1][S][O][C][=Branch1][C][=O][C@H1][Branch1][C][O][C@H1][Branch1][#Branch1][C][=C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C@@H1][O][C][=Branch1][C][=O][O][C@][Ring1][=Branch1][Branch2][Ring1][Branch2][C@@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring2][Ring2][P][Ring2][Branch1][Branch2][C][Ring2][Ring2][#Branch1][Branch1][C][C][C]
CHEMBL1084953
[C][N][Branch1][C][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2]
CHEMBL1084974
[C][N][C][C][N][Branch2][=Branch1][C][C][=C][C][=C][C][Branch2][Branch1][=Branch1][C][C][=N][N][C][Branch1][C][N][=C][Branch2][Ring1][P][C][=C][C][=C][Branch2][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][=C][Ring2][Ring1][C][C][=N][C][=Ring2][Ring1][N][Ring2][Ring1][=Branch2][=C][Ring2][Ring2][C][C][C][Ring2][Ring2][Branch2]
CHEMBL549249
[O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][Branch2][Ring1][=N][C][C][C][C][C][N][C][C][=C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][#C][C][C][C][Ring2][Ring1][#Branch2]
CHEMBL1075967
[C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][Branch2][=Branch1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][N][C][=Branch1][C][=S][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=Branch1][O][C][Ring1][=Branch1][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring1][C][C][C][C][/C][=C][\C][C][C][C][C][C][N][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][Branch1][C][N][=O][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][Ring2][Branch2][#Branch1][=O]
CHEMBL591912
[C][O][C][=C][C][=C][C][=C][Branch2][Ring1][N][C@H1][Branch1][C][O][C@H1][Branch1][C][C][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O][Cl]
CHEMBL590250
[C][C][Branch1][C][C][N][Branch1][Ring2][C][C][O][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2]
CHEMBL590259
[C][C][C][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Branch1][Branch1][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][=C][C][Branch1][=N][N][C][C][C][Branch1][Ring2][C][O][C][C][Ring1][Branch2][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2][C][C][Ring2][Ring2][Branch1]
CHEMBL555862
[Cl].[N][C][C][C][C][C@@H1][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][Branch1][Ring1][C][S][C][=Branch1][C][=O][N][Ring1][=N][C][=Branch1][C][=O][O]
CHEMBL553689
[C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][/C][=Branch1][Ring1][=N][/O][C][=Branch1][C][=O][N][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]
CHEMBL261102
[C][C][=C][C][=C][C][Branch2][Branch1][C][N][C][C][N][Branch2][Ring2][=Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][#C][=C][Ring2][Ring2][Branch1][C]