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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] |
Subsets and Splits