chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4245045 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch2][Ring1][#C][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4245047 | [O][=C][Branch1][C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][C][=C][C][=C][Branch1][=C][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][#C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4245051 | [C][C][Branch2][Ring1][=Branch2][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][O][C][C][=C][N][Branch2][Ring1][=N][C][C][C][N][C][=N][C][=C][Branch1][C][Br][C][Branch1][C][Br][=C][Branch1][C][Br][C][Branch1][C][Br][=C][Ring1][#Branch2][Ring1][=N][N][=N][Ring2][Ring1][Branch1] |
CHEMBL4245295 | [Cl].[N][C@@H1][Branch2][Ring2][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][Ring2][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring1][Ring1] |
CHEMBL4245297 | [C][C][=Branch1][C][=O][N][C@@H1][Branch1][P][C][S][C][=Branch1][C][=S][N][C][C][C][C][S+1][Branch1][C][C][O-1][C][=Branch1][C][=O][O] |
CHEMBL4245302 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][/C][=C][/C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][C][Branch1][S][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][Ring1][C][O][C][O][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][O] |
CHEMBL4245303 | [O][=C][Branch2][Ring1][P][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O] |
CHEMBL4245306 | [C][N][N][=C][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Branch1][#C][N][C][=N][NH1][C][=C][C][=C][N][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring1][S][Ring2][Ring1][Branch2] |
CHEMBL4245307 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=Ring1][O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] |
CHEMBL4245610 | [C][C][Branch1][C][C][=C][C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][O][C][Branch1][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][C][Ring1][=C][=O] |
CHEMBL4245611 | [C][C][=C][C][=C][Branch2][Ring2][Branch2][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][=C] |
CHEMBL4245614 | [C][C][Branch1][C][C][C][C@H1][Branch1][C][N][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][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Branch1][C][N][=O] |
CHEMBL4245617 | [O][=C][Branch1][S][N][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][C][N][Branch1][=C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C] |
CHEMBL4245622 | [O][=S][=Branch1][C][=O][Branch1][#C][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][C@@H1][Ring1][Branch1][C][C][N][C][C][=C][Branch1][P][C][=C][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S] |
CHEMBL4245626 | [O][=C][C][C][C@@H1][Branch1][P][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring1][#C] |
CHEMBL4245887 | [C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][C][Ring1][=Branch2][=N][Ring1][N][C][=C][Ring2][Ring1][C] |
CHEMBL4245889 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][=C][N][Branch2][Ring1][Ring1][C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O][N][=N][Ring1][P][C][Branch1][C][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4245893 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][Branch1][#Branch1][C][N+1][=Branch1][C][=O][O-1][S][C][=Branch1][C][=S][N][C][C@@H1][C][C@H1][Ring1][Branch1][C][N][Ring1][Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][N] |
CHEMBL4245897 | [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=N][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Ring1][=C][C][O][Ring2][Ring1][Ring1] |
CHEMBL4246190 | [C][=C][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch2][Ring2][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch2][Ring1][Branch2][O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=C][=N][Ring2][Ring1][Branch2][C][Ring2][Ring1][=N] |
CHEMBL4246193 | [C][C][Branch1][C][C][N][C][=N][C][Branch2][Ring2][N][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Ring2][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][Ring2][Ring2][Ring2] |
CHEMBL4246198 | [C][C][C][=C][C][=C][C][=N][C][=C][Branch1][C][Br][C][=C][Branch1][C][Br][C][Branch1][C][O][=C][Ring1][=Branch2][N][=C][Ring1][P][Ring1][=N] |
CHEMBL4246202 | [O][=S][=Branch1][C][=O][Branch1][#C][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][C@H1][Ring1][Branch1][C][C][N][C][C][N][Branch1][=C][C][=N][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][#C] |
CHEMBL4246204 | [C][C][O][C][=Branch1][C][=O][C][N][=N][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=Ring1][#C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] |
CHEMBL4246206 | [C][C][C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][Branch1][C][O][C][=Branch1][C][=O][N][Ring1][P][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2] |
CHEMBL4246445 | [C][C][=C][C][C@H1][C@H1][Branch1][Ring2][C][Ring1][=Branch1][C][=C][Branch1][C][O][C][=C][Branch1][P][/C][Branch1][C][C][=N][/O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][O][C][Ring2][Ring1][Branch2][Branch1][C][C][C] |
CHEMBL4246447 | [C][C][C][C][N][Branch2][Ring1][N][C][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][#C][C][C][Ring2][Ring1][=Branch2] |
CHEMBL4246450 | [C][C][N][Branch1][Ring1][C][C][C][C][C][N][C][=Branch1][C][=O][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O] |
CHEMBL4246452 | [O][=C][Branch1][Ring1][N][O][C][=C][NH1][C][=C][C][Branch1][C][Cl][=C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][C][Branch1][C][O][C][C][C][Ring1][Branch1][C][=C][Ring1][O][C][=C][Ring2][Ring1][Branch1][Ring2][Ring1][C] |
CHEMBL4246464 | [C][O][C][=C][C][=C][Branch1][O][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch2][C@@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring2][Ring1] |
CHEMBL4246755 | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][C][C][S][C][=N][C][=N][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] |
CHEMBL4246757 | [C][O][C][=C][C][=C][Branch2][Ring2][S][C][=N][C][Branch1][C][Cl][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][Branch1][N][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][C][=C][Ring1][=N][=N][Ring2][Ring1][O][C][=C][Ring2][Ring1][P] |
CHEMBL4246758 | [N][C][=C][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][/C][=Branch1][=Branch2][=C][\C][=C][C][=C][S][Ring1][Branch1][C][Ring2][Ring1][Ring1][=O] |
CHEMBL4246760 | [C][C][=C][C][=C][NH1][C][=C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][Ring1][=N][C][Ring1][P][=C][Ring2][Ring1][Branch1] |
CHEMBL4247059 | [O][=C][Branch2][Ring1][Branch1][C][=C][C][=C][NH1][C][=C][Branch1][#Branch1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][C][C][Ring1][#Branch1][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Ring2][Ring1][C] |
CHEMBL4247060 | [C][C][Branch1][C][C][C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][C][C][C][C][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][S] |
CHEMBL4247064 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Branch1][C][C][N][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4247065 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=S][S][C][Branch1][#Branch1][C][N+1][=Branch1][C][=O][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2] |
CHEMBL4247066 | [C][O][C][=C][C][Branch2][Ring1][N][N][C][=N][C][Branch1][C][C][=C][C][Branch1][=C][N][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][=N][Ring1][=C][=C][C][=C][Ring2][Ring1][Branch1][F] |
CHEMBL4247330 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][Branch1][C][Br][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Ring1][N][C][=C][Ring2][Ring1][C] |
CHEMBL4247331 | [O][C][C@H1][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][Cl][C@H1][Branch1][C][O][C@H1][Ring1][=Branch2][C][O] |
CHEMBL4247339 | [N][C][C][C][C][C@H1][Branch2][Branch2][=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][C][C][C][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][C][C][C][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][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O] |
CHEMBL4247345 | [C][C][=C][C][=C][Branch1][C][O][C][=C][C][=Branch1][#Branch1][=N][N][Ring1][#Branch2][Ring1][Branch1][C][C][C][Branch1][C][C][Branch2][Ring2][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=N][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=C][Ring1][=Branch2][Ring1][N][C][=C][Ring2][Ring1][C][Cl][C][Ring2][Ring1][#C] |
CHEMBL4247346 | [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][Ring1][=N] |
CHEMBL4247348 | [C][=C][C][=C][Branch2][Ring2][#Branch2][O][C][=C][C][=C][Branch2][Ring1][=N][/N][=C][\C][C][C][C@@H1][C@H1][C][C][C][N][C][C][C][C@H1][Branch1][#Branch1][C][N][Ring1][S][Ring1][N][C@@H1][Ring1][N][Ring1][Branch2][C][=C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][#C] |
CHEMBL4247352 | [C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][=Branch1][C][=O][C@@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1] |
CHEMBL4247355 | [C][C][C@H1][Branch2][Ring2][C][N][C][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1][C][C][C][Ring1][Ring1] |
CHEMBL4247701 | [C][C][Branch1][C][C][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][C][N][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][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O] |
CHEMBL4247704 | [C][C][Branch1][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=Ring1][O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] |
CHEMBL4247706 | [C][C][C][C][C@H1][C][C][C][C][C][C@@H1][Branch1][C][C][C][=C][C][Branch1][C][O][=C][Branch1][Branch2][C][Branch1][C][O][=C][Ring1][Branch2][C@@H1][Branch1][Branch1][C][C][C][C][C][C][C][C][C][C@@H1][Branch1][C][C][C][=C][C][Branch1][C][O][=C][Ring2][Ring1][P][C][Branch1][C][O][=C][Ring1][Branch2] |
CHEMBL4247707 | [C][C][O][C][=Branch1][C][=O][/C][=C][/C][=Branch1][C][=O][C@@H1][Branch1][O][C][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][N][C][C][O][C][C][Ring1][=Branch1] |
CHEMBL4247711 | [C][C][Branch1][C][C][C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][C][C][O][C@@H1][C][C][C][N][Branch1][C][C][C][Ring1][#Branch1][C][=C][Ring1][P] |
CHEMBL4247712 | [C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][O][C][=C][C][=Branch2][Ring1][=Branch1][=C][Branch1][C][C][C][Branch1][C][O][=C][Ring1][Branch2][C@@][Ring1][O][Branch1][C][C][C][Ring1][P][=O][O][/C][=Branch1][=Branch2][=C][\C][=C][C][=C][S][Ring1][Branch1][C][Ring2][Ring1][Ring2][=O] |
CHEMBL4247968 | [C][O][C][=C][C][=C][Branch1][P][N][C][=N][N][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][O][Ring1][=Branch2][C][=C][Ring1][S] |
CHEMBL4247970 | [C][C][Branch1][C][C][C][C@H1][Branch2][Branch2][=C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C@][Branch1][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][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][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][Ring2][Branch1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][O] |
CHEMBL4247977 | [C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Ring2][N][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][N][=C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][=N] |
CHEMBL4247979 | [C][C][=C][C][=C][Branch1][Branch2][C][=Branch1][C][=O][NH1][Ring1][#Branch1][C][=Branch1][C][=O][O][/C][Ring1][=Branch2][=C][\C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Ring1][O] |
CHEMBL4247980 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][Branch1][C][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][=Branch2][C][C][=C][N][=C][NH1][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][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][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@][Branch1][C][C][C][C][C][/C][=C][\C][C][C][C@@][Branch1][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch1][C][C][C][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@H1][Branch1][Ring1][C][O][N][C][Ring2][Ring2][#Branch2][=O] |
CHEMBL4247983 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=N][C][Branch1][Ring1][C][#N][=N][C][Branch1][#Branch2][N][C][C][C][N][C][C][Ring1][=Branch1][=N][Ring1][#C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4248256 | [C][=C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring2][C][C][N][N][=C][Branch1][=C][C][C][=N][N][Branch1][Branch1][C][C][O][C][C][=Ring1][=Branch2][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][#Branch2] |
CHEMBL4248257 | [C][O][C][=Branch1][C][=O][N][C][Branch2][#Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=N][C][=C][Branch2][=Branch1][=Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][N][C][Ring1][#Branch1][=C][Branch1][C][F][C][=C][C][Branch2][Ring2][=Branch1][C][=C][N][=C][Branch2][Ring1][O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][Branch2][N][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][NH1][Ring2][Ring1][Branch1][=C][C][=C][Ring2][Ring1][O][Ring2][Ring1][#C][NH1][Ring2][Ring2][N][C][Branch1][C][C][C] |
CHEMBL4248258 | [O][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][=C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C] |
CHEMBL4248261 | [C][C][O][C][O][C][=Branch1][C][=O][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl] |
CHEMBL4248262 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch2][Ring1][=N][/N][=C][\C][C][C][C@@H1][C@H1][C][C][C][N][C][C][C][C@H1][Branch1][#Branch1][C][N][Ring1][S][Ring1][N][C@@H1][Ring1][N][Ring1][Branch2][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4248499 | [C][C][=Branch1][C][=O][/C][Branch1][C][C][=N][/O][C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][N][Ring1][#Branch1] |
CHEMBL4248505 | [C][O][C][=N][C][=C][Branch2][Ring2][S][C][=C][C][Branch2][Ring1][N][O][C][C@@H1][C][C][C][N][Branch1][S][C][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][C][Ring1][#C][=C][C][=N][N][Branch1][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][O][C][=C][Ring2][Ring1][P][N][S][Branch1][C][C][=Branch1][C][=O][=O] |
CHEMBL4248508 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring2][Branch1][C][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][=N][C][=C][Ring2][Ring1][Branch1][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2] |
CHEMBL4248510 | [C][C@H1][Branch2][Ring1][=C][C][C][=C][C][=C][Branch2][Ring1][C][O][C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][=C][Ring1][P][N][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL4248513 | [C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][C][Ring1][N][C][=C][Ring2][Ring1][=Branch1][O][C] |
CHEMBL4248516 | [C][N+1][=C][C][=Branch1][#C][=C][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=Branch1][C][=O][/C][=Branch1][=N][=C][/C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring2][Ring1][#Branch1].[I-1] |
CHEMBL4248805 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][/C][=C][\C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=C][Ring1][O][C][Ring1][#C][=O][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4248807 | [C][O][C][=C][C][Branch1][S][/C][=C][/C][=Branch1][C][=O][N][C][C][C][=C][C][Ring1][=Branch1][=O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1][O][C][C][N][=N+1][=N-1] |
CHEMBL4248810 | [O][=C][Branch2][Ring2][C][C][O][C][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N][=C][Ring2][Ring1][C][O][C][C][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=Ring2][Ring1][Ring1] |
CHEMBL4248812 | [Cl].[O][=C][Branch1][C][O][C][C@@H1][C][O][C][=C][C][Branch2][Ring2][O][O][C][C][=C][C][=C][C][Branch2][Ring1][=N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=C][Ring2][Ring1][Branch2][=C][C][=C][Ring2][Ring1][S][Ring2][Ring2][Ring1] |
CHEMBL4248813 | [N][#C][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][C@H1][C][C@H1][Branch1][Ring2][C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring1][N] |
CHEMBL4248815 | [Cl][C][=C][C][=C][Branch2][Ring1][Branch1][C][=N][N][=C][Branch1][N][C][N][C][C][C][C][N][C][C][Ring1][=Branch1][NH1][Ring1][=C][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4248821 | [C][=C][C][C][C][C@][Branch1][C][C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][Branch1][C][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][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@][Branch1][C][C][Branch1][=Branch2][C][C@@H1][Branch1][C][C][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][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][Branch1][C][N][=O] |
CHEMBL4249039 | [C][N][C][=C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][=C][C][Ring2][Ring1][=Branch1][=N][Ring2][Ring1][=Branch2] |
CHEMBL4249044 | [C][C][Branch1][C][C][C][C][C][C@][Branch1][C][C][Branch2][=Branch1][=Branch2][C@H1][C][C][C@][Branch1][C][C][C@@H1][Ring1][=Branch1][C@H1][Branch1][C][O][C][C@@H1][C@@][Branch1][C][C][C][C][=C][Branch2][Ring1][#Branch1][NH1][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=C][Ring1][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring1][Branch1][C][=Branch1][C][=O][C][C@][Ring2][Ring1][#Branch2][Ring2][Ring1][S][C][O][Ring2][Ring2][N] |
CHEMBL4249045 | [C][C][=Branch1][C][=O][N][N][=C][Branch2][Ring1][N][N][C][=N][C][=Branch1][C][=O][/C][=Branch1][#C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][S][Ring1][S][S][C][Ring2][Ring1][=Branch1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4249046 | [C][C][C][C][C][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C@@][Branch1][C][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C@H1][Ring1][=Branch2][C][Ring1][=C] |
CHEMBL4249051 | [Cl][C][=C][C][=C][NH1][C][Branch2][Ring1][Ring2][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2] |
CHEMBL4249312 | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][C][C][S][C][=N][C][=C][Branch1][Ring1][C][O][C][=C][C][=C][Ring1][Branch2][O][Ring1][O] |
CHEMBL4249314 | [O][=C][Branch2][Ring1][Branch2][C][C][=C][C][=C][C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][S][N][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][S][Ring1][O] |
CHEMBL4249315 | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][C][C][S][C][=N][C][=C][C][=C][C][Branch1][Ring1][C][O][=C][Ring1][Branch2][O][Ring1][O] |
CHEMBL4249316 | [O][=C][Branch2][Branch1][Ring1][C][C][C][C][C][C][N][C][=C][Branch2][Ring2][C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][N][=N][Ring2][Ring1][#Branch2][N][O][C][C][C][C][C][O][Ring1][=Branch1] |
CHEMBL4249633 | [N][C][=C][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][/C][=Branch1][O][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring2][Ring1][Branch1][=O] |
CHEMBL4249635 | [C][C][C][Branch1][Ring1][C][C][N][C][=Branch1][C][=N][C][=C][C][=C][C][=C][Branch2][Ring2][Branch2][C][=C][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=N][N][C][Branch1][Ring1][C][C][C][C][C][=C][Ring1][=C][NH1][Ring1][P][C][=C][Ring2][Ring1][#Branch1][NH1][C][Ring2][Ring1][N][=C][Ring2][Ring1][S] |
CHEMBL4249640 | [O][=S][=Branch1][C][=O][Branch1][#C][C][=C][N][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][C@H1][Ring1][Branch1][C][C][N][C][C][N][Branch1][=C][C][=N][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][#C] |
CHEMBL4249643 | [O][=C][Branch1][C][O][C][C@@H1][C][O][C][=C][C][Branch2][Ring2][=N][O][C][C][=C][C][=C][C][Branch2][Ring1][#C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][=C][Ring2][Ring1][Branch2][=C][C][=C][Ring2][Ring1][S][Ring2][Ring2][Ring1] |
CHEMBL4249644 | [Cl].[N][C][C][N][Branch1][S][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4249650 | [O][C][=N][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][C][Branch1][#C][S][Branch1][C][F][Branch1][C][F][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][Ring1] |
CHEMBL4249652 | [C][C@@H1][C][C][C@H1][C@@][Branch1][C][C][Branch2][Branch1][Ring1][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C@@][Branch1][C][C][O][C@@H1][O][C@@][Branch1][C][C][C][C][C@H1][C@H1][Branch1][C][C][C][C][C@@H1][Ring1][#C][C@][Ring1][#Branch1][Ring1][=N][O][O][Ring1][=N][O][C@@H1][O][C@@][Branch1][C][C][C][C][C@@H1][Ring2][Ring2][=C][C@@][Ring2][Ring2][N][Ring1][Branch2][O][O][Ring1][Branch2] |
CHEMBL4249657 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C] |
CHEMBL4249896 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][N][=N][N][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch1][O][C][C][C][Cl] |
CHEMBL4249898 | [C][C][O][C][=Branch1][C][=O][/C][=C][/C@H1][Branch1][C][O][C@H1][Branch1][O][C][C][C][=C][C][=C][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][O][C] |
CHEMBL4249900 | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][=Branch1][Branch1][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][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O][C@@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][C][C][C] |
CHEMBL4249902 | [O][=C][C][=C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][O] |
CHEMBL4249903 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][Branch1][C][O][C][=Branch1][C][=O][N][C][C][C][C][Ring1][#Branch2][Ring1][Branch1][C][=C][Ring1][S] |
CHEMBL4250167 | [C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][S][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
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