chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4281462 | [C][O][C][=C][C][Branch1][Branch2][/C][=C][/C][Branch1][C][C][=O][=C][C][=C][Ring1][O][O][C][C][=C][N][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][N][=N][Ring1][=N] |
CHEMBL4281463 | [C][C][=C][C][Branch1][C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][N][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][N][Branch1][C][C][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][Branch2] |
CHEMBL4281546 | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][Branch2][Ring1][=Branch1][N][C][=N][C][Branch1][C][N][=N][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][N][Ring1][N][=C][Ring2][Ring1][Ring2] |
CHEMBL4281547 | [C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][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][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch3][Ring1][Branch2]... |
CHEMBL4281548 | [C][C][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][N][Ring2][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1] |
CHEMBL4281549 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][S][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Cl][=N][Ring1][#Branch1][=N][Ring1][#C][C][=C][Ring2][Ring1][Branch1][O][C] |
CHEMBL4281641 | [C][C@@H1][Branch2][Ring2][Ring2][N][C][=N][C][Branch1][O][N][C@H1][Branch1][C][C][C][C][C][Ring1][Ring1][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][=N][Ring2][Ring1][Ring1][C][C][C][Ring1][Ring1] |
CHEMBL4281642 | [S][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring1][=N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] |
CHEMBL4281643 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][O][C][=C][Ring1][Branch2][O] |
CHEMBL4281644 | [C][C][Branch2][Branch1][=Branch1][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][=N][C][Branch1][#Branch2][C][Branch1][Ring1][C][#N][C][C][Ring1][Branch1][=C][Ring1][O][=N][C][Branch2][Ring1][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][=N][Ring2][Ring1][O][C][Branch1... |
CHEMBL4281645 | [C][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][N][N][=C][N][=C][Branch2][Ring2][O][O][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1]... |
CHEMBL4281733 | [N][C][=N][C][O][C][=C][C][=C][Branch1][=N][C][C][C][N][Branch1][Ring1][C][=O][C][C][Ring1][Branch2][C][=C][Ring1][=C][C][=Branch1][C][=O][C][=Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][O] |
CHEMBL4281734 | [O][=C][Branch2][Branch1][C][/C][=C][/C][=C][C][=C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][N][C][=N][O][N][=C][Ring1][Branch1][/C][=Branch1][Ring1][=N][/O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Br][=C][Ring1][Branch2][=C][Ring2][Ring1][=N][N][O] |
CHEMBL4281735 | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][=Branch2][Branch1][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][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C... |
CHEMBL4281736 | [C][C][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][=C][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] |
CHEMBL4281827 | [C][N][C][C][C][Branch2][Ring2][Ring1][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][N][C][=C][C][=N][C][Branch1][C][N][=N][Ring1][#Branch1][S][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][=Branch2] |
CHEMBL4281828 | [C][=C][C][=Branch1][C][=O][N][C@@H1][C][C][N][Branch2][Ring2][Branch2][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch2][C][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=N][=N][Ring2][Ring1][#Branch1][C][Ring2][Ring1][N] |
CHEMBL4281829 | [C][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][P][=Branch1][C][=O][Branch1][C][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4281830 | [C][O][C][=C][C][=C][C][Branch2][=Branch1][Branch2][/C][=C][/C][=Branch1][C][=O][O][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch2][Ring2][=C][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C@H1][C][C@@][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C@][Ring1][#Branch2][Bran... |
CHEMBL4281831 | [C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][Ring1][=Branch1][=C][Branch1][C][C][S][Ring1][P] |
CHEMBL4281832 | [O][=C][Branch2][Ring2][Ring2][/C][=C][/C][=C][C][=C][Branch1][C][O][C][O][C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][=C][C][Ring2][Ring1][C][=Ring1][=N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4281907 | [O][=C][C][C][C][C][=Branch1][C][=O][C][Ring1][#Branch1][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][O] |
CHEMBL4281908 | [C][O][C][=C][C][Branch2][Ring1][Branch1][/C][=N][/N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring1][Branch2] |
CHEMBL4281909 | [C][C][Branch1][C][C][C][C@@H1][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][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][=Branch1][C][C][C][C][N][N][C][=Bran... |
CHEMBL4281910 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][C][N][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][N][Ring1][=Branch1][C][C][Ring1][P] |
CHEMBL4281911 | [C][O][C][C][O][C][C][N][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Ring1][S] |
CHEMBL4281991 | [C][=C][C][=Branch1][C][=O][O][C@@H1][C][C@@][Branch1][C][C][C][C][C@@H1][Branch1][P][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=C][C@@H1][Ring1][S][C][C@H1][Ring2][Ring1][Branch2][Ring2][Ring1][Ring2] |
CHEMBL4281992 | [O][=C][Branch2][Ring1][S][C][C][C][C][C][=C][N][Branch2][Ring1][C][C][=C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1][N][=N][Ring1][S][N][C][C][N][Branch2][Ring1][#Branch2][C][=C][C][=Branch1][#C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1][C][C][C][C][Ring1][=C][C][C... |
CHEMBL4281993 | [C][=C][C][C][C@H1][C@@][Branch1][C][C][Branch1][#C][C][C][C@@H1][Branch1][C][O][C@@][Ring1][Branch2][Branch1][C][C][C][O][C@@H1][Ring1][#C][C][C][Branch1][=Branch2][S][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][O][C][Ring1][Branch1][=O] |
CHEMBL4281994 | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][N][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][C][C][C][Branch1][C][F][Branch1][Branch1][C][C][Ring1][#Branch1][C][C][Ring1][=Branch2][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][N][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring2] |
CHEMBL4281995 | [C][=C][C][C][C@H1][C@@][Branch1][C][C][Branch2][Ring1][Ring2][C][C][C@H1][O][C][Branch1][C][C][Branch1][C][C][O][C][C@@][Ring1][=N][Ring1][Branch2][C][C@@H1][Ring2][Ring1][C][C][/C][=C][/C][=Branch1][C][=O][O][C][C@H1][Ring1][=Branch1][O][C][=Branch1][C][=O][C][S][C][=C][C][=C][S][Ring1][Branch1] |
CHEMBL4281996 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][Branch1][C][O][C][C][C][Ring1][Branch2][C][=C][Ring1][P] |
CHEMBL4281997 | [O][=P][Branch1][C][O][Branch1][C][O][C][P][=Branch1][C][=O][Branch1][C][O][O][C@@H1][C@H1][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C@H1][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C@@H1][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C@H1][Branch1][#Branch2][O][P][=Bra... |
CHEMBL4282081 | [C][O][C][=C][C][Branch1][#C][/C][=C][/C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C][O] |
CHEMBL4282082 | [C][C][N][C][=Branch1][C][=O][N][Branch1][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Ring1][Ring2][=C][C][=C][Ring1][=C][Ring2][Ring1][O] |
CHEMBL4282083 | [C][C][=C][C][C@@H1][C][=Branch1][P][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring1][O][O][C][Ring1][S][=O] |
CHEMBL4282084 | [C][C][C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][=C][Ring1][N][S][Ring1][#C] |
CHEMBL4282085 | [C][O][C][=Branch1][C][=O][C][=C][C@H1][Branch2][Branch1][S][N][C][=Branch1][C][=O][C@][C][C][C][Branch1][C][C][Branch1][C][C][C][C@H1][Ring1][Branch2][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@@][Ring1][=C][Branch1][C][C][C@][Ring2]... |
CHEMBL4282162 | [O][=C][Branch2][Ring1][Branch1][N][/N][=C][/C][=C][C][Branch1][C][Br][=C][Branch1][C][O][C][Branch1][C][Br][=C][Ring1][=Branch2][N][C][=C][C][=C][Branch1][#C][O][C][=C][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][Branch1][C][F][=C][Ring1][P] |
CHEMBL4282163 | [Cl].[Cl].[N][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][=C][Ring1][=N] |
CHEMBL4282164 | [C][C][C][N][C][S][C][=Branch1][C][=S][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][Ring1][O] |
CHEMBL4282165 | [C][O][C][C][N][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=N][C][Branch1][Ring1][C][#N][=C][NH1][Ring1][#Branch1][C][Branch1][#C][C][=C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2][=C][Ring2][Ring1][Branch2].[Cl] |
CHEMBL4282166 | [C][O][C][=C][C][=C][Branch2][Ring2][=N][O][C][=C][C][=C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=O][C][=C][Ring2][Ring1][#Branch2][F][C][=C][N][=C][Ring2][Ring2][C][C][=C][Ring2][Ring2][=Branch1][O... |
CHEMBL4282246 | [C][C][S][C][Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][=C][C][=Ring2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][Ring1][=Branch1] |
CHEMBL4282247 | [C][C][=C][C][=C][Branch2][Ring2][Ring1][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][C][=C][N][Ring1][Branch1][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P][C][C][=C][Ring2][Ring1][N] |
CHEMBL4282248 | [C][C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=C] |
CHEMBL4282249 | [C][C][=C][C][=C][Branch2][Ring2][Ring2][C][N][C][C][N][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl][C][C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4282333 | [C][C][=Branch1][C][=O][N][C][C][S][C][=Branch1][C][=S][N][C][C][C][C][S+1][Branch1][C][C][O-1] |
CHEMBL4282334 | [C][C][C][C][C][C][C][=C][C][=C][Branch2][#Branch1][O][C][=C][C][=C][Branch2][=Branch1][#C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][Branch1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][C][C][=C][N][Branch1][Branch1][N][=N][... |
CHEMBL4282335 | [C][C][Branch1][P][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][=O] |
CHEMBL4282336 | [C][C][=N][C][Branch2][Ring1][=N][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][C][Branch1][#C][N][C][C][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][Branch2][=N][C][=N][N][Ring2][Ring1][P][Ring1][=C] |
CHEMBL4282337 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring1][#Branch2][C][C][Branch1][C][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2] |
CHEMBL4282414 | [C][N][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][O] |
CHEMBL4282415 | [C][C][=C][C][C@][Branch1][C][C][C@@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][C@H1][Ring1][=Branch2][C][C@@][Ring1][=N][Branch1][C][O][C][C][Ring1][P][=O] |
CHEMBL4282416 | [C][/C][=Branch2][=Branch2][=C][=C][\C][=C][C][Branch1][C][F][=C][Branch2][Branch2][O][O][C][=C][C][=C][Branch2][#Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][O][C][C][O][C][C][N][C][=Branch1][C][=O][C][O][C][C][=Branch1][C][=O][N][C][C][O][C][C][O][C][C][O][C][C][N][S][=Branch1][C][=O][=Branch1]... |
CHEMBL4282417 | [C][O][C][=C][C][=C][Branch2][Ring2][=N][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring2][Ring1][#Branch2][Ring1][O][C][=C][Ring2][Ring1][S][O][C] |
CHEMBL4282418 | [C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Ring1][Ring2][=C][C][=C][Ring1][=C][N][Branch1][Ring1][C][C][C][Ring2][Ring1][Branch1][=O] |
CHEMBL4282419 | [O][=C][Branch2][Ring1][C][/C][=C][\N][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][=C][C][=C][N][Ring1][S][Ring1][=Branch1] |
CHEMBL4282506 | [N][#C][C][C][=Branch1][C][=O][N][/N][=C][\C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][Ring2][Ring1][Ring1] |
CHEMBL4282507 | [C][C][O][C][=N][C][=N][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][Ring1][=C][C][=Ring1][P][C][=Branch1][C][=O][O] |
CHEMBL4282508 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][#Branch2][=Branch2][N][C][=Branch1][C][=O][C@@H1][Branch2][=Branch2][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][S][C][C][P+1][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch2][#Branch1][#Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][=Branch1... |
CHEMBL4282509 | [C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][C][C][=C][C][=Branch1][C][=O][C][C][C@H1][Branch1][C][C][C@@][Ring1][Branch2][Branch1][C][C][C][Ring1][=N] |
CHEMBL4282510 | [C][C][C][C@H1][Branch1][C][C][N][C][=N][C][=C][C][Branch1][P][C][=C][C][=C][N][=C][Branch1][C][C][O][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][N][Branch1][N][C@H1][C][C][C@H1][Branch1][C][O][C][C][Ring1][#Branch1][C][Ring2][Ring1][=Branch1][=N][Ring2][Ring1][#Branch2] |
CHEMBL4282594 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring1][Branch1] |
CHEMBL4282595 | [C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][#C][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring1][=C][=O][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][Ring1][S][=O] |
CHEMBL4282596 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][C][=C][Branch2][Ring2][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C@H1][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][C][Ring1][S][C][=C][Ring2][Rin... |
CHEMBL4282597 | [O][=C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][#C][O][C][=C][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Ring1][S][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=O] |
CHEMBL4282664 | [N][#C][C][=C][N][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Ring1][#C][N][C][C@@][C][C@H1][C][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][C@H1][Branch1][C][N][C@H1][Branch1][Ring2][C][Ring1][Branch2][C][Ring1][O] |
CHEMBL4282665 | [C][C@@H1][C][O][C][C@H1][C][O][C][=C][Branch2][Ring2][Ring1][N][=C][Branch1][N][N][Branch1][C][C][C][=C][C][=N][NH1][Ring1][Branch1][N][=C][Ring1][=N][C][Branch1][C][C][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][N][Ring2][Ring1][Branch2][Ring2][Ring1][N] |
CHEMBL4282666 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][=N][Ring1][=C][C][=C][Ring2][Ring1][Ring2][O][C] |
CHEMBL4282667 | [O][=C][Branch1][C][O][C][=C][C][=N][C][Branch2][Ring1][=Branch1][C][=C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][Ring1][=N][=C][Ring2][Ring1][Ring1] |
CHEMBL4282668 | [C][C][O][/N][=C][\C][=Branch1][C][=O][N][Branch2][Ring2][S][C][C][C][N][C][C][N][Branch2][Ring1][P][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][=N][C][C][C][Ring1][Ring1][C][C][Ring2][Ring1][Branch2][C][=C][C][=C][Branch1][C... |
CHEMBL4282741 | [F][C][Branch1][C][F][C][C][C][Branch2][Branch1][=Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][N][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ri... |
CHEMBL4282742 | [C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][=C][Ring1][#C].[Cl] |
CHEMBL4282743 | [C][C@@H1][C@H1][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring1][C][C][C][C@@][Ring2][Ring1][=Branch1][Branch1][C][C][C@][Ring2][Ring1][O][Branch1][C][C][C][C][C@@][Ring2][Ring1][S][Branch1][... |
CHEMBL4282744 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][N][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4282745 | [C][=C][C][=Branch1][C][=O][N][C@@H1][C][C][N][Branch2][Ring1][Ring1][C][=N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch1][C][N][=N][Ring1][#Branch2][C][Ring1][#C] |
CHEMBL4282746 | [C][O][C][=C][C][Branch2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][C][=C][Ring1][P][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C@H1][C][=C][C][=Branch1][S][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][N][Ring1][N][C][O][C][=C][Branch1][R... |
CHEMBL4282826 | [N][C][O][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][C][=C][Ring1][=N][C][=Ring1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL4282827 | [C][=C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][P][C@H1][Branch2][Ring1][Branch2][O][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C@H1][Branch1][C][O][C][Branch1][C][C][C][C][Branch1]... |
CHEMBL4282828 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2][O] |
CHEMBL4282829 | [C][C][=C][N][Branch2][Ring2][S][C][=C][C][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][N][Branch2][Ring1][#Branch2][C][C][C][C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Ring1][=C][C][Ring2][Ring1][#Branch1][=O][C][=N][Ring2][Ring1][S] |
CHEMBL4282830 | [O][=C][Branch1][O][C][C][P][=Branch1][C][=O][Branch1][C][O][O][N][C][C@@H1][Branch1][#C][O][C][C@@H1][Branch1][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][O][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C][Ring2][Ring1][#Branch1] |
CHEMBL4282907 | [C][O][C][=C][C][=C][C][=C][Branch2][Ring1][N][C][Branch1][C][C][C][=N][NH1][C][=Branch1][C][=S][N][Ring1][=Branch1][/N][=C][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O] |
CHEMBL4282908 | [C][C][C][N][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][C][C][N][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][S][C][=Ring1][S][C][Ring2][Ring1][Ring2] |
CHEMBL4282909 | [C][C][C][C][N][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2] |
CHEMBL4282910 | [O][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch2][Ring2][P][O][C][C][C][C][=C][N][Branch2][Ring2][C][C][C][O][C][C][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N][=C][Ring1][P][N][=N][Ring2][Ring1][N][=C][... |
CHEMBL4282911 | [C][C][C][C][C][=N][C][Branch2][Ring1][=Branch2][C][O][C][=C][C][=C][Branch1][=N][C][C][S][C][=Branch1][C][=O][N-1][C][Ring1][=Branch1][=O][C][=C][Ring1][=C][=C][N][Ring2][Ring1][Branch1][C][C][=C][C][=C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][Ring1][#C].[K+1].[K+1] |
CHEMBL4282912 | [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][C][C][C][Ring1][Ring1][C][=C][Branch1][C][C][C@@H1][Branch2][Ring1][P][O][C][=Branch1][C][=O][C@H1][Branch1][C][O][C@H1][Branch1][#Branch1][C][=C][Branch1][... |
CHEMBL4283006 | [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][C][C][C][Branch1][=C][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][#C][C][=C][Ring2][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
CHEMBL4283007 | [C][C][C][Branch1][C][C][N][N][=C][N][Branch2][#Branch1][C][C][=C][C][=C][Branch2][=Branch1][=Branch1][N][C][C][N][Branch2][Branch1][#Branch2][C][=C][C][=C][Branch2][Ring2][=C][O][C][C@@H1][C][O][C@@][Branch2][Ring1][Ring1][C][N][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][Bran... |
CHEMBL4283008 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] |
CHEMBL4283009 | [C][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][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C@@H1][Branch1][C][C][C][C][N][C][=Bra... |
CHEMBL4283010 | [C][C][Branch1][C][C][O][C@H1][O][C@H1][Branch2][Ring1][S][C@@H1][Branch1][Ring2][C][C][O][N][C][=N][C][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][N][=C][Ring1][=C][Ring1][P][C@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring2][Ring2][C][O][Ring2][Ring2][=Branch1] |
CHEMBL4283011 | [O][=C][Branch1][S][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][N][C][=N][C][=N][NH1][Ring1][Branch1] |
CHEMBL4283012 | [C][C][=C][C][=C][Branch2][Branch1][Branch1][C][=N][N][=C][Branch2][Ring2][=Branch2][C][S][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Branch2][S][C][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][Ring1][N][N][=N][Ring2][Ring1][=Branch1][N][Ring2][Ring1][=N][N][C][=C][Ring2][Ring2... |
CHEMBL4283103 | [N][C][=N][C][=C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][C][=C][Ring1][=N][C][NH1][C][Branch1][#Branch2][C][N][C][C][C][C][Ring1][Branch1][=O][=N][C][Ring2][Ring1][O][=Ring1][N] |
CHEMBL4283104 | [C][C][=C][C][Branch2][Ring1][P][N][C][=C][C][=N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][P][Ring1][=N][=N][NH1][Ring2][Ring1][#Branch1] |
CHEMBL4283105 | [O][=C][Branch1][Ring1][N][O][C][=C][C][=C][Branch2][Ring1][=N][C][N][C][=C][Branch1][=C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][C][S+1][Branch1][C][O-1][C][C][Ring1][=C][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4283106 | [C][C][Branch1][C][C][N][C][S][C][=Branch1][C][=S][N][Branch1][=N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C] |
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