chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4278941 | [C][C][C][=Branch1][C][=O][N][C][C][C][O][C@@H1][C@@H1][Branch1][C][C][N][Branch1][C][C][C][C@H1][Branch1][C][C][C][C@@][Branch1][C][C][Branch1][C][O][C@H1][Branch2][Ring1][Branch1][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@@H1][Branch1][C][C][C@H1][Branch2][Ring1][#Branch1][O][C@H1][C][C@@][Branch1][C][C][Branch1][Ring1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][C][O][Ring1][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][Branch1][Ring1][C][C][C@@][Ring2][Ring2][P][Branch1][C][C][O] |
CHEMBL4278942 | [C][=C][Branch1][Ring1][C][O][C@@H1][C][C][C@][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring2][=N][C][C][C@@H1][C@@][Branch1][C][C][Branch1][Ring2][C][C][#N][C@H1][Branch2][Ring1][Ring1][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][O][C][Branch1][C][C][=O][C][C][C@][Ring2][Ring1][Ring2][Ring2][Ring1][=Branch2][C][C@@H1][Ring2][Ring2][Branch1][Ring2][Ring2][C] |
CHEMBL4279015 | [C][=C][C][=Branch1][C][=O][O][C@@H1][C][C@@][Branch1][C][C][C][C][C@@H1][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][C][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][O][C][C][C@][Branch1][Branch1][C][O][Ring1][Ring1][C@@H1][Ring2][Ring1][Branch1][C][C@H1][Ring2][Ring1][=N][Ring2][Ring1][=Branch2] |
CHEMBL4279018 | [C][N][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][S][C][=C][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][O][N][=N][Ring1][P][C][C][C][Branch1][C][C][Branch1][C][C][N][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2] |
CHEMBL4279019 | [C][C][=C][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][=C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4279020 | [C][=C][C][=Branch1][C][=O][O][C@@H1][C][C@@][Branch1][C][C][C][C][C@@H1][Branch1][#C][O][C][=Branch1][C][=O][/C][=C][/C][=Branch1][C][=O][O][C][C][C][=Branch1][C][=C][C@@H1][Ring2][Ring1][C][C][C@H1][Ring2][Ring1][#Branch2][Ring2][Ring1][=Branch1] |
CHEMBL4279107 | [C][C][=C][C][=C][Branch2][Ring2][#C][C][=N][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][/N][=C][/C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][Branch1][C][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C] |
CHEMBL4279108 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] |
CHEMBL4279109 | [C][O][C][=Branch1][C][=O][C][=C][C@H1][Branch2][=Branch1][N][N][C][=C][Branch2][Branch1][P][C][N][C][=Branch1][C][=O][C@][C][C][C@@H1][Branch1][C][C][C@H1][Branch1][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][Ring1][Ring1][Branch1][C][C][C][C][Ring2][Ring1][=C][N][=N][Ring2][Ring2][#Branch1][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C@H1][Branch1][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][O][Ring2][Branch1][#Branch1] |
CHEMBL4279110 | [C][C][O][C][Branch1][N][C@H1][N][C][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch1][O][=C][C][=Ring1][N][C][=Branch1][C][=O][N][C][C][=C][N][Branch2][Branch1][Branch2][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][N][C][=C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][N][C@H1][N][C][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch1][O][O][C][=Ring1][N][C][N][=N][Ring2][Ring1][=Branch1][N][=N][Ring2][Ring2][N] |
CHEMBL4279111 | [C][C][=C][C][=C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][C][Ring1][N][=C][Ring1][S] |
CHEMBL4279112 | [C][C][C][=N][N][Branch1][C][C][C][Branch2][Ring1][N][C][O][/N][=C][/C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring2][Ring1][=Branch2][Cl] |
CHEMBL4279189 | [C][C][C][=C][C][=C][Branch2][Ring1][C][N][C][C][N][Branch1][Branch2][C][=N][N][=C][S][Ring1][Branch1][C][C][Ring1][O][N][=C][N][=C][Ring1][P][S][Ring2][Ring1][Ring2] |
CHEMBL4279190 | [C][O][C][=C][C][=C][Branch2][Ring2][N][C][=Branch1][C][=O][N][C][C@][Branch1][C][C][C][C][C][C@][Branch1][C][C][C][=C][C][Branch1][C][O][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][C][C@H1][Ring1][#C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][=C] |
CHEMBL4279191 | [N][C][=C][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][O][Ring1][#Branch2][N][=N][N][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O] |
CHEMBL4279192 | [C][N][Branch1][C][C][C@H1][C][C][C@H1][Branch2][Ring1][P][N][C][=N][C][=N][C][NH1][C][=C][Branch1][S][C@H1][C][C][C@H1][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][C][Ring2][Ring1][C][=Ring1][=C][C][C][Ring2][Ring1][=Branch2] |
CHEMBL4279279 | [N][C][=Branch1][C][=O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O] |
CHEMBL4279280 | [Cl][C][=C][C][=C][C][Branch2][Branch1][C][N][C][=C][Branch2][Ring2][#Branch1][C][C][C][C][N][C][C][N][Branch2][Ring1][#Branch1][C][=C][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][C][C][Ring1][=N][C][C][Ring2][Ring1][Ring2][N][=N][Ring2][Ring1][=N][=C][C][=N][C][Ring2][Ring2][Ring1][=C][Ring2][Ring2][#Branch1] |
CHEMBL4279281 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][S][C][=Branch1][C][=S][N][C][C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4279282 | [C][C][=N][N][=C][Branch2][Ring2][#Branch2][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][C][C][C][Ring2][Ring1][Ring2][=O][S][Ring2][Ring1][O] |
CHEMBL4279283 | [O][=C][Branch1][C][O][C][=C][C][=N][C][Branch2][Ring1][C][N][N][=C][C][=C][Ring1][Branch1][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] |
CHEMBL4279368 | [C][O][C][=C][C][Branch2][Ring1][#Branch2][C][=C][Branch1][S][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=N][Ring1][=Branch2][N][=C][N][Ring1][=C][C][=C][C][=C][Ring2][Ring1][Branch1][Cl] |
CHEMBL4279369 | [O-1][/N+1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][/C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] |
CHEMBL4279370 | [C][N][C][=Branch1][C][=O][O][C@H1][Branch1][Ring1][C][#N][C@H1][Branch1][O][C][C@@H1][C][C][C][N][C][Ring1][=Branch1][=O][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1] |
CHEMBL4279371 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][Ring2][Ring1][Ring1] |
CHEMBL4279372 | [C][C][=C][C][=C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][C][Branch2][Ring1][#Branch2][C][=C][Branch1][S][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=N][Ring1][=Branch2][N][=C][N][Ring1][=C][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4279373 | [O][=C][S][/C][=Branch2][Ring1][Branch2][=C][\C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring1][=C][C][=Branch1][C][=O][N][Ring2][Ring1][Branch1][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][C][C][C][N][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4279374 | [C][O][C@H1][Branch1][C][C][C@H1][C][=Branch1][C][=O][O][C@H1][Branch1][C][C][C@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][Branch1][Ring1][C][O][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][C][C][C][C][=Branch1][C][=O][N][Ring2][Branch1][=N][C] |
CHEMBL4279375 | [C][C][N][C][=N][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][=N][NH1][C][Ring1][Branch1][=N][Ring1][P] |
CHEMBL4279455 | [C][C][=Branch1][C][=O][O][C@H1][C][=Branch1][C][=O][C@][C][C@H1][Ring1][Ring1][C][C@H1][O][C][C@@][Ring1][Ring2][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Ring1][=N][C@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@][Branch1][C][O][C][C@H1][Branch2][Ring2][Ring1][O][C][=Branch1][C][=O][C@H1][Branch1][C][O][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Branch1][Branch1][C][Ring2][Ring1][N][Branch1][C][C][C] |
CHEMBL4279456 | [C][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][#C][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][C][C][Ring1][=Branch1][C][=C][Ring1][=C] |
CHEMBL4279457 | [C][O][C][=C][C][=C][Branch2][Ring2][S][O][C][=C][C][=C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][P][=O][C][=C][Ring2][Ring1][O][F][C][=C][N][=C][Ring2][Ring2][Ring1][C][=C][Ring2][Ring2][#Branch1][O][C][C][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1] |
CHEMBL4279458 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4279459 | [C][O][C][=C][C][=C][Branch2][Ring2][=N][C][=Branch1][C][=O][/C][=C][/C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][N][=Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][P] |
CHEMBL4279460 | [C][N][Branch2][Ring2][P][C][C][#C][C][=C][C][=N][C][=N][C][Branch2][Ring1][N][N][C][=C][C][=C][Branch1][=C][O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Branch1][C][Cl][=C][Ring1][S][=C][Ring2][Ring1][#Branch1][S][Ring2][Ring1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4279461 | [C][C][C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][/C][Branch1][Ring1][C][#N][=C][/C][=C][C][=C][C][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4279462 | [C][C][C@H1][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][#Branch1][O][C@H1][C][C@@][Branch1][C][C][Branch1][Ring1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][C][O][Ring1][O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][S][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][C][C][N][C][=Branch1][C][=O][C][O][C][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][Branch1][=Branch2][Branch1][C][C][O] |
CHEMBL4279542 | [C][C][=Branch1][C][=O][N][C][C@H1][C][N][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][/C][=N][/N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=C][C][Branch1][C][F][=C][Ring2][Ring1][Branch1][C][=Branch1][C][=O][O][Ring2][Ring1][O] |
CHEMBL4279543 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][/C][=C][/C][N][Branch1][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1].[Cl] |
CHEMBL4279544 | [C][O][C][=C][C][=C][Branch2][Ring2][C][/C][=C][/C][=Branch1][C][=O][/C][=C][/C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][=N] |
CHEMBL4279545 | [O][=C][C][=C][Branch2][=Branch1][C][C][=C][C][=C][Branch2][Branch1][=Branch1][O][C][C][O][C][C][N][C][=C][Branch2][Ring2][Branch1][C][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][Ring1][N][C][=C][Ring2][Ring1][C][N][=N][Ring2][Ring1][O][C][=C][Ring2][Ring2][#Branch1][O][C][=C][C][=C][C][=C][Ring2][Ring2][P][Ring1][=Branch1] |
CHEMBL4279546 | [C][O][C][=C][C][=C][Branch2][Branch1][Ring1][N][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][#C][C][=C][Ring2][Ring2][Ring2] |
CHEMBL4279547 | [C][C][C][C][C@@H1][Branch1][Ring2][C][C][O][N][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N] |
CHEMBL4279631 | [C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][N][Branch1][Ring2][C][C][O][C][S][C][Ring1][=Branch2][=S] |
CHEMBL4279632 | [C][C][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C@H1][O][C@@][Branch1][C][O][Branch2][Branch1][Ring2][C@@H1][Branch1][C][C][C][=Branch1][C][=O][O][C][C@H1][Branch1][C][C][C@H1][C][C][C@][Branch1][C][C][C][C@H1][C@@H1][Branch1][O][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][O][C@@][Branch1][C][C][Branch1][C][O][C][/C][=C][-/Ring2][Ring1][Ring2][Ring1][P][C@H1][Branch1][C][C][C][C@H1][Ring2][Ring2][Ring2][C] |
CHEMBL4279633 | [C][C][Branch1][C][O][C][C][=N][S][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][=N] |
CHEMBL4279634 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=Branch2][Ring1][=Branch2][=N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch2] |
CHEMBL4279635 | [O][=C][Branch1][C][O][C][C][C][N][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O] |
CHEMBL4279636 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][/C][=C][\C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][Ring1][C][=O][=C][N][Ring1][Branch2][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1][O][C] |
CHEMBL4279727 | [N][#C][C][=C][C][=C][C][Branch2][Ring2][P][C][N][C][C][N][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][/C][=C][/C][=C][C][Branch1][C][Cl][=C][C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][=C][Ring1][=N][C][=C][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][O][=C][Ring2][Ring2][C] |
CHEMBL4279728 | [O][=C][Branch2][Ring1][O][C][O][C][=C][C][=C][C][Branch1][#C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1][=O] |
CHEMBL4279729 | [C][=C][C][C][C@H1][C@@][Branch1][C][C][Branch2][Ring1][Branch2][C][C][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@][Ring1][O][Branch1][C][C][C][=Branch1][C][=O][O][C][C@@H1][Ring2][Ring1][Ring2][C][C][C][=C][C][O][C][Ring1][Branch1][=O] |
CHEMBL4279730 | [O][=C][C][=C][Branch2][=Branch1][C][C][=C][C][=C][Branch2][Branch1][=Branch1][O][C][C][C][C][=C][N][Branch2][Ring2][#Branch1][C][C][O][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][Ring1][N][C][=C][Ring2][Ring1][C][N][=N][Ring2][Ring1][=N][C][=C][Ring2][Ring2][#Branch1][O][C][=C][C][=C][C][=C][Ring2][Ring2][P][Ring1][=Branch1] |
CHEMBL4279731 | [C][C][C][C][C][C][C][C][C][=C][C][=C][Branch1][S][C][C][Branch1][C][O][C@H1][C][C@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=C][Ring1][#C].[Cl] |
CHEMBL4279826 | [C][C][#C][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C@H1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][Ring1][O][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4279827 | [O][=C][C][=C][Branch1][C][Cl][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][S][C][Ring1][N] |
CHEMBL4279828 | [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][C][O][C][=C][Branch1][C][C][C@@H1][Branch2][Ring2][=Branch2][O][C][=Branch1][C][=O][C@H1][Branch1][C][O][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][Branch1][Branch1][/C][=C][\C][O][=C][Ring1][#Branch2][C][C@@][Branch1][C][O][Branch2][Ring1][Branch2][C@@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring2][Ring2][S][Ring2][Branch1][#Branch1][C][Ring2][Ring2][O][Branch1][C][C][C] |
CHEMBL4279829 | [C][#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][C][C][C][Ring2][Ring1][Ring2][=O] |
CHEMBL4279830 | [C][C][Branch2][Ring1][#Branch1][C][C][=N][S][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][Ring1][=N][N][C][C][C][Branch1][C][C][Branch1][C][C][N][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2] |
CHEMBL4279831 | [O][=C][Branch1][C][O][C][O][C][=C][C][Branch2][Ring1][#Branch2][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][C][=C][Branch2][Ring1][O][N][C][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][=N][C][=C][N][=C][Ring2][Ring2][#Branch1][Ring2][Ring1][Ring2] |
CHEMBL4279832 | [C][C][=N][C][=C][Branch1][C][F][C][=C][Branch2][Ring2][=Branch1][C][=N][C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][=C][C][C][C][N][Branch1][Ring2][C][C][O][C][C][Ring1][=Branch2][C][=N][Ring1][#C][=N][C][=C][Ring2][Ring1][=Branch1][F][C][=C][Ring2][Ring1][=C][C][Ring2][Ring1][P][C][C][C][C][Ring1][Branch1] |
CHEMBL4279833 | [O][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][Cl][Cl] |
CHEMBL4279918 | [C][C][=C][C][Branch2][Ring1][O][O][C][C][C][N][C][C][N][Branch1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][C][Ring1][=C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring2][Ring1][=C] |
CHEMBL4279919 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][=C][Ring2][Ring1][=C] |
CHEMBL4279920 | [C][C][N][C][Branch1][#C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=Branch1][C][=O][O][=C][C][=C][Ring1][=N][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][C][O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][C] |
CHEMBL4279921 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][O][Ring1][N][C][=C][Ring2][Ring1][C] |
CHEMBL4279922 | [C][O][C][=C][C][=C][Branch2][=Branch1][Branch2][N][C][=Branch1][C][=O][O][C@@H1][C][C@H1][Branch2][Branch1][Ring2][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][O][C][N][Branch1][#Branch1][C][C][Branch1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C@@H1][Ring2][Ring2][Ring2][Ring2][Ring2][Branch2][C][=C][Ring2][Ring2][=C] |
CHEMBL4279923 | [Cl][C][=C][C][=C][Branch2][Ring1][P][C][N][=C][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][N][Ring1][N][C][=Ring1][#C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL4279995 | [O][=P][Branch1][C][O][Branch1][C][O][C][Branch1][C][O][Branch2][Ring1][C][C][C][N][C][=N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][P][=Branch1][C][=O][Branch1][C][O][O] |
CHEMBL4279996 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][N][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=C][N][=C][Branch1][Ring1][S][C][N][=C][Ring1][Branch2][C][C][Ring1][=N][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4279997 | [N][#C][C][=C][Branch1][C][N][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][=C][C][=C][Branch1][Branch2][N][C][=Branch1][C][=O][C][N][C][=C][Ring1][O][C][=C][Ring2][Ring1][#Branch2][Ring2][Ring1][C] |
CHEMBL4279998 | [O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][Ring1][=Branch2][=N][/N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CHEMBL4279999 | [C][C][C@@][Branch1][C][O][C][C@H1][Branch2][=Branch1][Ring1][O][C@H1][C][C@H1][Branch1][P][N+1][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch2][Ring1][P][O][C@H1][C][C@H1][Branch1][C][O][C@H1][Branch1][S][O][C@H1][C][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][O][Ring1][Branch2][C@H1][Branch1][C][C][O][Ring1][P][C@H1][Branch1][C][C][O][Ring2][Ring2][Ring1][C][=C][Branch2][Ring1][=N][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][Ring1][=C][=O][C@H1][Ring2][Branch1][O][C][=Branch1][C][=O][O][C] |
CHEMBL4280077 | [C][=C][Branch2][Ring2][=Branch2][C][N][N][=N][C][Branch2][Ring1][=N][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][=N][Ring2][Ring1][Ring1][C][=Branch1][C][=O][O][C][Branch1][C][C][C] |
CHEMBL4280078 | [C][C][C][C][N][Branch1][Branch1][C][C][C][C][C][C][=Branch1][C][=O][O][C@@H1][C][C@@H1][C][C][C@@][Ring1][=Branch1][Branch1][C][C][C][Ring1][=Branch1][Branch1][C][C][C] |
CHEMBL4280079 | [C][C][=C][C][Branch2][Ring2][Ring1][C][=N][C][=C][C][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Branch1][C][N][O][C][Ring2][Ring1][Ring1][=Ring1][#C][=C][C][Branch1][C][C][=N][Ring2][Ring1][#Branch2] |
CHEMBL4280080 | [C][O][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][=N][C][C@H1][C][=Branch1][C][=O][O][C][C@@H1][Ring1][=Branch1][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch2][O][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] |
CHEMBL4280081 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][O][C][O][Ring1][#C] |
CHEMBL4280082 | [C][=C][C][=Branch1][C][=O][O][C@H1][C@H1][Ring1][=Branch1][C][C][/C][Branch2][Ring1][O][C][N][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][=N][Ring1][#C][=C][\C][C][C@@][Branch1][C][C][O][C@@H1][Ring2][Ring1][N][Ring1][Ring2] |
CHEMBL4280159 | [C][C][C@H1][Branch2][Ring2][S][N][C][=N][C][Branch1][#C][N][C@@H1][Branch1][Ring1][C][C][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch2][Ring1][Ring1][C][=C][N][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ring2][Ring1][Branch2][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4280160 | [O][=N+1][Branch1][C][O-1][C][=C][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][C][Branch1][C][Cl][=C][N][Ring2][Ring1][O][Ring1][=C] |
CHEMBL4280161 | [C][S][C][=N][N][=C][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][S][Ring1][=N] |
CHEMBL4280162 | [C][C][C][C][O][C@@H1][C@@H1][Branch1][Ring1][C][O][O][C@H1][Branch2][Ring2][=Branch2][O][C@H1][C@H1][Branch1][C][N][C][C@H1][Branch1][C][N][C@@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@H1][Branch1][Ring1][C][N][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@@H1][Ring2][Ring1][Ring2][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][#C][N] |
CHEMBL4280163 | [O][=C][Branch2][Ring2][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][C][Ring1][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][C][=C][S][Ring1][Branch1] |
CHEMBL4280247 | [O][=C][Branch2][Ring1][=N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=N][S][Ring1][Branch1][C][Branch1][C][F][=C][Ring1][S][N][C][C][C][Branch2][Ring1][Ring1][C][=C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][C][C][Ring1][S] |
CHEMBL4280248 | [C][N][Branch2][Branch1][Branch2][C][C][=C][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=C][Branch2][Ring1][Branch2][C][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][N][=C][Ring1][=Branch1][C][C][Ring1][=C][N][Ring2][Ring1][N][C][=Ring2][Ring1][S][S][Branch1][C][C][=Branch1][C][=O][=O] |
CHEMBL4280249 | [C][C][C][C][C][=C][C][Branch1][#Branch2][O][C][C][N][C][Branch1][C][C][=O][=C][Branch1][Ring1][O][C][C][=C][Ring1][#C][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][#Branch2][Ring2][Ring1][O] |
CHEMBL4280250 | [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][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][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][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][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][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][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][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][C][C][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][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][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][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][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][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch2][#Branch1][#Branch2][C][C][=Branch1][C][=O][N][C@H1][Branch2][=Branch1][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][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][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][O][C][Branch1][C][C][C] |
CHEMBL4280251 | [N][C][=N][C][O][C][=C][C][Branch1][C][F][=C][Branch1][#Branch2][/C][=C][/C][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C][C][=Branch1][C][=O][C][=Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][O] |
CHEMBL4280252 | [C][C][Branch1][C][F][Branch1][C][F][C][=C][C][Branch2][Ring2][P][N][C][=N][C][Branch1][S][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][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][Ring2][Ring1][=Branch2][=C][C][=N][Ring2][Ring1][S] |
CHEMBL4280343 | [O][=C][Branch2][Ring1][Branch2][N][C][C][N][Branch1][=C][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][N][C][C][Ring1][=N] |
CHEMBL4280344 | [O][=C][Branch1][#C][/C][=C][/C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
CHEMBL4280345 | [C][C@@H1][Branch2][Ring2][N][N][C][=N][C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ring2][Ring1][Branch2][C][C][C][Ring1][Ring1] |
CHEMBL4280346 | [C][C][=C][C][=N][C][=C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][Ring1][=N][C][Branch1][C][C][=C][Ring2][Ring1][C][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=N] |
CHEMBL4280420 | [C][C][=C][C][O][C][=Branch1][C][=O][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][=C][C][Branch1][C][C][=C][Ring2][Ring1][Ring1][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=N] |
CHEMBL4280421 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][C][N][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][#Branch1].[Cl] |
CHEMBL4280422 | [C][C@H1][Branch1][C][N][C@H1][O][C@H1][Branch2][Ring2][#Branch2][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C][C@H1][Branch1][C][N][C@H1][Ring1][=Branch2][O][C@H1][O][C@@H1][Branch1][=Branch1][C][Branch1][C][N][=O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][O][N][C@H1][Branch1][C][O][C@@H1][Ring2][Ring1][=N][O].[O][=S][=Branch1][C][=O][Branch1][C][O][O] |
CHEMBL4280423 | [C][C][C][Branch1][C][C][C][Branch1][C][C][=N][C][=C][Branch1][C][F][C][=C][Branch2][Ring1][P][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][=N][Ring1][N][=N][C][=C][Ring2][Ring1][Ring1][F][C][=C][Ring2][Ring1][O][Ring2][Ring1][S] |
CHEMBL4280424 | [C][O][C][=C][C][Branch2][=Branch1][N][C@@H1][C][=C][C][=C][Branch2][Branch1][=C][C][=C][Ring1][=Branch1][C@@H1][Branch2][Ring2][=Branch2][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][C][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Ring2][C@H1][C][O][C][=Branch1][C][=O][C@@H1][Ring1][=Branch1][Ring2][Ring2][Branch1][O][C][O][Ring2][Ring2][Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][S][O][C] |
CHEMBL4280425 | [C][O][C][=C][C][=C][Branch2][Branch1][S][N][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring2][=C][C][C@H1][O][C@@H1][Branch2][Ring1][=C][N][C][=N][C][=C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][=C][N][=C][Ring1][#C][Ring2][Ring1][C][C@H1][Branch1][C][O][C@@H1][Ring2][Ring1][Branch2][O][C][Branch1][C][C][C][C][=C][Ring2][Ring2][O] |
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