chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4278011 | [C][C][C][O][C][=N][C][Branch2][Ring2][S][N][C][C@H1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=N][N][C@@][Ring1][=Branch2][Branch2][Ring1][=Branch1][C][=C][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][=C][S][Ring1][=N][C][Ring2][Ring1][=Branch2][=N][C][=C][Ring2][Ring1][#C][F] |
CHEMBL4278012 | [C][O][C][=C][C][=C][Branch2][=Branch2][Ring2][C][=Branch1][C][=O][C][=C][N][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][Branch2][#Branch1][C][O][C][C][=Branch1][C][=O][N][C][C][O][C][C][O][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][/C][=C][/C][=N+1][C][=Branch2][Ring1][=Branch2][=C][C][=C][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][Ring1][#Branch2][B-1][Ring1][=C][Branch1][C][F][F][C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][O][C][=C][Ring2][=Branch1][=Branch1][Ring2][Branch1][O][C][=C][Ring2][=Branch1][=C] |
CHEMBL4278013 | [O][=C][C][=C][C][=C][Branch2][Branch1][#Branch2][O][C][C][C][C][C][=C][N][Branch2][Ring2][#Branch2][C][C][O][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][S][C][=C][Ring2][Ring2][O] |
CHEMBL4278014 | [C][O][C][=C][C][Branch2][=Branch1][N][C][N][C][C][N][Branch2][Branch1][#C][C][=Branch1][C][=O][O][C@H1][C][C][C@][Branch1][C][C][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch2][Ring1][#Branch2][C][C@@H1][O][C@][Branch1][O][C][C][C@H1][Branch1][C][C][C][O][Ring1][#Branch1][C@@H1][Branch1][C][C][C@@H1][Ring1][N][Ring1][S][C@@H1][Ring2][Ring1][Ring2][C][C][C@@H1][Ring2][Ring1][=Branch2][C][Ring2][Ring1][=N][C][C][Ring2][Ring2][=Branch1][=C][C][=C][Ring2][Ring2][=N][O] |
CHEMBL4278015 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][Branch2][Ring2][=N][O][C][=C][C][=N][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][C][C@H1][Branch1][C][C][N][C@H1][Branch1][C][C][C][Ring1][Branch2][C][=C][Ring1][=C][O][C][=C][Ring2][Ring1][=Branch2][=C][C][=C][Ring2][Ring2][Ring2][Ring2][Ring1][S] |
CHEMBL4278016 | [N][C][=Branch1][C][=O][C][N][=C][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][NH1][N][=N][Ring1][Branch1][N][=N][C][=Ring1][S][Ring1][=N] |
CHEMBL4278017 | [C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Branch1][C][O][C][=C][Ring1][=Branch2][O][C][=C][C][=Branch1][C][=O][/C][=Branch2][Ring1][=Branch1][=C][Branch1][C][/C][N][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C][=Branch1][C][=O][C@@][Ring2][Ring1][Branch1][Ring2][Ring1][Branch2][C] |
CHEMBL4278018 | [C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][O][C@@H1][C][C][Branch1][C][C][Branch1][C][C][C][C@H1][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Ring1][N][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring1][N][C][C][C@@][Ring2][Ring1][S][Branch1][C][C][C@][Ring2][Ring2][Branch1][Branch1][C][C][C][C][C@][Ring2][Ring2][#Branch2][Ring2][Ring2][S][C][=Branch1][C][=O][O] |
CHEMBL4278101 | [N][C][=N][C][O][C][=C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][C][=Ring1][=C][C][=C][Ring2][Ring1][C][C][=Branch1][C][=O][O] |
CHEMBL4278102 | [O][=C][Branch2][Ring1][C][C][N][NH1][C][=C][C][=Branch1][C][=O][N][=C][N][=C][Ring1][#Branch2][Ring1][#Branch1][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][#Branch2] |
CHEMBL4278103 | [C][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][=N][Ring1][=C] |
CHEMBL4278104 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Ring2][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Ring2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4278191 | [O][=C][Branch2][Branch1][#Branch1][N][C][C][O][C][C][O][C][C][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][O][C][C][O][C][C][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4278192 | [C][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=N][C][Branch1][Ring1][O][C][=N][C][Branch2][Ring1][Ring2][N+1][C][C][N+1][Branch1][Ring2][C][C][Cl][Branch1][Branch1][C][C][Ring1][=Branch2][C][C][Ring1][O][=N][Ring2][Ring1][Ring1] |
CHEMBL4278193 | [C][O][C][=C][C][=C][Branch2][Ring1][P][C@@H1][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Ring2][Ring1][Branch2][O] |
CHEMBL4278194 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][O][O][C] |
CHEMBL4278195 | [O][=C][Branch2][Ring1][C][N][C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4278283 | [C][C][Branch1][C][C][C][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=C][C][=C][Branch2][Ring1][Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][N][C][Ring1][S][=O][C][=Branch1][C][=O][C][Branch1][C][O][=C][Ring2][Ring1][Ring2] |
CHEMBL4278284 | [C][=C][C][=C][Branch1][=C][C][=C][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][Branch1][O][O][C][C][N][C][=C][N][=C][Ring1][Branch1][=C][Ring2][Ring1][#Branch1] |
CHEMBL4278285 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][=C] |
CHEMBL4278286 | [C][C][C][O][C][=Branch1][C][=O][/C][Branch1][Ring1][C][#N][=C][\S][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
CHEMBL4278287 | [C][O][C][=C][C][=C][N][=C][C][=Branch2][Branch1][=Branch1][=C][Branch2][Ring2][#Branch2][N][C][C][C][N][C][=Branch1][C][=O][C][S][C][Branch2][Ring1][Branch1][C][=C][C][=N][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][Ring1][N][=N][C][=Ring1][P][O][C][C][Ring2][Ring1][S][=C][Ring2][Ring2][Ring2][C][C][C][C][Ring2][Ring2][Ring1] |
CHEMBL4278288 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O] |
CHEMBL4278379 | [C][O][C][=C][C][=C][C][=C][Branch2][Ring1][Branch1][C][Branch1][C][C][C][=N][N][=C][N][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][Ring1][#Branch1][C][=C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4278380 | [C][#C][C@@][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][O][C@@H1][Branch2][Ring1][Branch2][N][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][N][=C][Ring1][N][Ring1][#C][C@@H1][Ring2][Ring1][#Branch1][O] |
CHEMBL4278381 | [C][C][C][C][N][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N] |
CHEMBL4278382 | [O][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch2][Branch1][=Branch2][O][C][C][C][C][=C][N][Branch2][Ring2][#Branch2][C][C][O][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][S][=C][C][=C][Ring2][Branch1][Ring2][Ring2][Ring2][#Branch2] |
CHEMBL4278383 | [C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][C][C@@][Branch1][C][O][C@@][Branch1][C][C][Branch1][C][O][C][C][C][C@][Ring1][=Branch2][Branch1][C][C][C][C@@H1][Ring1][=C][O][C][Branch1][C][C][=O] |
CHEMBL4278456 | [C][=C][C][O][C][=C][C][Branch1][Branch1][O][C][C][=C][=C][C][=C][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][#C] |
CHEMBL4278457 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][C][N][O][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][N][Ring1][Branch2][=C][Ring2][Ring1][Ring1] |
CHEMBL4278458 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][S][N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][=N][C][=N][Ring1][P] |
CHEMBL4278459 | [C][C][C][Branch1][C][C][N][N][=C][N][Branch2][=Branch1][O][C][=C][C][=C][Branch2][Branch1][#C][N][C][C][N][Branch2][Branch1][Ring1][C][=C][C][=C][Branch2][Ring2][#Branch1][O][C][C@@H1][C][O][C@@][Branch1][=N][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][O][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][=N][C][C][Ring2][Ring2][Ring1][C][=C][Ring2][Ring2][=Branch2][C][Ring2][Ring2][=C][=O] |
CHEMBL4278460 | [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][=Branch1][C][=O][C][=C][C][=C][C][C][C][C][Ring1][Branch1][=C][C][=C][Branch1][P][S][C@][Ring1][Branch1][Branch1][C][C][C@@][Ring1][=N][Branch1][C][C][S][Ring1][P][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][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][=Branch1][C][=O][C@@H1][Ring2][#Branch1][=Branch2][C][C][Branch1][C][C][C] |
CHEMBL4278461 | [C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][N][=C][Ring1][=N][Ring1][Branch1] |
CHEMBL4278462 | [C][O][C][=C][C][=C][Branch1][P][C][S][C][=Branch1][C][=S][N][C][C][C][C][S+1][Branch1][C][C][O-1][C][=C][Ring2][Ring1][C] |
CHEMBL4278546 | [C][C][N][C][=N][C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][C][C][=Ring1][S][C][=C][Ring2][Ring1][Ring2][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=N] |
CHEMBL4278547 | [C][N][C][=N][C][Branch2][Ring1][#Branch1][O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F][=N][C][Branch1][S][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=N][Ring2][Ring1][=N] |
CHEMBL4278548 | [C][C][C][C][C][C][C][C][C][C][C][C][=C][Branch1][C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][=N][O][C][Branch1][C][N][=C][Branch1][Ring1][C][#N][C][Ring1][=Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Ring2][Ring1][Branch2][=O] |
CHEMBL4278549 | [C][N][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][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] |
CHEMBL4278551 | [O][=C][N][C][=Branch1][C][=O][C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=C][Ring1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2] |
CHEMBL4278628 | [F][C][=C][C][=C][Branch2][Ring1][Branch2][C][=N][O][C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring1][F] |
CHEMBL4278629 | [C][N][Branch1][C][C][C][C][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][O][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=O][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4278630 | [F][C][Branch1][C][F][C][=C][S][C][Branch2][Ring2][Branch2][C][=N][C][Branch1][=C][N][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][=N][C][Branch1][=C][N][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2][=N][Ring2][Ring1][=Branch2] |
CHEMBL4278631 | [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@@H1][Branch1][=Branch2][S][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][O][C][Ring1][Branch1][=O] |
CHEMBL4278632 | [O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][Ring1][=Branch2][=C][\C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl] |
CHEMBL4278718 | [C][C][C][C][N][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][S][C][=N][Ring1][Branch1][C][C][Ring1][=N] |
CHEMBL4278719 | [C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring2][C][S][C][C][=Branch1][C][=O][N][C] |
CHEMBL4278720 | [C][O][C][=C][C][=C][Branch1][Ring1][O][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][Branch1][C][C][C][C][C@][Ring1][#C][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][#C][Branch1][C][C][C][=C][Ring2][Ring2][=C] |
CHEMBL4278721 | [O][=C][Branch2][Ring2][C][N][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][C][N][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][C] |
CHEMBL4278722 | [C][C][=C][N][Branch2][Branch1][=Branch2][C][=C][C][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][N][Branch2][Ring2][Ring1][C@@H1][Branch1][C][C][C][=C][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Ring1][S][C][Ring2][Ring1][#Branch2][=O][C][=N][Ring2][Ring2][Ring1] |
CHEMBL4278723 | [C][C][Branch1][C][C][=C][C][C][/C][Branch1][C][C][=C][/C][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][Branch1][Ring1][C][=O][=C][Ring1][#Branch2][O] |
CHEMBL4278724 | [C][C][O][N][C][=Branch1][C][=O][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O] |
CHEMBL4278725 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring1][S][C][C][Branch1][C][O][C][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][#C][C][C][C][Ring1][Ring1] |
CHEMBL4278808 | [O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=N][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][Ring1][=N][C][C][C][C][Ring1][=Branch1][C][Branch1][C][F][=C][Ring2][Ring1][Branch2] |
CHEMBL4278809 | [C][O][C][=C][C][=C][C][Branch2][=Branch1][Ring2][C][O][C][=C][Branch2][Ring2][#C][C][=C][C][=C][Branch2][Ring2][Ring1][O][C][C][O][C][C][N][C][=C][Branch2][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch1][Ring1][C][=O][C][=C][Ring1][Branch2][N][=N][Ring2][Ring1][C][C][=C][Ring2][Ring1][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring2][Branch2][=O][=C][Ring2][Ring2][P] |
CHEMBL4278810 | [C][O][C][=Branch1][C][=O][C][C@H1][Branch1][C][O][C][C@@H1][Branch1][C][O][C][C@H1][Branch1][C][O][/C][=C][/C][=C][/C][C][C][C@@H1][Branch1][C][C][O] |
CHEMBL4278811 | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][Branch2][S][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][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][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][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][C][Branch3][Ring1][C][N][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][N][=O][N][C][=Branch1][C][=O][C][C][Branch1][=Branch1][C][C][C][C][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][#Branch1][C][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][C][Branch2][O][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][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][#Branch1][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][Branch2][Branch1][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][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][C][N][C][C][=C][N][=C][NH1][Ring1][Branch1][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O][C][Branch1][C][C][O][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C] |
CHEMBL4278812 | [C][C][=C][C][=C][C][Branch2][Ring2][Ring1][C][=N][N][C][=Branch1][#C][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][S][=C][Ring2][Ring1][Branch2][C][#N] |
CHEMBL4278886 | [N][C][=C][C][=C][Branch2][Branch1][=Branch1][C][=C][C][=C][Branch2][Ring2][Ring2][N][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][Branch1][C][Cl][=C][Ring2][Ring1][C][N][=C][N][=C][Ring2][Ring1][=Branch2][S][Ring2][Ring1][N][C][=C][Ring2][Ring2][C] |
CHEMBL4278887 | [C][C][Branch1][C][O][Branch2][Ring1][=Branch1][C][N][C][C][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#C] |
CHEMBL4278888 | [O][=C][C][=C][C][=C][C][=C][Branch1][Branch1][O][C][C][Br][C][=C][Ring1][#Branch2][O][Ring1][=C] |
CHEMBL4278889 | [C][O][C][=C][C][=C][Branch1][Branch2][/C][=C][\N+1][=Branch1][C][=O][O-1][C][=C][Ring1][O] |
CHEMBL4278970 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][C][=C][S][/C][=Branch2][Ring1][=Branch1][=N][/N][=C][/C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][Ring2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=C] |
CHEMBL4278971 | [N][C][=N][C][O][C][=C][C][=C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][=N][C][=Branch1][C][=O][C][=Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CHEMBL4278972 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=N][Se][N][=C][Ring1][Branch1][C][=Ring1][=Branch2] |
CHEMBL4278973 | [C][O][C][C][N][C][=C][C][Branch2][Ring1][Ring2][C][=C][S][C][Branch1][O][N][C][C][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][=N][=C][Branch1][C][Cl][C][=N][Ring2][Ring1][Ring2] |
CHEMBL4279054 | [C][C][C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch1][C][N][N][=C][Ring1][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] |
CHEMBL4279055 | [C][=C][C][C][C][C][C][C][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][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring2][C][C][=C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][C][C] |
CHEMBL4279056 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][Branch1][#Branch1][N][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring2][Ring1][=Branch1] |
CHEMBL4279057 | [C][=C][=C][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][N][N][C][=N][C][=C][C][Branch1][P][C][=C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][Ring1][S][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][=Branch2][N][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][Ring1][Branch2] |
CHEMBL4279058 | [Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C@][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][O][C][C@@H1][Branch2][Ring1][Branch1][O][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][O][Ring2][Ring1][#Branch2] |
CHEMBL4279059 | [C][/C][=Branch1][=N][=C][/C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1] |
CHEMBL4279141 | [O][=C][Branch1][S][N][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4279142 | [O][=C][Branch2][Ring1][#C][N][C][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring1][P][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O] |
CHEMBL4279143 | [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][O][Ring2][Ring1][O] |
CHEMBL4279144 | [C][C][C][C][C][=C][C][Branch1][O][O][C][C][C][C][O][C][C][Ring1][=Branch1][=C][Branch1][Ring1][O][C][C][=C][Ring1][S][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][#Branch2][Ring2][Ring1][N] |
CHEMBL4279224 | [O][=C][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][O] |
CHEMBL4279225 | [C][C][Branch2][Ring2][=Branch1][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][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][C][C][Ring2][Ring1][O] |
CHEMBL4279226 | [C][O][C][=C][C][=C][Branch2][Branch1][Branch2][N][C][=C][Branch2][Ring2][=N][C][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][N][=N][Ring2][Ring1][P][C][=C][Ring2][Ring2][#Branch1] |
CHEMBL4279227 | [C][=C][=C][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][=Branch2][N][C][=N][C][=C][C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=N][Ring1][#C][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][Branch2][N][Branch1][C][C][C][C][N][Branch1][C][C][C] |
CHEMBL4279228 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][Ring2][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][N][Ring2][Ring1][Ring1][Ring1][=Branch2][C][C][Ring2][Ring1][#Branch2] |
CHEMBL4279229 | [C][O][C][=C][C][=C][Branch2][Ring2][S][C][N][C][=C][Branch2][Ring1][=C][/C][=C][\C][C][C@@H1][C@H1][C][C][C][N][C][C][C][C@H1][Branch1][=Branch2][C][N][Ring1][N][C][Ring1][S][=O][C@@H1][Ring1][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][N][C][=C][Ring2][Ring2][Ring1] |
CHEMBL4279230 | [C][N][C][C][C][S][C][Branch2][Ring1][Branch1][C][=N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][Ring1][=Branch2][NH1][Ring1][N][=C][C][=Ring1][P][C][Ring2][Ring1][Branch1] |
CHEMBL4279318 | [O][=C][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring2][Ring1][C] |
CHEMBL4279319 | [C][S][C][=Branch1][C][=S][C][C][Branch1][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][O] |
CHEMBL4279320 | [O][=C][Branch2][Ring1][Branch2][N][C][C][N][Branch1][=C][C][=N][C][=N][C][NH1][N][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][N][C][C][Ring1][=N] |
CHEMBL4279321 | [C][O][C][=C][C][=C][Branch2][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][Branch1][O][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][Branch2][Ring1][=Branch1][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][S][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][O] |
CHEMBL4279322 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2] |
CHEMBL4279407 | [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][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL4279408 | [C][C][Branch1][C][C][C][C@H1][Branch2][=Branch1][Ring1][N][C][=Branch1][C][=O][C@H1][C][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][C][C][C@H1][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][Ring2][Ring2][=Branch1][C][=Branch1][C][=O][O] |
CHEMBL4279409 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=N][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1] |
CHEMBL4279410 | [C][=C][C][=Branch1][C][=O][O][C@H1][C@H1][Ring1][=Branch1][C][C][/C][Branch2][Ring1][=Branch2][C][N][C][=C][Branch1][#C][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][=N][Ring1][#C][=C][\C][C][C@@][Branch1][C][C][O][C@@H1][Ring2][Ring1][N][Ring1][Ring2] |
CHEMBL4279411 | [C][=C][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][C][C][=Branch2][Ring1][#C][=C][C][C][C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][O][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][Ring1][=C][=O][C][Ring2][Ring1][=Branch1][=O] |
CHEMBL4279412 | [C][N][C][=Branch1][C][=O][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][=N][C][Branch1][O][N][C][C][Branch1][C][F][Branch1][C][F][F][=C][Branch2][Ring2][Ring1][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=N][O][C][Branch1][C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][C][C][=C][Ring2][Ring2][Branch2][Ring2][Ring1][=C] |
CHEMBL4279413 | [C][C][=C][C][=C][Branch1][C][O][C][Branch2][=Branch1][Branch1][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch2][Branch1][Ring1][O][C][C][C][C][C][=C][N][Branch2][Ring2][Ring1][C][C][O][C][C][O][C][=C][C][=C][Branch2][Ring1][C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring1][P][N][=N][Ring2][Ring1][N][C][=C][Ring2][Ring2][#Branch1][=C][Ring2][Branch1][C] |
CHEMBL4279492 | [N][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][C][Branch1][#C][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][Ring1][S][C][=N][Ring2][Ring1][=Branch1] |
CHEMBL4279493 | [N][=C][Branch1][Ring1][C][Cl][N][C][C][C][C][=N][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][S][Ring1][#Branch1] |
CHEMBL4279494 | [N][C][=N][O][N][=C][Ring1][Branch1][C][=Branch1][C][=O][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] |
CHEMBL4279495 | [C][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][Ring2][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][=C][Ring2][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][/C][=C][/C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][C] |
CHEMBL4279496 | [C][C][Branch2][Branch1][O][C][#C][C][=C][N][=C][C][Branch2][Ring2][=N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C@@][Branch1][#Branch2][C][O][C][Branch1][C][N][=N][Ring1][=Branch1][C][=C][C][Branch1][=Branch2][C][=C][C][O][C][C][Ring1][=Branch1][=N][C][=C][Ring1][N][O][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][#C][C][O][C][Ring2][Ring2][Branch1] |
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