chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4290677 | [C][C][C][=C][C][=C][C][Branch2][Ring2][#C][N][C][=Branch1][C][=O][C][C][C][C][C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Ring1][#Branch2][C][=C][Ring2][Ring1][S] |
CHEMBL4290763 | [C][C][Branch1][C][C][N][C][C][N][Branch2][Ring2][Branch2][C][C][C][N][C][C][C][N][Branch2][Ring1][Branch2][C][=C][C][=C][C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][Ring1][#C][C][C][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][#C] |
CHEMBL4290764 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][N][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring2][Ring1][#Branch1][Ring1][=Branch1] |
CHEMBL4290765 | [C][O][C][=C][C][Branch2][Ring1][#Branch2][C][N][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=C][Ring1][=Branch2][Ring1][=C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1][O][C] |
CHEMBL4290766 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][/C][=C][/S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4290863 | [C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][NH1][C][=C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][N][C][=C][C][=C][Ring2][Ring1][Branch2][Ring2][Ring1][=C] |
CHEMBL4290864 | [C][C][Branch1][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][=C][Branch1][C][O][N][Branch1][S][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=N][Ring1][=Branch2][N][=Ring1][#C] |
CHEMBL4290865 | [C][C][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4290866 | [C][N][C][=Branch1][C][=O][C][=C][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][Ring2][Ring1][Branch1] |
CHEMBL4290954 | [C][C][=N][C][=C][Branch2][Ring2][#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][#Branch1][C][C][C][C][Ring1][Ring1][C][Ring2][Ring1][#Branch1][=O][S][Ring2][Ring1][=C] |
CHEMBL4290955 | [C][C][C][Branch1][Ring1][C][C][O][C@@H1][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C@H1][Ring2][Ring1][Ring2][N][C][Branch1][C][C][=O] |
CHEMBL4290956 | [C][C][C][O][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch2][O] |
CHEMBL4290957 | [C][N][Branch1][=C][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C@@H1][C][N][Branch1][Branch2][C][=Branch1][C][=O][C][C][#N][C][C][Ring1][#Branch2][C][C][Ring1][Ring1] |
CHEMBL4291046 | [C][C][N][Branch1][Ring1][C][C][C][C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][O][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][C][=Branch1][C][=O][C][Ring1][P][=C][Ring2][Ring1][Branch1] |
CHEMBL4291047 | [C][=C][Branch1][C][C][C@@H1][C][C][=C][Branch2][Ring2][#Branch2][C][N][C][=C][Branch2][Ring1][=C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][Branch1][C][C][=O][N][=N][Ring2][Ring1][Branch2][C][C][Ring2][Ring1][#C] |
CHEMBL4291048 | [O][C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][C][N][Branch2][Ring1][=N][C][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring2][Ring1] |
CHEMBL4291049 | [C][C][=Branch1][C][=O][O][C][C@@][Branch1][C][C][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C][C@@][Branch1][C][C][C@H1][Ring1][N][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C@H1][C@][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][/N][=C][/C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Branch1][#C][C][C][C@@H1][Branch1][C][C][C@@][Ring2][Ring1][#Branch1][Branch1][C][C][O][C][C][C@][Ring2][Ring1][=N][Ring2][Ring2][Ring1][C] |
CHEMBL4291050 | [C][O][C][=C][C][Branch2][Ring2][Branch1][C][N][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=N][Ring2][Ring1][Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=C] |
CHEMBL4291134 | [O][=C][C][N][C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][N][=O][N][Ring2][Ring1][Branch2] |
CHEMBL4291135 | [C][C][Branch1][C][C][C][C@H1][Branch2][Branch1][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][P][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][O][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4291136 | [O][/N][=C][/C][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][#Branch2][C][Ring1][#Branch1] |
CHEMBL4291137 | [C][C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch2][#Branch1][Ring1][O][C][=Branch1][C][=O][C@@][Branch1][C][C][C][C][C@][Branch1][C][C][C][C][C@][Branch1][C][C][C][=Branch2][Branch1][C][=C][C][=Branch1][C][=O][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][=C][O][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][Se][C][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring1][C][C][C][C@][Ring2][Ring1][=Branch1][Ring2][Ring1][N][C][C@H1][Ring2][Ring2][C][C][Ring2][Ring2][#Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Branch1][C].[Cl] |
CHEMBL4291138 | [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][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2] |
CHEMBL4291139 | [C][C][=C][C][Branch2][Ring1][=C][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][O][C][=Branch1][C][=O][NH1][Ring1][=Branch2][=C][Ring1][S][=C][C][=C][Ring2][Ring1][=Branch1][F] |
CHEMBL4291227 | [C][O][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][C][=N][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Ring1][N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1][O][C] |
CHEMBL4291228 | [C][C][C][C][N][C][=Branch1][C][=O][C@H1][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C@@H1][Branch1][N][C][=C][C][=C][Branch1][Ring1][C][C][S][Ring1][#Branch1][N][Ring2][Ring1][Ring2][C][Ring2][Ring1][Branch2][=O] |
CHEMBL4291229 | [C][N][N][=C][Branch2][Ring2][Branch1][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring2][Ring1][=C] |
CHEMBL4291230 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch2][Ring1][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][O][C][C][O][C][Ring1][P][=O][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][N] |
CHEMBL4291309 | [C][C][=N][C][=C][N][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][/C][=C][/C][=C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][N][=C][Ring1][#C][C][=C][C][=C][N][=C][Ring1][=Branch1] |
CHEMBL4291310 | [C][C][C][=C][C][=C][Branch2][Ring2][Ring2][C@H1][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C@H1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][Ring2][Ring1][Ring2][O][Ring2][Ring1][=Branch2] |
CHEMBL4291311 | [Cl].[O][=C][Branch2][Ring1][#Branch1][C][C][C][N][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
CHEMBL4291389 | [O][=C][C][C][C][=C][C][Branch2][Ring1][S][C][C][C][C][C][N][C][C][C][Branch1][P][C][=N][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S][=C][C][=C][Ring2][Ring1][O][N][Ring2][Ring1][#C][C][C][Ring1][Branch1] |
CHEMBL4291390 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=N][NH1][C][Branch2][Ring1][Branch1][/C][=C][\C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Ring1][O][=C][Ring1][P][C][Ring2][Ring1][Branch1] |
CHEMBL4291391 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][=N][N][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2][O][C][C][C][N][C][C][C][C][Ring1][Branch1] |
CHEMBL4291392 | [C][O][C][=C][C][Branch2][Ring2][C][/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][O][Ring1][Branch1][=C][Ring1][S][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=N] |
CHEMBL4291393 | [C][N][C][=C][Branch1][P][C][=C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][P][=O] |
CHEMBL4291478 | [O][=C][Branch2][Ring2][Ring1][C][N][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4291479 | [N].[N][C][=N][C][=C][Branch2][Ring2][=Branch2][C][=N][N][Ring1][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][C][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring2][Ring2][=Branch1][Ring1][#Branch2] |
CHEMBL4291480 | [C][O][C][=C][C][=C][C][Branch2][Branch1][C][C][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring1][N][C][=Ring1][#C][C][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#C][=C][Ring2][Ring2][Branch1] |
CHEMBL4291481 | [C][O][C][=C][C][=C][Branch2][Ring2][=N][C][=C][C][Branch2][Ring1][C][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][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] |
CHEMBL4291482 | [C][O][C][=C][C][Branch2][Ring2][Ring2][C][C][C][Branch2][Ring1][=Branch2][C][=C][Branch1][C][C][N+1][Branch1][C][O-1][=C][C][=C][C][Branch1][C][C][=C][C][Ring1][#Branch1][=N+1][Ring1][=N][O-1][=N][N][Ring2][Ring1][Ring1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][O][O][C] |
CHEMBL4291483 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][C][Ring1][#Branch1][C][C][N][Branch2][Ring1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][C][Ring1][P] |
CHEMBL4291484 | [C][C][C][C][C][Branch1][C][C][/C][=C][Branch1][C][C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][#Branch1][/C][=C][/C][=C][/C][=C][/C][=Branch1][C][=O][N][C][=C][Branch1][C][O][C][C][C][Ring1][=Branch1][=O][=C][Branch1][C][O][C][=C][Ring2][Ring1][#Branch1][O] |
CHEMBL4291557 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=Branch1][#C][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=Branch1][C][=O][C][Ring2][Ring1][Ring1] |
CHEMBL4291558 | [O][=S][=Branch1][C][=O][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][C][O][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N] |
CHEMBL4291559 | [C][C][C][C][C][C][C][C][Branch1][C][N][Branch1][Ring2][C][Ring1][#Branch1][C][C][Branch1][Branch2][C][O][N+1][=Branch1][C][=O][O-1][Branch1][Ring2][C][Ring1][=N][C][Ring1][S] |
CHEMBL4291560 | [C][N][C][=C][C][=Branch1][C][=O][N][Branch2][Ring2][C][C][C][Branch1][C][O][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][C][C][=N][Ring2][Ring1][#Branch2] |
CHEMBL4291638 | [O][=C][Branch2][Ring1][Branch2][N][C][=C][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][C][=N][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4291639 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][O][N][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][Branch2][O][C][C][C][C][C][Ring1][Branch1] |
CHEMBL4291640 | [O][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][N][Branch2][Ring2][O][C][C][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring2][Ring1][Branch2][Ring1][N][C][C][Ring2][Ring1][#C] |
CHEMBL4291641 | [C][O][C][=C][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C@@H1][C][C][C][=C][C][=C][Branch1][#C][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][C][C][Ring1][=Branch1][C][=C][Ring1][=C][Ring1][P][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][N][C] |
CHEMBL4291642 | [C][C][=C][C][=C][Branch2][Ring1][O][C][=C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][Ring1][=C][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4291727 | [C][N][C][=C][Branch2][Ring1][=Branch1][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][=N][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][=C][C][=C][Ring1][P][Ring2][Ring1][P] |
CHEMBL4291728 | [O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=N][NH1][C][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][O][=C][Ring2][Ring1][Ring1][O] |
CHEMBL4291729 | [O][=C][Branch2][Ring2][C][C][=C][C][Branch2][Ring1][=Branch1][O][C][=C][C][=C][Branch1][O][/C][=C][/C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=C][=C][C][=N][Ring2][Ring1][Branch1][N][C][C][C][C][Ring1][Branch1] |
CHEMBL4291730 | [N][#C][C][=C][C][=C][Branch2][Ring2][#C][C@H1][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1][N][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][Ring2][Ring1][S] |
CHEMBL4291810 | [C][C][C][C][C][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O][N][C][=Branch1][C][=O][N][C][C@H1][Ring1][=Branch1][C][C][C@H1][Ring1][=Branch1][C][Branch1][C][N][=O] |
CHEMBL4291811 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][#Branch2][Ring2][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][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][#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][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][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][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CHEMBL4291812 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=N][NH1][C][Branch2][Ring1][=Branch2][/C][=C][\C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][Ring1][=N][=C][Ring2][Ring1][Ring1][C][Ring2][Ring1][#Branch1] |
CHEMBL4291813 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][#Branch1][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring2][Ring1][=Branch1][Ring1][N][C][C][Ring2][Ring1][=N] |
CHEMBL4291814 | [C][C][C][=C][N][=C][C][Branch1][C][O][=C][Branch1][C][Br][C][=C][Branch1][C][Br][C][Ring1][=Branch2][=C][Ring1][=N] |
CHEMBL4291815 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][N][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2][O][C][C][C][N][C][C][C][C][Ring1][Branch1] |
CHEMBL4291816 | [C][O][C][C][C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][#Branch2][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][Ring2][Ring1][#Branch1] |
CHEMBL4291892 | [N][#C][/C][=Branch1][S][=C][\C][=C][C][=C][C][=C][C][=N][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] |
CHEMBL4291893 | [C][C][=C][C][=C][Branch2][Ring1][P][/C][=C][\S][/C][=Branch2][Ring1][Branch1][=N][\N][=C][/C][C@H1][C][C][C@][Ring1][=Branch1][Branch1][C][C][C][Ring1][=Branch1][Branch1][C][C][C][N][C][Ring1][P][=O][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4291894 | [C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Branch1] |
CHEMBL4291895 | [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][=C][/C][=Branch1][C][=O][O][C][C@H1][Ring1][=Branch1][O][C][=Branch1][C][=O][C][C][C][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2] |
CHEMBL4291896 | [C][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][F][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O] |
CHEMBL4291897 | [O][=C][Branch2][Branch1][S][/C][=C][/C][=C][C][=C][Branch2][Branch1][C][O][C][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][=C][Ring2][Ring2][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O] |
CHEMBL4291898 | [O][=C][Branch1][C][O][C][=C][C][=N][C][Branch2][Ring1][=C][N][N][=C][Branch2][Ring1][Ring1][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][#Branch2][C][=C][Ring1][#C][O][=C][Ring2][Ring1][=Branch1] |
CHEMBL4291899 | [C][/C][=C][Branch1][C][/C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][N][O][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C@@][Branch1][Ring1][C][O][C@@H1][Branch1][=Branch2][C][C][Ring1][#C][Branch1][C][C][C][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Branch1][=N][O][C@@H1][O][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][O][C@H1][Branch2][Ring2][Branch1][O][C@@H1][O][C][C@H1][Branch1][C][O][C@H1][Branch2][Ring1][Ring2][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C@H1][Ring2][Ring1][C][O][C@H1][Ring2][Ring1][=C][O][C@@][Branch1][C][C][Branch1][Ring1][C][=O][C@@H1][Ring2][Ring2][#Branch2][C][C][C@@][Ring2][Ring2][=C][Branch1][C][C][C@][Ring2][Branch1][Ring1][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][Ring2][Branch1][#C][O] |
CHEMBL4291980 | [C][C@@H1][C][C@H1][Branch1][C][N][C][C@H1][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][C][=C][N][=C][Ring1][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1] |
CHEMBL4291981 | [N][C][=N][C@@][Branch1][Branch1][C][O][Ring1][Branch1][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][C][=C][Ring1][S][O][C][=C][N][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring2][Ring1][O] |
CHEMBL4291982 | [C][N][C][C][C][S][C][Branch2][Ring1][Branch2][C][=N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][NH1][Ring1][=N][=C][C][=Ring2][Ring1][C][C][Ring2][Ring1][=Branch1] |
CHEMBL4291983 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Ring1][Branch2][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][O] |
CHEMBL4291984 | [O][=C][Branch2][Ring2][#C][N][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][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4292069 | [F][C][Branch1][C][F][C][=C][N][=C][C][Branch2][Ring2][#Branch2][C][=N][C][Branch1][#C][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][=N][C][Branch1][#C][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][=N][Ring2][Ring1][=Branch1][=N][Ring2][Ring1][N] |
CHEMBL4292070 | [C][C][C][S][C][=N][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][N][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring1][N][=N][Ring2][Ring1][#Branch1] |
CHEMBL4292071 | [C][C@H1][C@H1][Branch1][C][C][C][C][C@][Branch1][C][C][C][C][C@][Branch1][C][C][C][=Branch2][Branch1][N][=C][C][=Branch1][C][=O][C@@H1][C@@][Branch1][C][C][C][C][C@@H1][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Ring2][Ring1][#Branch1][C][C][C@][Ring2][Ring1][O][Ring2][Ring1][P][C][C@H1][Ring2][Ring2][N][Ring2][Ring2][#Branch1] |
CHEMBL4292072 | [O][=C][Branch1][C][O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring2][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4292148 | [C][N][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring2][Ring1][#Branch2][Ring1][#Branch2] |
CHEMBL4292149 | [C][=C][C][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] |
CHEMBL4292150 | [C][O][C][=C][C][Branch2][Ring1][=Branch1][O][C][C][C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][=C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][Ring2][Ring1][N][C][C][N][C][Branch1][C][C][=O] |
CHEMBL4292151 | [O][/N][=C][Branch2][Ring2][=Branch2][/C][O][/N][=C][Branch1][#C][\C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=N][Ring1][N][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=N][Ring1][N] |
CHEMBL4292152 | [C][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][Branch2][Ring2][#Branch2][C][=N][C][Branch1][#C][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][=N][C][Branch1][#C][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][=N][Ring2][Ring1][=Branch1][=N][Ring2][Ring1][N] |
CHEMBL4292153 | [O][=C][Branch1][C][O][C][=C][C][=N][C][Branch2][Ring1][#Branch1][C][=C][N][Branch1][=C][C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=N][Ring1][=C][=C][Ring2][Ring1][Ring2] |
CHEMBL4292154 | [C][C][=C][C][=C][C][C][=Branch1][C][=O][N][Branch2][Ring2][Ring1][C][=C][C][=C][C][Branch2][Ring1][#Branch1][O][C][C][=C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][=N][Ring1][N][=C][Ring2][Ring1][Ring2][C][Branch1][#C][/C][=C][/C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][C][Ring2][Ring2][=Branch2][=Ring2][Ring2][Branch1] |
CHEMBL4292236 | [C][O][C][=C][C][Branch2][Ring2][Branch2][C][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][O][C][=C][C][NH1][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=N][C][=Ring1][O][C][=C][Ring1][#C][Ring2][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=C][O][C] |
CHEMBL4292237 | [C][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][N][Branch2][Ring1][O][C][C][Branch1][C][O][C][N][C][C][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][C][C][Ring1][=C][C][Ring2][Ring2][C][=O] |
CHEMBL4292238 | [C][C][C][N][C][=Branch1][C][=O][C][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][C][N][C][C][N][Branch1][=C][C][=N][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][#C][=C][C][=C][Ring2][Ring1][Branch2][Ring2][Ring1][N] |
CHEMBL4292239 | [O][=C][Branch1][Ring1][N][O][C][=C][N][=C][Branch2][Ring1][=Branch2][N][C][C][C][Branch1][#C][N][Se][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=O][C][C][Ring1][S][N][=C][Ring2][Ring1][=Branch1] |
CHEMBL4292240 | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=C][Branch1][C][N][O][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring1][P] |
CHEMBL4292335 | [C][N][C][C][C][Branch2][Ring2][S][N][C][=N][C][Branch1][#C][N][C][C][C][C][Branch1][C][F][Branch1][C][F][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][Ring2][Ring1][=C] |
CHEMBL4292336 | [C][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][=C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][C][Ring1][Branch2][=C][Ring1][N][Ring1][#C] |
CHEMBL4292337 | [C][C][=Branch1][C][=O][N][C@H1][C@H1][Branch2][#Branch1][Ring2][O][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch2][Branch1][S][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][C][=C][C@@H1][C][C][Branch1][C][C][Branch1][C][C][C][C][C@][Ring1][Branch2][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C][C][=C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][N][=N][Ring1][N][C][C][C@][Ring2][Ring1][N][Ring2][Ring1][P][C][C][Ring2][Ring2][O][Branch1][C][C][C][O][C@H1][Branch2][Ring1][C][C][O][C@@H1][O][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Ring1][Branch2][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Branch1][S][O] |
CHEMBL4292338 | [C][C][=N][C][Branch2][Ring1][=Branch1][N][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][S][Ring1][N][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring2][Ring1][Branch1][O] |
CHEMBL4292339 | [O][=C][Branch1][P][C][C][C][C][O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][N][C][C][C][S][C][Ring1][Branch1][=O] |
CHEMBL4292422 | [C][O][C][=C][C][Branch2][Ring1][=C][C][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][O][C][=C][Ring1][=Branch2][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][C][O][Ring1][#Branch1][=C][C][Branch1][C][Br][=C][Ring2][Ring1][Branch2][O][C] |
CHEMBL4292423 | [C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][Branch2][Ring2][O][O][C][=C][C][=N][C][Branch2][Ring1][=C][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][=C][Ring2][Ring1][#Branch1][=C][C][=C][Ring2][Ring2][C][Ring2][Ring1][=C] |
CHEMBL4292424 | [C][C][C][C][C][C][C][C][N][N][=N+1][Branch1][Ring1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O].[O][=S][=Branch1][C][=O][Branch1][C][O-1][C][Branch1][C][F][Branch1][C][F][F] |
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