chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL14646 | [C][N][C][N][Branch1][C][C][C][N][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=C][Branch1][=Branch2][C][C][=C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][Branch1][C][=Ring2][Ring1][Branch2][C][Ring2][Ring1][=N][=O] |
CHEMBL14936 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring1][N][C][O][C][C][O] |
CHEMBL14937 | [C][O][C][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][Branch1][C][F][=C][C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring2][Ring1][Branch2][=Ring1][=N] |
CHEMBL14938 | [C][C][Branch1][C][C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][N][C][C][=C][C][=C][NH1][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][Branch1] |
CHEMBL14939 | [C][C][Branch1][C][C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][Branch1] |
CHEMBL14665 | [Cl][C][=C][C][=C][C][Branch1][S][N][C][C][C][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=N][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] |
CHEMBL14666 | [C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][#C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][Branch2][Ring2][=N][C][C][N][Branch2][Ring2][C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ri... |
CHEMBL3309986 | [N][C][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch1][S][C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][N][Ring2][Ring1][Ring1][N][=Ring2][Ring1][=Branch1] |
CHEMBL14956 | [C][O][C][=C][C][=C][Branch2][Ring2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][C][C][=C][Ring2][Ring1][O] |
CHEMBL14691 | [O][C][=C][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=N][C][=C][C][=C][Branch1][Branch2][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1][O][C][O][Ring1][#Branch1] |
CHEMBL14692 | [O][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][Branch1][C][O][=C][Ring1][=C][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL3310004 | [N][C][N][=C][C][=C][C][=C][Branch1][=Branch2][C][=Branch1][C][=O][N][C][C][O][C][=C][Ring1][N][N][=C][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][Ring2][Ring1][#Branch2][N][=Ring2][Ring1][=N] |
CHEMBL4543197 | [O][=C][Branch1][O][C][S][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Branch1][C][O][C][Ring1][Branch2] |
CHEMBL4543198 | [N][#C][/C][=Branch2][Ring1][Branch1][=N][\N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] |
CHEMBL4543199 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=N][C][Branch2][Ring1][Branch2][N][C][C][=C][Branch1][=C][C][=C][NH1][C][=N][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][#C][=C][Ring2][Ring1][=Branch1][C][=Ring2][Ring1][=Branch2][C] |
CHEMBL4543200 | [C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][Cl] |
CHEMBL4543201 | [C][O][C][=Branch1][C][=O][N][C@H1][Branch2][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=N][C][=C][Branch2][=Branch1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=C][N][=C][Branch2][Ring1][O][C@@H1][C][C][C][N][Ring1][Branc... |
CHEMBL4543202 | [C][C@H1][C@H1][C@H1][Branch2][=Branch1][Ring1][C][C@H1][C@@H1][C][C][=C][C][C@@H1][Branch2][Ring1][P][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][C][C@][Ring2][Ring1][Branch2][Branch1][C][C][C@H... |
CHEMBL14438 | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][Branch1][C][C][C][C][C][Ring1][=Branch2][=N][N][C][=C][Branch1][C][C][N][Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O] |
CHEMBL14439 | [O][=C][Branch1][C][O][C][C][S][C][C][C][C][N][C][=Branch1][C][=O][C][C][C@@H1][Ring1][=Branch1][/C][=C][/C][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL14440 | [N][C][C][O][C][Branch2][Ring2][=Branch2][O][C][C][Branch1][C][N][C][C][Branch1][C][N][C][Branch2][Ring1][Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][N][C][Ring1][#Branch2][O][C][Ring2][Ring1][Ring2][O][C][Branch1][C][N][C][C][Ring2][Ring1][=N][O] |
CHEMBL14441 | [C][C][C][C][=N][C][=C][C][=C][Ring1][=Branch1][NH1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2] |
CHEMBL14444 | [C][O][C][=C][C][=C][N][Branch2][=Branch1][=N][C@@H1][O][C@@H1][Branch2][Branch1][P][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][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][... |
CHEMBL14526 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][C][Branch1][C][O][=C][C][=C][C][=Branch1][Branch2][=C][C][Ring1][=Branch1][=N][Ring1][O][O][C][O][Ring1][Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL14647 | [C][C][=C][C][=C][C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=O][=C][Ring2][Ring1][O] |
CHEMBL14648 | [C][O][C][=Branch1][C][=O][C][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1] |
CHEMBL14733 | [C][C][C][C][/C][=Branch1][=C][=N][\N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][Ring1][#Branch2][Ring2][Ring1][#Branch1] |
CHEMBL14734 | [O][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][N][Ring1][N][C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4543213 | [C][C][C][Branch1][Ring2][C][C][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
CHEMBL4543214 | [C][O][C][=C][C][=C][Branch2][Ring2][O][C][=C][Branch1][Ring1][C][O][N][Branch1][C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][P][C][Ring2][Ring1][Branch2][=O][C][=C][Ring2][Ring1][#C] |
CHEMBL4543215 | [C][C][Branch1][C][C][C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][O][C][=C][C][Branch1][Ring1][C][N][=N][C][=N][Ring1][Branch2][=C][Ring1][#C][C][C][Ring2][Ring1][Branch2].[Cl] |
CHEMBL4543216 | [C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=C][Ring1][S][C][C][C][C][C][N][Ring1][Branch1][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Ring1][O][C][Ring2][Ring1][C][C][=Branch1][C... |
CHEMBL14735 | [C][C][Branch1][C][C][C][O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][Ring1][C][=C][Ring1][=C][Ring2][Ring1][C] |
CHEMBL14736 | [C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][Branch2] |
CHEMBL14667 | [C][C][C][C][=C][Branch2][Ring1][N][O][C][C][C][O][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=Branch1][C][=O][O][C][C][=C][Ring1][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring2][Ring1][N][O] |
CHEMBL14668 | [C][C][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][Ring1][=N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1] |
CHEMBL14669 | [C][C][=N][C][=C][C][=C][Ring1][=Branch1][NH1][C][=C][C][Branch2][Ring1][Branch1][O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][=C][C][=C][Ring2][Ring1][Ring2][Ring2][Ring1][#Branch1] |
CHEMBL14756 | [C][=C][C][C@@H1][Branch2][Branch1][=Branch2][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch2][Ring1][Ring1][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][C][=C][C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][=C][Ring1][O][C... |
CHEMBL14757 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL14759 | [O][=C][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][C][Branch1][C][O][=C][Ring1][=C][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL14693 | [C][C][C][C][/C][=Branch1][O][=N][\N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][Ring2][Ring1][Ring1] |
CHEMBL14695 | [C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][N][Branch1][C][C][C] |
CHEMBL14696 | [C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] |
CHEMBL14779 | [C][C][=C][C][=C][Branch1][=C][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][C][Branch1][Branch1][/C][=C][/C][O][=C][Ring2][Ring1][Ring1] |
CHEMBL14780 | [C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=C][/C][O] |
CHEMBL14781 | [C][N][Branch1][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][C][C][Ring1][=N] |
CHEMBL14527 | [C][=C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][Branch1][Ring1][C][C][=C][-\Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL14528 | [C][C][=C][Branch1][Ring1][C][#N][C][=C][C][=C][Ring1][Branch2][C][=N][C][C][N][Ring1][Branch1] |
CHEMBL14529 | [C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Branch1][C][N][=O] |
CHEMBL14530 | [O][=C][Branch1][C][O][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][C@@H1][Ring1][=Branch1][/C][=C][/C][Branch1][C][O][C][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL3310041 | [C][S][C][N][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Ring1][O][Ring2][Ring1][Ring2] |
CHEMBL3310042 | [C][C][O][C][=N][C][=N][C][Branch1][Ring1][S][C][=N][N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][#C][Ring1][=Branch1] |
CHEMBL14737 | [C][O][C@H1][C][=Branch1][C][=O][N][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][C][C][Branch1][#Branch2][S][C][=N][N][=N][N][Ring1][Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][C@H1][Ring2][Ring1][O][Ring2][Ring1][Branch2] |
CHEMBL14738 | [C][C][O][C][=Branch1][C][=O][C][Branch1][#C][C][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][Ring1][=N][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL14824 | [C][=C][C][C@H1][Branch1][Branch2][C@H1][Branch1][C][O][C][C][C][O][C][Ring1][#Branch2][=O] |
CHEMBL14825 | [C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][S][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][C][Branch1][C][N][=O][C][Branch1][C][C][C] |
CHEMBL14826 | [C][C][=C][N][Branch2][Ring1][Ring2][C][O][C][Branch1][#Branch2][C][P][=Branch1][C][=O][Branch1][C][O][O][C][Branch1][C][C][O][C][=Branch1][C][=O][NH1][C][Ring2][Ring1][C][=O] |
CHEMBL3310045 | [O][=C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][N][C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring1][=O] |
CHEMBL14760 | [C][=C][C][=C][Branch2][Ring1][=N][C][C][=C][C][=C][Branch1][P][O][C][C][N][C][=N][C][=C][C][=N][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL14761 | [C][N][Branch1][C][C][C][=N][S][C][Branch2][Branch1][=Branch1][C][=C][C][=C][Branch2][Ring2][#Branch2][N][C][C][C][Branch2][Ring1][=C][N][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][C][Ring1][S][C][C][Ring2][Ring1][=Branch1][N][=N][Ring... |
CHEMBL14849 | [Cl][C][=C][C][=C][C][Branch1][=C][N][C][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=N][C][Ring1][P][=C][Ring2][Ring1][Branch1] |
CHEMBL14851 | [C][N][C][C][C][C][N][Branch2][Ring2][Branch2][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][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][Ring2][Ring1][N] |
CHEMBL14782 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][=Branch2][C][=C][C][Branch1][C][O][=C][C][=C][C][=Branch1][Branch2][=C][C][Ring1][=Branch1][=N][Ring1][O][O][C][O][Ring1][Branch2][=C][Ring2][Ring1][=Branch1] |
CHEMBL14783 | [C][C][=C][C][=C][Branch1][=N][C][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][O][Ring1][=N] |
CHEMBL14784 | [C][C][=C][C][=C][Branch2][Ring2][=Branch1][C][Branch1][C][C][N][C][=C][C][=C][N][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring1][=O][C][=C][Ring2][Ring1][=N] |
CHEMBL14870 | [C][O][/N][=C][Branch2][Branch1][=Branch1][\C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch2][Ring1][=Branch1][C][N][Branch1][C][C][C][S][C][=C][Branch1][Branch1][N+1][=Ring1][Branch1][C][C][C][C][C][Ring1][Branch2][C][S][C][Ring2][Ring1][=Branch2][Ring2][Ring1... |
CHEMBL14871 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][Branch1][C][O-1][=C][Ring1][O][C][Branch1][C][C][=O] |
CHEMBL14276 | [C][O][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][=N][C][C][Ring2][Ring1][O] |
CHEMBL14277 | [N][C][=C][C][=C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=O][C][=C][Ring2][Ring1][O] |
CHEMBL14279 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][Branch2][Ring1][=C][N][C][C][C][N][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][=N][C][=N][S][Ring1][Branch1][N][=N][Ring1][O][C][C][Ring1][P][=C][Ring2][Ring1][Branch2] |
CHEMBL3310043 | [C][O][C][=C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][C][=Ring1][=C][C][=C][Ring2][Ring1][C][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] |
CHEMBL14827 | [C][O][C@H1][C][=Branch1][C][=O][N][C][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C@H1][Ring2][Ring1][=Branch2][Ring2][Ring1][=Branch1] |
CHEMBL14828 | [C][O][C][=C][C][=C][C][Branch2][Ring1][O][C][=C][C][Branch1][C][O][=C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][S][=C][Ring2][Ring1][=Branch1] |
CHEMBL14831 | [C][O][C][C][C][Branch2][=Branch1][O][O][C@@H1][/C][Branch1][C][C][=C][/C][C@@H1][C][C@@H1][Branch2][Ring1][#Branch2][C][C@][Branch2][Ring1][C][C][=C][C@H1][Branch1][C][C][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][O][Ring1][#Branch2][O][Ring1][#C][O][C][=Branch1][C][=O][C@@H1][C][=C][Branch1][C][C][C@@H1][Branch1]... |
CHEMBL14832 | [C][N+1][Branch2][Branch1][=Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][N+1][Branch1][C][C][C][C][C][C][C][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][C][C][Ring2][Ring1][Branch2][=O][C][C][C... |
CHEMBL14979 | [C][C][Branch1][C][C][C][N][C][C][N][Branch2][Ring2][Branch2][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][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][C][Ring2][Ring1][=N] |
CHEMBL14980 | [C][C][N][C][=Branch1][C][=O][N][Branch2][Ring1][=Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch2] |
CHEMBL14852 | [C][C][N][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch2] |
CHEMBL14853 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][N][N][/N][=C][\C][C][C][Branch1][C][C][N][C][Ring1][#Branch1][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][=Branch2][=O][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL14940 | [N][C][=N][C][Branch1][C][O][=C][NH1][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][C][Ring1][O][=N][Ring1][S] |
CHEMBL550 | [C][C][C@@H1][C][=Branch1][C][=O][O][C][C@@H1][Ring1][=Branch1][C][C][=C][N][=C][N][Ring1][Branch1][C] |
CHEMBL14941 | [C][C][Branch1][C][C][O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Branch1][C][N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][Ring1][#C][C][C@@H1][Ring2][Ring1][Ring2][O] |
CHEMBL14942 | [C][N][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][Ring1][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][C][Ring2][Ring1][#Branch1] |
CHEMBL14872 | [C][N][C][N][Branch1][C][C][C][N][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][Branch2][C][=Ring2][Ring1][O][C][Ring2][Ring1][S][=O] |
CHEMBL14960 | [C][N][C][C][C][C][N][Branch2][Ring2][Ring2][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][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][Branch2] |
CHEMBL14961 | [C][C][/N][=C][Branch1][Ring2][\N][C][#N][N][C][C][S][C][N][N][=C][Branch1][C][C][C][=C][C][Ring1][#Branch1][=O] |
CHEMBL3309269 | [N][C][N][=C][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][C][O][C][=C][Ring1][=N][N][=C][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][Ring2][Ring1][O][N][=Ring2][Ring1][=C] |
CHEMBL14361 | [C][O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][C][=C][Ring1][=Branch2][O][C][C][N][C][C][C][Branch1][P][C][=N][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S] |
CHEMBL14362 | [C][O][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][#Branch2][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][C][Ring2][Ring1][N] |
CHEMBL14363 | [Cl][C][=C][C][=C][Branch2][Ring1][Ring2][C][NH1][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=Ring1][=N][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] |
CHEMBL14364 | [Cl][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S][=C][C][=N][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O] |
CHEMBL14366 | [C][O][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][P][C][=Ring2][Ring1][=Branch1][Cl] |
CHEMBL14981 | [C][=C][C][=Branch1][C][=O][O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Branch2][Ring1][Ring2][/C][=C][/C][Branch1][C][C][=C][/C][=C][/C][Branch1][C][C][=C][/C][=Branch1][C][=O][O][=C][Ring2][Ring1][Branch1][C] |
CHEMBL14982 | [Cl].[O][C][=C][C][=C][Branch1][=Branch2][C][C][=N][C][C][N][Ring1][Branch1][C][Branch1][C][F][=C][Ring1][=N][O] |
CHEMBL14983 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][=C][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] |
CHEMBL14650 | [O][=C][Branch1][C][O][C][=Branch1][C][=O][O].[O][C][=C][C][=C][Branch1][=Branch2][C][C@H1][C][N][C][=N][Ring1][Branch1][C][=C][Ring1][N][O] |
CHEMBL14651 | [Cl].[O][C][=C][C][Branch1][=Branch2][C][C][=N][C][C][N][Ring1][Branch1][=C][C][Branch1][C][F][=C][Ring1][=N][O] |
CHEMBL14652 | [C][O][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][N][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N][C][C][Ring2][Ring1][#Branch2] |
CHEMBL14943 | [C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][N+1][=C][C][=C][C][=C][Ring1][=Branch1].[Cl-1] |
CHEMBL14944 | [O][C][=C][C][=Branch2][Ring1][Ring1][=N][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][O][C][O][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring2][Ring1][Branch1] |
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