chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL13816 | [C][N][C][C@H1][Branch1][P][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@H1][C][=C][C][=C][C][NH1][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C@H1][Ring1][N][Ring2][Ring1][N] |
CHEMBL13817 | [C][C][Branch1][C][C][Branch1][C][N][C][=Branch1][C][=O][N][C@H1][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C] |
CHEMBL13508 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL13538 | [C][O][C][=C][C][=C][Branch2][Branch1][#Branch1][C][C@H1][N][C][=Branch1][C][=O][/C][=C][/C][C@@H1][Branch1][#C][C][Branch1][C][O][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][C][N][C][Ring2][Ring1][P][=O][C][=C][Ring2][Ri... |
CHEMBL13832 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][C][=C][Ring1][O][O][C][C][Ring1][Branch1][Branch1][C][C][C] |
CHEMBL13834 | [C][C@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL13835 | [C][C][C][C][C][C][C][C][C][C][C][C][O][C][=C][C][=C][C][Branch2][Ring2][Ring1][O][C][C][Branch2][Ring1][O][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N+1][C][=C][S][C][=Ring1][Branch1][O][C][=C][Ring2][Ring1][=N][C] |
CHEMBL13837 | [C][C][N][Branch1][=Branch2][C][C][C][C][C][C][C][F][C][C][C][C][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O] |
CHEMBL13532 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][Ring2][Ring1][C][O][C][O][Ring1][#Branch1] |
CHEMBL13569 | [C][C][Branch1][C][C][C][=C][C][=C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][O] |
CHEMBL13570 | [C][C][N][C][=Branch1][C][=O][C][=N][C][Branch1][Ring1][C][=O][=C][N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S] |
CHEMBL13571 | [C][/N][=C][Branch1][Ring2][/N][C][#N][C][=C][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][Ring1][#C] |
CHEMBL13675 | [C][C][Branch1][C][C][Branch1][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][=O][N][C][C][C][C][Branch1][P][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][Ring1][S] |
CHEMBL13676 | [C][C][N][Branch1][O][C][C][C][C][C][C][Branch1][C][F][F][C][C][C][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O] |
CHEMBL13219 | [C][C][=C][C][=C][Branch1][C][C][N][Ring1][=Branch1][C][=C][C][=N][C][Branch1][C][O][=C][Branch1][C][O][N][=C][Ring1][Branch2][C][=C][Ring1][N][N+1][=Branch1][C][=O][O-1] |
CHEMBL526 | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][O] |
CHEMBL13220 | [C][C][=C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C][C][C][N][C][C][O][C][C][Ring1][=Branch1] |
CHEMBL13305 | [N][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl] |
CHEMBL13306 | [C][C][C][C][C][C][C][C][C][C][C][C][C][/C][=C][/C][=Branch1][C][=O][O][C@@H1][Branch1][Ring1][C][O][C@@H1][Ring1][Branch2][O][C][Branch1][C][C][=O] |
CHEMBL537 | [O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] |
CHEMBL13308 | [C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][S][C][C][S][C][C][=C][C][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][O][Ring1][=Branch2][O][Ring2][Ring1][Ring2] |
CHEMBL13510 | [C][C][C][C][C][C][/C][=C][Branch1][N][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][O][O][C][C][N][Branch1][Ring1][C][C][C][C][C][=C][Ring1][=C] |
CHEMBL13511 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C@@H1][C][N][Branch1][C][C][C][C@H1][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] |
CHEMBL13617 | [O][=C][Branch1][C][O][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] |
CHEMBL13619 | [C][C][N][C][=C][N][=C][Ring1][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] |
CHEMBL13620 | [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][O][Ring1][O] |
CHEMBL13621 | [C][C][N][Branch1][C][C][C][=N][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][O][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] |
CHEMBL13533 | [C][O][C][=C][C][=C][C][=C][C][=N][C][Branch1][Ring1][C][O][=C][N][Ring1][#Branch1][C][Ring1][O][=C][Ring1][#C] |
CHEMBL13534 | [O][=C][Branch2][Ring1][S][N][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Br][=C][Ring2][Ring1][C][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Br] |
CHEMBL13535 | [N][=C][Branch1][C][N][N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][=Branch2] |
CHEMBL13536 | [C][C][N][Branch1][=Branch2][C][C][C][C][C][C][C][F][C][C][C][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O] |
CHEMBL13537 | [C][O][C][=C][C][=C][Branch2][Branch1][#Branch2][C][C@H1][N][C][=Branch1][C][=O][/C][=C][/C][C@@H1][Branch1][#C][C][Branch1][C][O][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][N][C][Ring2][Ring2][C][=... |
CHEMBL13540 | [C][C][N][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2].[Cl] |
CHEMBL13647 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][#Branch1][C][C][N][C][=Branch1][C][=O][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][C][Ring1][O][=O][C][C][Ring2][Ring1][Ring2] |
CHEMBL13677 | [C][C][N][Branch2][Ring1][Branch2][C][C][/C][=C][/C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][C][C][C][C][C][Branch1][C][C][F] |
CHEMBL13678 | [C][O][C][=C][C][=C][C][=C][C][=N][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][N][Ring1][#Branch2][C][Ring1][=C][=C][Ring2][Ring1][C] |
CHEMBL13679 | [C][#C][C][N][Branch2][Ring1][=Branch1][C][C][=C][C][=C][N][=C][Branch1][C][N][N][=C][Branch1][C][O][C][Ring1][Branch2][=C][Ring1][N][C][=C][C][=C][Branch1][=Branch2][C][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][N] |
CHEMBL13762 | [N][C][=N][C][Branch1][C][O][=C][N][=C][N][Branch2][Ring1][Branch1][C@H1][C][=C][C@@H1][Branch1][O][O][C][P][=Branch1][C][=O][Branch1][C][O][O][O][C][Ring1][N][C][Ring1][P][=N][Ring2][Ring1][=Branch1] |
CHEMBL13763 | [C][C][C][C][C][N][C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2].[Cl] |
CHEMBL13764 | [C][C][C][N][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O].[Cl] |
CHEMBL13766 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O] |
CHEMBL13309 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Ring2][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=N] |
CHEMBL13310 | [C][C][=Branch1][C][=O][O][C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][=Branch2][N][C][=N][C][C][N][Ring1][Branch1][C][Ring1][O][S][C][Ring2][Ring1][#C] |
CHEMBL104 | [Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][N][=C][Ring1][Branch1] |
CHEMBL13397 | [C][C][N][Branch1][N][C][C][C][C][C][C][C][Branch1][C][F][F][C][C][C][C][Branch1][C][O][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O] |
CHEMBL13623 | [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][=C][Ring1][=C][O][C][C][Ring1][Branch1][Branch1][C][C][C] |
CHEMBL13624 | [N][C][=N][C][Branch1][C][N][=C][Branch2][Ring2][Ring1][C][C][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][S][Ring1][P][C][Branch1][C][O][=N][Ring2][Ring1][=N] |
CHEMBL13627 | [C][C][=Branch1][C][=O][O].[C][C][N][Branch2][Ring2][=Branch2][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@@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C... |
CHEMBL13722 | [C][#C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][Ring1][#C] |
CHEMBL13723 | [C][O][C][=C][C][=C][C][=C][C][=N][C][Branch1][=N][C][=Branch1][C][=O][N][C][N][=N][NH1][N][=Ring1][Branch1][=C][N][Ring1][=N][C][Ring1][P][=C][Ring2][Ring1][Branch1] |
CHEMBL13649 | [C][C][O][C][=Branch1][C][=O][C][=C][N][C][Branch1][S][C][=C][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][=N][Ring1][=C] |
CHEMBL13650 | [C][O][C][=C][C][=C][C][=C][C][=N][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][N][Ring1][Branch2][C][Ring1][N][=C][Ring1][S] |
CHEMBL13651 | [C][C][=Branch1][C][=O][O].[C][C][N][Branch1][#C][C][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=Branch1][C][=O][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@@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch... |
CHEMBL13652 | [C][C][=Branch1][C][=O][O].[C][C][N][Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][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@@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] |
CHEMBL13741 | [C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Br].[Cl] |
CHEMBL13742 | [C][C][=C][C][=C][Branch1][O][C][=N][C][C][Branch1][C][C][N][Ring1][=Branch1][C][=C][Ring1][N] |
CHEMBL13767 | [C][C][Branch1][C][C][C][C@H1][Branch2][Branch1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=... |
CHEMBL13769 | [C][O][C][=C][C][=C][Branch2][Branch1][=N][C][=Branch1][C][=O][O][C][C@H1][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Bra... |
CHEMBL13861 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Branch2][Ring1][S][=C][/C][=C][/C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=Te+1][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][Te][Ring2][Ring1][O].[Cl-1] |
CHEMBL13863 | [C][C][Branch1][C][C][C][Branch2][Ring2][#Branch1][N][C][=Branch1][C][=O][C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Branch1][C][O][N][=C][Branch1][C][O][N][=C][Ring1][Branch2][C][Ring2][Ring1][C][=O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL13864 | [N][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][N][Ring1][O] |
CHEMBL13398 | [C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][N][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][#C] |
CHEMBL13399 | [C][C][C][C][C][=C][Branch1][C][O][N][Branch1][=C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][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][Ring2][Ring1][O][=O] |
CHEMBL13400 | [O][=C][Branch1][C][O][C][=C][N][C][Branch2][Ring1][#Branch1][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S][=N][Ring2][Ring1][Ring1] |
CHEMBL13122 | [C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Branch1][C][C][S][C][C][N][C][=C][C][Branch2][Ring1][Branch1][N][C][C][S][C][C][=C][C][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][O][Ring1][=Branch2][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring2][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1][O][Ring2][... |
CHEMBL13725 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][#N][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL13727 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][C@@H1][C][C@@H1][Ring1][Ring1][C][C][Branch1][Ring2][C][Ring1][=N][N][Branch1][C][C][C][C][C][Ring1][P][Ring1][=C][Ring1][Branch2] |
CHEMBL13880 | [C][C][=C][C][=C][Branch2][Ring2][#Branch2][O][C][=N][C][=C][C][Branch2][Ring1][=N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][N][Ring1][N][C][C][C][N][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][#C][C] |
CHEMBL13881 | [C][=C][C][=C][Branch1][#Branch2][N][C][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][=N] |
CHEMBL13882 | [C][C@@H1][Branch2][=Branch1][=Branch2][N][C][=Branch1][C][=O][C@@][Branch1][C][C][Branch2][Ring2][=Branch2][C][C][=C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O-1][C][=C][C][=C][C][=C][Ring2][Ring1][#Branch1][Ring1][=Branch1][N][C... |
CHEMBL13883 | [C][O][C][=C][C][Branch1][Ring1][C][=O][=C][C][=C][Ring1][Branch2][O] |
CHEMBL13884 | [C][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1].[Cl] |
CHEMBL3309598 | [C][N][C][C][N][Branch2][Ring2][Ring2][C][=Branch1][C][=O][C][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1][C][C][Ring2][Ring1][=N] |
CHEMBL4543365 | [C][C][=N][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][Ring1][#C][C][#N] |
CHEMBL13743 | [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][O][Ring1][N] |
CHEMBL13745 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Ring1][P] |
CHEMBL13746 | [C][C][C][=C][C][=Branch2][Ring1][Ring2][=N][C][=C][N][=C][Branch1][#Branch1][C][=Branch1][C][=N][N][O][C][=C][Ring1][=C][Ring1][#Branch2][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring2][Ring1][Branch1][C][O][C][=Branch1][C][=O][C@][Ring1][O][Branch1][C][O][C][C] |
CHEMBL13838 | [C][C][C][C][C][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[Cl] |
CHEMBL13866 | [C][C@@H1][C][C@@H1][C][=C][C][=C][C][NH1][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C@H1][Ring1][N][N][Branch1][C][C][C][Ring1][P] |
CHEMBL13572 | [C][C][C][N][C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2].[Cl] |
CHEMBL13573 | [C][O][C][=C][C][C][Branch1][Branch2][C][C][N][Branch1][C][C][C][=C][NH1][C][=Ring1][#Branch2][C][Branch1][Ring1][O][C][=C][Ring1][S][O][C] |
CHEMBL13575 | [O][=C][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] |
CHEMBL13576 | [C][N][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl].[Cl] |
CHEMBL13577 | [O][=C][Branch2][Branch1][=Branch1][N][C@@H1][C][C@H1][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C@H1][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][N][Ring2][Ring1][O][C][Ring2][Ring1][=C][=O][O][C]... |
CHEMBL13578 | [O][=C][Branch1][C][O][/C][=N][/O][C][Branch2][Ring1][N][C][=C][C][=C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][C][C][=C][C][=C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][C] |
CHEMBL13579 | [F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][C][N][Ring1][Branch1] |
CHEMBL13125 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][=C][Ring1][Branch2][Ring1][S] |
CHEMBL13126 | [N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL13127 | [C][O][C][=C][C][=C][C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][=C][Ring2][Ring1][C][=C][Ring2][Ring1][N] |
CHEMBL13222 | [C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring1][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL13886 | [C][=C][C][=C][Branch2][Ring1][C][C][=C][C][=C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][=C][Ring1][O][C][=C][Ring1][P] |
CHEMBL13887 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][C][C][N][Ring1][Branch1] |
CHEMBL13888 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] |
CHEMBL13889 | [C][C][C][C][N][C][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1].[Cl] |
CHEMBL13512 | [C][O][C][=Branch1][C][=O][C][=C][O][C][=C][Branch1][C][O][C][=C][Branch1][#Branch2][C][Branch1][C][C][=C][Ring1][O][Ring1][Branch2][C][=C][C@][Branch1][C][C][C][=Branch1][C][=O][C][C][C@@H1][Ring1][=C][Ring1][#Branch1] |
CHEMBL13513 | [C][O][C][C@H1][O][C][=Branch1][C][=O][C][=C][O][C][=C][Ring1][Branch1][C@@][Ring1][#Branch2][Branch1][C][C][C][=C][Branch1][Branch1][C][Ring1][#Branch1][=O][C@@H1][C][C][C][=Branch1][C][=O][C@@][Ring1][=Branch1][Branch1][C][C][C][C][Ring1][=N] |
CHEMBL13514 | [C][C][C@H1][Branch2][Branch1][N][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][Branch2][Ring1][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C@@H1][Branch1][C]... |
CHEMBL13515 | [C][C][N][C][=Branch1][C][=O][C][=N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] |
CHEMBL13841 | [C][C][Branch1][C][C][Branch1][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][=O][N][C][C][C][Branch1][=C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][C][Ring1][#C] |
CHEMBL13541 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][N][S][C][=Branch1][C][=S][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][P] |
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