chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL4290212 | [C][C][C][C@@H1][Branch1][Ring2][C][C][O][N][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N] |
CHEMBL4290213 | [O][=C][Branch1][C][O][C][=C][C][=C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][C][=C][Ring2][Ring1][C] |
CHEMBL4290214 | [C][N][C][=N][C][Branch2][Ring1][#Branch2][N][C@H1][C@H1][C][C][C@@H1][Ring1][Branch1][C][N][Branch1][O][C][=N][N][=C][Branch1][C][C][O][Ring1][=Branch1][C][Ring1][=N][=N][C][=C][Ring2][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][N][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4290215 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][N][=N][Ring1][#C][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4290216 | [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][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C] |
CHEMBL4290292 | [C][C][C][N][C][=Branch1][C][=O][C][=Branch2][Ring1][=Branch2][=N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch2] |
CHEMBL4290293 | [O][=C][Branch1][P][/C][=C][\N][C][=C][C][=C][C][=C][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][=C][C][=C][N][Ring1][S][Ring1][=Branch1] |
CHEMBL4290294 | [C][C][C][C][C][C][Branch1][C][O][C][O][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][=Ring1][Branch2][O] |
CHEMBL4290295 | [C][C@@H1][Branch2][Ring2][=N][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Branch1][C][C@][Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4290296 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4290387 | [O][=N+1][Branch1][C][O-1][C][=C][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][C][O][=C][Ring1][Branch2][=C][C][Branch1][C][Cl][=C][N][Ring2][Ring1][N][Ring1][#C] |
CHEMBL4290388 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Branch1][=Branch2][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][F][C][=C][Ring2][Ring2][#Branch1][O] |
CHEMBL4290389 | [O][=C][Branch2][Branch1][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][P][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][C][=C][S][Ring1][Branch1] |
CHEMBL4290390 | [C][O][C][Branch1][C][C][Branch1][C][C][C][C][C][C@@][Branch1][C][C][Branch1][C][O][C@H1][C][C][C@][Branch1][C][C][C@@H1][Ring1][=Branch1][C@H1][Branch1][C][O][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][Branch2][O][C][=Branch1][C][=O][C][Cl][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][=C][C][C][C@][Ring2][Ring1][C][Ring2][Ring1][Branch2][C] |
CHEMBL4290391 | [C][O][C][=C][C][Branch2][=Branch1][#Branch1][C@@H1][C][=C][C][=C][Branch2][Branch1][=Branch2][C][=C][Ring1][=Branch1][C@H1][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][=C][N][Branch2][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][N][=N][Ring1][P][C@H1][C][O][C][=Branch1][C][=O][C@@H1][Ring1][=Branch1][Ring2][Ring2][C][O][C][O][Ring2][Ring2][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][=N][O][C] |
CHEMBL4290392 | [C][C][Branch1][C][C][C][Branch2][Branch2][S][/C][=C][/C][=C][/C][=C][/N][Branch1][N][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][C][Ring2][Ring1][Ring2][Branch1][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch2][Ring2][C][C][C][C][N][N][=C][C][=C][Ring1][Branch1][N][=C][Branch1][C][N][N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][=C][Ring1][#C][Ring1][#Branch2][C][=C][Ring2][Ring1][O][=N+1][Branch1][N][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][Ring1][#Branch2][Ring2][#Branch1][O].[C][C][N][Branch1][Ring1][C][C][C][C].[C][C][N][Branch1][Ring1][C][C][C][C] |
CHEMBL4290393 | [C][O][C][=C][C][Branch2][Ring2][S][C][=C][C][Branch2][Ring1][Branch1][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring2][Ring1][O][Ring1][O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][Ring1][O][C] |
CHEMBL4290394 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring2][=Branch2][N][C][=C][Branch2][Ring1][=C][C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][=N][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C] |
CHEMBL4290395 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][=C][C][=C][Branch2][Ring2][#Branch1][O][C][C][=C][N][Branch2][Ring1][#Branch2][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][Ring1][=N][N][=N][Ring2][Ring1][Ring2][C][=C][Ring2][Ring2][#Branch1][Ring2][Ring1][N] |
CHEMBL4290396 | [C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][C][=N][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][S] |
CHEMBL4290481 | [C][C][=C][C][=C][C][Branch2][Ring2][#Branch1][C][=C][Branch2][Ring1][C][C][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2] |
CHEMBL4290482 | [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][Branch2][Ring1][#Branch2][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][C][=C][Branch2][Ring1][O][N][C][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][=N][C][=C][N][=C][Ring2][Ring2][#Branch1][Ring2][Ring1][Ring2] |
CHEMBL4290483 | [Cl][C][=C][C][=C][Branch1][S][C][N][C@H1][C][C@@H1][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring2][Ring1][C] |
CHEMBL4290484 | [C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][=N][N][=C][C][C][=C][Branch1][N][S][C][=Ring1][Branch1][N][=C][N][Ring1][N][Ring1][=Branch2][C][C][C][C][Ring1][O] |
CHEMBL4290485 | [Cl][C][=C][C][Branch1][Branch2][C][=N][N][=N][NH1][Ring1][Branch1][=C][C][=C][Ring1][O][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O] |
CHEMBL4290558 | [C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][/C][Ring1][N][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] |
CHEMBL4290559 | [C][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][=C][O][C][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][O][C][Ring2][Ring1][N][=C][Ring2][Ring1][S] |
CHEMBL4290560 | [C][C][Branch1][C][C][O][C@H1][O][C@H1][Branch2][Ring1][Branch2][C][N][C][=C][Branch1][C][Br][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][Branch1][O][Ring2][Ring1][=Branch2] |
CHEMBL4290561 | [C][C@@H1][Branch2][Ring2][#C][N][C][=N][C][Branch1][=C][N][C@H1][Branch1][C][C][C][Branch1][C][F][Branch1][C][F][F][=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][#Branch1][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4290644 | [C][N][C][=Branch1][C][=O][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][N][=C][Branch1][#C][N][C][C@H1][Branch1][C][C][N][C@H1][Branch1][C][C][C][Ring1][Branch2][N][=C][Ring1][=C][=C][Ring2][Ring1][#Branch1][=C][C][=C][Ring2][Ring2][C][Ring2][Ring1][=C] |
CHEMBL4290645 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][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][=C][Ring1][#Branch1][Cl] |
CHEMBL4290646 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring2][#Branch1][C][C][C][=C][C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][N][=C][C][=C][Ring2][Ring1][C][O][Ring2][Ring1][=Branch1][C][C][Ring2][Ring1][O] |
CHEMBL4290647 | [C][N][Branch1][=C][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C@H1][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][C][Ring1][Ring1] |
CHEMBL4290648 | [O][=C][Branch2][Ring1][=C][N][C][=C][N][=C][C][Branch2][Ring1][C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][Ring1][O][=C][Ring1][P][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl] |
CHEMBL4290734 | [C][C][Branch1][C][C][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][=C][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][=N] |
CHEMBL4290735 | [C][C][C][C][N][C][=C][Branch2][Ring2][Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring2][Ring1][P] |
CHEMBL4290736 | [C][C@@H1][O][C@][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C@H1][Ring1][=Branch2][/C][=C][/C][=C][/C][=C][/C][=Branch1][C][=O][O][C@H1][C][C][C@H1][Branch2][Ring2][S][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Branch2][=C][Ring1][=Branch1][C][Ring1][=N][=O][C][=Branch1][C][=O][C@H1][Branch1][C][O][C@][Branch1][C][C][Branch1][C][O][C][Ring1][=N][O][C@@H1][Ring2][Ring1][#C][C] |
CHEMBL4290737 | [C][C][=C][C][=C][Branch1][S][C][=N][C][Branch1][C][N][=N][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][=C][Ring1][#C] |
CHEMBL4290738 | [C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch2][C][C][Branch1][C][O][C][N][C][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][Ring2][Ring1][=C][=O] |
CHEMBL4290739 | [C][C][=C][C][=C][Branch2][Branch1][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch2][Ring2][Ring2][S][C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][Ring2][Ring1][S][C][#N][C][=C][Ring2][Ring2][Branch2] |
CHEMBL4290740 | [C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][O][C][C][C][C][P+1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring2][O][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][Cl][Cl][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#C][C][C][C@][Ring2][Ring1][Ring1][Ring2][Ring1][Branch2][C][C@@H1][Ring2][Branch1][#Branch2][Ring2][Branch1][#Branch1].[Br-1] |
CHEMBL4290741 | [C][C][=N][N][Branch1][C][C][C][Branch2][Ring1][Branch1][O][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][=C][Ring2][Ring1][C][/C][=N][\O][C][C][=C][Branch1][C][Cl][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][Ring1][=N][C] |
CHEMBL4290742 | [C][C][=C][C][=C][O][C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=N][O][C][C][O][C][C][O][C][C][N][=N+1][=N-1][C][=C][Ring2][Ring1][C][=C][C][=Branch1][C][=O][C][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][=N] |
CHEMBL4290828 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][=N][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
CHEMBL4290829 | [F][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][C][Branch1][=C][C][=C][C][=C][N][=C][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][=N][O][Ring1][=C][C][Branch1][C][Br][=C][Ring2][Ring1][Branch1] |
CHEMBL4290830 | [O][=C][C][=C][Branch2][#Branch1][=N][C][=C][C][=C][Branch2][=Branch1][P][O][C][C][O][C][C][N][C][=C][Branch2][Branch1][S][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][N][Branch2][Ring2][#Branch1][C][C][O][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][Ring1][N][C][=C][Ring2][Ring1][C][N][=N][Ring2][Ring1][=N][N][=N][Ring2][Ring2][N][C][=C][Ring2][Branch1][Branch2][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring2][=Branch1][Ring1][Ring1][#Branch1] |
CHEMBL4290831 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][O][C][=C][C][=N][C][Branch2][Ring1][#C][N][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][=Branch1][C][=O][N][O][C][=C][Ring2][Ring1][Ring1][=N][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][S].[Cl] |
CHEMBL4290832 | [C][N][Branch1][C][C][C][C@@H1][C][=Branch1][C][=O][O][C@@H1][C][C@@][Branch1][C][C][C][C][C@@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][C][C][C][Ring1][=Branch1][C@][Branch1][Branch1][C][O][Ring1][Ring1][C@@H1][Ring2][Ring1][C][C][C@@H1][Ring2][Ring1][=Branch1][Ring2][Ring1][#Branch2].[O][=C][Branch1][C][O][/C][=C][/C][=Branch1][C][=O][O] |
CHEMBL4290833 | [C][C][=C][C][=C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][C][=C][Ring2][Ring1][=C][Ring1][=Branch1] |
CHEMBL4290834 | [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][C][Branch1][=Branch2][C][=Branch1][C][=O][C][C][C][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][C][=Branch1][C][=O][C][C][C][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][C][=Branch1][C][=O][C][C][C][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O] |
CHEMBL4290835 | [C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][=C][Ring1][O][C][C][C][C][N][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][=C][Ring1][O][S][C][=Ring2][Ring1][Ring2][C][Ring2][Ring1][Branch2] |
CHEMBL4290836 | [C][O][C][=C][C][=C][C][Branch2][#Branch1][#Branch1][C][O][C][=C][Branch2][=Branch1][C][C][=C][C][=C][Branch2][Branch1][=Branch1][O][C][C][O][C][C][N][C][=C][Branch2][Ring2][Branch1][C][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][Ring1][N][C][=C][Ring2][Ring1][C][N][=N][Ring2][Ring1][O][C][=C][Ring2][Ring2][#Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring2][P][=O][=C][Ring2][Branch1][#Branch2] |
CHEMBL4290924 | [C][O][C][=C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][Branch1][C][C][C][=Branch1][C][=O][N][N][=C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] |
CHEMBL4290925 | [C][O][C][=C][C][Branch2][Ring2][=N][C][C][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][Branch1][Ring1][O][C][=C][Ring2][Ring2][C] |
CHEMBL4290926 | [C][N][C][Branch2][Ring1][S][C][O][P][=Branch1][C][=O][Branch1][#C][N][C][C][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][N][Branch1][Ring2][C][C][Cl][C][C][Cl][=C][N][=C][Ring2][Ring1][#Branch2][N+1][=Branch1][C][=O][O-1].[I-1] |
CHEMBL4290927 | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Ring1][Branch2][N][C][C][N][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][C][Ring1][#C][N][=C][Ring2][Ring1][Branch1][O][C][=C][Branch1][C][C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=C][Ring1][#C][C] |
CHEMBL4290928 | [C][C@@H1][C][C][Branch1][C][O][C][C][C][C][C][C][C][C@H1][Branch1][=N][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][/C][=C][/C][=Branch1][C][=O][O][Ring2][Ring1][O] |
CHEMBL4290929 | [C][O][C][=Branch1][C][=O][C@@][Branch1][C][C][C][NH1][N][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Ring1][Branch2][C][C@@][Branch1][C][C][C@H1][Ring1][=C][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C@@H1][C@@H1][Branch1][C][C][C@H1][Branch1][C][C][C][C][C@][Ring1][Branch2][Branch1][C][C][C][C][C@][Ring1][=N][Ring2][Ring1][Ring1][C] |
CHEMBL4290930 | [C][C][O][C][=Branch1][C][=O][C][C@H1][Branch2][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][Ring2][=C][Ring1][Branch2][O][C][C][O][Ring1][#Branch1][C][O][C][Branch1][Ring1][C][O][=C][C][=Branch1][C][=O][C][=Ring1][=Branch2][O] |
CHEMBL4291016 | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][Branch2][#Branch1][=Branch2][C][=Branch1][C][=O][N][C@H1][Branch2][=Branch1][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][O][C][Branch1][C][C][C] |
CHEMBL4291017 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CHEMBL4291018 | [C][C][Branch1][C][C][=C][C][C][C@][Branch1][C][C][C@@H1][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][C@@][Branch1][C][C][C][=Branch1][C][=O][C@][Ring1][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Ring1][P][O][C@@H1][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][=Branch2] |
CHEMBL4291019 | [C][C][N][C][=C][Branch2][Ring1][P][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][O][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][Branch1][C][C][=C][Ring1][=N][C][=C][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][O] |
CHEMBL4291020 | [C][C][Branch1][C][C][/C][=Branch1][Ring1][=N][\O][C][=C][C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][F][=C][Ring1][Branch2][=C][C][=C][Ring1][=C][O] |
CHEMBL4291108 | [C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][/C][=C][/C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][Ring2][Ring1][Ring1] |
CHEMBL4291109 | [O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][Ring1][=Branch2][=N+1][Branch1][C][\O-1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4291110 | [C][C][=Branch1][C][=O][C@H1][C@@H1][C][=C][C@@H1][C@H1][C][/C][=C][\C][=Branch1][C][=O][N][C][C][C][C@H1][C][Branch1][C][O][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][/C][=C][/C@@H1][Ring2][Ring1][Ring1][C][C@@H1][Ring2][Ring1][=Branch1][C@H1][Ring2][Ring1][#Branch2][C][C@H1][Ring2][Ring1][=N][C][C][=Branch1][C][=O][N][Ring2][Ring1][C][C] |
CHEMBL4291111 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Ring1][S] |
CHEMBL4291112 | [N][#C][C][=C][C][Branch2][Ring2][=C][N][C][=N][C][Branch1][=C][N][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][=N][C][Branch2][Ring1][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][=N][Ring2][Ring1][=Branch1][=C][C][=N][Ring2][Ring1][=N] |
CHEMBL4291113 | [N][=C][Branch1][C][N][N][C][C][C][N][C][=C][C][=Branch2][Ring2][#Branch1][=C][Branch1][O][N][C][C][C][N][C][=Branch1][C][=N][N][C][S][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=N][N][=C][C][Ring2][Ring1][#Branch2][=Ring1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring2][C][=O] |
CHEMBL4291114 | [O][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][C][C][N][Branch2][Branch1][Branch2][C][C][C][C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][N][C][=Branch1][C][=O][S][/C][=Branch2][Ring1][Branch2][=C][\C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring1][=C][C][Ring2][Ring1][Branch1][=O][C][=C][Ring2][Ring1][N][C][C][Ring2][Ring2][#Branch1] |
CHEMBL4291201 | [O][=C][Branch2][Ring1][C][N][C][C][C][=C][C@H1][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][N][=N][Ring1][P] |
CHEMBL4291202 | [C][C][C][C@H1][Branch1][C][C][N][C][=N][C][=C][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=N][=C][N][Branch1][N][C@H1][C][C][C@H1][Branch1][C][O][C][C][Ring1][#Branch1][C][Ring2][Ring1][=Branch2][=N][Ring2][Ring1][=N] |
CHEMBL4291203 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][NH1][C][=C][Ring1][N][C][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] |
CHEMBL4291204 | [C][C@@H1][O][C][Branch2][Branch1][=Branch1][O][C@H1][C][C][C@][Branch1][C][C][C@H1][C][C@@H1][Branch1][C][O][C@][Branch1][C][C][C@@H1][Branch1][O][C][=C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][C][C@][Ring1][N][Branch1][C][O][C@@H1][Ring2][Ring1][C][C][C][C@@H1][Ring2][Ring1][#Branch1][C][Ring2][Ring1][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring2][Ring2][O] |
CHEMBL4291205 | [C][S][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@H1][Branch3][Ring1][Branch2][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch3][Ring1][Branch1][=C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][S][Branch2][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][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][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O][C][Branch1][C][C][C] |
CHEMBL4291206 | [C][C][=C][C][=C][C][N][=C][Branch1][#C][N][/N][=C][\C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][C][Ring2][Ring1][Ring1][=Ring1][#C] |
CHEMBL4291207 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][Branch2][Ring1][O][C][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][O][C][C][C][C][N][Branch1][C][C][C][C][=C][Ring1][P][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][=N][Ring1][=Branch1] |
CHEMBL4291208 | [O][=C][Branch2][Ring1][N][/C][=C][/C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][S] |
CHEMBL4291282 | [C][C][C][C][C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=Branch2][C][Branch1][C][O][C][Branch1][C][C][Branch1][C][O][C][C][Ring1][=Branch2] |
CHEMBL4291283 | [C][C][=C][C][Branch2][Ring1][O][S][C][C][=N][N][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][S][Ring1][=C][=N][C][Branch2][Ring1][O][S][C][C][=N][N][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][S][Ring1][=C][=N][Ring2][Ring2][=Branch1] |
CHEMBL4291284 | [C][O][C][=C][Branch1][C][O][C][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][O][C@@H1][O][C@H1][Branch2][Ring1][#Branch1][C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][=Branch1][O][C][Ring2][Ring1][N][=O] |
CHEMBL4291285 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=N][C][C][=C][Branch2][Ring1][#Branch2][C][Branch1][N][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][S][C][Ring2][Ring1][#Branch2][=Ring2][Ring1][=Branch1] |
CHEMBL4291286 | [C][C][O][C][=Branch1][C][=O][C][C@@H1][C][C][C][=Branch1][C][=O][/C][Ring1][=Branch1][=C][/C][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4291287 | [Cl][C][=C][C][=C][Branch1][=C][C][O][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][Branch1][C][Cl][=C][Ring1][S] |
CHEMBL4291364 | [N][#C][C][Branch1][Ring1][C][#N][=C][Branch1][O][/C][=C][/N][C][C][O][C][C][Ring1][=Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2] |
CHEMBL4291365 | [Cl].[O][=C][NH1][C][=C][C][=C][Branch2][Ring1][Branch1][C][=N][N][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring1][=C][C][=C][Ring2][Ring1][Ring2][NH1][Ring2][Ring1][#Branch1] |
CHEMBL4291366 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=C][\C][C][C][/C][=Branch2][Ring1][C][=C][\C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][Ring1][P][=O] |
CHEMBL4291367 | [C][C][Branch1][C][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] |
CHEMBL4291368 | [F][C][Branch1][C][F][C][=C][C][=C][C][Branch2][Ring2][N][C][=N][C][Branch1][S][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][=N][C][Branch1][S][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][=N][Ring2][Ring1][Branch2][=N][Ring2][Ring1][=C] |
CHEMBL4291369 | [O][=C][Branch1][N][C][C][=C][NH1][C][=Branch1][C][=O][C][=Ring1][#Branch1][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] |
CHEMBL4291370 | [C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring2][#Branch2][C][=C][N][Branch1][C][C][C][=N][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][C][C][C][Ring2][Ring1][N] |
CHEMBL4291446 | [C][O][C][=C][C][Branch2][Ring2][C][O][C][=N][C][Branch2][Ring1][C][O][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][C][F][C][=C][Ring1][S][F][=C][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][C][N][=C][Ring1][Branch2][=C][Ring2][Ring1][S] |
CHEMBL4291447 | [C][O][C][=Branch1][C][=O][C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Ring1][P][C][Branch2][Ring1][Branch1][C][=C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1][=N][Ring2][Ring1][P] |
CHEMBL4291448 | [C][/C][=C][Branch2][#Branch1][Branch2][\N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][P][N][C][=Branch1][C][=O][C@H1][Branch1][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][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL4291449 | [C][C][Branch1][C][C][C@@H1][C][C][C@@][Ring1][=Branch1][Branch1][C][C][/C][=Branch2][Ring1][=Branch1][=N][/N][=C][\S][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1] |
CHEMBL4291450 | [C][C][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=N][Ring1][=N][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=C] |
CHEMBL4291451 | [C][O][C][=C][C][Branch2][Ring2][#Branch2][C][=C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][N][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][O][Ring2][Ring1][Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][S][O][C] |
CHEMBL4291452 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring2][Ring1][=Branch2][=O] |
CHEMBL4291453 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][P][N][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][=C][Ring1][O][C][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring2][C] |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.