chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL4239907 | [O][=C][Branch1][=C][/C][=C][/C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CHEMBL4239910 | [C][C][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][=N][C][C][Ring2][Ring1][Branch1][C] |
CHEMBL4239912 | [O][=C][Branch1][C][O][C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][O][C][C][=C][C][=C][C][Branch2][Ring1][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][=C] |
CHEMBL4239917 | [C][C][C][C][N][Branch2][Ring2][S][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N][C][C][Ring2][Ring2][Ring1] |
CHEMBL4240170 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][C][=C][C][=C][C][Branch1][#Branch2][N][C][C][O][C][C@@H1][Ring1][=Branch1][C][=N][C][Branch1][C][C][=N][C][Ring1][=C][=N][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][C][O] |
CHEMBL4240172 | [C][O][C][=C][C][=C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=N][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O] |
CHEMBL4240179 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch2][Ring1][#Branch1][C][C][C][C][N][C][C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][O] |
CHEMBL4240181 | [C][C][Branch1][C][C][C][C][N][C][=N][N][=N][C][=C][Ring1][=Branch1][S][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=Branch1][=Branch1][=C][Ring1][N][Ring1][#C][C][C][C][C][Ring1][#Branch1] |
CHEMBL4240465 | [O][=C][Branch1][Ring2][N][C][Br][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1] |
CHEMBL4240466 | [O][=C][C][=C][NH1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][O][=N][N][Ring1][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4240467 | [O][=C][Branch1][P][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][O][C][C@@H1][Branch1][C][O][C][C][Branch2][Ring1][=Branch1][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Ring2][Ring1][#Branch1][O] |
CHEMBL4240475 | [C][C][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C@H1][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][C][C][=C][S][C][=Ring1][Branch1] |
CHEMBL4240484 | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][C][C][S][C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][Ring1][#Branch2] |
CHEMBL4240489 | [Cl][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=N+1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][N][Ring1][P][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=N+1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][Ring2][Ring1][Branch1].[Br-1].[Br-1] |
CHEMBL4240492 | [C][C][C@H1][Branch1][C][C][C@@H1][N][C][=Branch1][C][=O][C][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][C@@H1][Branch2][=Branch1][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][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][Branch1][C][N][=O][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][Ring2][=Branch1][Branch2][=O] |
CHEMBL4240499 | [C][N][C][=C][Branch2][Branch1][Branch1][N][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][Ring2][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=N][C][=N][Ring2][Ring2][Branch1] |
CHEMBL4240500 | [C][C][C][C][O][C][O][C][=Branch1][C][=O][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4240501 | [C][C][=Branch1][C][=O][/C][Branch1][C][C][=N][/O][C][C][=C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][N][Ring1][#Branch1] |
CHEMBL4240779 | [C][N][C][=C][Branch2][Ring2][N][C][=C][Branch2][Ring1][#Branch2][C][=C][N][Branch1][O][C][C][C][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][O][C][Ring2][Ring1][Branch2][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring2][C] |
CHEMBL4240782 | [C][C][=C][C][=C][Branch2][Ring1][P][N][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=Branch1][#C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][Ring2][Ring1][C][=O][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4240793 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch1][S][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@][Branch1][C][C][C][C][C][/C][=C][\C][C][C][C@@][Branch1][C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][Ring2][Branch1][#Branch2][=O] |
CHEMBL4240794 | [N][#C][C][=C][C][=C][Branch2][=Branch1][P][C][O][C][=C][C][=C][Branch2][=Branch1][Ring1][C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring2][=C][C][=C][Ring2][Branch1][=Branch1] |
CHEMBL4240797 | [C][O][C][=C][C][Branch2][Ring1][=Branch2][N][C][=N][C][Branch1][C][C][=C][C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][#C][=C][C][=C][Ring2][Ring1][=Branch1][F] |
CHEMBL4240798 | [C][O][C][=C][C][Branch1][S][/C][=C][/C][=Branch1][C][=O][N][C][C][C][=C][C][Ring1][=Branch1][=O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1][O] |
CHEMBL4241067 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][=N][C][Branch1][C][Cl][=C][C][Branch2][Ring1][=Branch1][O][C][=C][C][=C][Branch1][O][O][C][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C][=N][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL4241068 | [C][#C][C][O][C][=Branch1][C][=O][C@@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1] |
CHEMBL4241069 | [C][C][C][C@@H1][Branch2][Ring2][C][N][C][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1][C][C][C][Ring1][Ring1] |
CHEMBL4241073 | [O][=C][C][Branch1][C][O][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][C][N][Ring1][S][Ring1][Branch1] |
CHEMBL4241074 | [O][=S][=Branch1][C][=O][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] |
CHEMBL4241311 | [C][O][C][=C][C][Branch2][Ring1][=C][C][=C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][#C][=O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch2][O] |
CHEMBL4241316 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][C][N][Branch2][Ring2][Ring2][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=N] |
CHEMBL4241320 | [C][N][Branch2][Ring1][Branch1][C][=C][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2] |
CHEMBL4241321 | [C][O][C][=C][C][=C][Branch2][Ring2][O][C][=C][N][C][=C][Branch1][N][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring2][Ring1][Branch1][=N][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C] |
CHEMBL4241331 | [C][O][C][=C][C][=C][Branch1][O][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][Ring1][=C][=O] |
CHEMBL4241623 | [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@H1][Branch2][=Branch1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O][C@@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][C][C][C] |
CHEMBL4241625 | [O][=C][Branch1][#Branch1][O][C][C][C][C][Br][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O] |
CHEMBL4241627 | [C][C][=C][C][Branch1][C][C][=C][N][=C][C][Branch1][C][Br][=C][C][Branch1][C][Br][=C][Branch1][C][O][C][Ring1][=Branch2][=N][C][Ring1][=N][=C][Ring2][Ring1][C] |
CHEMBL4241628 | [C][=C][C][O][C][=C][Branch1][Ring2][O][C][C][C][=C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][C][=Ring1][=C][C][N][Branch1][=Branch2][/C][=C][/C][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4241632 | [O][=C][Branch2][Ring1][#Branch1][N][C][C][C][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2] |
CHEMBL4241633 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C@@H1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C@@H1][Ring1][P][O] |
CHEMBL4241914 | [C][C][=C][C][=C][Branch2][Ring2][Ring2][/C][=C][/C][=N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][N][Ring1][Branch2][C][C][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][O][C][=C][Ring2][Ring1][=N] |
CHEMBL4241915 | [C][C][Branch1][C][C][C][C][C][C@][Branch1][C][C][Branch2][Branch1][C][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][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][O][C][=Branch1][C][=O][C][C@][Ring1][S][Ring2][Ring1][=Branch1][C][O][Ring2][Ring2][C] |
CHEMBL4241916 | [N][C][=Branch1][C][=O][C][=C][N][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][N][C@@H1][C][C@H1][C][C][C@@H1][Ring1][=Branch1][C][Ring1][Branch1] |
CHEMBL4241920 | [C][=C][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch2][Ring2][Branch2][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch2][Ring1][Branch1][O][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][=N][Ring2][Ring1][#Branch1][C][Ring2][Ring1][N] |
CHEMBL4241923 | [O][=S][=Branch1][C][=O][Branch2][Ring1][O][N][C][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][C][=N][C][=C][C][=C][Ring1][P][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
CHEMBL4242158 | [C][O][C][=Branch1][C][=O][C@@H1][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Ring2][Ring1][Ring1] |
CHEMBL4242159 | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] |
CHEMBL4242161 | [C][C][=C][C][Branch2][Ring2][=C][S][C][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][C][=C][C][=C][Branch2][Ring1][C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2][C][=C][Ring1][#C][=C][C][=C][Ring2][Ring1][S][O][C][C][=Branch1][C][=O][O] |
CHEMBL4242163 | [C][C][N][Branch1][Ring1][C][C][C][C][C][C][N][Branch2][Ring2][Ring2][C][=N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=N][S][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch2] |
CHEMBL4242423 | [C][C][Branch1][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=Ring1][O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] |
CHEMBL4242425 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][Branch1][C][C][C][=C][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][C][=C][Ring2][Ring1][Ring2][F] |
CHEMBL4242426 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=C][Branch1][=N][N][C][C][C][C][C][C][=Branch1][C][=O][N][O][C][=Branch1][C][=O][C][Ring1][#C][=O][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4242428 | [C][C@][C][C][C@H1][C@@H1][Branch2][Ring1][P][C][C][=C][C][C@@H1][Branch1][P][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][C][C][C@@][Ring1][S][Ring2][Ring1][Ring2][C][C@@H1][Ring2][Ring1][=Branch2][C][C][Branch1][Ring1][C][=O][=C][Ring2][Ring1][=C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] |
CHEMBL4242430 | [O][=C][Branch1][=C][C][=C][C][=C][C][=C][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Ring2][Ring1][C] |
CHEMBL4242692 | [C][O][C][=C][C][Branch1][C][O][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][O][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][#C][=C][Branch1][C][C][C][Ring2][Ring1][S][=Ring2][Ring1][Branch2] |
CHEMBL4242696 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][C][=C][Ring1][O][O] |
CHEMBL4242697 | [Cl][C][=N][C][Branch2][Ring1][Ring1][N][C][C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=N][Ring2][Ring1][N] |
CHEMBL4242698 | [C][O][C][=C][C][=C][Branch2][Ring1][P][C][C][=C][Branch2][Ring1][=Branch1][C][N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][=N][Ring1][N][O][N][=Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][O][C] |
CHEMBL4242986 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Ring2][N][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][N][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][=N] |
CHEMBL4242999 | [Br].[N][C][=Branch1][C][=O][C][=C][N][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][Branch1][C][O][Branch1][Ring2][C][Ring1][#Branch1][C][Ring1][#Branch2] |
CHEMBL4243000 | [C][C][Branch1][C][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][S][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][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][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][O] |
CHEMBL4243006 | [C][C][Branch1][C][C][O][C][O][C][=Branch1][C][=O][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4243009 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][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][C][=C][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][#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][=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][=O][O][C][=Branch1][C][=O][O] |
CHEMBL4243010 | [C][C][Branch1][C][C][Branch1][C][C][C][O][C][O][C][=Branch1][C][=O][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4243011 | [C][=C][C][O][C][=Branch1][C][=O][C@@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1] |
CHEMBL4243267 | [C][C][C][C][C][C][C][C][C][C@@H1][C][C@H1][Branch1][C][O][C@H1][C][N][Ring1][#Branch1][O][C@@H1][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4243271 | [C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][Si][Branch1][C][C][Branch1][C][C][O][C][=C][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4243275 | [C][C@@H1][Branch1][C][O][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][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][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C@@H1][Branch1][C][C][O][C][C][N][C][Ring2][#Branch1][=C][=O] |
CHEMBL4243283 | [C][O][C][=C][C][=C][Branch2][Branch1][Branch1][C][=C][C][=C][O][C][C][=C][C][=Branch1][C][=O][N][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][N][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][S][C][=Ring2][Ring1][#Branch1][C][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][=C][C][=N][Ring2][Ring2][Ring2] |
CHEMBL4243287 | [O][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][NH1][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][Ring1][#Branch2][=C][Ring1][=C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Ring2][Ring1][C] |
CHEMBL4243291 | [C][C][C@H1][Branch1][C][C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][S][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][=C][N][C][=Branch1][C][=O][C@H1][Branch1][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][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=O][C][S][S][C][C@@H1][Branch2][#Branch1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][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][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][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][Ring2][O][=C][=O] |
CHEMBL4243292 | [C][C][=C][C][Branch1][C][Br][=C][Branch2][Ring1][O][N][C][=N][C][Branch1][C][N][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][#C][C][Branch1][C][Br][=C][Ring2][Ring1][Branch2] |
CHEMBL4243293 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][#C] |
CHEMBL4243561 | [C][C][N][C][=Branch1][C][=N][C][=C][C][=C][C][=C][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][C][=C][Branch1][Branch2][C][=Branch1][C][=N][N][C][C][C][=C][Ring1][O][NH1][Ring1][=C][C][=C][Ring2][Ring1][Ring2][NH1][C][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][=N] |
CHEMBL4243567 | [C][C@@H1][Branch2][Ring2][N][N][C][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][C][=C][Branch1][=Branch2][C][=C][C][N][C][C][Ring1][=Branch1][C][=C][C][=C][Ring2][Ring1][=Branch2][Ring1][N][C][C][C][Ring1][Ring1] |
CHEMBL4243577 | [C][C@@H1][Branch2][Ring2][#Branch2][N][C][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][C][=C][Branch1][#Branch1][C][C][N][C][Ring1][Ring2][C][=C][C][=C][Ring2][Ring1][#Branch1][Ring1][#Branch2][C][C][C][Ring1][Ring1] |
CHEMBL4243579 | [O][=S][=Branch1][C][=O][Branch1][#C][C][=C][C][=C][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][C@H1][Ring1][Branch1][C][C][N][C][C][N][Branch1][=C][C][=N][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][#C] |
CHEMBL4243845 | [C][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][NH1][C][=N][C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][N][=C][O][Ring1][Branch1][=N][C][Branch1][#C][N][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][Ring1][Branch2][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][#Branch2] |
CHEMBL4243848 | [O][=S][=Branch1][C][=O][Branch1][#C][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][C@@H1][Ring1][Branch1][C][C][N][C][C][N][Branch1][=C][C][=C][C][=C][C][S][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C] |
CHEMBL4243855 | [C][C][C][Branch1][C][C][C][C][C][C][C][=C][O][C][=Branch1][C][=O][C][Branch1][C][C][=C][Ring1][Branch2][O][C] |
CHEMBL4243856 | [C][C][N][C][C][N][Branch2][Ring1][=C][C][Branch1][C][C][C][=C][C][=C][Branch1][Ring2][O][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O][C][C][Ring2][Ring1][#Branch1] |
CHEMBL4243859 | [C][C][Branch1][C][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][N][Ring1][O][O][C][=C][Ring2][Ring1][C][C][#N] |
CHEMBL4243860 | [C][C][Branch1][C][C][C][C@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][Branch2][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][S][S][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][=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][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C] |
CHEMBL4244117 | [C][C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][S][C][=Ring1][#C][C][=C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][N] |
CHEMBL4244123 | [O][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][N][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4244126 | [C][C][=C][C][=Branch2][Ring1][C][=N][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][=C][Ring1][#Branch2][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][Ring2][Ring1][=Branch1].[Cl] |
CHEMBL4244129 | [O][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4244395 | [O][=C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][O][=C][Ring1][#Branch2][O][Ring1][#C] |
CHEMBL4244401 | [C][C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][S][C][=Ring1][#C][C][=C][C][=N][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][=N][Ring1][N] |
CHEMBL4244405 | [C][C][=Branch1][C][=O][N][N][=C][Branch2][Ring2][C][N][C][=N][C][=Branch1][C][=O][/C][=Branch2][Ring1][Ring1][=C][/C][=C][/C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][S][Ring2][Ring1][C][S][C][Ring2][Ring1][Branch2][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4244406 | [C][C][=N][C][Branch2][Ring2][#Branch2][C][#C][C][=C][N][=C][C][Branch2][Ring1][N][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][C][C][C][C][C][C][C][C][C][C][N][=N+1][=N-1][=C][Ring2][Ring1][=N][=C][S][Ring2][Ring2][Ring2] |
CHEMBL4244409 | [C][C][O][P][=Branch1][C][=O][Branch2][Ring1][#Branch2][C][C][N][N][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][O][C][C] |
CHEMBL4244699 | [C][C][=Branch1][C][=O][/C][Branch1][C][C][=N][/O][C][C][=C][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] |
CHEMBL4244705 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][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][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring1][Ring1] |
CHEMBL4244708 | [C][/C][=C][\C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][Branch1][C][C][=N][C][=N][O][C][Branch1][C][N][=C][Ring1][O][Ring1][=Branch1][C][=C][Ring1][P][C][=C][Ring2][Ring1][O] |
CHEMBL4244712 | [C][C][O][C][=Branch1][C][=O][/C][=Branch2][Ring2][C][=N][/N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][C][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4244717 | [C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][=N][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][=C][C][=C][NH1][C][=N][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=C][S][Ring1][=C][=C][Ring2][Ring1][Branch2] |
CHEMBL4245035 | [C][C][C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][Branch1][C][O][C][=Branch1][C][=O][N][Ring1][P][C][C][Branch1][C][C][C] |
CHEMBL4245036 | [N][#C][C][=C][C][=C][Branch2][Ring2][#Branch1][N][C][C][C][N][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][C][Ring2][Ring1][Branch1][N][=C][Ring2][Ring1][N] |
CHEMBL4245037 | [C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][NH1][C][=C][Branch1][C][C][C][Ring1][=N][=Ring1][=Branch1][=C][Ring2][Ring1][Ring1][C] |
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