chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL4278517 | [N][C][=N][C][=C][Branch2][Ring1][=Branch2][C][=C][N][=C][C][Branch1][#C][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=C][Ring1][S][C][=N][Ring2][Ring1][=Branch1] |
CHEMBL4278518 | [C][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=N][C][=N][Ring1][P] |
CHEMBL4278519 | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O] |
CHEMBL4278601 | [Cl][C][=C][C][=C][Branch2][Ring1][P][C][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring1][N][C][=Ring1][#C][C][N][C][C][O][C][C][Ring1][=Branch1][N][=C][Ring2][Ring1][N] |
CHEMBL4278602 | [C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=N][C][Branch1][Ring1][C][O][=C][S][Ring1][#Branch1][C][=C][Ring1][S] |
CHEMBL4278603 | [C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][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@@H1][Branch1][#Branch2][C][C][=C]... |
CHEMBL4278604 | [C][O][C][=C][C][=C][Branch2][Branch1][#Branch2][C][=C][C][Branch2][Ring2][#C][C][=C][C][=C][Branch2][Ring2][Ring1][O][C@H1][O][C@@H1][O][C@@][Branch1][C][C][C][C][C@H1][C@H1][Branch1][C][C][C][C][C@@H1][Branch1][Branch1][C@H1][Ring1][#C][C][C@][Ring1][=Branch2][Ring1][#C][O][O][Ring1][#C][C][=C][Ring2][Ring1][#Branch2... |
CHEMBL4278605 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=N][C][=N][C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][=C][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][#C][=C][Ring2][Ring1][#Branch2][Ring2][Ring1][=Branch1] |
CHEMBL4278606 | [C][C][=C][S][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][Cl][=N][Ring1][O][=N][Ring2][Ring1][Ring1] |
CHEMBL4278689 | [C][O][C][=C][C][Branch2][Ring2][#C][/C][=C][/C][=Branch1][C][=O][O][C][C@H1][O][C@H1][C][=C][Branch1][#C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][O][C][=Branch1][C][=O][O][C@@H1][Ring1][#C][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring1][Ring2][O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][R... |
CHEMBL4278690 | [C][C][C][S][C][=C][C][=C][C][=Branch1][=Branch1][=C][C][Ring1][#Branch1][=O][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][Ring2][Ring1][Branch2] |
CHEMBL4278691 | [C][C@][C][C@@][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C@@][Branch1][C][C][Branch2][Ring1][O][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][#Branch2][O][C@@H1][Ring2][Ring1][=C][C@H1][Branch1][#Branch2][C][C... |
CHEMBL4278692 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][N][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=N][=O][C][C][Branch1][C][O][Branch1][#Branch1][C][=Branch1][C][=O][C][O][C][C@@H1][Ring1][S][O][C@H1][C][C@H1][Branch1][C][N][C@H1][Branch1][C][O][C@H1][Branch1][C][... |
CHEMBL4278693 | [O][=C][Branch1][#C][N][/N][=C][/C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][=C][C][=C][Branch1][#C][O][C][=C][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Ring1][S] |
CHEMBL4278694 | [C][N][Branch2][Ring2][#C][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][Cl][=C][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][F][C... |
CHEMBL4278695 | [C][C][C][C][N][C][S][C][=Branch1][C][=S][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][Ring1][O] |
CHEMBL4278696 | [C][C][C][C][C][N][Branch2][Ring1][Branch2][C][C][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][=C][C][Branch1][C][C][=O] |
CHEMBL4278697 | [C][O][C][=C][C][=C][Branch2][Branch1][#Branch2][O][C][=C][C][=C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl][C][Ring2][Ring1][Branch1][=O][C][=C][Ring2][... |
CHEMBL4278777 | [O][=C][Branch1][C][O][C][=C][C][=N][C][Branch2][Ring1][Branch1][N][N][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][O][=C][Ring2][Ring1][Ring2] |
CHEMBL4278778 | [C][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][C][=C][C][=C][Branch2][Ring1][=C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4278779 | [C][C][=N][C][=C][Branch1][C][C][C][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Branch1][C][N][O][C][Ring2][Ring1][Ring2][=Ring1][#C] |
CHEMBL4278780 | [C][N][Branch1][#C][C][/C][=C][/C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1].[Cl] |
CHEMBL4278781 | [O][=C][Branch1][C][O][C][C][=C][C][=C][Branch2][Ring2][N][N][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][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][P] |
CHEMBL4278782 | [C][C][C][C][C][Branch2][Ring2][=Branch2][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][C][O][C][=N][O][N+1][Branch1][C][O-1][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][S][=C][C][C][C][Ring2][Ring2][Ring2][C][C][C][Branch1][C][C][C][=C][B... |
CHEMBL4278783 | [C][C][C][C][C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][S][Ring1][=N][C][Ring2][Ring1][=Branch1] |
CHEMBL4278784 | [C][C][C][O][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] |
CHEMBL4278860 | [C][C][N][C][=C][Branch2][Ring2][#Branch2][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Ring1][Ring2][=C][C][=C][Ring1][=C][N][Branch1][C][C][C][Ring2][Ring1][Ring2][=O][C][=N][Ring2][Ring1][O] |
CHEMBL4278861 | [C][C][=C][C][Branch1][#C][O][C][=N][C][=C][C][O][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][=C][C][=C][Ring1][S][N][C][Branch1][C][C][=N][C][=C][N][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] |
CHEMBL4278862 | [C][C][Branch1][C][C][N][C][C][N][Branch2][Ring2][Ring1][C][C][Branch1][C][C][Branch1][C][O][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#C][S][Ring2][Ring1][=Branch2][=Branch1][C][=O][=O] |
CHEMBL4278863 | [C][N][C][=N][C][Branch1][S][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=N][Ring1][=Branch2][=C][Ring1][=C][Br] |
CHEMBL4278947 | [O][=C][N][C][=Branch1][C][=S][S][/C][Ring1][=Branch1][=C][\C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O] |
CHEMBL4278948 | [C][C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=S][S][C][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Ring1][S] |
CHEMBL4278949 | [O][=C][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][Ring2][Ring1][Ring1] |
CHEMBL4278950 | [C][O][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][=C][N][Ring1][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4279026 | [C][C][=C][C][Branch2][Ring2][=Branch1][C][=N][C][Branch1][C][F][=C][C][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Branch1][C][N][O][C][Ring2][Ring1][Ring2][=Ring1][#C][=C][C][=N][Ring2][Ring1][#Branch2] |
CHEMBL4279027 | [O][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch2][Ring1][=N][O][C][C][O][C][C][O][C][C][N][C][=C][Branch1][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][=N][=C][C][=C][Ring2][Ring2][=Branch1][Ring2][Ring1][N] |
CHEMBL4279028 | [C][O][C][=C][C][Branch1][N][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][#C][O] |
CHEMBL4279029 | [O][=C][Branch1][C][O][C][=C][C][=N][C][Branch2][Ring1][=Branch1][C][=C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=N][Ring1][=N][=C][Ring2][Ring1][Ring1] |
CHEMBL4279030 | [C][O][C][=C][C][=C][Branch2][Branch1][C][C][=C][C][Branch2][Ring1][#Branch1][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring2][Ring1][=N][Ring1][O][C][=C][Ring2][Ring2][Ring... |
CHEMBL4279031 | [F][C][=C][C][=C][Branch2][Branch1][P][C@H1][C][C@H1][Branch2][Branch1][#Branch1][N][C][=N][C][Branch2][Ring1][Branch1][N][C@H1][C][C@H1][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][O][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N... |
CHEMBL4279032 | [O][/N][=C][Branch1][#Branch2][\C][C][=C][C][=C][C][=C][Ring1][=Branch1][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] |
CHEMBL4279117 | [O][=C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][N][C][C][C][Branch1][P][C][=N][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S] |
CHEMBL4279118 | [C][N][N][=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] |
CHEMBL4279119 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C@@H1][C][Branch1][C][O][O][C@@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring1][=Branch2] |
CHEMBL4279120 | [C][N][C][=N][C][Branch1][S][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=N][Ring1][=Branch2][=C][Ring1][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4279121 | [O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][Branch1][C][O][=C][Ring2][Ring1][Branch1][C][=C][C][=C][Branch1][=Branch1][C][=... |
CHEMBL4279197 | [C][Si][Branch1][C][C][Branch1][C][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][O][C][=Ring1][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] |
CHEMBL4279198 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][C][=C][Branch1][Ring1][C][#N][C][Branch2][Ring1][#Branch2][N][C][C@@][C][C@H1][C][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][C@H1][Branch1][C][N][C@H1][Branch1][Ring2][C][Ring1][Branch2][C][Ring1][O][=N][Ring2][Ring1][Branch1] |
CHEMBL4279199 | [O][=C][Branch2][Ring1][Ring1][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O][C][=C][N][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1] |
CHEMBL4279200 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][O][C][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C][C][=C][... |
CHEMBL4279201 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][N][Branch1][#C][C][=Branch1][C][=O][C][S][C][=C][N][=N][C][Ring1][Branch1][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Ring2][Ring1][=C] |
CHEMBL4279202 | [C][C][=C][C][=C][Branch2][Ring2][Ring2][C@@H1][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C@@H1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2][Ring1][=Branch2][O][Ring2][Ring1][=Branch2] |
CHEMBL4279203 | [C][C][C][=Branch1][C][=O][N][C][C][C][O][C@H1][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][C][C][C][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring1][#Branch2][O][C@][Branch1][C][C][Branch1][C][O][C][C@@H1][Branch1][C][C][C][N][Branch1][C][C][C@H1][Branch1][C][C][C@@H1][Br... |
CHEMBL4279291 | [C][C][C][Branch1][Ring1][C][C][O][C@@H1][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C@H1][Branch1][C][N][C@H1][Ring2][Ring1][Ring1][N][C][Branch1][C][C][=O] |
CHEMBL4279292 | [N][/C][=Branch1][Ring1][=N][\O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] |
CHEMBL4279293 | [C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][C][=C][C][=C][S][Ring1][Branch1] |
CHEMBL4279294 | [C][=C][N][Branch2][Ring1][=N][C][=C][C][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][=N][N][=N][NH1][Ring1][Branch1][C][=C][Ring1][O][N][=C][Ring1][P][C][=N][Ring2][Ring1][=Branch1] |
CHEMBL4279295 | [C][N][C][=N][C][=C][Branch2][Ring1][P][C][=C][N][=C][C][Branch2][Ring1][Branch1][O][C@H1][Branch1][C][C][C][=C][Branch1][C][Cl][C][=C][C][Branch1][C][F][=C][Ring1][Branch2][Cl][=C][Ring2][Ring1][C][C][=N][Ring2][Ring1][Branch2] |
CHEMBL4279296 | [C][C][N][Branch1][Ring1][C][C][C][C].[C][C][N][Branch1][Ring1][C][C][C][C].[C][O][/N][=C][/C][=C][N][Branch2][=Branch1][Ring2][C@@H1][O][C@H1][Branch2][Branch1][Branch1][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C@H1][O][C@@H1][Branch1][=... |
CHEMBL4279381 | [C][O][C][=C][C][=C][C][C][=C][Branch1][S][C][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][O][C][Ring2][Ring1][C][=Ring1][=C] |
CHEMBL4279382 | [C][C][N][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][S][Ring1][=Branch2][=C][Branch2][Ring1][=C][C][=C][C][=N][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][N][C][C][C][C][Ring1][Branch1][C][N][Branch1][C][C][C][Ring1][Branch2][C][=N... |
CHEMBL4279383 | [C][C][C][C][C][=N][NH1][C][=C][Ring1][Branch1][C][Branch2][Ring1][#Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][N][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][O][Ring2][Ring1][Branch1] |
CHEMBL4279384 | [C][N][Branch1][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch2][O][C][C][N][Branch1][C][C][C][=C][Ring1][N][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][O][C][C][N][Branch1][C][C][C][C][C][Ring2][Ring2][=Bran... |
CHEMBL4279385 | [O][=C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N] |
CHEMBL4279386 | [C][O][C][=Branch1][C][=O][/C][Branch1][Ring1][C][#N][=C][\S][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4279387 | [C][C][C][C][N][C][=Branch1][C][=N][C][=C][C][=C][Branch2][Ring2][C][C][N][C][C][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=N][N][C][C][C][C][C][=C][Ring1][=N][C][C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][O].[Cl].[Cl].[Cl].[Cl] |
CHEMBL4279467 | [C][O][C][=C][C][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][N][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][=C][Ring1][#C][C][=C][Ring2][Ring1][Ring1][O][C][C][C][N][C][C][C][C][Ring1][Branch1] |
CHEMBL4279468 | [C][C@@H1][C][C][C@H1][C@@H1][Branch1][C][C][C@@H1][Branch2][#Branch1][Branch1][C][C][=Branch1][C][=O][N][C][C][N][Branch2][=Branch1][Ring2][C][=C][C][=C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][O][N][C][C][C][C][O][C][C][Ring1][=Branch1][C][Branch1][=... |
CHEMBL4279469 | [C][C][Branch1][C][C][C@H1][Branch2][Branch1][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C@@H1][Branch1][N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][S][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N... |
CHEMBL4279470 | [C][O][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][C][=N][N][Branch1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][=Ring1][=N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1][O][C] |
CHEMBL4279471 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=N][C][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][=N][C][C][N][Ring1][#Branch1][=C][Ring2][Ring1][=Branch1] |
CHEMBL4279472 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][Branch2][Ring2][Branch2][O][C][=C][C][=N][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][=N][=C][Ring2][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][P][Ring2][Ring1][=N].[Cl].[Cl] |
CHEMBL4279473 | [C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring1][P] |
CHEMBL4279553 | [C][O][C][=C][C][Branch2][Ring1][S][C][=Branch1][C][=O][O][C][C][N][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][=N] |
CHEMBL4279554 | [C][C][=C][C][Branch2][Branch1][=Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][O][C][C@@H1][C][C][C][N][C][Ring1][=Branch1][=O][C@H1][O][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][=Branch2]... |
CHEMBL4279555 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][N][C][C][C][O][C][C][Ring1][#Branch1] |
CHEMBL4279556 | [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][C][Branch1][C][F][=C][Ring1][#Branch1] |
CHEMBL4279557 | [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][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] |
CHEMBL4279644 | [C][C][O][C][=C][C][=C][Branch1][=N][/C][=C][\N][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][C][Branch1][C][Cl][=C][Ring1][#C][O][C] |
CHEMBL4279645 | [O][=C][C@@H1][C@H1][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][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][C@@H1][C][C@H1][Ring2][Ring1][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch1][O] |
CHEMBL4279646 | [C][N][N][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][Branch2][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][=C][Ring1][N][=N][C][=C][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][#Branch1] |
CHEMBL4279647 | [2H][C][Branch1][C][2H][Branch1][C][2H][C][=C][Branch1][C][C][C][=Branch1][C][=O][C][Branch2][Ring1][P][C][C][C@][Branch1][C][C][Branch1][C][O][C][C][C][C@H1][Branch1][C][C][C][C][C][C@H1][Branch1][C][C][C][C][C][C][Branch1][C][C][C][O][=C][Branch1][=Branch2][C][Branch1][C][2H][Branch1][C][2H][2H][C][Ring2][Ring2][C][=... |
CHEMBL4279648 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#C][N][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][=C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][N][O][C][C][C][N][C][C][C][C][Ring1][Branch1] |
CHEMBL4279649 | [C][C][=C][C][Branch2][Ring1][#Branch1][S][C][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][N][=N][C][Branch2][Ring1][#Branch1][S][C][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][N][=N][Ring2][Ring2][C] |
CHEMBL4279650 | [C][O][C][=Branch1][C][=O][C][C][C][C][C][=Branch1][C][=O][/C][Ring1][=Branch1][=C][/C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4279739 | [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][Branch2][O][C][=Branch1][C][=O][C][Cl][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@@H... |
CHEMBL4279740 | [C][C][Branch1][C][C][C][Branch2][Branch2][=C][/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][N][C... |
CHEMBL4279741 | [C][O][C][=C][C][=C][Branch2][Branch1][=Branch1][C][=Branch1][C][=O][/C][=C][/C][C][=C][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][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][N][=Ring2][Ring1][O][C][=C... |
CHEMBL4279742 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][C][S][C][=C][C][=Ring1][Branch1][Ring1][O] |
CHEMBL4279743 | [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][=C][Ring1][=Branch1] |
CHEMBL4279744 | [C][C][#C][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C@H1][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][O][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4279745 | [C][O][C][=Branch1][C][=O][C@@][Branch1][C][C][C][C][C@][Branch1][C][C][C][C][C@][Branch1][C][C][C][=Branch2][Ring2][P][=C][C][=Branch1][C][=O][C@@H1][C@@][Branch1][C][C][C][C][=C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][N][=C][Ring1][=Branch2][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][S][C][C... |
CHEMBL4279746 | [O][C][=C][C][=C][Branch2][Ring1][#C][C][=N][N][=C][C][=N][C][=C][Branch1][#C][O][C][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][N][Ring2][Ring1][Ring1][Ring1][S][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4279839 | [C][=C][C][=C][Branch2][Ring1][S][N][C][C][N][Branch2][Ring1][Ring2][C][C][C][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O] |
CHEMBL4279840 | [C][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] |
CHEMBL4279841 | [C][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=C][/C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O] |
CHEMBL4279842 | [C][C][O][C][=C][C][=C][Branch2][#Branch1][#Branch2][N][C][=C][C][=C][Branch2][=Branch1][=N][C][=Branch2][Ring2][Branch1][=C][C][=C][C][=Branch2][Ring1][=Branch2][=N+1][Branch1][Ring1][C][C][C][C][=C][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2]... |
CHEMBL4279843 | [C][N][C][=Branch1][C][=O][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][=N][C][Branch1][O][N][C][C][Branch1][C][F][Branch1][C][F][F][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][Ring1][Branch1][=C][Ring1][=C][C][=C][Ring2]... |
CHEMBL4279844 | [C][C][=Branch1][C][=O][C][=C][C][Branch2][Branch1][=Branch1][C][=N][N][Branch1][#C][C][=N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][S][Ring1][Branch2][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][=C][Ring1][P][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][Branch1][C][F][=C][R... |
CHEMBL4279845 | [C][C][C][C@H1][Branch2][Ring1][Branch2][O][/C][=C][/C][=Branch1][C][=O][O][C@@H1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring1][=N][Ring1][=Branch2][O][C][Ring2][Ring1][Ring2][=O] |
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