chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL4278045 | [C][C][S][C][=C][C][=Ring1][Branch1][C][=C][Branch1][=Branch1][C][C][C][Ring1][Branch1][C][C][=C][Branch1][=Branch1][S][C][=Ring1][Branch1][C][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C@H1][Branch1][C][O][C][Branch1][C][C][C][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][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C@H1][Branch1][C][O][C][Branch1][C][C][C][N][C][Ring2][#Branch1][Branch2][=O] |
CHEMBL4278046 | [O][=C][Branch2][Ring1][Branch1][C][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N] |
CHEMBL4278047 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][N][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4278048 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=C][C][=N][C][Branch2][Ring1][#Branch2][N][C@H1][C][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=C][=N][Ring2][Ring1][Branch1] |
CHEMBL4278132 | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Ring1][#C][C][=C][C][=C][NH1][Ring1][Branch1] |
CHEMBL4278133 | [O][=C][Branch2][Ring1][P][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][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][Cl][Cl][C][=C][Ring1][O][C][=C][Ring1][P][N+1][=Branch1][C][=O][O-1].[Br-1] |
CHEMBL4278134 | [O][=C][/C][=Branch2][Ring2][O][=C][/C][=C][N][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][=C][C][=C][Branch1][C][Br][C][=C][Ring2][Ring1][=Branch2][Ring1][#Branch1][C][C][C@@H1][C@H1][C][C][C][N][C][C][C][C@H1][Branch1][Branch2][C][N][Ring2][Ring2][#Branch2][Ring1][N][C@@H1][Ring1][N][Ring1][Branch2] |
CHEMBL4278135 | [N][#C][C][=C][C][=C][Branch2][Branch1][#Branch1][/C][=C][/C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C][=C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][=N][Ring1][=N][C][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring2][Branch2] |
CHEMBL4278136 | [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][S][Ring2][Ring1][=Branch2] |
CHEMBL4278137 | [C][N][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][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][Ring2][Ring1][O] |
CHEMBL4278138 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4278225 | [O][/N][=C][Branch1][#Branch2][\C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][=N][O] |
CHEMBL4278226 | [C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][S][=N][C][=C][Ring2][Ring1][#Branch1][Cl] |
CHEMBL4278227 | [O][=C][Branch1][C][O][C][=C][C][=N][C][Branch2][Ring1][#Branch1][C][=C][N][Branch1][=C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][=N][Ring1][=C][=C][Ring2][Ring1][Ring2] |
CHEMBL4278228 | [C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][C][C][C][C@@H1][Ring1][Branch1][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][C][C][C][C@@H1][Ring1][Branch1][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][Branch3][Ring1][=Branch1][Ring2][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@H1][C][C][C][C@@H1][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][Branch3][Ring1][C][=Branch1][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][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][=Branch1][C][C][C][C][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][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][C][N][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][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][C][C][C][C@@H1][Ring1][Branch1][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][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][O] |
CHEMBL4278229 | [C][C][=Branch1][C][=O][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] |
CHEMBL4278318 | [C][O][C][=C][C][Branch2][Ring1][S][C][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][O][C][NH1][N][=C][Branch1][=Branch2][C][C][C][C][Branch1][C][C][C][C][=Ring1][O][Ring2][Ring1][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring1][O][O] |
CHEMBL4278319 | [O][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=Branch1][O][C][C][C][Br][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=C][C][Branch1][C][Cl][Cl] |
CHEMBL4278320 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C@H1][C][C@@H1][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4278321 | [C][=C][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch2][Ring2][#Branch1][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][=N][Ring2][Ring1][=Branch1][C][Ring2][Ring1][O] |
CHEMBL4278411 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=S][N][/N][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4278412 | [O][=S][=Branch1][C][=O][Branch2][Ring1][#Branch2][C][=C][C][=C][NH1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][C][Ring1][=N][=C][Ring1][P][N][C][C][O][C][C][Ring1][=Branch1] |
CHEMBL4278413 | [O][=C][Branch2][Ring1][=Branch1][N][/N][=C][/C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][N+1][=Ring1][O][O-1][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring1][P] |
CHEMBL4278414 | [C][C@@H1][Branch2][Branch1][=Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][Ring1][#Branch1][=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][O][C][C][C][Ring1][Ring1] |
CHEMBL4278491 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][=C] |
CHEMBL4278492 | [C][C][=Branch1][C][=O][O][C][C@][Branch1][C][C][C][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C@@][Branch1][C][C][C@@H1][C][C][C@][Branch1][C][C][Branch1][C][O][C][C][=C][Ring1][=Branch2][C][C][C@@H1][Ring1][=C][Ring2][Ring1][#Branch1] |
CHEMBL4278493 | [O][=C][Branch2][Ring1][#Branch2][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][N][C][C][C][C][C][C][Ring1][#Branch1][N][C][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4278494 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][Branch1][C][C][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][Ring1][#Branch2][Ring1][S] |
CHEMBL4278576 | [C][C][C@H1][Branch2][Ring2][S][N][C][=N][C][Branch1][#C][N][C@@H1][Branch1][Ring1][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][Branch2][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4278577 | [O][=C][C][=C][C][=C][Branch2][Ring1][C][C][Branch1][Ring1][C][O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][Branch1][C][O][=C][Ring2][Ring1][Ring2][NH1][Ring2][Ring1][Branch2] |
CHEMBL4278578 | [C][N][C][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C@H1][Branch2][=N][#C][C][=C][C][=C][C][Branch2][=N][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][O][C][C][O][C][C][N][C][=Branch1][C][=O][C][C][C][Branch2][Branch1][=C][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][O][C][C][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C@@H1][C][N][Branch1][C][C][C][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Ring1][=N][=C][Ring2][Ring1][Ring1][Branch2][Branch1][=C][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][O][C][C][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C@@H1][C][N][Branch1][C][C][C][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Ring1][=N][=C][Ring2][Ring1][Ring1][N][C][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][=N][=C][Ring2][=Branch2][Branch2][C][Ring2][#Branch2][Ring2] |
CHEMBL4278579 | [C][O][C][=Branch1][C][=O][C][C@@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C@][Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][C][C][C@@H1][Ring2][Ring1][Branch1][Ring1][=C] |
CHEMBL4278580 | [C][N][C][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C@H1][Branch2][S][N][C][=C][C][=C][C][Branch2][#C][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][O][C][C][N][C][=Branch1][C][=O][C][N][C][C][N][Branch2][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][O][C][C][O][C][C][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C@@H1][C][N][Branch1][C][C][C][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Ring1][=N][=C][Ring2][Ring1][Ring1][C][C][N][Branch2][Branch1][#Branch2][C][C][=Branch1][C][=O][N][C][C][O][C][C][O][C][C][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C@@H1][C][N][C][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Ring1][N][=C][Ring2][Ring1][C][C][C][N][Branch2][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][O][C][C][O][C][C][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C@@H1][C][N][Branch1][C][C][C][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Ring1][=N][=C][Ring2][Ring1][Ring1][C][C][Ring2][=Branch2][=N][=C][Ring2][O][Ring1][C][Ring2][O][#C] |
CHEMBL4278581 | [O][=C][C@H1][C@@H1][C][=C][C@@H1][Branch1][Ring2][C][Ring1][Branch1][C@H1][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][C][C][N][C][C][N][Branch1][=C][C][=C][C][=C][C][C][=C][S][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C] |
CHEMBL4278663 | [C][C][C][C][C][C][=C][N][Branch2][Ring1][=Branch1][C][/C][=C][Branch1][C][\C][C][C][/C][=C][Branch1][C][\C][C][C][C][=C][Branch1][C][C][C][N][=N][Ring2][Ring1][Ring2] |
CHEMBL4278664 | [C][O][C][=Branch1][C][=O][C@@][Branch1][C][C][C][C][C@][Branch1][C][C][C][C][C@][Branch1][C][C][C][=Branch2][Branch1][=Branch1][=C][C][=Branch1][C][=O][C@@H1][C@@][Branch1][C][C][C][C][=C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][N][C][Ring1][=Branch1][N][=C][Ring1][=N][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring1][Ring2][C][C][C@][Ring2][Ring1][Branch2][Ring2][Ring1][=C][C][C@H1][Ring2][Ring2][Ring2][C][Ring2][Ring2][=Branch2] |
CHEMBL4278665 | [O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][N][Ring1][=N] |
CHEMBL4278666 | [N][C][=Branch1][C][=O][C][N][=C][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][N][=N][C][=Ring1][S][Ring1][=N] |
CHEMBL4278667 | [N][N][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N] |
CHEMBL4278668 | [C][C][C][O][C][=C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][Ring2][Ring1][=Branch1][=O] |
CHEMBL4278751 | [C][C][O][C][C][C][C][C][N][=C][Branch1][S][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][S][C][=Ring1][S][Ring2][Ring1][Ring2] |
CHEMBL4278752 | [O][C][C][C][C][C][N][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][S][C][=Ring1][=N][Ring1][P] |
CHEMBL4278753 | [C][C][=C][C][Branch1][Ring1][C][#N][=C][C][Branch1][C][C][=C][Ring1][=Branch2][O][C][=N][C][Branch1][=C][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][C][=C][Ring1][#C][S][C][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=N] |
CHEMBL4278754 | [C][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch2][Ring1][C][O][C][C][C][C][C][N][C][C][N][Branch1][C][C][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][=C][=C][Ring2][Ring2][C] |
CHEMBL4278755 | [C][C][=C][C][=C][O][C][Branch2][Branch1][#C][C][=C][C][=C][Branch2][Branch1][Ring1][O][C][C][O][C][C][O][C][C][N][C][=C][Branch2][Ring1][#C][C][C][C][C][O][C][=C][C][=C][Branch1][S][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring1][P][N][=N][Ring2][Ring1][O][C][=C][Ring2][Ring2][#Branch2][=C][C][=Branch1][C][=O][C][Ring2][Ring2][P][=C][Ring2][Branch1][Branch1] |
CHEMBL4278756 | [C][N][C][=N][C][Branch2][Ring1][O][N][C@H1][C@H1][C][C][C@@H1][Ring1][Branch1][C][N][Branch1][N][C][=C][C][Branch1][C][C][=N][C][=N][Ring1][#Branch1][C][Ring1][=C][=N][C][=C][Ring2][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][N][Ring1][#Branch1][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1] |
CHEMBL4278757 | [C][N][C][=C][C][Branch1][S][N][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][=N][N][C][Branch1][P][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][Ring1][C][O][C][O][=C][N][=C][Ring2][Ring1][N][Ring1][#C] |
CHEMBL4278758 | [C][N][C][=Branch1][C][=O][/C][=Branch1][#Branch2][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Ring1][#C][=S] |
CHEMBL4278837 | [C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1][C][#N] |
CHEMBL4278838 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][Ring1][C][#N][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4278839 | [C][=C][C][=C][Branch2][Ring2][Branch1][C][C][=C][C][=N][C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][N][Ring2][Ring1][C][C][=Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL4278840 | [O][=C][/C][=Branch2][Ring2][O][=C][/C][=C][N][Branch2][Ring1][=Branch2][C][C][=C][C][=C][Branch1][=C][O][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring1][#C][C][=C][C][=C][C][=C][Ring2][Ring1][=Branch2][Ring1][=Branch1][C][C][C@@H1][C@H1][C][C][C][N][C][C][C][C@H1][Branch1][Branch2][C][N][Ring2][Ring2][#Branch2][Ring1][N][C@@H1][Ring1][N][Ring1][Branch2] |
CHEMBL4278841 | [C][O][C][=C][Branch1][Branch2][/C][=C][/C][Branch1][C][N][=O][C][Branch1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][Ring2][Ring1][Ring2][O][C][O][Ring1][Branch1] |
CHEMBL4278917 | [C][C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][O] |
CHEMBL4278918 | [O][=C][C][C][C][=C][C][Branch2][Ring1][#Branch2][C][C][C][N][C][C][N][Branch1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][C][Ring1][=C][=C][C][=C][Ring2][Ring1][#Branch1][N][Ring2][Ring1][O][C][C][C][Ring1][=Branch1] |
CHEMBL4278919 | [C][O][C][=C][C][=N][C][Branch2][Ring1][Ring1][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][=N][C][Branch2][Ring1][Branch1][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=C][Ring2][Ring1][S][C][=C][Ring2][Ring2][Ring2][O][C] |
CHEMBL4278920 | [F][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][C][N][C@H1][C][C@@H1][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4278921 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][Branch1][C][Cl][C][=N][C][=C][Ring1][#Branch1][Cl][C][=C][Ring2][Ring1][O][O][C] |
CHEMBL4279001 | [O][=C][Branch1][C][O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4279002 | [C][O][C][=C][C][=C][C][Branch2][Ring2][=C][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][N][Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][=N][=C][Ring2][Ring2][Ring1] |
CHEMBL4279003 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Branch1][=N][C][=N][C][=C][Branch2][Ring2][O][N][C][C][N][Branch2][Ring1][#C][C][C][=C][N][Branch2][Ring1][Ring2][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][N][=N][Ring1][S][C][C][Ring2][Ring1][#Branch1][C][=C][C][=C][Ring2][Ring1][=N][NH1][Ring2][Ring1][S][C][=C][Ring2][Ring2][=Branch1] |
CHEMBL4279004 | [C][C][O][C][=Branch1][C][=O][N][C][O][C][=C][Branch1][#C][C][=C][C][Branch1][C][C][=N][C][Branch1][C][C][=C][Ring1][Branch2][N][=C][C][=C][Ring1][=C][C][=Ring1][P][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL4279005 | [C][C][C][C][C][C][C][Branch1][C][O][C][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL4279006 | [C][O][P][=Branch1][C][=O][Branch1][C][O][C][C@H1][C@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring2][Ring1][Branch2][O] |
CHEMBL4279092 | [C][N][N][=C][Branch2][Ring2][Branch2][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][Branch1][C][Cl][=C][Ring2][Ring1][Branch1][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring2][Ring1][#C] |
CHEMBL4279093 | [O][=C][Branch1][#C][C][C][=N][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][N][C][=Branch1][C][=O][C][S][C][Ring1][=Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F] |
CHEMBL4279094 | [C][C][C][C][C][=C][Branch1][C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][=N][O][C][Branch1][C][N][=C][Branch1][Ring1][C][#N][C][Ring1][=Branch2][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][Ring2][Ring1][Branch2][=O] |
CHEMBL4279095 | [C][C][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C@@H1][N][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][Ring1][Branch2][=O][S][Ring2][Ring1][#Branch2] |
CHEMBL4279096 | [C][O][C][=C][C][Branch2][Branch1][Branch1][/C][=C][/C][C][=C][Branch2][Ring2][Branch2][/C][=C][/C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1][NH1][N][=Ring2][Ring1][N][=C][C][=C][Ring2][Ring2][Ring2][O][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL4279174 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=N][C][=N][N][=C][N][Ring1][Branch1][C][Branch1][C][C][C][=N][Ring1][=C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4279175 | [C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][=Branch1][C][=O][O][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][C][=C][Ring1][=Branch2][C][Branch1][C][C][C] |
CHEMBL4279176 | [O][=C][Branch1][C][O][C][C][O][C][=Branch1][C][=O][O][C@H1][C][C][C][C][C][C][C][C][C][C@@H1][Branch1][Ring1][C][O][O][C][=Branch1][C][=O][/C][=C][/C@H1][Ring2][Ring1][Ring1][O] |
CHEMBL4279177 | [C][C][C][=N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][N][=C][Ring1][Branch2][N][Ring1][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][Ring1][N][=C][Branch1][C][\C][C][N][=N][NH1][N][=Ring1][Branch1] |
CHEMBL4279178 | [C][C][C][N][C][Branch1][C][C][=C][N][=C][Ring1][=Branch1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][O][Ring1][Branch2][C][Ring1][=C] |
CHEMBL4279179 | [O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][NH1][C][Branch2][Branch1][=C][C][=C][C][=C][Branch2][Ring2][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][N][C][=N][C][=C][C][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][=C][C][=C][Ring1][=C][NH1][Ring1][P][C][=C][Ring2][Ring1][#Branch1][F][C][Branch1][C][F][=C][Ring2][Ring2][Ring1][=N][C][Ring2][Ring2][Branch2][=C][Ring2][Ring2][N] |
CHEMBL4279180 | [C][C][Branch1][C][C][C][O][C][=N][C][=C][Branch2][Ring1][S][C][=C][N][Branch1][C][C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][=C][Ring1][P][Ring1][=N][C][=C][Ring2][Ring1][#Branch1][Cl] |
CHEMBL4279262 | [O][=C][Branch1][C][O][C][=C][C][=N][C][Branch2][Ring1][S][C][=C][N][Branch2][Ring1][Branch1][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring2][Ring1][Ring1][=C][Ring2][Ring1][=Branch2] |
CHEMBL4279263 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][N][C][C][C][C][C][C][Ring1][#Branch1] |
CHEMBL4279264 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][P][C][=C][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Branch1][C][C][N][Ring1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4279265 | [C][O][C][=C][C][=C][Branch2][Branch1][Ring2][O][C][=C][C][=C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring2][Ring1][C][=O][C][=C][Ring2][Ring1][N][F][C][=C][N][=C][Ring2][Ring2][Ring2][C][=C][Ring2][Ring2][Branch2][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4279266 | [O][=C][C][=C][Branch1][=N][S][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][NH1][C][=Branch1][C][=O][N][Ring1][#C][O] |
CHEMBL4279348 | [N][C][=Branch1][C][=O][C][C][=C][N][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][=Ring1][=C] |
CHEMBL4279349 | [C][C][Branch1][C][C][O][C@H1][O][C@H1][Branch2][Ring1][#Branch2][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C@H1][Branch1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C@H1][Ring2][Ring1][N][O][Ring2][Ring1][S] |
CHEMBL4279350 | [C][O][C][=C][C][=C][Branch2][Ring1][P][C@H1][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Ring2][Ring1][Branch2][O][C] |
CHEMBL4279351 | [O][C][=C][C][=C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][C][=N][Ring1][N] |
CHEMBL4279352 | [O][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][P] |
CHEMBL4279353 | [C][=C][C][=Branch1][C][=O][N][C@@H1][C][N][Branch2][Ring2][Branch2][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch2][C][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=N][=N][Ring2][Ring1][#Branch1][C][C][Ring2][Ring1][N][C][C][Ring1][Ring1] |
CHEMBL4279354 | [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][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O] |
CHEMBL4279355 | [O][=C][Branch2][Ring1][N][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring1][S] |
CHEMBL4279437 | [O][=C][Branch1][C][O][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O] |
CHEMBL4279438 | [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][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4279439 | [C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][C][C][C][C][N][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][S][C][=Ring1][S][C][Ring2][Ring1][Ring2] |
CHEMBL4279440 | [C][C][C][C][N][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][C][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C] |
CHEMBL4279441 | [N][#C][C][=C][C][=C][C][Branch2][=Branch1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][S][C][=C][C][=C][Branch2][Ring2][Ring2][C][O][C@H1][C][O][C@][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][O][C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][N][C][C][Ring2][Ring2][C][=C][Ring2][Ring2][O] |
CHEMBL4279442 | [C][=C][Branch1][=Branch2][C][C][C][=C][Branch1][C][C][C][C][Branch1][C][O][C][C][=C][Branch1][C][O][C][Branch2][Ring2][Ring1][C][C][=C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][O][=C][Branch1][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][Ring1][S][=O][=C][Branch1][C][O][C][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][Ring2][Ring1][#C][O] |
CHEMBL4279443 | [O][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch2][Branch1][=Branch1][O][C][C][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][=C][C][=C][Ring2][Ring2][P][Ring2][Ring2][#Branch1] |
CHEMBL4279444 | [C][C][C][C][C][C][C][C][C][C][C][C][O][C][C][=C][Branch1][C][Cl][N][=C][Branch1][Branch1][C][C][C][C][N][Ring1][#Branch2][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][P] |
CHEMBL4279445 | [N][C][=C][C][Branch1][=Branch1][C][Branch1][C][F][F][=C][Branch2][Ring2][C][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch1][=N][N][C][C][C][C][Ring1][Branch1][C][O][C][Ring1][#Branch1][=N][Ring2][Ring1][Ring2][C][=N][Ring2][Ring1][=N] |
CHEMBL4279529 | [C][C@@H1][C][C@H1][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][Ring1][C][#N][C][=N][C][=C][C][=C][Ring1][N][Ring1][=Branch1][C][N][Branch1][P][C][=Branch1][C][=O][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][Ring2][Ring1][N] |
CHEMBL4279530 | [C][C][=C][C][Branch2][Ring2][Ring1][C][=C][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][Ring1][=Ring1][#C][=C][C][=N][Ring2][Ring1][=Branch2] |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.