chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL4205959 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][=C][C][Branch2][Ring1][Ring2][C][=C][N][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][#Branch1] |
CHEMBL4205960 | [C][=C][O][C][Branch1][S][C][N][C][C][=C][C][=N][S][N][=C][Ring1][Branch1][C][=Ring1][=Branch2][=C][Ring1][S] |
CHEMBL4205961 | [O][=C][NH1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][C][C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][=C] |
CHEMBL4205962 | [C][O][C@H1][C][/C][=C][/C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][O][C@@H1][Branch1][=N][/C][=C][Branch1][C][/C][C][N][C][Branch1][C][C][=O][C][/C][=C][/C][=C][/C][C@H1][Branch1][C][C][/C][=C][-/Ring2][Ring1][=N][C] |
CHEMBL4206057 | [C][C][=C][C][Branch2][Ring2][Branch2][C][N][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][=N][C][=C][Branch1][#Branch2][N][C][C][C][C@@H1][Ring1][Branch1][C][O][C][=C][Branch1][C][Cl][C][=C][Ring1][=C][Ring2][Ring1][#Branch1][=C][C][Branch1][C][C][=C][Ring2][Ring1][#C][F] |
CHEMBL4206058 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][NH1][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][=Branch1][=Branch1][=C][N][Ring1][Branch1][C][C][N][Ring1][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] |
CHEMBL4206059 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][#C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][Br][=C][Ring1][Branch2][O][C][=C][Ring2][Ring1][Ring1][O][C] |
CHEMBL4206146 | [C][C][C@@H1][Branch2][Branch1][C][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][C][C@@H1][O][C@@H1][Branch2][Ring1][Branch1][C@@H1][Branch1][Ring1][C][C][C][=Branch1][C][=O][O][C][C][Si][Branch1][C][C][Branch1][C][C][C][C][C][C@@H1][Ring2][Ring1][C][C][C@H1][O][C@][Branch2][#Branch1... |
CHEMBL4206147 | [O][=C][Branch1][P][C][C][N][C][=N][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=N][Ring1][Branch2][N][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N] |
CHEMBL4206148 | [C][C][C][C][C][=C][C][=C][Branch2][Ring1][#C][C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][C][N][Ring1][=C][C][=N][C][=C][C][=N][Ring1][=Branch1][S][Ring2][Ring1][=Branch2] |
CHEMBL4206150 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4206151 | [C][O][C][=C][Branch1][C][C][C][=C][Branch2][Ring1][P][C][Branch1][C][O][=C][Ring1][Branch2][C][/C][=C][Branch1][C][\C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring2][Ring1][#Branch2] |
CHEMBL4206152 | [C][C][Branch1][C][C][C][C][C@][Branch1][P][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][C][C][N][C][C][C@][Branch1][C][C][C][=Branch2][Ring1][P][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@][Ring1][=C][Ring2][Ring1][Ring1][C][C@@H1][Ri... |
CHEMBL4206235 | [C][C][=N][C][=C][Branch2][Ring1][S][C][Branch1][Ring1][C][O][=N][N][Ring1][#Branch1][C@H1][Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][NH1][Ring2][Ring1][Branch2] |
CHEMBL4206236 | [C][O][C][=C][C][=C][N][=C][C][=C][Branch1][C][Cl][C][=C][C][Ring1][#Branch1][=C][Branch2][Ring1][=C][N][C][C][C][N][C][=Branch1][C][=O][C][S][C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][Ring2][Ring1][=C][=C][Ring2][Ring2][C] |
CHEMBL4206237 | [C][O][C][=C][C][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=C][Ring1][#C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=Branch2][Branch1][C][C][C] |
CHEMBL4206238 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][Ring1][N][=C][Branch1][C][N][O][Ring2][Ring1][C] |
CHEMBL4206239 | [O][C@@H1][C@H1][Branch1][C][O][C][N][C@@H1][Ring1][=Branch1][C][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][O] |
CHEMBL4206240 | [C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch2][Ring1][=Branch2][C][O][C][C][=C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=N][Ring1][=N][N][Ring2][Ring1][O][Ring2][Ring1][#C] |
CHEMBL4206343 | [C][C][=C][C][=C][C][Branch2][Ring2][O][C][=C][C][=C][Branch2][Ring1][#C][C@H1][Branch1][C][C][N][C][=C][N][=C][C][Branch1][S][N][C][=Branch1][C][=O][O][C][C@@H1][Ring1][=Branch1][C][Branch1][C][C][C][=N][Ring1][#C][C][=C][Ring2][Ring1][Branch2][=C][Ring2][Ring1][=C] |
CHEMBL4206344 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][C][/C][Branch1][C][C][=C][/C][C][=C][Branch1][C][O][C][=C][Branch1][#Branch2][C][Branch1][C][C][=C][Ring1][Branch2][O][C][C][O][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][=N] |
CHEMBL4206345 | [C][C][C][=C][N][=C][Branch2][Ring2][P][N][C][C][C][Branch2][Ring2][Branch1][C][=N][C][Branch2][Ring1][#Branch2][C][O][C][=C][C][=C][Branch1][=N][/C][=C][\S][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][C][=C][Ring1][=C][F][=C][S][Ring2][Ring1][=Branch1][C][C][Ring2][Ring1][N][N][=C][Ring2][Ring2][C] |
CHEMBL4206346 | [F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][C][=Branch1][C][=S][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N] |
CHEMBL4206347 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch2][O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][Ring1][Branch1][=O][C][=C][Ring1][=C][=C][Ring2][Ring1][Branch1] |
CHEMBL4206434 | [C][C][=Branch1][C][=O][N][C][C@H1][C][N][Branch2][Ring1][N][C][=C][C][=C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][O][=C][Ring1][Branch2][C][Branch1][C][F][=C][Ring1][#C][C][=Branch1][C][=O][O][Ring2][Ring1][Branch1] |
CHEMBL4206435 | [C][O][C][=Branch1][C][=O][C][C][=C][C][=C][Branch2][Ring1][O][O][C][C][Branch1][C][O][C][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][=N][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4206436 | [C][/C][=C][Branch1][C][/C][C][=Branch1][C][=O][O][C][Branch1][Branch2][C][C][=C][Branch1][C][C][C][/C][Branch1][C][C][=C][\C][C@@H1][Branch1][C][O][C][Branch1][C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Ring1][N][=O] |
CHEMBL4206437 | [C][C][N+1][=C][C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=C][C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=C][Ring2][Ring1][Branch2].[Br-1] |
CHEMBL4206536 | [N][C][=N][C][Branch1][C][N][=C][C][=C][Branch2][Ring1][=C][N][C][C][=C][C][=C][Branch1][P][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][C][C][=C][C][Ring2][Ring1][#Branch2][=N][Ring2][Ring1][#C] |
CHEMBL4206537 | [O][=C][Branch1][Ring1][N][O][C][=C][C][=C][Branch2][Ring1][P][C][N][C][=C][C][=C][C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][#C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4206538 | [C][C][Branch1][C][C][Branch1][C][O][C@@H1][O][C][C@H1][Branch2][Ring2][#C][C@@H1][C][C][C@][Branch1][C][C][C][=C][C][=Branch1][C][=O][C@H1][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][C][C@][Ring1][=Branch2][Branch1][C][C][C@H1][Ring1][#C][C][C][C@@][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring2][C][C][C@H1]... |
CHEMBL4206539 | [C][C][N][C][C][=C][C][=C][C][=C][Branch1][=Branch2][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][C][=C][Ring1][#Branch2][NH1][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][#Branch2][O] |
CHEMBL4206540 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch2][Ring2][#C][O][C][C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][Ring1][=N][C][=Ring1][S][C][=Branch1][C][=O][O][C][C][O]... |
CHEMBL4206541 | [N-1][=N+1][=N][C][C@H1][O][C@H1][Branch2][Ring2][#C][O][C@@H1][C@@H1][Branch1][Ring2][N][=N+1][=N-1][C][C@@H1][Branch1][Ring2][N][=N+1][=N-1][C@H1][Branch2][Ring1][#Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][Ring2][N][=N+1][=N-1][C@H1][Ring1][N][O][C@H1][Ring2][Ring1][#Branc... |
CHEMBL4206542 | [C][O][C][=C][C][Branch2][Branch2][=Branch2][C][=N][C][Branch2][=Branch1][Ring2][C][N][C][C][C][C][C][C][N][C][C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring2][Ring1][C][C][Branch2][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1... |
CHEMBL4206638 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][N][=C][Branch1][C][S][S][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][=C][Ring1][#C] |
CHEMBL4206640 | [C][C][#C][C@@H1][Branch1][=Branch2][C][C][=N][N][=N][NH1][Ring1][Branch1][C][=C][C][=C][Branch2][Ring2][Branch2][O][C][C][=C][C][=C][S][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][=Branch2][O][C][C][Branch1][C][O][C][O][C][=C][Ring1][N][C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][=... |
CHEMBL4206641 | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][C] |
CHEMBL4206642 | [C][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring2][C][O][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N][=C][Ring2][Ring1][#C] |
CHEMBL4206643 | [C][C@@H1][C][C][=C][Branch1][Ring2][C][Ring1][Branch1][C@@H1][Branch2][Ring1][=Branch2][C@@][Branch1][C][C][C][=Branch1][C][=O][C][C@H1][C@@H1][Branch1][Branch1][C][Ring1][Branch2][=O][C][Ring1][Branch1][Branch1][C][C][C][C@@H1][Branch1][C][C][C][Ring2][Ring1][Ring1][=O] |
CHEMBL4206644 | [O][=C][Branch1][S][N][Branch1][C][O][C][/C][=C][/P][=Branch1][C][=O][Branch1][C][O-1][O][C][Branch1][C][F][Branch1][C][F][F].[Na+1] |
CHEMBL4206734 | [C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][N][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][NH1][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=N][N][=C][C][=C][Ring1][=N][Ring1][=Branch2] |
CHEMBL4206735 | [C][O][C][=C][C][=C][Branch1][Branch2][C][=N][N][=N][NH1][Ring1][Branch1][C][=N][Ring1][O] |
CHEMBL4206736 | [C][O][C][=C][C][Branch2][Branch1][P][/C][=C][/C][=Branch1][C][=O][O][C][C][C][C][C][N][Branch2][Ring2][Branch2][C][C][C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch2][Ring1][C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring1][P][C][C][=C][C][=C][C][=C][Ring1][=Branch... |
CHEMBL4206737 | [O][=C][Branch2][Ring2][=Branch2][C][N][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=N][C][Branch1][#Branch2][N][C][C][C][O][C][C][Ring1][=Branch1][=N][C][=C][Ring1][=N][Cl][C][=C][Ring2][Ring1][Ring2][C][Ring2][Ring1][#Branch1][=O][N][C@@H1][Branch1][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4206738 | [C][C][=C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][N][C][=Branch1][C][=S][N][Ring2][Ring1][Branch2] |
CHEMBL4206739 | [C][O][C][=C][C][Branch2][Ring1][N][C][=N][C][=C][C][Branch1][=N][/C][=C][\S][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][=C][C][=C][Ring1][=C][NH1][Ring1][P][=C][C][=C][Ring2][Ring1][#Branch1][O][C][C][Branch1][C][C][C] |
CHEMBL4206841 | [O][C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4206842 | [O-1][S+1][Branch2][Ring1][#Branch1][C][C][#C][C][=C][Branch1][Branch1][C][#C][C][O][S][C][=C][C][=C][C][=C][Ring1][=N][Ring1][=Branch1][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F] |
CHEMBL4206843 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring1][S].[Na+1] |
CHEMBL4206844 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C@@H1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][C@H1][Branch1][C][C][C@H1][Ring1][#C][C][C][=C][Ring2][Ring1][=Branch1][O][C] |
CHEMBL4206845 | [C][C][Branch2][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][P][C][=C][C][=C][Branch1][#Branch1][/C][Branch1][C][N][=N][/O][C][=C][Ring1][#Branch2... |
CHEMBL4206938 | [C][C][C@][Branch1][C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C@H1][C][C@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branc... |
CHEMBL4206939 | [C][C@@H1][S][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][C@H1][Ring1][#Branch2][C][O] |
CHEMBL4206940 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=C][Branch1][C][Cl][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][Cl] |
CHEMBL4206941 | [C][=C][C][C][C][C@@][Branch1][C][C][C][C@@H1][O][C][=Branch1][C][=O][C@][Branch1][Ring1][C][O][Branch1][Ring2][O][C][C][C@@H1][Ring1][O][C][C@H1][Ring2][Ring1][Ring2][Ring1][S] |
CHEMBL4206942 | [C][=C][C][Branch1][=C][C][C][=C][N][C][=N][C][=C][Ring1][Branch1][C][=Ring1][=Branch2][=C][C][=C][NH1][C][Ring1][Branch1][=N][Ring2][Ring1][C] |
CHEMBL4207045 | [C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring2][Ring1][#C] |
CHEMBL4207046 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O] |
CHEMBL4207047 | [O][=C][NH1][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][C][C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][=C] |
CHEMBL4207048 | [C][C][Branch1][C][C][=C][C][N][C][=N][C][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][=C][Branch1][=N][N][C@H1][C][C][C@H1][Branch1][C][N][C][C][Ring1][#Branch1][N][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][=Branch2] |
CHEMBL4207135 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][C][S][C][=C][C][Branch2][Ring1][#Branch1][C][Branch1][C][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][S][Ring2][Ring1][Ring2] |
CHEMBL4207136 | [C][C][Branch1][C][C][C][N][=C][Branch2][Ring1][#C][C][=N][N][=C][Branch2][Ring1][Ring2][C][C][C][N][Branch1][#Branch2][C][C][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=N][O][Ring2][Ring1][C][N][C][=C][C][=C][C][=Ring2][Ring1][O][Ring1][=Branch1] |
CHEMBL4207137 | [N][C][=Branch1][C][=O][C][S][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=Ring1][O][C][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4207138 | [C][C@H1][Branch1][Ring1][C][O][N][C][=N][C][Branch2][Ring1][=C][N][C@H1][C][C][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][C][C][C][Ring1][#Branch1][C][C][Ring1][P][=C][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][Ring1][=N][=N][Ring2][Ring2][Rin... |
CHEMBL4207139 | [C][C][C][C][C][C][C][C][/C][=C][/C][C][C][C][C][C][C][C][O][C][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] |
CHEMBL4207233 | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring2][O][N][=C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Ring1][=N][C][C][C][C][=Branch1][C][=O][N][/N][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][O][N][Branch1][C][C][C][Ring2][Ring2][Ring2][=O] |
CHEMBL4207234 | [C][N][N][=C][C][=C][Branch2][Ring1][O][N][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][=C][Branch1][C][Cl][N][=C][Ring2][Ring1][Branch1][Ring2][Ring1][Branch2] |
CHEMBL4207235 | [C][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][C@@H1][C@@H1][Branch1][=Branch2][C][C@@H1][O][C@@H1][Ring1][Ring1][Ring1][=Branch1][C@H1][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4207236 | [C][N][C][=Branch1][C][=O][C][N][N][=N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][N][=C][N][Ring1][Branch2][C][Ring1][N][=O] |
CHEMBL4207237 | [F][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=N][C][=C][N][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N][NH1][Ring1][S][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4207324 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=S][N][C][=N][C][Branch1][C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Ring1][=Branch2][C][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4207325 | [O][=C][Branch2][Ring1][O][N][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=N][Ring1][N][C][=C][C][=C][C][=N][Ring1][=Branch1] |
CHEMBL4207326 | [C][C][C][C][C][C][O][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1] |
CHEMBL4207327 | [O][C][=C][C][=C][Branch1][#C][N][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Ring1][S] |
CHEMBL4207420 | [O][=C][Branch2][Ring1][O][O][C][=C][C][=C][C][Branch1][S][/C][=C][\C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=O][=C][Ring1][P][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4207421 | [C][C][Branch1][C][C][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][O][C][=C][C][=C][Branch2][Ring2][C][C][=Branch2][Ring1][Ring1][=C][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][Ring1][#Branch1][C][=C][C][=C][Bran... |
CHEMBL4207422 | [C][O][C][=C][C][=C][Branch1][O][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][=C][Branch1][S][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][O][C][O][Ring1][Branch2][C][C@H1][Branch1][C][C][C@@][Branch1][C][C][Branch1][C][O][C@H1][Ring2][Ring1][#Branch2][O] |
CHEMBL4207423 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][N][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][C][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring2][Ring1][#Branch1][Ring1][#Branch1][C][=C][Ring2][Ring1]... |
CHEMBL4207424 | [C][C][C][C][C][C][C][C][N][C][=Branch1][C][=S][N][C][=N][C][Branch1][C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Ring1][=Branch2][C] |
CHEMBL4207425 | [C][=C][C][=Branch1][C][=O][N][C@@H1][C][C][N][Branch2][Ring2][#C][C][=N][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][N][=C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][Branch2][=N][Ring2][Ring1][#Branch2][C][Ring2][Ring1][#C... |
CHEMBL4207515 | [O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][/C][=N][/N][C][=N][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][C][Ring1][#Branch1] |
CHEMBL4207516 | [C][/C][=C][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][C][=Branch1][C][=O][N][C@@H1][Branch1][O][C][C][C][=Branch1][C][=O][N][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C@H1][Ring1][Branch1][O][C][C][=Branch1][C][=O][N][C... |
CHEMBL4207517 | [C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][N][Ring2][Ring1][Branch2][C][C][C][Ring1][Ring1] |
CHEMBL4207518 | [C][O][C][=C][C][Branch2][Ring1][=Branch2][C][O][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][=Ring1][=N][O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1][O][C] |
CHEMBL4207519 | [O][=C][C][C][C][=C][Branch2][Ring2][#C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C@@H1][C@@H1][Branch2][Ring1][Branch2][C][=N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][NH1][Ring1][=N][C@@H1][Ring1][S][O][Ring2][Ring1][Ring2][C][=C][N][=C][Ring2][Ring... |
CHEMBL4207520 | [N][#C][C][=C][C][=N][C][Branch2][Branch1][#C][N][C][=Branch1][C][=O][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C@@][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][... |
CHEMBL4207521 | [C][C][=N][C][=C][Branch1][C][F][C][=C][Branch2][Branch1][=Branch1][C][=N][C][Branch2][Ring2][=Branch2][N][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][C][N][Branch2][Ring1][Ring2][C][C][C][N][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][O][C][C][Ring1][O][C][Ring2][Ring1][C][=N][C][=C][Ring2][Ri... |
CHEMBL4207522 | [C][O][C][C][O][C][C][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C@][C][C][C][Branch1][C][C][Branch1][C][C][C][C@H1][Ring1][Branch2][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][O][C][C][C@@][Ring... |
CHEMBL4207523 | [C][O][C][=C][C][Branch2][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C@@][Branch1][C][O][C][O][C@@H1][Branch2][Ring2][C][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][O][C@H1][Ring1][#Branch2][O][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@@H1][Ring2][Ring1][O][O][... |
CHEMBL4207524 | [C][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][O][C][C][C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C@@][Ring2][Ring1][=N][Branch1][Ring1][O][C][C][C@H1][Ring1][#Branc... |
CHEMBL4207613 | [C][C][Branch1][C][C][C][N][C][C][C][Branch2][Ring1][O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Branch2] |
CHEMBL4207614 | [C][C][C][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][C][C][C][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] |
CHEMBL4207615 | [N][#C][C][C][=Branch1][C][=O][N][N][C][=Branch1][C][=S][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL4207616 | [C][C][C][=C][Branch1][S][S][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][N][Branch2][Ring2][#C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][C][C][C][C][N][C][C][=C][N][Branch1][N][C@H1][C][C][C@@H1][Branch1][Ring1][C][O][O][Ring1][#Branch1][C][=Branch1][C][=O][N][=Ring1][=C][C][=Br... |
CHEMBL4207617 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=C][Ring1][O][C][=C][C][=C][Branch1][#Branch2][C][Branch1][Ring1][C][#N][C][C][Ring1][Branch1][C][=C][Ring1][O][C][C][Ring2][Ring1][=C] |
CHEMBL4207618 | [O][=C][Branch1][C][O][C][C][C][=Branch1][C][=O][N][Branch1][O][C][C][C][Branch1][C][F][Branch1][C][F][F][C@H1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C@H1][C][C][C][C@@H1][Ring1][Bran... |
CHEMBL4207712 | [C][C][C][C][O][C][=C][C][=C][Branch2][Ring2][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][=C][C][=Branch1][C][=O][N][C][=Branch1][C][=S][N][C][Ring1][Branch2][=O][C][=C][Ring2][Ring1][O] |
CHEMBL4207713 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][#Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][N][Branch2][Ring1][S][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C... |
CHEMBL4207714 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=N][C][C][N][C@@H1][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2] |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.