chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL12481 | [C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][#Branch2].[N][/C][=Branch1][Ring1][=N][\O][N][/N][=C][/C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] |
CHEMBL12570 | [C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][=N][N][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][C][Ring1][=C] |
CHEMBL12571 | [N][/C][=Branch1][Ring1][=N][\O][N][/N][=C][\O][S][=Branch1][C][=O][=Branch1][C][=O][O] |
CHEMBL12595 | [C][C][C][N][Branch2][Ring1][=Branch2][C][C][C][N][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][=N][C][C][Branch1][C][C][N][Ring2][Ring1][#Branch1] |
CHEMBL12596 | [O][=N][N][Branch1][Ring2][C][C][Cl][C][=Branch1][C][=O][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch2] |
CHEMBL12597 | [C][C][C][C][C][C@][Branch1][C][C][Branch1][C][O][/C][=C][/C][C@H1][Branch1][C][O][C][C@@H1][O][C][=Branch1][C][=O][C][C][C][/C][=C][\C][C@H1][Ring1][#C][Ring1][O] |
CHEMBL12598 | [C][C][C][C][C][N][=C][Branch2][Ring1][=Branch2][C][C][=C][C][=C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][#C][N][Branch1][Branch1][C][C][C][C][N][=Ring2][Ring1][=Branch2] |
CHEMBL3309313 | [C][N][Branch1][C][C][C][C][O][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch2][#Branch1][O][C][N][C][C][N][Branch2][=Branch1][=C][C][=C][C][=C][Branch2][=Branch1][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C@H1][B... |
CHEMBL12523 | [C][N][Branch1][C][C][C][C][C][N][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][N][Branch1][N][C][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1] |
CHEMBL12617 | [O][=S][=Branch1][C][=O][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Branch1][=C][S][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][C][=C][Ring1][=N] |
CHEMBL12620 | [C][C][=N][C][=C][Branch1][Ring2][C][C][N][NH1][Ring1][Branch2] |
CHEMBL12621 | [C][C][Branch1][C][C][C][O][P][=Branch1][C][=O][Branch2][Ring2][Ring1][C][Branch1][#C][C][C][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][P][=Branch1][C][=O][O][C][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][=Branch2][O][C][Ring2][Ring1][N] |
CHEMBL96 | [N][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL4543206 | [C][C][=C][C][=C][Branch1][=Branch2][C][=Branch1][C][=O][N][C][C][#N][C][=C][C][=C][Ring1][N][N][Ring1][#C][C][=N][C][=C][Branch1][P][C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=C][C][C][C][C][Ring1][S] |
CHEMBL4543207 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=N][C][=C][C][Branch1][#C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=N][Ring1][S][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4543208 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][N][=N][N][Branch2][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][N][=Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O] |
CHEMBL12622 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][S][C][=C][C][Branch1][C][O][=C][Branch1][#C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][O][Ring2][Ring1][C][=C][Ring2][Ring1][Branch2] |
CHEMBL12644 | [C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][N][Branch1][Ring2][C][C][Cl][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2] |
CHEMBL12645 | [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=N][/C][Ring1][=Branch1][=N][\C][=N][/C][=Branch2][Ring2][=Branch1][=N][\C][N][C][Branch2][Ring1][Ring2][N][C][=N][/C][=Branch1][Ring2][=N][-\Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ri... |
CHEMBL12647 | [C][N][Branch1][C][C][C@@H1][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Branch1][C][O][C@@][Branch1][C][O][C][Branch1][C][O][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C@][Branch1][C][C][Branch1][C][O][C][Ring1][=C][C][C@@H1][Ring2][Ring1][=N][Ring2][Ring1][Rin... |
CHEMBL12661 | [C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][Ring1][#Branch2] |
CHEMBL12662 | [F][C][=C][C][=C][NH1][C][=C][Branch1][#Branch1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][C][N][Branch1][P][C][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][Ring2][Ring1][Ring2] |
CHEMBL12663 | [C][C][C][C][C][=N][C][Branch2][Ring1][O][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][=N][N][Ring2][Ring1][#Branch1][C][C][C][C] |
CHEMBL12387 | [C][/C][=C][Branch2][Ring1][Ring2][\N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL12388 | [C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=O] |
CHEMBL12389 | [C][C@@H1][C][C][C][N][Branch2][Ring1][S][C][C][C@@H1][Branch1][C][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring2][Ring1][=Branch2] |
CHEMBL12752 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=C] |
CHEMBL12753 | [O][=S][=Branch1][C][=O][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][Branch1][=C][C][S][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL12754 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][S][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][Branch1][S][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][C][Branch1][C][N][=O] |
CHEMBL12755 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch2][Ring2][=Branch1][C][N][C][C][N][Branch2][Ring1][=Branch2][C][C][C][N][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][=N][C][C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][=N] |
CHEMBL12624 | [C][C][=C][C][=C][C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][C][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][=C][Ring2][Ring1][#Branch1] |
CHEMBL12715 | [N][C][C][C][=C][N][Branch2][Ring2][Branch1][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][NH1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Ring1][=C][C][C][=Branch1][C][=O][O][C][=Ring2][Ring1][=Branch2] |
CHEMBL12716 | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][N][C][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][=O] |
CHEMBL12717 | [C][C][C][C][C][C@][Branch1][C][C][Branch1][C][O][/C][=C][/C][C@H1][Branch1][C][O][C][C@@H1][O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][C][/C][=C][\C][C@H1][Ring1][P][Ring1][=N] |
CHEMBL12737 | [C][C][C][C][C][N][=C][Branch1][Branch1][C][C][C][C][N][Branch2][Ring1][Branch2][C][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=C][N][=Ring2][Ring1][Branch2] |
CHEMBL12738 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][C][O][C][Ring1][Branch2][=O] |
CHEMBL4543231 | [O][=C][Branch1][#C][C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][F][N][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1] |
CHEMBL4543232 | [O][=C][Branch2][Ring1][Branch2][C][=C][N][=C][C][Branch1][=C][N][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][N][Ring1][Branch1][=C][Ring1][=N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] |
CHEMBL4543233 | [C][O][C][=Branch1][C][=O][C][C][C][N][C][C][C][=C][Branch2][Ring1][N][S][C][N][=C][Branch1][N][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][NH1][C][=Branch1][C][=O][C][Ring1][P][=Ring1][=C][C][Ring2][Ring1][Branch1] |
CHEMBL4543234 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] |
CHEMBL12741 | [C][C][C][C][C][Branch1][C][C][Branch1][C][C][C@H1][Branch1][C][O][/C][=C][/C][C@H1][Branch1][C][O][C][C@@H1][O][C][=Branch1][C][=O][C][C][C][/C][=C][\C][C@H1][Ring1][#C][Ring1][O] |
CHEMBL12122 | [C][C][/C][=Branch2][Ring1][P][=C][Branch2][Ring1][Branch1][/C][C][=C][C][=C][Branch1][#Branch2][O][C][N][Branch1][Ring1][C][C][C][C][C][=C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL12211 | [C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][C][Branch1][#C][C][C][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][O][C][C] |
CHEMBL12212 | [O][=C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring2][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][P][/C][=C][/C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C][=C][Ring2][Ring1][=N] |
CHEMBL12213 | [C][N][C][=C][Branch1][O][NH1][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][N][C][C][Ring1][N][C][C][N][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][C] |
CHEMBL12214 | [C][N][Branch1][C][C][C][=Branch1][C][=S][N][Branch1][C][C][C] |
CHEMBL12417 | [C][C][C][C][C][N][=C][Branch2][Ring1][P][C][Branch1][C][F][Branch1][C][F][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][N][Branch1][Branch1][C][C][C][C][N][=Ring2][Ring1][=N] |
CHEMBL12418 | [C][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][=C][C][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][=Branch1][=Branch1][=C][Ring1][N][Ring1][Branch2][C][Ring1][#C] |
CHEMBL12419 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch2][Ring2][N][C][C][C][C][N][Branch2][Ring1][#C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][#C] |
CHEMBL12420 | [C][N][Branch1][C][C][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] |
CHEMBL3309315 | [C][O][C][=C][C][=C][Branch2][Branch1][Ring1][O][C][=C][C][=C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1][C][=C][Ring2][Ring1][O][F][C][=C][N][=C][Ring2][Ring2][Ring... |
CHEMBL12718 | [C][C][=C][C][=C][Branch2][Ring2][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][N][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][#C] |
CHEMBL12719 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][C@@H1][Branch1][C][C][N][C][C@@H1][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL12440 | [C][O][C][=C][C][Branch1][#Branch2][N][C][Branch1][C][C][C][C][C][N][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][P][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL12441 | [C][N][C][Branch1][C][O][=N][N][=C][Ring1][=Branch1][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][#C] |
CHEMBL1163439 | [C][C][C@H1][C][C][C][C@@][Branch1][C][C][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C@H1][C][=C][C@H1][Branch1][C][C][C@@H1][Ring1][P][Ring1][=Branch1] |
CHEMBL12442 | [C][C][O][N][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Ring1][Branch2][C][C][Branch1][C][N][C][=Branch1][C][=O][O] |
CHEMBL12463 | [C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][=N][N][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=Branch1][C][=O][C][Ring1][=C] |
CHEMBL12464 | [O][=C][Branch1][C][O][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][=N] |
CHEMBL12465 | [N][C][C][C][=C][N][Branch2][Ring2][C][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][NH1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Ring1][=N][C][C][=Branch1][C][=O][O][C][=Ring2][Ring1][Branch2] |
CHEMBL12215 | [C][O][C][=C][C][=C][Branch2][Ring2][=N][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=N][N][C][C][C][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][#Branch1][S][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][C][Ring1][P][C][C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][#C] |
CHEMBL12301 | [O][=P][Branch1][C][O][Branch1][C][O][C][Branch1][#C][N][C@H1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][C][=C][C][=N][C][Branch1][C][O][=C][Branch1][C][O][N][=C][Ring1][N][Ring1][Branch2] |
CHEMBL12302 | [C][C][C][=C][Branch2][Ring2][C][/C][=C][/C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][#C][O][N][=Ring2][Ring1][=Branch1] |
CHEMBL12421 | [C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][Branch1][C][O][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N][O][C][Ring2][Ring1][Ring1][=O] |
CHEMBL4543242 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][N][=N][O][C][=Ring1][=Branch1][C][C][=C][Ring2][Ring1][C] |
CHEMBL12500 | [C][C@][C][C][C@@H1][Branch1][C][O][C@@][Branch1][C][C][Branch1][Ring1][C][O][C@@H1][Ring1][#Branch2][C][C][C][C][C@@H1][C][C@@][Ring1][Branch1][Ring1][P][C][C][C@][Ring1][=Branch1][Branch1][C][O][C][O] |
CHEMBL12501 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][Ring1][C][C][C][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][C][Ring2][Ring1][Ring2] |
CHEMBL12502 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][S][Ring1][#Branch2] |
CHEMBL12503 | [O][=C][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][#C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][S][Ring2][Ring1][=N] |
CHEMBL12443 | [C][N][C][C][N][Branch2][Ring1][=N][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][=N][N][C][C][Ring2][Ring1][=Branch1] |
CHEMBL12444 | [C][O][C][=C][C][=C][Branch2][Ring1][S][O][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][#Branch2][N][C][Branch1][C][C][C][C][C][N][C][=N][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL12524 | [O][=C][Branch1][C][O][C][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][=N] |
CHEMBL1163444 | [O][=C][Branch1][P][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL12526 | [C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][C][Branch2][Ring1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][O][C][C] |
CHEMBL1163440 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring2][=C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][C][=Branch1][C][=O][O][C][=C][Ring2]... |
CHEMBL12547 | [C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring1][=C][C][S][C][C][C][C][C][C][C][C][C][C][S][C][C][=C][C][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][O][Ring1][=Branch2][O][Ring2][Ring1][N] |
CHEMBL12548 | [C][C][C][C][C][N][=C][Branch1][Branch1][C][C][C][C][N][Branch2][Ring2][Ring1][C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring2][Ring1][Ring1][N][=Ring2][Ring1][=N] |
CHEMBL12549 | [C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][=N][N][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1][C][=Branch1][C][=O][C][Ring2][Ring1][C] |
CHEMBL12304 | [C][=C][N][=C][C][Branch2][Ring2][=Branch2][C][C][C][N][C][C][C][=C][Branch2][Ring1][#Branch2][N][Branch1][N][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][#C] |
CHEMBL12679 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C@H1][Branch1][C][C][N][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL12680 | [C][N][C@H1][C][C][C@@H1][Ring1][Branch1][C][C@@H1][Branch2][Ring2][Ring1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=N][C][Ring2][Ring1][O] |
CHEMBL12681 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O] |
CHEMBL12504 | [C][N+1][Branch1][Ring2][C][C][Cl][Branch1][Ring2][C][C][Cl][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1].[Cl-1] |
CHEMBL12505 | [C][S][C][=C][C][=C][N][=C][S][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][Branch2][C][=Branch1][C][=O][C][Ring1][=N][=C][Ring1][P] |
CHEMBL12599 | [C][O][C][=C][C][=C][C][Branch1][Ring1][C][O][=C][Branch1][Ring1][C][O][C][Branch2][Ring1][Ring2][C][=C][C][=N][C][Branch1][#Branch2][N][C][=C][C][=C][C][Ring1][=Branch1][=O][=C][Ring1][=N][=C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][O][O][C] |
CHEMBL12602 | [C][O][C][O][C][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][=C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][N][=O][C][Ring2][Ring1][Branch2][O][C][Branch1][C][C][=O] |
CHEMBL12603 | [C][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][C][Ring1][#Branch1][=O][C][C][Ring2][Ring1][Ring2] |
CHEMBL12527 | [C][/N][=C][Branch1][Ring2][\N][C][#N][N][C][C][S][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] |
CHEMBL12529 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][N][C][C][N][Branch1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C][C][C][Ring1][S] |
CHEMBL12625 | [C][C][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=C][Ring2][Ring1][Ring1][C][Ring2][Ring1][Branch1][C][=Branch1][C][=O][O][C][C][Si][Branch1][C][C][Branch1][C][C][C] |
CHEMBL12626 | [C][C][=C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][N][Ring1][#Branch1] |
CHEMBL12627 | [O][=S][=Branch1][C][=O][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL12550 | [O][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][=C][NH1][C][=N][Ring1][Branch1] |
CHEMBL12551 | [O][=C][Branch2][Ring1][=Branch1][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][=C][NH1][C][=N][Ring1][Branch1] |
CHEMBL12648 | [C][N][C][C][=C][Branch2][Ring2][Ring1][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch2][C][C][Ring2][Ring1][=Branch2] |
CHEMBL12649 | [C][N][/C][=Branch1][#Branch1][=C][/N+1][=Branch1][C][=O][O-1][N][C][C][S][C][C][=C][C][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][O][Ring1][=Branch2] |
CHEMBL12682 | [O][=C][O][C][C][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][N][=O][C][C][Ring1][#C] |
CHEMBL12684 | [O][=N][N][Branch1][Ring2][C][C][Cl][C][=Branch1][C][=O][N][C][C][C][C][Branch1][Ring1][C][Cl][C][C][Ring1][Branch2] |
CHEMBL12685 | [C][C][C][C][C@@][Branch1][Branch1][O][C][Ring1][=Branch1][O][C@H1][C][C@@][Branch1][C][O][C@@H1][C][C][=C][C][C@@H1][Branch2][=Branch1][P][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch2][Branch1][N][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][Ring2][O][C@H1][O][C@@H1][B... |
CHEMBL12401 | [C][C][C][C][N][C][=C][C][=C][C][Ring1][=Branch1][=O] |
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