chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL13803 | [O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][C][I][=C][C][=Branch1][=Branch1][=C][Ring1][=C][Ring1][#Branch2][C][Ring2][Ring1][C][=O] |
CHEMBL13805 | [C][C][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][N][Branch1][C][C][C][C][=Branch1][C][=O][C@@H1][C][C@@H1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][NH1][C][=C][Branch1][=Branch1][C][Ring1][=N][=Ring1][Branch1][C][C@H1][Ring1][S][N][Branch1][C][C][C][Ring2][Ring1][Branch1] |
CHEMBL13806 | [C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][S][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] |
CHEMBL13495 | [C][C][C@@][Branch1][C][O][C][=Branch1][C][=O][O][C][C][=C][Ring1][Branch2][C][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][=C][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][Ring1][#C] |
CHEMBL13496 | [C][C][C][N][C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2].[Cl] |
CHEMBL3309597 | [C][C][C@H1][Branch1][C][C][C@@H1][Branch1][P][C][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][N][C][=C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1] |
CHEMBL13821 | [C][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl].[Cl] |
CHEMBL13822 | [Cl].[N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] |
CHEMBL13823 | [N][=C][Branch1][C][N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CHEMBL13824 | [C][O][C][=C][C][=C][C][=C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][=C][C][Ring1][O][=C][Ring1][#C] |
CHEMBL13825 | [Cl].[N][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl] |
CHEMBL13521 | [C][O][C][C][C][N][C][=Branch1][C][=O][N][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] |
CHEMBL13522 | [C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][S][C][C][=C][C][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][O][Ring1][=Branch2][O][Ring1][P] |
CHEMBL3309466 | [O][=C][C][S][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O] |
CHEMBL3309467 | [C][C][N][=C][S][C][=Ring1][Branch1][C][S][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O] |
CHEMBL13555 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][S][C][=Branch1][C][=S][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][S][=C][Ring2][Ring1][#Branch2] |
CHEMBL13556 | [C][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O] |
CHEMBL13558 | [C][C][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1].[Cl] |
CHEMBL13559 | [N][C@@H1][C][C@H1][Ring1][Ring1][C][=C][NH1][C][=N][Ring1][Branch1] |
CHEMBL13663 | [C][N][C][C][N][Branch2][Ring1][#C][C][=N][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][O][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch2] |
CHEMBL13664 | [C][C][C@H1][Branch2][Branch1][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C@@H1][Branch1][C]... |
CHEMBL13665 | [C][C][Branch1][C][C][C][C@@H1][Branch2][Branch1][=Branch2][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@][Branch1][C][C][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring... |
CHEMBL13666 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C] |
CHEMBL13584 | [O][=C][Branch1][C][O][C][C][=C][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][S][C][=Ring2][Ring1][Ring1] |
CHEMBL13585 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][=C][O][C][O][Ring1][#Branch1] |
CHEMBL13686 | [O][=C][Branch2][Ring1][S][N][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Ring1][P][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Br] |
CHEMBL13687 | [C][C][Branch1][C][C][Branch1][C][N][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][C][C][C][Branch1][P][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][Ring1][S] |
CHEMBL13497 | [C][C][C][C][=C][Branch1][C][O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][Ring2][Ring1][=Branch2][=O] |
CHEMBL13498 | [C][O][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL13499 | [C][N][C][C@@H1][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C@H1][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring2][Ring1][Branch1] |
CHEMBL13500 | [Cl].[N][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL13607 | [C][C][Branch1][C][C][C][S][C][C][C][C][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][C][Branch1][C][O][C][Ring1][S][O] |
CHEMBL13523 | [C][C][C@@][Branch1][C][O][C][=Branch1][C][=O][O][C][C][=C][Ring1][Branch2][C][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][=C][Ring1][#Branch1][N][=C][C][=N][C][Branch1][Branch1][C][#C][C][N][=C][C][Ring1][#Branch2][=C][Ring1][=C][C] |
CHEMBL13524 | [C][C][=Branch1][C][=O][C@@][O][C][Branch1][C][C][Branch2][Ring1][=Branch1][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F][O][C@@H1][Ring1][P][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][C][C@@][Ring1][S][Ring2... |
CHEMBL13634 | [C][C][C][C][N][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl].[Cl] |
CHEMBL13635 | [C][C@@H1][Branch1][C][O][C][C][O][C][=C][C][=C][C][=C][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O] |
CHEMBL13636 | [C][C][N][=C][Branch1][C][N][N][=C][Branch1][C][N][N][Ring1][Branch2][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CHEMBL3309468 | [N][#C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][S][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][=C][Ring2][Ring1][Ring2] |
CHEMBL3309502 | [C][C][O][C][=N][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2][O][Ring2][Ring1][#Branch1] |
CHEMBL13667 | [C][O][C][C][N][Branch1][Branch1][C][C][O][C][C][Branch1][Branch1][C][C][S][C][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][C][C][C][=C][Ring1][=Branch2][O][C] |
CHEMBL13668 | [C][N][C][C][C][=C][C][Branch1][C][Cl][=C][Branch1][C][O][C][=C][Ring1][Branch2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring1] |
CHEMBL13669 | [C][C][=C][C][Branch1][C][C][=C][Branch2][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][Branch2][Ring2][=C][C][C@@][Branch1][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=Branch1][C][=O][N][C@H1][Branch1]... |
CHEMBL13670 | [C][=C][C][=C][Branch1][=Branch2][C][=N][C][C][C][N][Ring1][=Branch1][C][=C][Ring1][N] |
CHEMBL13751 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][Branch1][S][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P] |
CHEMBL13752 | [C][C][C][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2].[Cl] |
CHEMBL13753 | [C][C][Branch1][C][C][C][Branch2][Branch1][=Branch2][N][C][=Branch1][C][=O][C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][C][=Branch1][C][=O][N][Branch1][S][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][C][=Ring2][Ring1][Ring1][C][Ring2][Ring1][=N... |
CHEMBL13688 | [C][C@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1] |
CHEMBL13689 | [C][=C][C][=C][Branch2][Ring1][Ring1][O][C][=C][C][=C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][O][C][=C][Ring2][Ring1][C] |
CHEMBL13587 | [C][N][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2].[Cl] |
CHEMBL13779 | [C][O][C][=Branch1][C][=O][N][/N][=C][/C][=C][N+1][Branch1][C][O-1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N+1][Ring1][O][O-1] |
CHEMBL13780 | [C][C][N][Branch1][Ring1][C][C][C][=N][C][Branch2][Ring1][Ring1][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2] |
CHEMBL3309549 | [C][C@H1][Branch1][C][O][C][N][C][=N][C][=C][C][Branch2][Ring2][S][N][C][=C][N][=C][Ring1][Branch1][C][C][=C][C][=C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][=C][Ring2][Ring1][Branch1][=N][Ring2][Ring1][P] |
CHEMBL13608 | [C][C][NH1][C][Branch2][Ring1][Branch1][/C][=C][\C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][O][=C][Branch1][C][C][C][=Ring2][Ring1][C][C][=Branch1][C][=O][N][C][C][N][C][C][C][C][Ring1][Branch1] |
CHEMBL13609 | [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][C][=Branch1][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1] |
CHEMBL13611 | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=C][O][N][=Ring1][Branch1][=C][Ring1][#C][N][C][C][=C][O][N][=Ring1][Branch1] |
CHEMBL13707 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][C][C][=C][Branch1][=Branch2][N][=C][Ring1][Branch2][C][=N][Ring1][N][C][=C][C][=C][Branch1][O][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring1][=C][C][O][C][=Branch1][C][=O][C@][Ring1][O][Branch1][C][O][C][C] |
CHEMBL13709 | [O][=C][Branch1][S][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][C][C][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring2][Ring1][C] |
CHEMBL13637 | [O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][N][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#C][O] |
CHEMBL13638 | [N][#C][C][=C][C][=C][C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][C][Ring2][Ring1][C][=C][Ring2][Ring1][N] |
CHEMBL13639 | [C][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][C][C][N][Ring1][Branch1] |
CHEMBL13733 | [C][C][=Branch1][C][=O][C@@][O][C][Branch1][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C@@H1][Ring1][=N][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][C][C@@][Ring1][S][Ring2][Ring1][=C][C] |
CHEMBL4543304 | [C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][=Branch2][S][C][Branch1][C][N][=C][Ring2][Ring1][C][C][Branch1][C][N][=O] |
CHEMBL3309503 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] |
CHEMBL3309506 | [C][N][C][=Branch1][C][=O][C][C][C][=C][Ring1][#Branch1][C@@H1][O][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C@@][Ring1][#Branch2][C][C][N][Branch1][C][C][C@H1][Branch1][Ring2][C][Ring1][=Branch2][C@][Ring1][Branch2][Branch1][C][O][C][Ring2][Ring1][Branch1] |
CHEMBL13754 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][P][C][C][N][C][=Branch1][C][=O][NH1][C][S][C][Branch1][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][C][Ring1][P][=O][C][C][Ring2][Ring1][#Branch2] |
CHEMBL544 | [C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] |
CHEMBL13755 | [O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][N][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][Cl][=C][Ring1][O][N][=C][Ring1][S][O] |
CHEMBL13756 | [C][C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][O][N][C][=Branch1][C][=O][N][C][C][C][C][=C][Ring1][=C] |
CHEMBL13848 | [C][C][C][=C][C][=Branch1][S][=N][C][=C][N][=C][Branch1][Ring1][C][N][C][=C][Ring1][N][Ring1][Branch2][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring2][Ring1][Ring1][C][O][C][=Branch1][C][=O][C@][Ring1][O][Branch1][C][O][C][C] |
CHEMBL13781 | [C][C][N][Branch1][Ring1][C][C][C][=N][C][Branch2][Ring1][Branch1][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O] |
CHEMBL13782 | [C][C][Branch1][C][C][Branch1][C][C][N] |
CHEMBL13783 | [C][C][S][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][N][=C][Ring1][#Branch1][N][Ring1][=N][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] |
CHEMBL4543313 | [F][C][Branch1][C][F][Branch1][C][F][Se][C][C][O][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N] |
CHEMBL13784 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][N] |
CHEMBL13873 | [C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][Ring1][#C] |
CHEMBL13874 | [C][C][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Br].[Cl] |
CHEMBL13875 | [Cl].[N][#C][C][=C][C][=C][C][Branch1][Ring1][C][N][=C][Ring1][Branch2] |
CHEMBL13711 | [C][C][C][C][C][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1].[Cl] |
CHEMBL13712 | [O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][Ring1][O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] |
CHEMBL13713 | [C][C@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2] |
CHEMBL13809 | [C][=C][C][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][O][C][=C][Ring1][P] |
CHEMBL13734 | [C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][#Branch1][N][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][N][Ring1][=N][C][... |
CHEMBL13735 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][Ring2][C][C][N][C][=Branch1][C][=O][NH1][C][S][C][=C][C][=Ring1][Branch1][C][Ring1][#Branch2][=O][C][C][Ring2][Ring1][Ring1] |
CHEMBL13736 | [C][C][Branch1][C][C][O][C][=C][C][=N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1] |
CHEMBL13826 | [C][O][C][=C][C][=C][Branch2][Ring2][=C][C][=C][N][=C][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][Branch1][C][C][C][C][=C][Ring2][Ring1][C][O][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N] |
CHEMBL13849 | [C][O][C][=C][C][=C][Branch2][Ring2][N][C][=C][S][C][Branch2][Ring1][P][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][=C][Ring1][P][=N][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL13850 | [C][C][=C][C][=C][Branch2][Ring2][#Branch2][O][C][=N][C][=C][C][Branch2][Ring1][=N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][N][Ring1][N][C][C][C][N][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2][C][Branch1][C][C][=C][Ring2][Ring1][S] |
CHEMBL13851 | [C][C][N][Branch1][C][C][C][=Branch1][C][=S][S][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] |
CHEMBL13852 | [C][=C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Branch1][#Branch2][O][C][C][=N][C][C][N][Ring1][Branch1][=C][Ring1][S] |
CHEMBL13853 | [C][C][N][C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2].[Cl] |
CHEMBL13560 | [C][C@@H1][Branch2][Ring1][Branch2][N][C][C][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][Branch1][C][Cl][=C][Ring1][N][C@@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] |
CHEMBL13786 | [C][S][C][C][C@H1][Branch2][Branch1][Ring1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O] |
CHEMBL13787 | [C][C][C][=C][C][=Branch1][S][=N][C][=C][N][=C][Branch1][Ring1][C][#N][C][=C][Ring1][N][Ring1][Branch2][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring2][Ring1][Ring1][C][O][C][=Branch1][C][=O][C@][Ring1][O][Branch1][C][O][C][C] |
CHEMBL13788 | [C][O][C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][=Branch1][C][=Ring2][Ring1][O][Cl] |
CHEMBL13789 | [C][=C][C][=C][Branch2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1] |
CHEMBL13810 | [C][N][C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][S] |
CHEMBL13811 | [C][C@@H1][C][C@@H1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][NH1][C][=C][Branch1][=Branch1][C][Ring1][=N][=Ring1][Branch1][C][C@H1][Ring1][S][N][Branch1][C][C][C][Ring2][Ring1][Branch1] |
CHEMBL13812 | [C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Branch1][Ring2][=C][Ring1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][Branch2] |
CHEMBL13501 | [C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] |
CHEMBL13502 | [C][O][C][=C][C][Branch1][C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][O][C][=Branch1][C][=O][C][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1] |
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