chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4250945 | [C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][O][C][=C][C][=Branch2][Ring1][=Branch1][=C][Branch1][C][C][C][Branch1][C][O][=C][Ring1][Branch2][C@@][Ring1][O][Branch1][C][C][C][Ring1][P][=O][O][/C][=Branch1][O][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][Ring2][Ring1][=Branch1][=O] |
CHEMBL4250950 | [O][=C][C][=C][Branch1][#C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][O][Ring1][#Branch1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1] |
CHEMBL4250951 | [O][=C][NH1][C][=N][C][=C][C][=C][Branch1][=C][C][C][=N][N][C][=C][C][=C][C][=Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][Ring1][#C] |
CHEMBL4251250 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch2][Ring1][=N][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][N][C][=C][Ring2][Ring1][=Branch1][C][Ring2][Ring1][=Branch2] |
CHEMBL4251253 | [N][#C][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2] |
CHEMBL4251254 | [C][C][O][P][=Branch1][C][=O][Branch2][Ring1][S][C][C][C][C][C][C][C][C][N][N][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][O][C][C] |
CHEMBL4251258 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][=C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=C] |
CHEMBL4251259 | [C][O][C][=C][C][=C][Branch1][O][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch2][C@@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][C][Ring2][Ring1][P] |
CHEMBL4251484 | [C][=C][C][=C][Branch2][Ring1][Ring2][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][=N][C][C][S][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4251485 | [C][C][C][Branch1][C][C][C][C][C][C][C][=C][O][C][=Branch1][C][=O][C][Branch1][C][C][=C][Ring1][Branch2][O] |
CHEMBL4251487 | [C][O][C][=C][C][Branch2][Ring1][O][/C][=C][/C][=Branch1][C][=O][N][C][C][C][/C][=Branch1][#Branch2][=C][\C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring1][=N][=O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch2][O][C] |
CHEMBL4251489 | [C][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][Branch2][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][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][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C] |
CHEMBL4251492 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch2][Ring2][#Branch1][C][N][N][=C][Branch2][Ring1][C][C][=C][C][=C][C][=C][Branch1][C][O][C][=C][C][Ring1][#Branch1][=C][Ring1][O][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring2][Ring1][Branch1][=N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring2][Ring1][P][=O] |
CHEMBL4251497 | [C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring2][Ring1][C][S][C][=Branch1][C][=S][N][C][C][C][C][C][P][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CHEMBL4277402 | [O][=C][/C][=Branch2][Ring1][O][=C][Branch1][O][\N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][N][=C][N][Ring2][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4277403 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch2][Ring1][=Branch2][=N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Ring2][Ring1][Branch1] |
CHEMBL4277404 | [C][C][Branch1][C][C][N][C][C][N][Branch2][Branch1][Ring1][C][Branch2][Ring2][=Branch2][C][N][C][C][C][N][Branch2][Ring1][O][C][=C][C][=C][C][Branch1][P][C][=C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][=C][Ring1][S][C][C][Ring2][Ring1][=Branch1][C][O][C][Ring2][Ring1][N][C][C][Ring2][Ring2][C] |
CHEMBL4277405 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring1][S][C][C][Branch1][C][O][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#C][C][C][C][Ring1][Ring1] |
CHEMBL4277406 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][Branch2][C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][=O][C][C][Ring2][Ring1][Ring1] |
CHEMBL4277487 | [C][C][=N][C][=C][Branch1][C][F][C][=C][Branch2][Ring2][Ring2][C][=N][C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][Branch1][N][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=N][Ring1][=N][=N][C][=C][Ring2][Ring1][Ring2][F][C][=C][Ring2][Ring1][N][C][Ring2][Ring1][#C][Branch1][C][C][C] |
CHEMBL4277488 | [N][C][=C][C][=C][Branch2][Ring1][=Branch2][/C][=C][/C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][=O][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4277489 | [C][C][C@H1][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][#Branch1][O][C@H1][C][C@@][Branch1][C][C][Branch1][Ring1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][C][O][Ring1][O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][C][C][C][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring1][#Branch2][O][C@][Branch1][C][C][Branch1][C][O][C][C@@H1][Branch1][C][C][C][N][Branch1][#C][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@][Ring2][Branch1][=Branch2][Branch1][C][C][O] |
CHEMBL4277490 | [O][=C][Branch2][Ring1][Ring1][N][/N][=C][/C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N][C][=C][C][=C][Branch1][#C][O][C][=C][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][Branch1][C][F][=C][Ring1][P] |
CHEMBL4277491 | [N][C][O][C][=C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=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] |
CHEMBL4277578 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][Ring1][O][N][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][Branch2][O][C][C][C][C][C][Ring1][Branch1] |
CHEMBL4277579 | [C][N][Branch1][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=C][C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][=C][C][=C][C][Ring1][=Branch1][C][Ring1][P][=O][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4277580 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][O][C][Ring1][=C][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4277667 | [C][O][C][=C][C][=C][Branch2][Ring1][P][/C][=C][Branch1][C][\Cl][S][=Branch1][C][=O][=Branch1][C][=O][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] |
CHEMBL4277668 | [C][C][C][=C][C][=C][Branch1][C][O][C][Branch2][=Branch1][S][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch2][Branch1][=C][O][C][C][C][C][C][=C][N][Branch2][Ring2][=C][C][C][O][C][C][O][C][=C][C][=C][C][Branch2][Ring1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch2][N][=N][Ring2][Ring2][Ring2][C][=C][Ring2][Ring2][#C][=C][Ring2][Branch1][#Branch2] |
CHEMBL4277669 | [C][C][Branch1][C][C][=C][C][C][/C][Branch1][C][C][=C][/C][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][C][Branch1][Ring2][/C][=N][/O][=C][Ring1][O][O] |
CHEMBL4277670 | [C][C][C][C][N][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=C] |
CHEMBL4277671 | [C][S][C][C@H1][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] |
CHEMBL4277745 | [N][C][O][C][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][=C][C][=C][Ring1][S][C][=Ring2][Ring1][Ring1][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL4277746 | [C][O][C][=C][C][Branch2][Ring1][#C][C][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][O][C][=C][Ring1][=Branch2][C][=C][C][=C][C][=C][Branch1][C][N][N][=C][Ring1][O][Ring1][#Branch1][=C][C][Branch1][C][Br][=C][Ring2][Ring1][=Branch2][O][C] |
CHEMBL4277747 | [O][=C][Branch2][Ring1][C][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][C][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][N][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][Ring1][S] |
CHEMBL4277748 | [F][C][Branch1][C][F][C][C][C][Branch2][Ring2][#C][N][C][=N][C][Branch1][#C][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][=N][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][S][Ring1][=Branch2][=N][Ring2][Ring1][#Branch1][C][Ring2][Ring1][=C] |
CHEMBL4276687 | [C][O][C][=C][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][=C][Ring2][Ring1][Ring1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=N][O][C] |
CHEMBL4276688 | [C][C][N][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][O][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][Branch1][O][C][S][C][C][Branch1][C][C][=C][Ring1][O][=C][N][Ring2][Ring1][Branch1][C][C] |
CHEMBL4276689 | [Cl][C][=C][C][=C][Branch2][Ring1][=C][C][N][=C][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][N][Ring1][=Branch2][C][=Ring1][N][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4276690 | [C][C@H1][Branch1][C][O][C@H1][Branch1][C][N][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2].[Cl] |
CHEMBL4276760 | [O][=C][Branch2][Ring1][Ring1][O][C][=C][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1] |
CHEMBL4276761 | [C][O][C][C][N][C@H1][C][C][C@H1][Branch2][Ring2][Ring1][N][C][=C][C][Branch2][Ring1][Ring1][C][=C][S][C][Branch1][#Branch2][N][C][C][C][C][O][C][Ring1][Branch1][=N][Ring1][N][=C][Branch1][C][Cl][C][=N][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][#Branch2] |
CHEMBL4276762 | [C][C][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][N][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=N][Ring1][N][O][Ring2][Ring1][#C] |
CHEMBL4276763 | [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][Branch1][Ring1][C][#N][C][=N][N][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Ring2][Ring1][Branch2][=C][Ring2][Ring1][N] |
CHEMBL4276852 | [C][O][C][=C][C][Branch2][Ring1][=C][C][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][O][C][=C][C][NH1][C][Branch1][C][N][=N][C][=Ring1][=Branch1][C][=C][Ring1][#Branch2][Ring1][P][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch2][O][C] |
CHEMBL4276853 | [C][O][C][=C][C][=C][C][=C][Branch2][Ring1][Branch1][C][Branch1][C][C][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][=O][C][=C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4276854 | [C][C][#C][N][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][C][C][C][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring1][#Branch2][O][C@][Branch1][C][C][Branch1][Ring1][O][C][C][C@@H1][Branch1][C][C][/C][=Branch1][=N][=N][/O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@][Branch1][C][C][Branch1][C][O][C@@H1][Branch1][Ring1][C][C][O][C][=Branch1][C][=O][C@@H1][Ring2][Ring2][S][C] |
CHEMBL4276855 | [C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][=C][Ring1][#C] |
CHEMBL4276856 | [O][=C][C][C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C] |
CHEMBL4276857 | [C][O][C][=C][C][Branch2][#Branch1][Ring2][/C][=C][/C][=N+1][C][=Branch2][=Branch1][Ring1][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][Branch1][C][C][C][Branch1][C][I][=C][Branch2][Ring1][Branch2][/C][=C][/C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][N+1][=Branch1][C][=O][O-1][N][Ring2][Ring1][=Branch1][B-1][Ring2][Ring2][Ring1][Branch1][C][F][F][C][Branch1][C][C][=C][Ring2][Ring2][=Branch2][I][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring2][Branch1][Branch1][O][C] |
CHEMBL4276933 | [C][O][C][=N][C][=C][Branch2][Ring1][Branch1][C][C][=C][C][=N][C][=C][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][Branch2][C][=Ring1][N][C][=C][Ring2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] |
CHEMBL4276934 | [O][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][O][=C][Ring1][=Branch2][F] |
CHEMBL4276935 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][Ring1][N][N][=Ring2][Ring1][Ring2] |
CHEMBL4276936 | [Cl][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=C][C][Branch1][#C][N][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][=N][C][=N][Ring1][S][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4277016 | [C][C][Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C@@][Branch1][C][C][C][C][C][C@@][Branch1][C][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@@H1][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][#Branch2] |
CHEMBL4277017 | [C][C][Branch1][C][C][C][N][C][C@@H1][Branch1][C][C][C@H1][Branch2][Ring1][O][C][=N][C][=C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][Ring1][S][C][Ring2][Ring1][=Branch1] |
CHEMBL4277018 | [C][C][NH1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][C][C][Branch1][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1].[Cl] |
CHEMBL4277019 | [C][N][C][=Branch1][C][=O][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][O][C][Branch1][C][N][=C][Branch1][Ring1][C][#N][C][Ring1][#C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1] |
CHEMBL4277020 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][Branch2][Ring2][S][N][C][=N][C][Branch1][#C][N][C][C][C][C][Branch1][C][F][Branch1][C][F][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][Branch2][C][Ring2][Ring1][#C] |
CHEMBL4277097 | [C][C][Branch1][C][C][O][P][=Branch1][C][=O][Branch1][#Branch1][O][C][Branch1][C][C][C][C][Branch1][P][C][=C][NH1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][=C][NH1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1] |
CHEMBL4277098 | [C][N][Branch1][=C][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C@H1][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=C][C][C][Ring1][Ring1] |
CHEMBL4277099 | [C][N][Branch1][=C][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C@H1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][C][Ring1][S][C][C][Ring1][Ring1] |
CHEMBL4277100 | [C][O][C][=C][C][=C][Branch2][Branch1][Branch2][C][=Branch1][C][=O][C][=C][N][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][O][C][C][O][C][C][N][C][Branch1][C][C][=O][C][=C][Ring2][Ring2][C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring2][#Branch2] |
CHEMBL4277101 | [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][S][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C] |
CHEMBL4277102 | [C][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][/C][=Branch1][O][=C][\C][=C][\C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][N][C][Ring1][S][=S][C][=C][Ring2][Ring1][#Branch1][Cl] |
CHEMBL4277183 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=C][Branch2][Ring1][C][C][N][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][Ring1][#Branch2][N][Ring2][Ring1][Branch2][C][=Ring2][Ring1][N] |
CHEMBL4277184 | [N][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4277185 | [C][O][C][=C][C][=C][C][=C][C][=C][Branch1][#Branch1][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][Branch1][=Branch2][C][C][N][C][Branch1][C][C][=O][C][C][Ring1][=N] |
CHEMBL4277186 | [C][C][O][C][=Branch1][C][=O][O][C@@H1][C][=C][C@][Branch2][=Branch1][Ring2][O][C@H1][Branch2][Branch1][Branch1][C@@H1][Branch1][Ring1][C][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][Ring2][C@@H1][Branch1][Ring1][C][C][C][=Branch1][C][=O][O][C][C][Branch1][C][F][Branch1][C][F][F][C][C][C@@H1][Ring1][P][C][C@@H1][Branch1][C][C][C][C@H1][Ring2][Ring2][Ring2][C][O][C@@][Ring2][Ring2][#Branch2][C][C][C@@][Branch1][C][C][Branch2][Ring1][Ring1][C@H1][C][C][C@][Branch1][C][O][Branch1][Ring1][C][C][C@H1][Branch1][C][C][O][Ring1][#Branch2][O][Ring1][S] |
CHEMBL4277187 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Branch2][Branch2][=N][C][O][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][C@H1][Branch2][Ring2][O][O][C@@H1][O][C@H1][Branch2][Ring1][C][C][O][C@@H1][O][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Ring1][Branch2][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][Ring1][N][C][Branch1][C][C][=O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring1][P][C][C][C@@][Ring2][Ring2][Branch1][Branch1][C][C][C@][Ring2][Ring2][#Branch2][Branch1][C][C][C][C][Ring2][Branch1][Branch1][N][=N][Ring2][Branch1][=C] |
CHEMBL4277188 | [Cl][C][=C][C][=C][Branch2][Ring2][=Branch2][N][C][=C][Branch2][Ring1][=C][C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][=N][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C] |
CHEMBL4277276 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][C][N][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][#C][C][=C][Ring2][Ring1][=N] |
CHEMBL4277277 | [C][S][C][=N][N][=C][Branch2][Ring1][#Branch2][C][O][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring1][=N][O][Ring2][Ring1][Ring2] |
CHEMBL4277278 | [O][=C][Branch2][Ring1][O][N][C][C][=C][C][=C][C][Branch1][#C][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][C][C][Ring1][=Branch1][=C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4277279 | [C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C@H1][Branch2][=Branch1][O][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C@@][Branch1][C][C][Branch2][Ring2][=Branch2][C][O][C][=Branch1][C][=O][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][Branch2][N][Branch1][Ring1][C][C][C][C][C][=C][Ring1][O][O][C][Ring1][#C][=O][C@@H1][Ring2][Ring2][Branch1][C][C][C@][Ring2][Ring2][=Branch2][Ring2][Ring2][=C][C][C@@H1][Ring2][Branch1][=Branch2][Ring2][Branch1][=Branch1] |
CHEMBL4277280 | [C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][C][O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][P] |
CHEMBL4277281 | [C][C][=C][C][=C][Branch1][S][C][N][C@H1][C][C@@H1][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P][Cl] |
CHEMBL4237309 | [O][=C][Branch2][Ring1][P][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][#C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][N] |
CHEMBL4237310 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Branch1][C][Br][C][Ring1][P][=O] |
CHEMBL4237311 | [C][C][C][C][=C][C][=C][N][=C][C][Branch1][C][O][=C][Branch1][C][Br][C][=C][Branch1][C][Br][C][Ring1][=Branch2][=N][C][Ring1][=N][=C][Ring1][P] |
CHEMBL4237322 | [O][=C][Branch1][C][O][C][C][=C][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Ring1][=C][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4237331 | [C][O][C][=C][C][=C][Branch2][Ring2][P][N][C][=Branch1][C][=O][N][C@H1][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch2][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring2][Ring1] |
CHEMBL4237560 | [O][=C][Branch1][=C][C][=C][C][=C][C][=N][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Ring2][Ring1][C] |
CHEMBL4237565 | [O][=C][Branch1][C][O][C][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=C][C][=C][Ring1][O][O] |
CHEMBL4237568 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][=C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][Ring2][C][Branch1][C][F][=C][Ring2][Ring1][P] |
CHEMBL4237570 | [C][C][=C][C][=C][Branch2][Ring2][#Branch1][C][Branch1][#Branch1][C][N+1][=Branch1][C][=O][O-1][S][C][=Branch1][C][=S][N][C][C@@H1][C][C@H1][Ring1][Branch1][C][N][Ring1][Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][N] |
CHEMBL4237571 | [C][N+1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring1][#Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N+1][Branch1][C][C][C][=C][Ring1][#Branch1][Ring1][=C][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O].[I-1].[I-1] |
CHEMBL4237804 | [C][C][Branch2][Ring1][=Branch2][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][O][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4237810 | [C][O][C][=Branch1][C][=O][C@@H1][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][=C][Ring2][Ring1][Branch1] |
CHEMBL4237811 | [C][C][Branch1][C][C][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][#Branch1] |
CHEMBL4237812 | [O][=C][Branch1][C][O][C][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O] |
CHEMBL4237815 | [C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][=C][C][S][C][=Branch1][C][=S][N][C][C][C][C][P][=Branch1][C][=O][Branch1][#Branch1][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL4237816 | [C][C][C][=C][C][=Branch1][#C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][O][Ring1][#Branch1][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring2][Ring1][C][C][O][C][=Branch1][C][=O][C@@][Ring1][O][Branch1][Ring1][C][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][O] |
CHEMBL4238137 | [O][=C][C][Branch1][C][O][=C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][C][C][C][C][N][Ring2][Ring1][C][Ring1][Branch1] |
CHEMBL4238138 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][=C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C] |
CHEMBL4238139 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][N][C][Ring2][Ring1][#Branch1][=O][C][=C][Ring2][Ring1][=C] |
CHEMBL4238141 | [N][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@@H1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][Ring1][=N] |
CHEMBL4238382 | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][C][C][S][C][=N][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2] |
CHEMBL4238387 | [C][C][=Branch1][C][=O][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][#Branch1][N][C][=Branch1][C][=N][N][C][=C][Ring1][#Branch2] |
CHEMBL4238388 | [O][=C][Branch1][=C][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][N][C][C][N][Branch1][=C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C] |
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