chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4250492 | [N][C@@H1][Branch2][Ring1][Ring2][C][C][N][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=N][Ring1][O][C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][F] |
CHEMBL4250493 | [O][=C][N][C][=Branch1][C][=S][N][C][=Branch1][C][=O][C][Ring1][Branch2][=C][/C][=N][/N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4250825 | [N][#C][C][=C][C][=C][Branch2][Ring1][=C][N][C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Ring1][#C][N][=C][Ring2][Ring1][=Branch1] |
CHEMBL4250827 | [C][C][=C][C][=Branch2][Ring1][C][=N][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][=C][Ring1][#Branch2][C][=C][Branch1][=N][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][O][C][Ring2][Ring1][=Branch2].[Cl] |
CHEMBL4250832 | [C][O][C][=C][C][=N][C][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Ring1][#C][C][=C][Ring2][Ring1][Ring1][O][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][Branch1][C][C][C] |
CHEMBL4250833 | [O][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][Branch2][Ring1][#C][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4250836 | [C][C][Branch1][C][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Branch1][C][N][=O] |
CHEMBL4251158 | [C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][Se][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2] |
CHEMBL4251169 | [C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][S][O][C][=Branch1][C][=O][C@@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][=C][Ring2][Ring1][C] |
CHEMBL4251170 | [C][C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][S][C][=Ring1][#C][C][=C][C][=N][C][Branch1][#Branch2][N][C][C][Branch1][C][O][C][Ring1][Branch1][=N][Ring1][O] |
CHEMBL4251179 | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch2][Ring1][Branch2][N][/N][=C][\C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][N][N][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][=Ring2][Ring1][=Branch2][C] |
CHEMBL4251413 | [C][O][C][=C][C][=C][Branch2][Ring1][P][C][C][=C][Branch2][Ring1][=Branch1][C][N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][N][=N][Ring1][N][O][N][=Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][O][C] |
CHEMBL4251414 | [C][C][C][C][=N][C][=C][C][Branch2][Ring2][=C][C][=Branch1][C][=O][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][=C][C][Branch1][C][C][=C][Ring2][Ring1][=C][NH1][Ring2][Ring1][P] |
CHEMBL4251415 | [C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][C][=C][C][=C][Branch2][Ring1][C][O][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][C][C][C][Branch1][C][C][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4251418 | [N][C][=Branch1][C][=O][C][N][=N][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=Ring1][#C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4251419 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][O][O] |
CHEMBL4251421 | [O][=C][Branch1][O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl][C][=C][C][Branch2][Ring1][#Branch2][N][Branch1][P][C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][=Branch1][C][=O][C][Cl][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][=Branch2] |
CHEMBL4277369 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4277370 | [C][N][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][Branch1][=Branch2][C][N][=N][NH1][C][=Ring1][Branch1][F][=C][C][=N][Ring1][N][=C][Ring1][P][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][C][C][C][Ring1][Ring1] |
CHEMBL4277371 | [O][=C][Branch1][=N][N][C][=N][C][Branch1][Ring1][C][O][=C][S][Ring1][#Branch1][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][C] |
CHEMBL4277372 | [C][O][C][=C][C][Branch2][Branch1][C][C][=N][C][Branch2][Ring1][O][/C][=C][/C][=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][=C][Ring2][Ring1][=Branch1][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][C][=C][Ring2][Ring2][Ring1][F] |
CHEMBL4277373 | [C][N][Branch1][C][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=C][\C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O] |
CHEMBL4293471 | [C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][/C][Ring1][N][=C][\C][=C][C][=N][C][=C][Ring1][=Branch1] |
CHEMBL4293472 | [C][O][C][=C][C][Branch2][Ring1][=C][C][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][=N][O][C][C][N][Ring1][Branch2][=C][C][Branch1][C][Br][=C][Ring2][Ring1][Branch2][O][C] |
CHEMBL4293473 | [O][=C][Branch1][S][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][=N][C][=C][N][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4293474 | [F][C][Branch1][C][F][C][C][C][Branch2][Ring2][=Branch2][N][C][=N][C][Branch1][S][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][=N][C][Branch1][N][C][=C][C][Branch1][C][Cl][=C][C][=N][Ring1][#Branch1][=N][Ring2][Ring1][=Branch1][C][C][Ring2][Ring1][=C] |
CHEMBL4293557 | [C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Ring1][=N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2] |
CHEMBL4293558 | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][Branch2][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][C][Branch3][Ring1][C][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C][C][Branch2][O][C][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][C][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@@H1][Branch2][Branch1][Ring2][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][N][=C][NH1][Ring1][Branch1][C][Branch1][C][C][C][C][Branch1][C][C][O][C][Branch1][C][C][O][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C] |
CHEMBL4293559 | [O][=C][Branch2][Ring1][N][C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][C][C][C][Ring1][Branch1][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
CHEMBL4293560 | [C][O][C][=C][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][#Branch1][C][Branch1][Ring1][O][C][=C][Ring1][=N][O][C][C][C][Branch1][C][C][C] |
CHEMBL4293639 | [C][C][C][Branch1][Ring1][C][C][O][C@@H1][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch2][Ring1][C][N][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][C@H1][Ring2][Ring1][Ring2][N][C][Branch1][C][C][=O] |
CHEMBL4293640 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Branch2][N][C][=C][C][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][=C][C][Branch1][C][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4293641 | [C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][C][N][N][Ring1][#Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[Cl] |
CHEMBL4293642 | [C][C][S][C][=C][C][=Ring1][Branch1][C][=C][Branch1][=Branch1][C][C][C][Ring1][Branch1][C][C][=C][Branch1][=Branch1][S][C][=Ring1][Branch1][C][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][N][C][Ring2][#Branch1][=Branch2][=O] |
CHEMBL4293729 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][C][=N][C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][#C][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4293730 | [Cl][C][=C][C][=C][Branch2][Ring2][Ring1][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][=N][N][=C][Ring1][Branch1][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O] |
CHEMBL4293731 | [C][C][C][Branch1][Ring1][C][C][C][N][C][C][=C][N][Branch3][Ring1][C][C][C][C@H1][O][C@@H1][O][C@@H1][C@@H1][Branch2][Ring1][Branch1][C][N][C][=C][Branch1][O][C][N][C][C][Branch1][Ring1][C][C][C][C][N][=N][Ring1][=N][O][C@H1][Branch2][#C][=Branch1][O][C@@H1][C@@H1][Branch2][Ring1][Branch1][C][N][C][=C][Branch1][O][C][N][C][C][Branch1][Ring1][C][C][C][C][N][=N][Ring1][=N][O][C@H1][Branch2][N][=C][O][C@@H1][C@@H1][Branch2][Ring1][Branch1][C][N][C][=C][Branch1][O][C][N][C][C][Branch1][Ring1][C][C][C][C][N][=N][Ring1][=N][O][C@H1][Branch2][#Branch2][=Branch1][O][C@@H1][C@@H1][Branch2][Ring1][Branch1][C][N][C][=C][Branch1][O][C][N][C][C][Branch1][Ring1][C][C][C][C][N][=N][Ring1][=N][O][C@H1][Branch2][#Branch1][=C][O][C@@H1][C@@H1][Branch2][Ring1][Branch1][C][N][C][=C][Branch1][O][C][N][C][C][Branch1][Ring1][C][C][C][C][N][=N][Ring1][=N][O][C@H1][Branch2][Branch1][=Branch1][O][C@@H1][C@@H1][Branch2][Ring1][Branch1][C][N][C][=C][Branch1][O][C][N][C][C][Branch1][Ring1][C][C][C][C][N][=N][Ring1][=N][O][C@H1][Branch1][#C][O][C@H1][Ring2][=Branch2][#Branch1][C@H1][Branch1][C][O][C@H1][Ring2][=Branch2][Branch2][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][O][O][C@H1][Branch1][C][O][C@H1][Ring2][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][=Branch1][=Branch2][O][C@H1][Branch1][C][O][C@H1][Ring2][#Branch1][S][O][C@H1][Branch1][C][O][C@H1][Ring2][=Branch2][#Branch1][O][C@H1][Branch1][C][O][C@H1][Ring2][#Branch2][=C][O][N][=N][Ring2][O][=Branch2] |
CHEMBL4293732 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][N][C][=Branch1][C][=O][/C][=Branch1][Ring1][=N][\O][C][=C][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][C][=C][Ring1][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][O] |
CHEMBL4293733 | [C][S][C][=N][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][=C][C][=N][N][Branch1][=C][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][=N][Ring2][Ring1][#Branch2] |
CHEMBL4293734 | [C][=C][=C][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][N][N][C][=N][C][=C][C][Branch1][P][C][=C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][Ring1][S][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][=Branch2][N][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][C][Ring1][=Branch2] |
CHEMBL4293822 | [O][=S][=Branch1][C][=O][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][C][N][Branch1][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=C] |
CHEMBL4293823 | [C][N][C][=C][C][=C][C][=C][Branch2][Ring2][=Branch1][N][Branch2][Ring1][#Branch2][C][C][Branch1][C][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][N][Ring2][Ring1][#C] |
CHEMBL4293824 | [C][/N+1][Branch1][C][O-1][=C][\C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][Ring1][=N] |
CHEMBL4293825 | [O][=C][C][=C][O][C][=C][C][=Branch2][Ring1][#Branch2][=C][C][Branch1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Ring2][Ring1][Ring1][Ring1][#C][O][C][O][Ring1][P] |
CHEMBL4293910 | [C][C][=C][C@H1][Branch2][Ring1][Branch2][O][/C][=C][/C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][Ring1][=Branch2][O][C][Ring2][Ring1][Ring2][=O] |
CHEMBL4293911 | [O][=C][Branch1][C][O][C][C][=C][C][=C][NH1][C][Branch2][Branch1][Branch2][C][=C][C][=C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=S][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][C][=C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][C][=C][Ring1][#Branch2][NH1][Ring1][=N][C][=C][Ring2][Ring1][Ring1][F][C][Branch1][C][F][=C][Ring2][Ring1][#C][=N][C][Ring2][Ring2][Ring2][=C][Ring2][Ring2][Branch2] |
CHEMBL4293912 | [C][C][=C][C][=C][Branch2][Ring1][P][C][=N][C][C][=Branch1][#Branch1][=N][NH1][C][=Ring1][Branch1][C][N][C][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][C][=C][Ring1][#Branch2][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4293913 | [N][=C][Branch1][C][N][N][C][C][C][C@H1][Branch2][Branch1][=Branch2][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][C][C][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][O] |
CHEMBL4293914 | [C][O][C][=C][C][Branch2][Ring1][Ring2][/C][=N][\N][C][=N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1][O][C] |
CHEMBL4293915 | [C][C][=C][C][=C][O][C][Branch2][Branch1][P][C][=C][C][=C][Branch2][Branch1][Branch1][O][C][C][C][C][C][=C][N][Branch2][Ring2][Branch1][C][C][O][C][C][O][C][C][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N][=C][Ring1][P][N][=N][Ring2][Ring1][#C][C][=C][Ring2][Ring2][#Branch2][=C][C][=Branch1][C][=O][C][Ring2][Ring2][P][=C][Ring2][Branch1][Branch1] |
CHEMBL4293916 | [C][O][C][=Branch1][C][=O][N][C][/C][=Branch1][S][=C][\C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C][=Branch1][C][=O][/C][=Branch1][S][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring2][Ring1][=Branch2] |
CHEMBL4288951 | [C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][=C][Se][C][=C][Ring1][Branch1][C][=C][C][=C][Branch1][N][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C][C] |
CHEMBL4288952 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][#C][N][C][C][N][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][C][Ring1][P][N][=N][Ring2][Ring1][#Branch1] |
CHEMBL4288953 | [C][C][=C][C][=C][Branch2][Ring2][#Branch2][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][=C][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][#C] |
CHEMBL4289034 | [C][C][Branch1][C][C][Branch1][C][C][N][N][=N][C][Branch2][Ring2][C][C@H1][Branch1][O][C][C][C][N][C][=Branch1][C][=N][C][Cl][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][=N][Ring2][Ring1][#Branch2] |
CHEMBL4289035 | [C][C][=C][C][=C][O][C][Branch2][Branch1][O][C][=C][C][=C][Branch2][Ring2][#C][O][C][C][C][C][C][=C][N][Branch2][Ring1][#C][C][C][O][C][=C][C][=C][C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][P][=Ring1][=N][N][=N][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring2][Ring2][=C][C][=Branch1][C][=O][C][Ring2][Ring2][O][=C][Ring2][Ring2][#C] |
CHEMBL4289036 | [C][O][C][=C][C][=C][Branch2][Branch1][S][N][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring2][=C][C][C@H1][O][C@@H1][Branch2][Ring1][=C][N][C][=N][C][=C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][=C][N][=C][Ring1][#C][Ring2][Ring1][C][C@H1][Branch1][C][O][C@@H1][Ring2][Ring1][Branch2][O][C][Branch1][C][C][C][C][=C][Ring2][Ring2][O] |
CHEMBL4289037 | [C][C][N][C][=Branch1][C][=O][N][C][=N][C][=C][N][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CHEMBL4289038 | [O][=C][Branch1][C][O][C][C][C][C][N][Branch2][Branch1][=Branch1][C][/C][=C][/C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Ring2][Ring2][Branch1] |
CHEMBL4289039 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][O][C][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][S][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][Branch1][C][C][C] |
CHEMBL4289040 | [C][O][C][=C][C][Branch1][C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=N][C][=N][N][=C][N][Ring1][Branch1][C][Branch1][C][C][C][=N][Ring1][=C] |
CHEMBL4289041 | [C][O][C][=C][C][=C][Branch2][Ring2][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][C][#N][C][Ring1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][O] |
CHEMBL4289115 | [C][O][C][=C][C][=C][C][=C][C][=C][Branch1][#Branch1][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][Branch2][C][N][C][Branch1][C][N][=S][C][C][Ring1][N] |
CHEMBL4289116 | [C][C][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][N][C][Branch1][C][C][=O] |
CHEMBL4289117 | [C][C][=Branch1][C][=O][O][C@H1][C][=C][C][C@@H1][Branch1][C][O][C][C][C@][Ring1][#Branch1][Branch1][Ring1][C][O][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch2][Ring1][C][C][C][C@@H1][Ring1][=Branch1][C@H1][Branch1][C][C][/C][=C][/C][C][Branch1][C][C][C][C@@H1][Ring2][Ring1][C][Ring2][Ring1][=N] |
CHEMBL4289118 | [C][C][C][C][N][C][=Branch1][C][=O][C][N][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][Ring1][=Branch2] |
CHEMBL4289119 | [O][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch2][Ring2][=Branch1][C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][C][O][C][C][N][C][=C][Branch1][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][=N][C][=C][Ring2][Ring1][=Branch2][O][C][=C][C][=C][C][=C][Ring2][Ring2][O][Ring1][=Branch1] |
CHEMBL4289120 | [C][C@H1][C][O][C][C][N][Ring1][=Branch1][C][=C][C][Branch1][S][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch1][=N][C][Branch1][=C][C][=C][N][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][=N][Ring2][Ring1][=Branch1] |
CHEMBL4289194 | [O][=C][Branch1][C][O][C][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL4289195 | [C][N][C][=Branch1][C][=O][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][=N][C][Branch1][O][C][C][C][Branch1][C][F][Branch1][C][F][F][=C][Branch2][Ring1][Branch2][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=N][C][=C][Ring2][Ring2][Ring1][Ring2][Ring1][=Branch2] |
CHEMBL4289196 | [C][N][C][=N][C][Branch2][Ring1][#Branch1][O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F][=N][C][Branch1][#C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=N][Ring2][Ring1][N] |
CHEMBL4289197 | [C][C][C][C][C][C][C][C][C][C][C][C][=C][Branch1][C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][=C][O][C][Branch1][C][N][=C][Branch1][Ring1][C][#N][C][Ring1][=Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][Ring2][Ring1][=Branch2][=O] |
CHEMBL4289199 | [C][=C][C][=C][Branch1][P][C][C][C][N][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] |
CHEMBL4289200 | [F][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][=C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][C][=Ring2][Ring1][#Branch1] |
CHEMBL4289283 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][Branch1][C][O][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][#C] |
CHEMBL4289284 | [C][N][Branch1][C][C][C][C][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][O][C][N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=O][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4289285 | [C][N][C][C][N][Branch2][Ring1][O][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch2] |
CHEMBL4289286 | [C][C][Branch1][C][C][O][B][Branch1][P][C@H1][C][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][=Branch2][O][O][C][Ring1][S][Branch1][C][C][C] |
CHEMBL4228864 | [C][C][C@H1][C][C][C@H1][C@@H1][C][C][=C][C][C@@H1][Branch1][=N][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][C][C@][Ring1][=C][Branch1][C][C][C@H1][Ring2][Ring1][Ring1][C][C][C@][Ring2][Ring1][#Branch2][Ring2][Ring1][#Branch1][C] |
CHEMBL4228865 | [C][N][Branch2][Ring1][C][C][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][O][Ring1][#Branch2][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl] |
CHEMBL4228866 | [C][C][=C][C][=C][C][N][=C][Branch2][Ring1][Ring1][C][N][C][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=N][Ring1][O][N][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][C][Ring2][Ring1][P][=Ring2][Ring1][=N] |
CHEMBL4228867 | [C][=C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch2][Ring1][P][N][N][=C][Branch1][=C][C][#C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring2][Ring1][Branch1][C][Ring2][Ring1][O] |
CHEMBL4228948 | [O][=C][Branch1][C][O][C][=N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][Branch1][C][O][=C][Ring1][#C][O] |
CHEMBL4228949 | [C][N][Branch2][Ring2][O][C][=Branch1][C][=O][C][=C][N][Branch2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=C][Ring1][N][C][=C][C][=C][N][=C][Ring2][Ring1][=Branch1][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4228950 | [C][C][=Branch1][C][=O][C][Branch2][Branch1][Branch2][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch2][C][S][C][=N][C][=Ring1][Branch1][C][C][=C][Ring1][N][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring2][Ring2][Ring1] |
CHEMBL4228951 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] |
CHEMBL4228952 | [O][=C][Branch2][Ring1][=Branch1][N][/N][=C][/C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][C][C][C][=N][C][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Ring1][#C][C][Ring2][Ring1][Ring1] |
CHEMBL4228953 | [C][O][C][=C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring1][O][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@][Branch1][C][O][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Ring1][Branch1] |
CHEMBL4229035 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch2][Ring1][Ring1][C][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][O][=N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Ring2][Ring1][#Branch1][=O] |
CHEMBL4229036 | [C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2] |
CHEMBL4229037 | [C][C][C][C][C][N][Branch2][Ring1][=C][C][=Branch1][C][=O][C][S][C][C@H1][C][N][Branch1][C][C][C][C][C@@H1][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring2][Ring1][=Branch2] |
CHEMBL4229038 | [C][=C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch2][Ring2][C][N][N][=C][Branch1][#C][C][#C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring2][Ring1][=Branch1][C][Ring2][Ring1][N] |
CHEMBL4229039 | [C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][Branch2][Ring2][Ring1][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring2][Ring1][Ring2][N][C][=Branch1][C][=O][N][Ring2][Ring2][#Branch1] |
CHEMBL4229132 | [C][O][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][Ring2][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][=C][Ring2][Ring1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][Ring1][Branch1] |
CHEMBL4229133 | [C][N][C][Branch1][Ring1][C][O][=C][Branch2][Ring1][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][O][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C@H1][C][C][C][Branch1][C][O][C][C@@H1][Ring1][#Branch1][O][C][Ring2][Ring1][#C][=O] |
CHEMBL4229134 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][N][Ring1][#Branch1][C][Branch1][C][C][C] |
CHEMBL4229135 | [C][C][=C][N][C][Branch1][Branch2][C][C][=N][NH1][C][=Ring1][Branch1][=C][N][=C][Ring1][#Branch2][C][Branch2][Ring1][Ring2][N][C][=C][C][Branch1][#Branch2][C][C][=N][C][=C][C][=N][Ring1][=Branch1][=N][S][Ring1][N][=N][Ring2][Ring1][O] |
CHEMBL4229217 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][S][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][N][C][C][Ring2][Ring1][=Branch2] |
CHEMBL4229218 | [N][#C][C][=C][C][=C][Branch2][Ring2][Branch1][O][C][=C][C][=C][N][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][Branch1][=Branch1][O][C][C][C][N][C][=C][Ring1][O][S][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][=N].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4229219 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#C][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][C][Ring2][Ring1][#Branch2] |
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