chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4278759 | [C][C][N][Branch1][Ring1][C][C][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][N][=C][Ring1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] |
CHEMBL4278760 | [O][=C][Branch1][C][O][C][=C][C][=N][C][Branch2][Ring2][C][N][N][=C][C][=C][Ring1][Branch1][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][=N] |
CHEMBL4278761 | [C][C][=C][C][=C][C][N][=C][Branch1][S][N][/N][=C][\C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][S][C][Ring2][Ring1][Ring2][=Ring1][S] |
CHEMBL4278762 | [C][C][=C][C][Branch2][Ring2][#Branch1][N][C][=N][C][Branch2][Ring1][O][C][C][Branch1][C][C][N][C][C][C][Branch1][C][C][Branch1][C][C][N][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][=N][S][Ring2][Ring1][Ring1][=N][O][Ring2][Ring1][=Branch2] |
CHEMBL4278842 | [C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][=C][N][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][Ring2][Ring1][=Branch1] |
CHEMBL4278843 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C@H1][C][C][N][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Ring1][P] |
CHEMBL4278844 | [O][C][=C][C][=C][C][Branch2][Ring2][Ring1][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][=Branch2] |
CHEMBL4278845 | [C][C@H1][Branch2][Ring2][#Branch1][N][C][=N][C][Branch1][=C][N][C@@H1][Branch1][C][C][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=N][Ring1][#Branch1][=N][Ring2][Ring1][Ring2][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4278922 | [O][=C][Branch2][Ring2][Ring2][N][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=N][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O] |
CHEMBL4278923 | [C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=N][N][=C][C][Branch1][C][C][=C][Ring1][#Branch2][O][C][C][O][C][C][O][C][=C][Branch1][C][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][#Branch2][C].[Cl].[Cl] |
CHEMBL4278924 | [C][O][C][=C][C][=C][Branch2][Branch1][Ring2][C][Branch2][Ring1][Ring1][/C][=C][/C][N][C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][=Branch2][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring2][Ring2] |
CHEMBL4278925 | [C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch2][Ring2][O][C][=Branch1][C][=O][O][C][C][O][C][C][O][C][C][P+1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring2][O][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][Cl][Cl][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#C][C][C][C@][Ring2][Ring1][Ring1][Ring2][Ring1][Branch2][C][C@@H1][Ring2][Branch1][=C][Ring2][Branch1][O].[Br-1] |
CHEMBL4278926 | [C][C][C][C][C][C][C][C][O][C][O][C][C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=N][N][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C][Ring1][=Branch2][O][Ring2][Ring1][C] |
CHEMBL4278927 | [C][N][Branch1][C][C][C][C][N][C][=N][C][Branch1][S][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=N][Ring1][=Branch2][=C][Ring1][=C] |
CHEMBL4279007 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=C][Ring1][=Branch2][Cl][C][=C][C][=C][C][=C][Ring2][Ring1][Branch2][Ring1][=Branch1] |
CHEMBL4279008 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][=C][S][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][N][Ring1][N][N][=Ring1][#C][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4279009 | [C][C][=Branch1][C][=O][O][C@H1][C][C][C@@][Branch1][C][C][C][=Branch2][Ring1][Branch1][=C][C][C@@H1][C@H1][C][C][C][C@@][Ring1][Branch1][Branch1][C][C][C][C][C@H1][Ring1][#Branch2][Ring1][#C][C][Ring2][Ring1][Ring1] |
CHEMBL4279010 | [C][#C][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=C][Branch1][C][N][S][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring1][P] |
CHEMBL4279097 | [C][O][C][=C][C][=C][Branch2][Ring1][P][/C][=N][/N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][O][C][=C][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Ring1][S][C][=C][Ring2][Ring1][N] |
CHEMBL4279098 | [C][C@H1][Branch2][Ring2][=N][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][=C][Ring1][#Branch2][Cl][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F] |
CHEMBL4279099 | [F][C][=C][C][=C][C][Branch2][Ring2][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][C][N][Branch2][Ring1][Branch1][C][C][C][C][C][=C][NH1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][P] |
CHEMBL4279100 | [C][/N][=C][Branch2][#Branch1][Branch2][\N][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@H1][Branch1][Ring1][C][O][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][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][N][Branch1][C][C][C] |
CHEMBL4279101 | [O][=C][Branch1][=C][N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] |
CHEMBL4279181 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=Branch2][O][C][C][=C][Branch1][C][C][C][C][Branch1][Ring1][O][C][=C][Ring1][=C][=C][O][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][O] |
CHEMBL4279182 | [N][#C][C][=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][C][=N][Ring2][Ring1][#C] |
CHEMBL4279183 | [C][C][C][O][C][=C][C][=C][Branch2][Ring2][C][C][Branch1][S][C][O][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][=Ring1][Branch2][O][C][O][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][=Ring1][Branch2][O][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4279267 | [C][C][=C][C][Branch1][#C][O][C][=N][C][=C][C][O][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][=C][C][=C][Ring1][S][C][=C][Branch1][C][C][C][=C][C][=N][C][=C][N][Ring1][#Branch2][Ring1][Branch1] |
CHEMBL4279268 | [C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][#C][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][=Branch2][O][C][C][Branch1][C][O][C][O][C][Branch1][C][C][=C][Ring1][=N][=C][N][Ring2][Ring1][#Branch1][C][C] |
CHEMBL4279269 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][#C][C][=C][C][=N][C][=N][C][Branch2][Ring1][N][N][C][=C][C][=C][Branch1][=C][O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Branch1][C][Cl][=C][Ring1][S][=C][Ring2][Ring1][#Branch1][S][Ring2][Ring1][#Branch2] |
CHEMBL4279270 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][=C][C][=C][Branch2][Ring2][Branch2][O][C][C][=C][N][Branch2][Ring1][O][C][C][N][C][=Branch1][C][=O][/C][=Branch1][Ring2][=N][/O][C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Ring1][=C][N][=N][Ring2][Ring1][Branch1][C][=C][Ring2][Ring2][Branch2][Ring2][Ring1][=N] |
CHEMBL4279271 | [C][C][N][C][C][N][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][O][C@@H1][C][C@@H1][C][C][C@@][Ring1][=Branch1][Branch1][C][C][C][Ring1][=Branch1][Branch1][C][C][C][C][C][Ring2][Ring1][Branch1] |
CHEMBL4279272 | [C][C][C][C][N][C][=N][C][Branch1][Ring1][O][C][=N][C][Branch2][Ring1][Ring2][N+1][C][C][N+1][Branch1][Ring2][C][C][Cl][Branch1][Branch1][C][C][Ring1][=Branch2][C][C][Ring1][O][=N][Ring2][Ring1][Ring1] |
CHEMBL4279273 | [C][C][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][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=N][Ring2][Ring1][Branch1] |
CHEMBL4279356 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][C][#N][=C][C][=N][Ring1][Branch2][C][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][=C] |
CHEMBL4279357 | [O][=N+1][Branch1][C][O-1][C][=C][C][Branch2][Ring1][Ring2][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring1][N][=C][C][=C][Ring2][Ring1][Ring1][C][O] |
CHEMBL4279358 | [C][O][C][=C][C][Branch2][Branch1][S][N][C][=Branch1][C][=O][C@][C][C][C@@H1][Branch1][C][C][C@H1][Branch1][C][C][C@H1][Ring1][Branch2][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@@][Ring1][=C][Branch1][C][C][C@][Ring2][Ring1][Ring1][Branch1][C][C][C][C][Ring2][Ring1][=C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][=Branch2][O][C] |
CHEMBL4279359 | [C][=C][C][C][C][C@@][Branch1][C][C][Branch2][Branch1][=N][C][=Branch1][C][=O][O][C][C][C][O][C][=Branch1][C][=O][C@@H1][C][Branch1][Ring1][C][=O][=C][C][=C][C][=C][Branch2][Ring1][N][C][=C][Ring1][=Branch1][C@H1][Ring1][N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][O][C][O][Ring2][Ring1][Ring2][C][C][C][C@][Ring2][Ring2][O][Branch1][C][C][C@H1][Ring2][Ring2][S][C][C][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Ring1][=C][=C][Ring2][Ring1][C] |
CHEMBL4279360 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][N][Branch2][Ring1][#C][C][C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][P][=O][C][=Ring2][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4279361 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][C][=O][C][Branch2][Ring1][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][#C][O][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=C][Ring2][Ring1][C][=C][O][C][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][#C] |
CHEMBL4279362 | [C][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=S][N][/N][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] |
CHEMBL4279446 | [C][C][C][C][N][C][C][C][Branch2][Ring1][Branch2][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=N][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][C][Ring2][Ring1][Branch1] |
CHEMBL4279447 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][/C][=Branch1][#C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][S][C][Ring1][S][=S][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4279448 | [C][C][=N][C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#C][O] |
CHEMBL4279449 | [N][#C][C][=N][C][=C][C][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][=C][Branch1][C][N][O][C][Ring2][Ring1][Ring1][=Ring1][#C] |
CHEMBL4279533 | [Cl][C][=C][C][=C][Branch2][Ring1][S][C][N][=C][C][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][N][Ring1][O][C][=Ring1][=C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][O] |
CHEMBL4279534 | [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][C][C][Branch1][N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][C][Ring1][#C][C][=C][Ring2][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
CHEMBL4279535 | [C][C][C][Branch1][C][C][N][N][=C][N][Branch2][=Branch1][Branch2][C][=C][C][=C][Branch2][Branch1][N][N][C][C][N][Branch2][Ring2][S][C][=C][C][=C][Branch2][Ring2][Ring2][O][C][C@@H1][C][O][C@@][Branch1][#Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][O][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][N][C][C][Ring2][Ring2][C][C][=C][Ring2][Ring2][Branch2][C][Ring2][Ring2][=N][=O] |
CHEMBL4279536 | [N][C][O][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=C][C][=C][Ring1][N][C][=Ring1][#C][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL4279537 | [O][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][S][C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][=N][N][Ring2][Ring1][=Branch1][Ring1][=C] |
CHEMBL4279619 | [N][C][=C][C][=C][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][=C] |
CHEMBL4279620 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][O][N][C][=C][C][Branch1][S][N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][=N][C][=N][Ring1][P][=C][Ring2][Ring1][#Branch2] |
CHEMBL4279621 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][Branch2][Ring2][O][O][C][=C][C][=N][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][C][C@H1][Branch1][C][C][N][C@H1][Branch1][C][C][C][Ring1][Branch2][C][=C][Ring1][=C][=C][Ring2][Ring1][#Branch1][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring2][Ring2][Ring2][Ring1][S] |
CHEMBL4279622 | [C][C][=C][C][Branch2][Ring2][N][C][=N][C][Branch1][S][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][=N][C][Branch1][S][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][=N][Ring2][Ring1][Branch2][=N][O][Ring2][Ring1][=N] |
CHEMBL4279623 | [C][O][C][=Branch1][C][=O][C@H1][O][C@@H1][C][C@H1][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C@H1][Branch1][C][O][C@H1][Ring1][S][O][C@@][Ring2][Ring1][Ring2][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring1][#Branch2][O] |
CHEMBL4279624 | [O][=P][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Branch2][C][=C][NH1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][=N][Ring1][#Branch2][C][=C][NH1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][=N][Ring1][#Branch2] |
CHEMBL4279625 | [C][C][Branch1][C][C][=C][C][C][C@][Branch1][C][C][C@@H1][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][C@][Branch1][C][C][C][=Branch1][C][=O][C][=C][Branch1][P][O][C@@H1][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][O][C@H1][Ring1][=Branch2][O][C@@][Ring2][Ring1][Branch2][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch2][=O] |
CHEMBL4279626 | [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
CHEMBL4279714 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][=N][C][Branch2][Ring1][C][C][=C][C][Branch1][Branch2][C][=C][NH1][N][=N][Ring1][Branch1][=C][C][=N][Ring1][O][=C][Ring1][S] |
CHEMBL4279715 | [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring2][C][O][C][C][C][C][Branch2][Ring1][Branch1][O][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch2][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
CHEMBL4279716 | [C][C][C][C][C][=Branch1][C][=O][N][C][C][C][N][C][C@H1][Branch1][C][C][C][C@@][Branch1][C][C][Branch1][C][O][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@@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][=Branch1][C][=O][O][C@H1][Branch1][Ring1][C][C][C@@][Branch1][C][C][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Branch1][C][C] |
CHEMBL4279717 | [C][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=C][Branch2][Ring1][C][C][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4279718 | [C][C][S][C][=N][N][=C][Branch2][Ring1][=Branch2][C][O][C][=C][C][=C][N][=C][Branch1][Branch2][N][C][=Branch1][C][=O][O][C][S][C][Ring1][#Branch2][=C][Ring1][=C][O][Ring2][Ring1][Branch1] |
CHEMBL4279719 | [C][C][Branch1][C][C][=C][C][C@@H1][Branch2][Ring1][N][O][C][=Branch1][C][=O][C][C][C][C][C@@H1][C][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][N][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=N][=O] |
CHEMBL4279720 | [C][C@][Branch1][Ring2][N][C][#N][C][C][C][=C][C][=C][Branch1][=C][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Ring1][#C][Ring2][Ring1][Branch1] |
CHEMBL4279721 | [C][C][Branch1][C][C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch2][N][S][C][C][C][N][C][=C][Branch2][N][C][C][O][C][C][=C][N][Branch2][O][Ring2][C][C][C][C@@H1][N][C][=Branch1][C][=O][C][=C][C][=C][C][C][C][C][Ring1][Branch1][=C][C][=C][Branch1][P][S][C@][Ring1][Branch1][Branch1][C][C][C@@][Ring1][=N][Branch1][C][C][S][Ring1][P][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][Ring2][#Branch1][Ring2][=O][N][=N][Ring2][#Branch1][=N][N][=N][Ring2][Branch2][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][C][C][C][Ring1][Branch1][=C][C][=C][Branch1][P][S][C@][Ring1][Branch1][Branch1][C][C][C@@][Ring1][=N][Branch1][C][C][S][Ring1][P][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][Ring2][=N][=Branch2][=O] |
CHEMBL4279815 | [C][O][C][=C][C][=C][Branch2][Ring1][#C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][O][C][C][C][C][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][N][O][C] |
CHEMBL4279816 | [C][C][C][C][C][C][C][Branch1][C][N][Branch1][Ring2][C][Ring1][#Branch1][C][C][Branch1][#Branch1][O][N+1][=Branch1][C][=O][O-1][Branch1][Ring2][C][Ring1][N][C][Ring1][#C] |
CHEMBL4279817 | [C][C@H1][Branch2][Branch1][=Branch2][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][Branch2][Ring2][Branch1][C][N][C][=N][C][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][N][Branch1][C][C][N][=C][Ring1][#C][C][Ring2][Ring1][Ring1][=O][C][C][Ring2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4279818 | [C][N][Branch1][C][C][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring2][Ring1][=Branch1][Ring1][N] |
CHEMBL4279819 | [C][N][Branch1][=C][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C@H1][C][N][Branch1][Branch2][C][=Branch1][C][=O][C][C][#N][C][C][Ring1][#Branch2][C][C][Ring1][Ring1] |
CHEMBL4279906 | [C][O][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][C][=N][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=Ring1][N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1][O][C] |
CHEMBL4279907 | [O][=C][Branch1][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C@@H1][C][C][C][=C][C][=C][Branch1][#C][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][C][C][Ring1][=Branch1][C][=C][Ring1][=C][Ring1][P] |
CHEMBL4279908 | [C][O][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Ring1][N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1][O][C] |
CHEMBL4279909 | [C][C][C][Branch1][C][C][C][C][C][C][C][C][C][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL4279910 | [C][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][NH1][C][Branch1][C][C][=C][C][Ring1][=Branch1][=O][C][=C][Ring1][#C] |
CHEMBL4279911 | [C][C][Branch1][C][C][C][C][C][C][N][C][=Branch1][C][=S][N][Branch2][Ring1][#Branch2][C][C][C][C][C@H1][C][N][C][Branch1][=N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][#C][C][C@H1][Ring2][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4279984 | [C][O][C][=C][C][=C][Branch2][Ring1][S][C][=C][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][O][C] |
CHEMBL4279985 | [C][C][Branch1][C][C][C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][C][C][C][Ring1][Branch1][=C][C][=C][Branch1][P][S][C@][Ring1][Branch1][Branch1][C][C][C@@][Ring1][=N][Branch1][C][C][S][Ring1][P][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][C][N][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][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][=Branch1][C][C][C][C][N][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][C][N][N][C][Ring2][=Branch2][#Branch1][=O] |
CHEMBL4279986 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][S][C][=C][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][=N][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4279987 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][N][Branch1][P][C][C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][C][C][Ring1][S][C][Branch1][C][Cl][=C][Ring2][Ring1][=C][Cl] |
CHEMBL4280067 | [C][N][N][=N][C][Branch1][C][O][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C] |
CHEMBL4280068 | [C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=N][C][=C][Branch2][Ring1][=Branch1][C][Branch1][S][C][Branch1][C][C][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][=N][Ring1][=N][O][C][C@@H1][C][O][C][C@@H1][Branch1][C][C][N][Ring2][Ring1][Ring2][Ring1][#Branch1] |
CHEMBL4280069 | [C][C][C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring2][O][N][=C][N][Ring1][Branch1][C][C][C][N][Ring1][=Branch1][C][C][C][=C][C][=C][Branch2][Ring1][C][O][C][C][=Branch1][C][=O][N][C][C][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1][N][Branch1][Ring2][C][C][C][C][Ring2][Ring2][=Branch1][=O] |
CHEMBL4280070 | [O][=C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][N][C][=C][C][=C][O][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][Ring1][#Branch2][=C][Ring1][=C] |
CHEMBL4280071 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Branch1][C][C@][Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4280072 | [O][=P][Branch1][C][O][Branch1][C][O][C][Branch1][S][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2] |
CHEMBL4280147 | [C][C][=N][C][Branch1][S][N][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring2][Ring1][Ring1][O] |
CHEMBL4280148 | [C][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=C][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][S][Ring2][Ring1][Branch2] |
CHEMBL4280149 | [C][=C][C][C@@][Branch1][C][C][C@@H1][Branch2][Branch1][S][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C@@H1][C][C@@][Branch1][C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C@][Ring2][Ring1][Branch1][Branch1][C][C][C][C][C@][Ring2][Ring1][#Branch2][Ring2][Ring1][S][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring2][N][=O] |
CHEMBL4280150 | [O][=C][Branch1][=N][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4280151 | [C][C][Branch1][C][C][O][C][=C][C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][S][N][C][Ring2][Ring1][Branch1][=O] |
CHEMBL4280152 | [C][O][C][=C][C][=C][C][=Branch2][Branch1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=C][Ring1][S][O][C@@H1][O][C@H1][Branch1][=N][C][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][S][O][C][=Branch1][C][=O][O][C][Ring2][Ring2][Ring2] |
CHEMBL4280153 | [C][C][C][C][N][C][=C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][P] |
CHEMBL4280238 | [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][Branch1][=C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Ring1][=N] |
CHEMBL4280239 | [C][C][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][N][Ring2][Ring1][Branch1][C][C][Branch1][C][C][C] |
CHEMBL4280240 | [O][=C][Branch2][Ring1][=Branch2][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] |
CHEMBL4280241 | [F][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][C][C][N][Branch1][#Branch2][C][C][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][=N][=N][O][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4280242 | [C][O][C][=C][C][Branch1][=N][/C][=C][/S][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][=C][C][=C][Ring1][=C][O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
CHEMBL4280330 | [O][=N+1][Branch1][C][O-1][C][=C][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][=C][C][Branch1][C][Cl][=C][N][Ring2][Ring1][N][Ring1][#C] |
CHEMBL4280331 | [C][C][=C][C][=C][O][C][Branch2][#Branch1][P][C][=C][C][=C][Branch2][#Branch1][Branch1][O][C][C][O][C][C][O][C][C][N][C][=C][Branch2][Branch1][P][C][=C][C][=C][C][Branch2][Branch1][Branch1][C][=C][N][Branch2][Ring2][#Branch2][C][C][O][C][C][O][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][Ring1][N][C][=C][Ring2][Ring1][C][N][=N][Ring2][Ring1][S][=C][Ring2][Ring2][=Branch1][N][=N][Ring2][Ring2][O][C][=C][Ring2][Branch1][#Branch2][=C][C][=Branch1][C][=O][C][Ring2][Branch1][P][=C][Ring2][=Branch1][Branch1] |
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