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CHEMBL6803 | [C][C][O][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][C][=Ring1][#C][C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][/C][=Branch1][=C][=C][/C][N][O][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1] |
CHEMBL6804 | [C][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][O][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][O] |
CHEMBL6890 | [C][C][C][=N][N][=C][C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][P][Ring1][=C] |
CHEMBL6891 | [C][C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL3310238 | [C][C][=N][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring2][Ring1][Ring2][O] |
CHEMBL3310244 | [C][C][C@H1][Branch1][C][C][N][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1].[Cl] |
CHEMBL1163150 | [C][C][Branch1][C][C][C@H1][Branch2][Branch1][N][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][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][C][N][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O] |
CHEMBL6912 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][O][C][=C][C][=C][NH1][C][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][C][Ring1][S][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][=N] |
CHEMBL6913 | [C][C][Branch1][C][C][N][C@@H1][C][C][C][=C][Branch1][O][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][O][C@H1][Ring1][N][O] |
CHEMBL3310354 | [O][=C][Branch1][C][O][/C][Branch1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][=N][/N][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][=C][S][Ring1][P] |
CHEMBL6849 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][=Branch1][C][=O][O][=C][C][=C][Ring2][Ring1][Branch1][Cl] |
CHEMBL6932 | [C][C][O][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][C][=Ring1][#C][C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][Branch1][C][C][C][C][Ring1][Ring2][C][N][O][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=O][=C][Ring2][Ring1][C] |
CHEMBL6933 | [N][C][=N][C][=N][C][=C][C][=C][Branch1][S][S][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1][Ring1][P] |
CHEMBL6935 | [C][C][Branch1][C][C][Branch1][#C][C][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][N][C][C][Branch1][C][O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
CHEMBL6936 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N] |
CHEMBL3310047 | [C][S][C][N][=C][N][=C][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][N][=Ring1][=C] |
CHEMBL6965 | [C][O][C][=C][C][=C][C][=C][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=Ring1][Branch2][C][Ring1][N][=C][Ring1][S][O][C] |
CHEMBL6967 | [N][C][=N][C][Branch1][C][O][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][C][Ring2][Ring1][Ring1][=N][Ring2][Ring1][Branch2] |
CHEMBL7051 | [C][C][/C][=Branch2][Ring2][=N][=C][\C][=C][C][=C][C][Branch2][Ring1][S][O][C][C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][O][C][=Ring1][#C][C][=C][Ring2][Ring1][Branch2][N][O][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=O] |
CHEMBL30 | [C][N][/C][=Branch1][=C][=N][/C][C][S][C][C][N][=C][NH1][C][=Ring1][Branch1][C][N][C][#N] |
CHEMBL7052 | [O][C][=C][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=N][Ring1][=N] |
CHEMBL3310138 | [N][C][O][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][N][C][=C][C][=N][C][=N][Ring1][=Branch1] |
CHEMBL6893 | [C][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][=C][C][=C][N][=C][Ring1][=Branch1] |
CHEMBL32 | [C][O][C][=C][Branch1][=C][N][C][C@@H1][C][C][C][N][C@@H1][Ring1][=Branch1][C][Ring1][=Branch2][C][Branch1][C][F][=C][C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring2][Ring1][O][=Ring1][=N] |
CHEMBL6630 | [C][N][Branch1][C][C][C][=C][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=C][C][=C][Ring2][Ring1][Branch1][Ring1][P] |
CHEMBL6631 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][S][C][=C][N][=C][N][=C][Branch1][C][N][N][=C][Branch1][C][N][C][Ring1][Branch2][=N][Ring1][N][C][=C][Ring2][Ring1][Ring1] |
CHEMBL3310246 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C@@H1][Branch1][C][C][N][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1].[Cl] |
CHEMBL3310252 | [O][=C][Branch1][C][O][C][C][=C][S][C][Branch1][#Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][O][=N][Ring1][N] |
CHEMBL6914 | [C][/C][=Branch2][Ring2][=N][=C][\C][=C][C][=C][C][Branch2][Ring1][S][O][C][C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][O][C][=Ring1][#C][C][=C][Ring2][Ring1][Branch2][C][N][O][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=O] |
CHEMBL6915 | [C][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][S][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CHEMBL12 | [C][N][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring1] |
CHEMBL6650 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][Ring1][P] |
CHEMBL6651 | [O][=C][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Ring1][#Branch2][O][C][C][O][Ring1][Branch1] |
CHEMBL3310357 | [O][=C][Branch1][C][O][/C][Branch1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][=N][/N][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][=C][S][Ring1][P] |
CHEMBL6937 | [C][O][C][=C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][P] |
CHEMBL6672 | [C][O][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][=N][C][C][=Branch1][C][=O][O] |
CHEMBL6673 | [C][/C][Branch1][=N][C][N][O][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=O][=C][Branch1][C][\C][C][=C][C][=C][C][Branch2][Ring1][S][O][C][C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][O][C][=Ring1][#C][C][=C][Ring2][Ring1][Branch2] |
CHEMBL7053 | [C][C][C@H1][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Branch1][C][O][N][=C][Ring1][O][C][=C][Ring1][#C][N][C@@H1][Ring2][Ring1][Ring1][C] |
CHEMBL7054 | [C][C@][Branch1][C][O][Branch1][Ring1][C][O][C][=C][C][=C][C][=Branch1][=Branch2][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C@@H1][C][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C@@H1][Ring1][O][O][Ring2][Ring1][C] |
CHEMBL7055 | [N][#C][C][=C][C][=C][N][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][=N][C][Ring1][N][=C][Ring1][S] |
CHEMBL7148 | [C][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][N][Ring1][=Branch1][/C][=Branch1][=N][=N][/C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=Ring2][Ring1][C] |
CHEMBL7149 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][C][C][Ring1][P] |
CHEMBL3310140 | [O][=C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][O][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][N][C][=C][C][=N][C][=N][Ring1][=Branch1] |
CHEMBL6632 | [C][#C][C][N][Branch2][Ring1][#Branch1][C][C][=C][C][=C][Branch1][C][O][N][=C][Branch1][C][C][N][=C][Ring1][Branch2][C][=C][Ring1][N][C][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][C][F][=C][Ring1][P] |
CHEMBL6633 | [N][C][=N][C][=C][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=N][Ring1][P] |
CHEMBL1163134 | [C][C@][C][C][C@H1][C@@H1][Branch2][Ring1][O][C][C@H1][Branch1][Ring2][C][C][O][C@H1][C][/C][=Branch1][=Branch1][=N][/O][C][C][N][C][C][C@][Ring2][Ring1][C][Ring1][O][C][C@@H1][Ring2][Ring1][#Branch1][C][C][C][Ring2][Ring1][#Branch2][=O].[Cl] |
CHEMBL6715 | [C][#C][C][N][Branch2][Ring1][#Branch1][C][C][=C][C][=C][Branch1][C][O][N][=C][Branch1][C][C][N][=C][Ring1][Branch2][C][=C][Ring1][N][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Branch1][C][F][=C][Ring1][P] |
CHEMBL6716 | [C][C][Branch1][C][C][C][C@H1][Branch2][=Branch1][=N][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][N][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][C][C][C][N][=C][Branch1][C][N][N][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL6717 | [C][O][C][=C][C][=C][NH1][C][=C][Branch1][#Branch1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][C][N][=C][Ring1][Branch2] |
CHEMBL3310258 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][N][C][C][C][C@@H1][C][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][C@H1][Ring1][=Branch2][Ring1][=N][O][C][O][Ring1][Branch2] |
CHEMBL6652 | [O][=C][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][Ring1][N][O][C][C][O][Ring1][Branch1] |
CHEMBL6653 | [N][C][=N][C][Branch1][C][N][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][C][Ring2][Ring1][Ring2][=N][Ring2][Ring1][=Branch2] |
CHEMBL6654 | [C][C][C][N][C][=C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=Ring1][O][C][=C][Ring1][#C][C][C][Ring2][Ring1][Ring1][C] |
CHEMBL6737 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][#Branch1][C][C@@H1][Branch1][C][C][N][=C][Ring1][N] |
CHEMBL20 | [C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][S][Ring1][=Branch2] |
CHEMBL3310365 | [C][N][C][=Branch1][C][=O][C][=C][C][=Branch1][=C][=C][N][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring1][N][=O][C][=Branch1][C][=O][C][=C][Branch1][Branch1][C][Ring1][=C][=O][C][C][C][C][Ring1][Branch2][C][Ring1][Branch1] |
CHEMBL6762 | [C][C][=C][C][=C][Branch2][Ring2][C][S][C][=C][N][=C][C][S][C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][C][Ring2][Ring1][Branch1][=Ring1][P][C][=C][Ring2][Ring1][N] |
CHEMBL6765 | [C][/C][=Branch1][=C][=C][\C][N][O][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=O][C][=C][C][=C][C][Branch2][Ring1][Branch1][O][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][O][C][=C][Ring2][Ring1][Ring2] |
CHEMBL3310051 | [O][=C][C][=C][C][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][=C][C][=C][Ring1][=C][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring2][Ring1][Branch1][C][C][=C][C][=C][N][=C][Ring1][=Branch1] |
CHEMBL7152 | [C][C][C][C][/C][=Branch1][=C][=C][\C][N][O][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=O][C][=C][C][=C][C][Branch2][Ring2][#Branch1][O][C][C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][O][C][=Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=N] |
CHEMBL7153 | [N][C][=N][C][Branch1][C][S][=N][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] |
CHEMBL7154 | [C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL7245 | [C][C][C][C][/C][=Branch1][=C][=C][\C][N][O][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=O][C][=C][C][=C][C][Branch2][Ring1][S][O][C][C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][O][C][=Ring1][#C][C][=C][Ring2][Ring1][Branch2] |
CHEMBL7246 | [N][#C][C][=C][C][=C][N][=C][Branch1][C][N][N][=C][Branch1][C][N][C][Ring1][Branch2][=C][Ring1][N] |
CHEMBL3310152 | [N][C][N][=C][C][=C][Branch1][Branch1][N][C][C][O][C][=C][Branch1][C][F][C][=C][Ring1][O][N][=C][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][Ring2][Ring1][=Branch2][N][=Ring2][Ring1][N] |
CHEMBL6718 | [C][C][/C][=Branch2][Ring2][Branch2][=C][Branch1][N][\C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][#C][O][C][C][C][C][C][C][C][C][N][Branch1][C][C][C][C][=C][Ring2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL6805 | [C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=N][C][Branch1][C][Cl][=C][Ring1][=C][C][Branch1][C][N][=O] |
CHEMBL6807 | [C][=C][Branch1][C][Br][C][O][C][=N][O][C][=C][Ring1][Branch1][C][N][C][C][Ring1][=Branch1].[Cl] |
CHEMBL6808 | [C][C][C][C][N][=C][Branch1][C][N][C][Ring1][#Branch1] |
CHEMBL6809 | [O][=C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL6740 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1] |
CHEMBL6741 | [C][C][Branch1][C][C][N][=C][Branch1][C][N][N][=C][Branch1][C][N][N][Ring1][=Branch2][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
CHEMBL6829 | [C][#C][C][N][Branch2][Ring1][=Branch1][C][C][=C][C][=C][N][=C][Branch1][C][C][N][=C][Branch1][C][O][C][Ring1][Branch2][=C][Ring1][N][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S] |
CHEMBL6830 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][S][C][=C][N][=C][C][S][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][C][Ring1][N][=Ring1][Branch2][C][Branch1][C][C][=C][Ring2][Ring1][Ring2] |
CHEMBL6831 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][#Branch2][C][=N][C][Branch1][C][N][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][C][Ring1][#Branch2][=N][Ring1][#C][C][Ring2][Ring1][Branch1] |
CHEMBL3309962 | [O][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][=C][C][=Branch1][C][=O][N][Branch2][Ring1][N][C][=C][C][=C][Branch1][#C][O][C][=C][C][=N][C][C][=C][S][C][Ring1][=Branch2][=Ring1][Branch1][C][Branch1][C][F][=C][Ring1][P][C][=Ring2][Ring1][Branch2] |
CHEMBL6850 | [C][#C][C][N][Branch2][Ring1][=Branch1][C][C][=C][C][=C][N][=C][Branch1][C][C][N][=C][Branch1][C][O][C][Ring1][Branch2][=C][Ring1][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] |
CHEMBL6851 | [C][=C][C@@H1][Branch1][S][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C@][Branch1][C][C][C@@H1][Ring2][Ring1][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][C][C][=Branch1][C][=O][C][Branch1][C][C][=C][Branch1][#Branch2][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring1][C][O][C][Ring1][N][Branch1][C][C][C] |
CHEMBL6852 | [N][C][=C][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Ring1][#Branch2] |
CHEMBL6853 | [N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][F] |
CHEMBL6854 | [C][N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F] |
CHEMBL3310066 | [C][O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] |
CHEMBL7247 | [N][C][=N][C][Branch1][C][O][=C][N][=C][N][Branch2][Ring1][Branch2][C][C][C][C][C][C][C][P][=Branch1][C][=O][Branch1][C][O][C][P][=Branch1][C][=O][Branch1][C][O][O][C][Ring2][Ring1][Ring2][=N][Ring2][Ring1][=Branch2] |
CHEMBL7248 | [C][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][N][Ring1][=Branch1][/C][=Branch1][=N][=N][/C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][=Ring2][Ring1][C] |
CHEMBL7249 | [C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
CHEMBL6968 | [C][C][C][C][=C][C][=Branch1][C][=O][O][C][=C][C][=Branch2][Ring1][=Branch1][=C][C][=Branch1][=Branch1][=C][Ring1][O][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=Branch2][O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][C@@H1][Branch1][C][C][C][Ring2][Ring1][Ring1][=O] |
CHEMBL6969 | [O][=C][Branch1][O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][NH1][C][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][C][Ring1][S][=C][Ring2][Ring1][Ring2] |
CHEMBL3310158 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=C][C][C][=N][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Ring1][#Branch2][N][Ring1][=N][C][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL6894 | [C][C][=C][Branch2][Ring1][C][N][C][C][C@@H1][Branch1][=Branch2][C][Branch1][C][N][C][C][Ring1][Ring2][C][Ring1][=Branch2][C][Branch1][C][F][=C][Branch1][C][N][C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][#Branch1][C@@H1][C][C@@H1][Ring1][Ring1][F][C][Ring2][Ring1][=N][=Ring1][=C] |
CHEMBL6895 | [C][=C][C@H1][Branch1][Branch1][C][C][C][C][C@H1][Ring1][#Branch1][C][C][Branch1][C][N][=O] |
CHEMBL13 | [C][O][C][C][C][=C][C][=C][Branch1][=C][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][C][=C][Ring1][#C] |
CHEMBL6896 | [C][C][C][N][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][Ring1][P] |
CHEMBL6897 | [N][C][=N][C][Branch1][C][O][=C][C][Branch1][S][S][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][C][=C][C][Ring1][P][=N][Ring2][Ring1][=Branch1] |
CHEMBL6832 | [F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][N][=C][N][=C][Ring1][O][Ring1][=C] |
CHEMBL6833 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C][N][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL6916 | [C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=C][N][=C][C][=C][Branch1][C][Cl][C][=C][C][Ring1][#Branch1][=N][Ring1][O][C][C][Ring1][P] |
CHEMBL6918 | [C][=C][C][O][C][=C][C][=C][Branch2][Ring1][=N][C][=C][C][=C][Branch2][Ring1][C][N][C][C][Branch1][Branch2][C][N][C][Branch1][C][C][=O][O][C][Ring1][#Branch2][=O][C][=C][Ring1][P][C][=C][C][Ring2][Ring1][Branch2][=O] |
CHEMBL6919 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2] |
CHEMBL6920 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C] |
CHEMBL431 | [C][C][O][C][=Branch1][C][=O][C@H1][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch1][#Branch2][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][O][S][C][C][S][Ring1][#Branch2] |
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