chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL14053 | [O][=C][Branch1][C][O][C][Branch1][C][Cl][Branch1][C][Cl][Cl] |
CHEMBL14054 | [C][/C][=Branch2][Ring2][=C][=C][/C][C][=C][Branch1][C][O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][Branch2][N][Ring1][Branch1][C][Ring1][P][=O][C][=Branch1][C][=O][N][Branch1][C][C][C][N][Ring1][O][C][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL543 | [C][N][C][=C][N][=C][Ring1][Branch1] |
CHEMBL14055 | [C][S][C][C][C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C... |
CHEMBL13981 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][S][C][=Branch1][C][=S][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][P] |
CHEMBL13982 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][C][=Branch1][C][=S][N][C][C][O][C][C][Ring1][=Branch1] |
CHEMBL13983 | [C][C][NH1][C][Branch2][Ring1][Branch1][/C][=C][\C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][O][=C][Branch1][C][C][C][=Ring2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1] |
CHEMBL14076 | [C][O][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][C][Ring2][Ring1][O] |
CHEMBL14077 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#C][O][C][C][C][N][C][C][C][Branch1][P][C][=N][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][Ring2][Ring1][=N] |
CHEMBL13903 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][=C][C][C][N][C][=Branch1][C][=O][NH1][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Ring1][O][C][Ring1][S][=O][C][C][Ring2][Ring1][=Branch2] |
CHEMBL13904 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][C][C][Ring2][Ring1][Branch1] |
CHEMBL13905 | [C][#C][C][N][Branch2][Ring1][=Branch1][C][C][=C][C][=C][N][=C][Branch1][C][N][N][=C][Branch1][C][O][C][Ring1][Branch2][=C][Ring1][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2] |
CHEMBL13932 | [N][C][=N][C][Branch1][C][O][=C][N][=C][N][Branch2][Ring1][Branch1][C@@H1][C][=C][C@H1][Branch1][O][O][C][P][=Branch1][C][=O][Branch1][C][O][O][O][C][Ring1][N][C][Ring1][P][=N][Ring2][Ring1][=Branch1] |
CHEMBL13933 | [N][C@@H1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring1][O][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][P][C][Ring2][Ring1][=N][=O] |
CHEMBL13934 | [C][C][Branch1][C][C][N][C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2].[Cl] |
CHEMBL13935 | [C][C][C@@][Branch1][C][O][C][=Branch1][C][=O][O][C][C][=C][Ring1][Branch2][C][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][=C][Ring1][#Branch1][N][=C][C][=N][C][Branch1][C][Br][=C][C][Ring1][#Branch1][=C][Ring1][O][C] |
CHEMBL13936 | [C][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1].[Cl] |
CHEMBL14026 | [O][=C][Branch1][C][O][C][C][C][=C][C][=C][Branch2][Ring2][#Branch2][O][C][=N][C][=C][C][Branch2][Ring1][=N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][N][Ring1][N][C][C][C][N][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][#C] |
CHEMBL14056 | [C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] |
CHEMBL14057 | [C][C@@H1][Branch1][C][O][C@H1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch2][Ring1][=Branch2][S][C@@H1][C][N][C@H1][Branch1][#C][C][O][C][=C][C][=C][Branch1][Ring1][C][N][C][=C][Ring1][Branch2][C][Ring1][#C][C@H1][Branch1][C][C][C@H1][Ring2][Ring1][N][Ring2][Ring1][=Branch2] |
CHEMBL14058 | [C][C][C][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][O][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][C][C@][Ring1][=Branch1][Branch1][C][O][C][=Branch1][C][=O][C][O] |
CHEMBL14148 | [C][O][C][=C][C][C][=C][NH1][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][O][C][C][C][N][C][C][C][Branch1][P][C][=N][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S] |
CHEMBL14149 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] |
CHEMBL14079 | [C][O][C][Branch1][C][C][=O] |
CHEMBL14080 | [C][O][C][=C][C][=C][C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=O][=C][Ring2][Ring1][O] |
CHEMBL14170 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][#Branch2][O][C][=N][C][=C][C][Branch2][Ring1][=N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][N][Ring1][N][C][C][C][N][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2][=C][Ring2][Ring1][#C] |
CHEMBL13907 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Branch1][Ring2][=C][Ring1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][Branch2] |
CHEMBL13999 | [C][C][C][C][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1].[Cl] |
CHEMBL14000 | [O][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][Branch1][=N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2][C][Ring2][Ring1][#Branch1][C][=C][C][=C][O][Ring1][Branch1] |
CHEMBL14001 | [C][O][C][=C][C][Branch1][=C][C][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][N][=C][C][Branch1][N][O][C][C][C][C][C][C][=Branch1][C][=O][O][=C][Ring2][Ring1][Branch2][O][C] |
CHEMBL14002 | [C][C][O][C][=Branch1][C][=O][C][C][C][O][C][=C][C][Branch1][=C][C][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][N][=C][C][Branch1][Ring1][O][C][=C][Ring1][P][O][C] |
CHEMBL14003 | [C][C][Branch1][C][C][N][C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2].[Cl] |
CHEMBL14027 | [C][N][C][N][Branch1][C][C][C][N][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=C][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch1][C][=Ring2][Ring1][=Branch2][C][Ring2][Ring1][=C][=O] |
CHEMBL14028 | [C][N][C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C] |
CHEMBL14029 | [C][C][=C][C][=C][Branch1][P][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][Branch1][/C][=C][/C][O][=C][Ring2][Ring1][Ring2] |
CHEMBL14031 | [C][C][=N][C][Branch1][C][O][=N][C][Branch1][C][O][=C][Ring1][Branch2][/C][=C][/C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch1][=O] |
CHEMBL14122 | [C][C][N][C][C][C][=C][Ring1][=Branch1][NH1][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1] |
CHEMBL14150 | [C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O] |
CHEMBL14151 | [C][C][C][N][=C][N][Branch1][=N][C][=Branch1][C][=O][C][=Ring1][#Branch1][C][Branch1][C][N][=O][C][Branch1][C][C][C][C][C][Ring1][=N][=N][N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL14152 | [C][C][O][C][Branch1][C][C][=O] |
CHEMBL14153 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@][Branch1][C][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][C][C][C][C][C][Branch1][Ring2][C]... |
CHEMBL14237 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][=C][C][=N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][N][Ring2][Ring1][C][Ring1][#C][C][=C][Ring2][Ring1][Branch2] |
CHEMBL14238 | [C][C][=Branch1][C][=O][N][C][=Branch1][C][=S][N][C][C@@H1][C][C@@H1][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][NH1][C][=C][Branch1][=Branch1][C][Ring1][=N][=Ring1][Branch1][C][C@H1][Ring1][S][N][Branch1][C][C][C][Ring2][Ring1][Branch1] |
CHEMBL4543173 | [C][N][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][=Branch1][C][Branch1][C][N][=O][=N][Ring2][Ring1][Ring1] |
CHEMBL4543174 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][C][=C][C][=N][N][=C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Ring1][P][C][=C][N][Ring2][Ring1][Branch1][N][=Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C] |
CHEMBL4543175 | [O][=C][Branch2][Ring2][#C][C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=N][C][S][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][N][Ring1][S][C][=Ring2][Ring1][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O] |
CHEMBL14172 | [C][N][Branch1][C][C][/C][=C][\C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][Branch2][N][Ring1][Branch1][C][Ring1][P][O][C][=Branch1][C][=O][N][Branch1][C][C][C][N][Ring1][O][C] |
CHEMBL14173 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CHEMBL14174 | [C][/C][=Branch1][#Branch2][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][C][N][Ring1][Branch1] |
CHEMBL14175 | [N][C][=N][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][O][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] |
CHEMBL14261 | [C][O][C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][Branch2][C][=Ring2][Ring1][=N][Cl] |
CHEMBL14262 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][S][C][=C][Branch1][C][O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N][=O][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL14004 | [C][N][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl].[Cl] |
CHEMBL14097 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][C][C][N][Ring1][Branch1] |
CHEMBL14099 | [C][C][N][Branch1][Ring1][C][C][C][=N][C][Branch1][P][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O] |
CHEMBL14100 | [C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][N][C][C][C][Branch1][P][C][=N][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S] |
CHEMBL14102 | [N][#C][C][C][O][C][=Branch1][C][=O][C][C][C][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring2][Ring1][O][C][Ring2][Ring1][=C][C][=C][C][=C][O][Ring1][Branch1] |
CHEMBL14124 | [C][C][C][C][N][Branch1][C][C][C][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][NH1][C][=N][N][=C][C][=Ring1][P][Ring1][Branch1] |
CHEMBL14125 | [O][C][=C][C][=C][C][Branch2][Ring2][#Branch2][O][C][=N][C][=C][C][Branch2][Ring1][=N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][N][Ring1][N][C][C][C][N][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2][=C][Ring2][Ring1][#C] |
CHEMBL14126 | [O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
CHEMBL14127 | [Cl][C][=C][C][Branch1][C][Cl][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][Cl] |
CHEMBL14217 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][Ring2][C][NH1][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=Ring1][=N][Ring1][=Branch2][=C][Ring2][Ring1][Ring2] |
CHEMBL3309648 | [C][O][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring2][Ring1][C][C][=C][Branch1][#Branch1][C][O][C][Ring1][Branch1][=O][N][C][=C][Ring1][#Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][=C][Ring2][Ring1][=N] |
CHEMBL14239 | [C][C][=Branch1][C][=O][N][C][=Branch1][C][=S][N][C][C@@H1][C][C@@H1][C][=C][C][=C][C][NH1][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C@H1][Ring1][N][N][Branch1][C][C][C][Ring1][P] |
CHEMBL4543225 | [O][=C][Branch1][#C][C][N][C][C][N][C][=C][N][=C][Ring1][Branch1][C][Ring1][=Branch2][N][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1] |
CHEMBL4543226 | [C][C][=N][C][=C][Branch2][Ring2][Ring1][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][C][N][Branch1][=N][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][N][C][C][Ring1][=C][=C][Ring2][Ring1][Ring2][C][=N][Ring2][Ring1][#Branch2] |
CHEMBL4543227 | [C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][C][Ring2][Ring1][=Branch1][=O] |
CHEMBL4543228 | [C][C][=N][NH1][C][=C][Ring1][Branch1][C][N][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C] |
CHEMBL4543229 | [C][C][O][C][=C][C][=C][Branch2][Ring2][N][C][=N][N][=C][Branch2][Ring1][Branch2][S][C][C][=C][S][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][Ring1][=N][N][Ring2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][P] |
CHEMBL4543230 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#C][C][=Branch1][C][=O][C][C][=N][N][Branch1][P][C][=N][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][NH1][Ring1][#Branch2][C][=Ring1][#C][C][C][C][Ring2][Ring1][Branch2] |
CHEMBL14240 | [C][C][=N][C][Branch1][C][O][=N][C][Branch1][C][O][=C][Ring1][Branch2][/C][=C][/C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2] |
CHEMBL14241 | [C][C][Branch1][C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][Branch1][/C][=C][/C][O][C][=C][Ring1][#Branch2][Br] |
CHEMBL13962 | [C][C][C][C][C][N][C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2].[Cl] |
CHEMBL13963 | [Cl].[N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2] |
CHEMBL13964 | [C][C][C][N][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2].[Cl] |
CHEMBL7474 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][N][C][=N][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][=C][N][=C][Ring1][=Branch2][Ring1][N][=C][Ring2][Ring1][Ring1] |
CHEMBL14177 | [C][C][Branch1][C][C][C][Branch2][Ring2][#C][N][C][=Branch1][C][=O][C][N][C][=C][C][C][=Branch1][C][=O][N][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][NH1][C][=Ring2][Ring1][Ring1][C][Ring2][Ring1][#Branch1][=O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C... |
CHEMBL14178 | [C][C][C][Branch1][C][N][C][C] |
CHEMBL14179 | [C][C][C][C][C][Branch1][C][C][Branch1][S][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][Ring1][#Branch2][Ring2][Ring1][#Branch2] |
CHEMBL13890 | [C][C][C][C][N][C][C][N][Branch2][Ring1][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][Ring1][O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][Ring2][Ring1][Branch2] |
CHEMBL13891 | [C][C][Branch1][C][C][Branch1][C][N][C][=Branch1][C][=O][N][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][O] |
CHEMBL14201 | [C][O][C][=C][C][Branch1][=C][C][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][N][=C][C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][=C][Ring2][Ring1][Ring2][O][C] |
CHEMBL14202 | [C][O][C][C][N][C][=N][N][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][N][=C][Ring1][=N][C][=C][C][=C][C][=C][Ring2][Ring1][Branch1][Ring1][=Branch1] |
CHEMBL14203 | [C][=C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C] |
CHEMBL14204 | [C][S][C][C][C@H1][Branch2][Branch1][Ring1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@H1][Branc... |
CHEMBL14205 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][O] |
CHEMBL14206 | [C][O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][C][=C][Ring1][=Branch2][O][C][C][C][C][N][C][C][C][Branch1][P][C][=N][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S] |
CHEMBL13911 | [C][C][N][C][=C][N][=C][Ring1][Branch1] |
CHEMBL14218 | [C][O][C][=C][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][=C][O][C][C][C][N][C][C][C][Branch1][P][C][=N][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S] |
CHEMBL14219 | [C][C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][#C][O][C][C][C][N][C][C][C][Branch1][P][C][=N][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S][C][Branch1][C][O][=C][Ring2][Ring1][O] |
CHEMBL14220 | [C][C@][C][C][C@H1][C@@H1][Branch1][S][C][C][C][C][C][=Branch1][C][=O][C][=C][N][Ring1][#Branch1][Ring1][O][C@@H1][Ring1][#C][C][C][C][Ring2][Ring1][C][=O] |
CHEMBL14970 | [C][O][C][=C][C][=C][Branch2][=Branch1][#Branch1][N][Branch2][Branch1][=C][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][N+1][Branch1][C][O-1][=C][Branch1][=Branch2][C][C][C][C][C][C][R... |
CHEMBL13937 | [C][C][Branch1][C][C][C][Branch2][Ring2][Branch2][N][C][=Branch1][C][=O][C][N][C][=C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][C][=Ring1][#C][C][Ring2][Ring1][Ring1][=O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4543237 | [O][=C][Branch2][Ring1][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][B][Branch1][C][O][O][C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] |
CHEMBL3309649 | [O][=C][O][C][C][=C][Ring1][Branch1][C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][N][Ring2][Ring1][#Branch2] |
CHEMBL13965 | [C][O][C][=C][C][=C][Branch2][Ring2][#C][C][=C][N][=C][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Ring1][S][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C] |
CHEMBL13966 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][S][C][=Branch1][C][=S][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][F][=C][Ring1][P] |
CHEMBL14060 | [O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL14061 | [C][C][C][C][=C][Branch1][C][O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][Branch2][N][Ring1][Branch1][C][Ring1][P][=O][C][=Branch1][C][=O][N][Branch1][C][C][C][N][Ring1][O][C] |
CHEMBL14063 | [C][S][C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Branch1][Ring2][=C][Ring1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][Branch2] |
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