chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL14042 | [Cl][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch2][Ring1][Ring1][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][=Branch2][Cl][=C][Ring2][Ring1][C][Cl] |
CHEMBL14067 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][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] |
CHEMBL1174 | [N][=C][Branch1][C][N][N][C][C][C][C][C@@H1][N][C][=Branch1][C][=O][C][C][S][S][C][C@@H1][Branch1][=Branch1][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][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]... |
CHEMBL14068 | [N][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2] |
CHEMBL14069 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][Ring1][N] |
CHEMBL14070 | [N][C][=N][C][=C][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][Ring1][=C] |
CHEMBL14160 | [C][C@@H1][Branch1][C][O][C@H1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch2][Ring1][Branch1][S][C@@H1][C][N][C@H1][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][C@H1][Branch1][C][C][C@H1][Ring2][Ring1][#Branch2][Ring2][Ring1][#Branch1] |
CHEMBL13694 | [C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][#C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][Ring1][#C][S][C][Ring2][Ring2][Ring1] |
CHEMBL13695 | [C][C@H1][Branch2][Ring1][=Branch1][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][C][=Branch1][C][=O][N][C@@][Branch1][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CHEMBL13696 | [N][C][=Branch1][C][=O][C][=C][N][Branch1][S][C][Branch1][Ring1][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring1][S] |
CHEMBL13697 | [C][O][C][=Branch1][C][=O][C][=C][N][Branch1][=C][C][Branch1][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring1][=C] |
CHEMBL13698 | [C][=C][C][=C][N][=C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][=C][C][Ring1][O][=C][Ring1][#C] |
CHEMBL13924 | [O][C@@H1][C][N][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][=Branch2][O] |
CHEMBL14014 | [F][C][=C][C][=C][Branch2][Ring2][Branch2][C][N][=C][N][Branch1][=Branch2][C][C][C][N][C][C][Ring1][=Branch1][C][=Ring1][O][C][=C][C][=N][C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][Ring1][=C][C][=C][Ring2][Ring1][#C] |
CHEMBL14015 | [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][S][Ring1][N] |
CHEMBL14016 | [O][=C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][=C][O][C][=C][C][=C][C][=C][Ring1][#C][Ring1][=Branch1] |
CHEMBL14017 | [C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][S][C][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] |
CHEMBL14018 | [N][#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] |
CHEMBL14043 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][Branch2][Ring1][=N][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][O][Ring2][Ring1][=Branch2] |
CHEMBL14136 | [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][C][=C][Branch2][Ring2][Ring1][O][C][C][C][C][C][C][C][C][O][C][=C][C][=C][C][=C][C][=C][Branch1][=Branch2][C][C][N][C][Branch1][C][C][=O][C][Ring1][N][=C][Ring1][S][C][=C][Ring2][Ring2][Ring2][Ring2][Ring1][S] |
CHEMBL14137 | [C][C][Branch1][C][C][Branch1][C][C][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][Ring1][Branch1][Branch1][C][C][C] |
CHEMBL4543235 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S] |
CHEMBL4543236 | [N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][Ring1][=N][=C][Ring1][P][N][C][C][C][O][C][C][Ring1][=Branch1] |
CHEMBL14138 | [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] |
CHEMBL14139 | [C][O][C][=C][C][=C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][#C][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2] |
CHEMBL14140 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][O] |
CHEMBL3309650 | [O][=C][O][C][C][=C][Ring1][Branch1][C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][Cl][=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] |
CHEMBL14161 | [O][=C][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][C][=Branch1][C][=O][N][Ring1][O][C][C][C][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] |
CHEMBL14162 | [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][Branch1][Branch2][C][=N][C][=C][NH1][Ring1][Branch1][O][Ring1][N] |
CHEMBL14163 | [C][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][Ring1][O][C][=C][Ring2][Ring1][N] |
CHEMBL14164 | [C][C][Branch1][C][C][Branch1][C][O][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] |
CHEMBL4543238 | [C][C][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Ring1][N] |
CHEMBL14249 | [N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C@@H1][O][C@H1][Branch2][Ring1][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][C@@H1][Branch1][C][O][C@H1][Ring2][Ring1][Ring2][O] |
CHEMBL13790 | [N][=C][Branch1][C][N][N][C][=Branch1][C][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CHEMBL13791 | [N][=C][Branch1][C][N][N][C][=Branch1][C][=N][N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4543250 | [C][O][C][=C][C][=C][Branch3][Ring1][O][Branch1][C][C@H1][Branch3][Ring1][Branch1][#C][N][C][=Branch1][C][=O][C@@H1][C][S][C][C][C@H1][Branch2][S][Branch2][N][C][=Branch1][C][=O][C@@H1][Branch2][#C][=Branch2][C][C][C][C][N][C][=Branch1][C][=O][C][O][C][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Branch1][#Branch1][N][C][... |
CHEMBL4543251 | [O][=C][Branch2][Ring1][S][C][C][C][C][C][N][C][=C][C][=Branch1][#C][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][O][Ring1][#Branch1][C][C][C][C][Ring1][=C][N][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] |
CHEMBL4543252 | [C][O][C][=C][C][=C][Branch2][#Branch1][N][C][C@H1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch2][Ring1][S][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=Branch1][Ring2][=C][Ring1][Branch2][O][C][=C][C][=C][Branch1][Branch1][... |
CHEMBL4543253 | [C][C][=C][C][=C][Branch2][Branch1][=Branch1][C][=C][S][C][Branch2][Ring2][O][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Ring2][=N][Ring2][Ring1][=C][C][=C][Ring2][Rin... |
CHEMBL4543254 | [F][C][Branch1][C][F][Branch1][C][F][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=N][O][N][=C][Ring1][Branch1][N][=C][Ring1][=Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL13793 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Ring1][=Branch1][C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][O][Ring1][#C] |
CHEMBL13794 | [C][O][C][C][N][Branch1][Branch1][C][C][O][C][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] |
CHEMBL13795 | [N][C@H1][C][C@@H1][Ring1][Ring1][C][=C][NH1][C][=N][Ring1][Branch1] |
CHEMBL13796 | [C][O][C][=Branch1][C][=O][C][C][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] |
CHEMBL14110 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][O][Ring1][N] |
CHEMBL14111 | [C][O][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][#Branch2][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][C][Ring2][Ring1][N] |
CHEMBL14112 | [F][C][=C][C][=C][Branch2][Ring1][=N][C][N][=C][N][Branch1][N][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=Ring1][=C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4543256 | [C][C][Branch1][C][C][Branch1][C][O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][N][=N][Ring1][=Branch1] |
CHEMBL4543257 | [C][C][C][Branch1][C][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring2][Ring1][=Branch1][Ring1][N] |
CHEMBL14113 | [O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][P][Ring1][#Branch1] |
CHEMBL14114 | [O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][P][Ring1][#Branch1] |
CHEMBL14141 | [C][O][C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][=C][C][=C][Ring2][Ring1][C][C][=Ring2][Ring1][#Branch1][Cl] |
CHEMBL14142 | [C][N][Branch1][C][C][C][C][Se][C][C][N][Branch1][C][C][C] |
CHEMBL14225 | [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][O][C][C][C][=C][C][C][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch2][C][Ring2][Ring1][N][C][=C][C][=C][O][Ring1][Branch1] |
CHEMBL14226 | [C][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][C][C][N][Ring1][Branch1] |
CHEMBL14227 | [C][C][C][C][=Branch1][C][=O][O] |
CHEMBL3309651 | [O][=C][O][C][C][=C][Ring1][Branch1][C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][Br][=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] |
CHEMBL3309652 | [O][=C][O][C][C][=C][Ring1][Branch1][C][Branch1][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][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] |
CHEMBL14250 | [C][C][O][C][Branch2][Ring1][O][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][NH1][C][=C][Branch1][C][C][N][=C][C][=C][Ring1][#Branch1][Ring1][O][O][C][C] |
CHEMBL14251 | [C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][C][=Branch1][C][=O][C][Ring1][#Branch2][=O] |
CHEMBL14253 | [C][C][Branch1][C][C][=O] |
CHEMBL14254 | [C][C][Branch1][C][O][C][Branch1][#Branch2][C][P][=Branch1][C][=O][Branch1][C][O][O][O][C][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O] |
CHEMBL13974 | [C][O][C][=C][C][=C][Branch2][Ring2][=C][C][=C][N][=C][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][Branch1][C][C][C][C][=C][Ring2][Ring1][C][S][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N] |
CHEMBL13491 | [C][O][/N][=C][Branch2][Ring1][N][/C][=Branch1][C][=O][N][C@@H1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][O][C@H1][Ring1][N][Ring1][=Branch2][C][=C][S][C][Branch1][C][N][=N][Ring1][=Branch1] |
CHEMBL4543275 | [N][C][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][N] |
CHEMBL4543276 | [C][C][C][=C][Branch1][C][C][N][Branch1][P][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=Ring2][Ring1][C] |
CHEMBL4543277 | [C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Branch1][C][O][C][=C][Ring1][=Branch2][O][C][=C][C][=Branch1][C][=O][/C][=Branch2][Ring1][=N][=C][Branch1][C][/C][N][C][C][=C][N][Branch1][=C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][=C][C][=Branch1][C][=O][C][Ring2][... |
CHEMBL4543278 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][P][C][=C][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Ring1][=C][O][C][Ring2][Ring1][C][=O][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL13492 | [C][C][N][Branch1][N][C][C][C][C][C][C][C][Branch1][C][F][F][C][C][C][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O] |
CHEMBL13493 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][O] |
CHEMBL13494 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][/C][=C][Branch1][N][\C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][O][O][C][C][N][Branch1][Ring1][C][C][C][C][C][=C][Ring1][=C] |
CHEMBL14265 | [C][N][Branch1][C][C][C][=N][S][C][Branch2][Branch1][Branch1][C][=C][C][=C][Branch2][Ring2][=Branch2][N][C][C][N][Branch2][Ring1][=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][C][C][Ring2][Ring1][Ring2][N][=N][Ring2][Rin... |
CHEMBL14266 | [C][N][Branch2][Ring2][Branch1][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][C][C][C][C][Ring1][Ring1] |
CHEMBL14267 | [C][C][C][=C][C][=C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][=C][Ring1][O] |
CHEMBL14268 | [C][C][Branch2][Ring2][P][C][C][C@H1][Branch1][=N][S][C][C][C][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][/C][=C][/C][=C][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=N][Ring1][O][=C][Ring2][Ring1][Ring1][C][C][=Branch1][C][=O][O-1].[Na+1] |
CHEMBL14269 | [C][N][C][=C][N+1][Branch1][C][C][=C][Ring1][=Branch1][/C][=C][/C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][Ring1][N].[I-1] |
CHEMBL14228 | [F][C][=C][C][=C][Branch2][Branch1][Ring1][C][N][=C][N][Branch1][=Branch2][C][C][C][N][C][C][Ring1][=Branch1][C][=Ring1][O][C][=C][C][=N][C][Branch2][Ring1][=Branch1][O][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][=N][Ring2][Ring1][Branch1][C][=C][Ring2][Ring2][=Branch1] |
CHEMBL14229 | [C][C][C][=N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][N][=C][Ring1][Branch2][N][Ring1][O][C][C][=C][C][=C][Branch1][#C][C][C][=C][O][C][=Ring1][Branch1][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][S] |
CHEMBL14230 | [C][C][Branch1][C][C][C][C@H1][Branch2][Branch1][#Branch1][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@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Bra... |
CHEMBL13960 | [O][=C][Branch1][C][O][C][Branch1][C][Cl][Cl] |
CHEMBL103 | [C][C][=Branch1][C][=O][C@H1][C][C][C@H1][C@@H1][C][C][C][=C][C][=Branch1][C][=O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][N][C][C][C@][Ring2][Ring1][Ring1][Ring1][S][C] |
CHEMBL3309653 | [O][=C][O][C][C][=C][Ring1][Branch1][C][Branch1][=N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][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] |
CHEMBL4543282 | [C][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][Cl][=C][Branch1][Ring1][C][#N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][#C][C][#N] |
CHEMBL4543283 | [C][C][=C][C][Branch2][Ring1][#Branch1][/C][=C][Branch1][Ring1][\C][#N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][Branch1][C][C][N][Ring2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CHEMBL4543284 | [O][=C][Branch1][N][C][C][N][C@H1][C][O][C][C@@H1][Ring1][Branch1][O][N][C][S][C][=C][Branch1][P][C][=Ring1][Branch1][C][=N][C][=C][N][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][C][N][C][Ring1][S] |
CHEMBL4543285 | [Cl].[Cl].[N][C][C][=C][C][Branch2][Ring1][=C][O][C][=C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][F][C][Ring1][#Branch1][=C][Ring1][#C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][#Branch2] |
CHEMBL4543286 | [C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][C][N][N][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Ring2][Ring1][C][C][=N][Ring2][Ring1][#Branch2] |
CHEMBL4543287 | [C][C][Branch1][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][O][Ring1][N] |
CHEMBL3309717 | [C][C@H1][O][C][C][O][C@@H1][Ring1][=Branch1][C][N+1][Branch1][C][C][Branch1][C][C][C].[I-1] |
CHEMBL3309718 | [C][N+1][Branch1][C][C][Branch1][C][C][C][C@@H1][C][O][C][C][O][Ring1][=Branch1].[I-1] |
CHEMBL13975 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][C][N][S][C][=Branch1][C][=S][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] |
CHEMBL13977 | [C][C@][C][C][C][C][Branch1][S][C][C][C][=C][C][=Branch1][C][=O][C][C][C@@H1][Ring1][#Branch1][Ring1][O][C][Ring1][#C][C][C@H1][O][C@@][Branch1][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C@][Ring1][=N][Ring2][Ring1][=N][C][=Branch1][C][=O][C][O] |
CHEMBL14071 | [C][C][N][Branch1][Ring1][C][C][C][=N][C][Branch2][Ring1][=N][N][C][C][N][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][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][N] |
CHEMBL14072 | [C][C][C][C][C][=Branch1][#C][=N][N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][Ring1][#Branch2][Ring2][Ring1][Branch2] |
CHEMBL14073 | [C][C][C][C][C][=Branch1][#Branch2][=N][N][C][N][=N][NH1][N][=Ring1][Branch1][C][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][Ring1][#Branch2][Ring2][Ring1][Branch1] |
CHEMBL4543310 | [C][C][=N][C][Branch1][S][C][Branch1][C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][O][Ring1][=C] |
CHEMBL14074 | [C][C][=C][C][=C][Branch1][=Branch2][C][=N][C][C][C][N][Ring1][=Branch1][C][=C][Ring1][N] |
CHEMBL13601 | [C][C][O][C][=Branch1][C][=O][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] |
CHEMBL13602 | [O][=C][Branch2][Ring1][Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Ring1][P] |
CHEMBL13603 | [C][C][C][C][C][C][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[Cl] |
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