label
int64 0
220
| SELFIES
stringlengths 0
5.35k
|
|---|---|
41
|
[C] [O] [C] [=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] [=N] [Ring1] [P]
|
52
|
[N] [#C] [C] [=C] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [Branch1] [N] [C] [=C] [C] [=C] [Branch1] [C] [O] [C] [=C] [Ring1] [#Branch1] [N] [=C] [Ring2] [Ring1] [Ring1] [N]
|
206
|
[C] [C] [=Branch1] [C] [=O] [N] [C] [Branch1] [C] [C] [C] [C] [=C] [C] [=C] [Branch2] [Ring1] [O] [C] [#C] [C] [=C] [C] [=C] [C] [Branch1] [#C] [C] [=Branch1] [C] [=O] [N] [C] [C] [Branch1] [C] [F] [Branch1] [C] [F] [F] [=C] [Ring1] [=C] [C] [=C] [Ring2] [Ring1] [=Branch1]
|
120
|
[C] [C] [=N] [C] [Branch1] [C] [N] [=C] [C] [=C] [Ring1] [#Branch1] [C] [=C] [Branch1] [=C] [C] [=C] [N] [=C] [NH1] [C] [=C] [C] [Ring1] [Branch1] [=C] [Ring1] [=Branch2] [C] [=Branch1] [C] [=O] [N] [Ring1] [S] [C] [C] [C] [C] [C] [Ring1] [Branch1]
|
128
|
[N] [C] [=N] [C] [=N] [C] [=C] [Ring1] [=Branch1] [N] [=C] [N] [Ring1] [Branch1] [C@@H1] [O] [C@H1] [Branch2] [Branch1] [P] [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] [P] [=Branch1] [C] [=O] [Branch1] [C] [O] [O] [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@@H1] [Branch1] [C] [O] [C@H1] [Ring2] [Ring2] [#Branch2] [O]
|
121
|
[C] [C] [=C] [C] [=C] [Branch1] [C] [F] [C] [=C] [Ring1] [#Branch1] [O] [C] [=C] [Branch1] [=N] [C] [=Branch1] [C] [=O] [N] [C] [C] [N] [C] [C] [Ring1] [=Branch1] [C] [=C] [C] [Branch1] [C] [O] [=C] [N] [=C] [Ring1] [#Branch1] [N] [Ring2] [Ring1] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1]
|
163
|
[C] [C@H1] [Branch1] [Ring1] [C] [O] [O] [C] [=C] [C] [Branch2] [Ring1] [Ring2] [O] [C] [=C] [C] [=C] [Branch1] [=Branch2] [S] [Branch1] [C] [C] [=Branch1] [C] [=O] [=O] [C] [=C] [Ring1] [#Branch2] [=C] [C] [Branch1] [=N] [C] [=Branch1] [C] [=O] [N] [C] [=N] [C] [=C] [S] [Ring1] [Branch1] [=C] [Ring2] [Ring1] [=Branch2]
|
37
|
[C] [C] [=C] [C] [Branch1] [=C] [C] [=C] [C] [=C] [C] [C] [=C] [NH1] [C] [Ring1] [=Branch2] [=Ring1] [Branch1] [=C] [Branch1] [Ring1] [C] [#N] [C] [=C] [Ring1] [P] [N] [C] [Branch1] [C] [C] [Branch1] [C] [C] [C@H1] [Branch1] [C] [O] [C@H1] [Ring1] [=Branch2] [C]
|
150
|
[C] [O] [C] [=C] [C] [Branch1] [P] [C] [=C] [C] [=N] [C] [Branch1] [#Branch1] [N] [C] [Branch1] [C] [C] [=O] [=C] [Ring1] [#Branch2] [=C] [C] [=C] [Ring1] [S] [O] [C] [C@@H1] [Branch1] [C] [N] [C] [C] [Branch1] [C] [C] [C]
|
15
|
[O] [=N+1] [Branch1] [C] [O-1] [C] [=C] [C] [=C] [Branch1] [=C] [C] [=N] [O] [C@H1] [C] [C] [C] [C] [C@@H1] [Ring1] [=Branch2] [Ring1] [=Branch1] [C] [Branch1] [=Branch2] [C] [Branch1] [C] [F] [Branch1] [C] [F] [F] [=C] [Ring2] [Ring1] [Ring1]
|
133
|
[C] [N] [C] [C] [=C] [Branch2] [Ring1] [Ring1] [C] [=C] [C] [=C] [Branch1] [=Branch2] [S] [Branch1] [C] [C] [=Branch1] [C] [=O] [=O] [C] [=C] [Ring1] [#Branch2] [NH1] [C] [=N] [C] [=C] [C] [=Branch1] [#Branch1] [=C] [Ring2] [Ring1] [Ring1] [Ring1] [=Branch1] [C] [=C] [C] [Branch1] [C] [F] [=C] [C] [=C] [Ring1] [#Branch1] [Ring2] [Ring1] [N]
|
35
|
[C] [C] [C] [C] [C] [C] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [N] [C] [C] [C@H1] [Ring1] [Ring2] [C@H1] [Branch1] [C] [N] [C] [=C] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [Ring1] [#Branch1]
|
195
|
[C] [N] [Branch1] [C] [C] [C] [C] [Branch1] [C] [O] [C] [=C] [C] [=C] [Branch2] [Ring2] [S] [N] [C] [=C] [Branch1] [#Branch2] [C] [=Branch1] [C] [=O] [C] [C] [C] [Ring1] [Ring1] [C] [=N] [C] [=C] [C] [=C] [Branch2] [Ring1] [C] [C] [=C] [C] [Branch1] [C] [F] [=C] [Branch1] [C] [O] [C] [Branch1] [C] [Cl] [=C] [Ring1] [=Branch2] [C] [=C] [Ring2] [Ring1] [Branch2] [Ring1] [#C] [C] [=C] [Ring2] [Ring1] [#C]
|
191
|
[N] [C] [=N] [C] [=N] [C] [Branch2] [Ring2] [#Branch1] [N] [C] [C] [N] [Branch2] [Ring1] [O] [C] [Branch1] [Branch2] [C] [N] [C] [C] [C] [Ring1] [Ring2] [C] [=C] [C] [=C] [NH1] [C] [=Branch1] [C] [=O] [S] [C] [Ring1] [=Branch1] [=C] [Ring1] [#Branch2] [C] [C] [Ring2] [Ring1] [=Branch1] [=C] [Ring2] [Ring1] [N] [C] [=C] [C] [=C] [Branch1] [C] [F] [C] [=C] [Ring1] [#Branch1]
|
151
|
[C] [C] [=N] [C] [Branch2] [Ring1] [Branch1] [N] [C] [C] [C] [Branch1] [O] [N] [C] [=Branch1] [C] [=O] [C] [Branch1] [C] [C] [C] [C] [C] [Ring1] [N] [=N] [C] [=C] [C] [=C] [Branch2] [Ring1] [Ring1] [N] [C] [=Branch1] [C] [=O] [C] [O] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [#Branch1] [C] [=C] [Ring2] [Ring2] [C] [Ring2] [Ring1] [C]
|
23
|
[C] [C] [=C] [C] [=C] [Branch2] [Ring2] [Branch2] [C] [N] [=C] [Branch2] [Ring1] [Ring1] [C] [N] [C] [=C] [C] [=C] [Branch1] [#Branch1] [C] [=Branch1] [C] [=O] [N] [O] [C] [=C] [Ring1] [#Branch2] [N] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [N] [=Ring2] [Ring1] [#Branch1] [S] [Ring2] [Ring1] [N]
|
46
|
[C] [O] [C] [=C] [C] [Branch2] [Ring1] [=Branch2] [C] [=C] [N] [Branch1] [S] [C] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [N] [=C] [Ring1] [#Branch2] [Ring1] [=Branch1] [N] [=N] [Ring1] [S] [=C] [C] [=C] [Ring2] [Ring1] [=Branch1] [N] [C] [=N] [C] [Branch1] [C] [C] [=C] [Ring1] [=Branch1]
|
181
|
[C] [C] [O] [C] [=C] [C] [=C] [Branch2] [Ring2] [N] [C] [N] [=C] [C] [=C] [C] [=C] [N] [Ring1] [=Branch1] [C] [=Ring1] [=Branch2] [C] [=C] [C] [=N] [C] [Branch2] [Ring1] [Ring1] [N] [C] [=C] [C] [=C] [C] [Branch1] [Branch2] [C] [C] [N] [Branch1] [C] [C] [C] [=C] [Ring1] [O] [=N] [Ring2] [Ring1] [C] [C] [=C] [Ring2] [Ring1] [P]
|
76
|
[C] [C] [=C] [C] [=C] [C] [=Branch1] [Ring2] [=C] [Ring1] [=Branch1] [N] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [C] [Ring1] [Branch2] [C] [C] [N] [Branch1] [N] [C] [C] [C] [C] [C] [C] [C] [C] [C] [Ring1] [Branch2] [C] [C] [Ring1] [#C]
|
133
|
[C] [C] [=Branch1] [C] [=O] [N] [C@@H1] [C] [C] [C] [C@H1] [Branch2] [Ring2] [=Branch1] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [Branch2] [Ring1] [Ring1] [C] [C] [=N] [N] [C] [=Ring1] [Branch1] [C] [C] [Branch1] [C] [C] [Branch1] [C] [C] [C] [Ring1] [#Branch1] [=C] [Branch1] [C] [Cl] [C] [=N] [Ring1] [P] [C] [Ring2] [Ring1] [#Branch2]
|
188
|
[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] [S] [C] [=Ring1] [#C] [C] [O] [C] [=C] [C] [=C] [Branch2] [Ring1] [C] [C@H1] [Branch1] [#Branch1] [C] [C] [=Branch1] [C] [=O] [O] [C] [=N] [C] [=N] [N] [Ring1] [Branch1] [C] [C] [=C] [Ring1] [P]
|
22
|
[C] [N] [C] [=C] [Branch2] [Ring2] [P] [C] [=C] [C] [=C] [C] [Branch2] [Ring1] [=C] [N] [C] [=C] [C] [=C] [Branch2] [Ring1] [C] [N] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [C] [Branch1] [C] [F] [=C] [Ring1] [#Branch1] [C] [=C] [Ring1] [P] [=N] [C] [=N] [C] [Ring2] [Ring1] [Branch2] [=C] [Ring2] [Ring1] [N] [C] [=N] [Ring2] [Ring1] [P]
|
130
|
[C] [O] [C] [=C] [C] [N] [=C] [N] [Branch2] [Ring1] [S] [C] [=C] [C] [Branch1] [#C] [O] [C] [C] [=C] [C] [=C] [C] [Branch1] [Ring1] [C] [#N] [=C] [Ring1] [Branch2] [=C] [Branch1] [=Branch1] [C] [Branch1] [C] [N] [=O] [S] [Ring2] [Ring1] [C] [C] [=Ring2] [Ring1] [#Branch1] [C] [=C] [Ring2] [Ring1] [O] [O] [C]
|
79
|
[O] [=C] [Branch2] [Ring2] [C] [N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=Branch1] [C] [=O] [N] [/N] [=C] [/C] [=C] [Branch1] [C] [O] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [O] [Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [Cl]
|
159
|
[C] [O] [C] [=C] [C] [=C] [Branch2] [Ring2] [=Branch2] [O] [C] [=C] [C] [=C] [Branch2] [Ring1] [O] [N] [C] [=Branch1] [C] [=O] [C] [=C] [C] [Branch1] [N] [C] [=C] [C] [=C] [Branch1] [C] [C] [C] [=C] [Ring1] [#Branch1] [=C] [C] [=N] [Ring1] [=N] [C] [=C] [Ring2] [Ring1] [=Branch1] [F] [C] [=C] [N] [=C] [Ring2] [Ring1] [=C] [C] [=C] [Ring2] [Ring2] [C] [O] [C] [C] [C] [N] [C] [C] [N] [Branch1] [C] [C] [C] [C] [Ring1] [#Branch1]
|
100
|
[C] [C] [N] [C] [=C] [C] [Branch2] [Ring2] [N] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [#Branch2] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C@H1] [Branch1] [C] [O] [C] [N] [C] [C] [=C] [C] [=C] [C] [Branch1] [#Branch2] [O] [C] [Branch1] [C] [F] [Branch1] [C] [F] [F] [=C] [Ring1] [O] [=C] [C] [Branch1] [=Branch2] [N] [C] [C] [C] [C] [Ring1] [Branch1] [=O] [=C] [Ring2] [Ring2] [#Branch1]
|
204
|
[C] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=N] [N] [=C] [N] [Ring1] [Branch1] [C] [C] [N] [Branch1] [P] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [Branch1] [C] [F] [C] [=C] [Ring1] [#Branch1] [Cl] [C] [Ring1] [S]
|
178
|
[C] [C] [N] [Branch1] [Ring1] [C] [C] [C] [=Branch1] [C] [=O] [C@@H1] [Branch1] [C] [C] [O] [C] [=C] [C] [Branch1] [C] [F] [=C] [C] [=C] [Ring1] [#Branch1] [N] [C] [=N] [C] [=N] [C] [=C] [C] [Branch1] [#Branch2] [N] [=S] [Branch1] [C] [C] [Branch1] [C] [C] [=O] [=C] [C] [Branch1] [C] [C] [=C] [Ring1] [S] [Ring1] [N]
|
169
|
[C] [C] [=C] [C] [Branch2] [Ring1] [#C] [O] [C] [C] [C] [=C] [Branch2] [Ring1] [Ring1] [C] [=C] [C] [=C] [Branch1] [=Branch2] [C] [Branch1] [C] [F] [Branch1] [C] [F] [F] [C] [=C] [Ring1] [#Branch2] [O] [N] [=Ring1] [#C] [=C] [C] [S] [C] [=C] [Branch1] [#Branch1] [C] [C] [=Branch1] [C] [=O] [O] [C] [Ring2] [Ring1] [=C] [=Ring1] [=Branch2]
|
152
|
[N] [#C] [C] [=C] [C] [=C] [C] [Branch2] [Ring2] [Ring2] [N] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [C] [N] [C] [C] [C] [Branch1] [#Branch2] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [C] [Ring1] [=N] [=C] [Ring2] [Ring1] [#C]
|
21
|
[C] [O] [C] [C] [N] [Branch2] [Ring1] [=Branch2] [C] [C] [C] [C] [C] [N] [Branch1] [=C] [C] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [Ring1] [=Branch2] [C] [Ring1] [#C] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [=C] [Branch1] [C] [Br] [C] [=C] [C] [Ring1] [#Branch1] [=C] [Ring1] [O]
|
60
|
[C] [O] [/N] [=C] [Branch2] [Ring1] [Branch1] [/C] [C] [N] [C] [C] [N] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=N] [Ring1] [=Branch1] [C] [C] [Ring1] [N] [C] [=C] [C] [=C] [Branch1] [C] [F] [C] [Branch1] [C] [Cl] [=C] [Ring1] [Branch2]
|
72
|
[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]
|
191
|
[C] [C] [N] [Branch1] [Ring1] [C] [C] [C] [C] [N] [C] [C] [=C] [C] [Branch1] [=Branch1] [C] [Branch1] [C] [N] [=O] [=C] [N] [=C] [N] [=C] [Branch2] [Ring1] [#C] [N] [C] [C] [=C] [C] [=C] [C] [Branch2] [Ring1] [C] [N] [C] [Branch1] [C] [O] [C] [=C] [C] [=C] [Branch1] [Ring1] [O] [C] [C] [=C] [Ring1] [Branch2] [=C] [Ring1] [P] [C] [Ring2] [Ring1] [=Branch2] [=C] [Ring2] [Ring1] [S]
|
117
|
[C] [C] [C] [C] [=C] [C] [=C] [Branch2] [Branch1] [P] [C] [C] [C@H1] [Branch2] [Ring1] [S] [N] [C@H1] [Branch2] [Ring1] [=Branch1] [C] [C] [C] [C] [N] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [Ring1] [#Branch2] [=O] [C] [=Branch1] [C] [=O] [O] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [#Branch1] [C] [C] [Branch1] [C] [C] [C] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [Ring2] [Ring2] [=C]
|
201
|
[C] [C] [=C] [C] [=C] [C] [Branch2] [Ring1] [P] [N] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [Branch1] [P] [C] [=C] [S] [C] [=C] [C] [=N] [C] [Branch1] [C] [N] [=C] [Ring1] [#Branch2] [Ring1] [#Branch1] [C] [=C] [Ring1] [S] [=C] [Ring2] [Ring1] [#Branch2]
|
204
|
[C] [C] [=C] [Branch1] [C] [Br] [C] [=C] [C] [=C] [Ring1] [#Branch1] [N] [C] [C] [N] [Branch1] [=C] [C] [C] [=C] [C] [=C] [Branch1] [C] [F] [C] [=C] [Ring1] [#Branch1] [Cl] [C] [=Branch1] [C] [=O] [C] [Ring1] [S] [=O]
|
175
|
[C] [S] [C] [=C] [C] [=C] [Branch2] [Ring2] [O] [C] [=C] [C] [=C] [Branch2] [Ring1] [#C] [C@H1] [Branch2] [Ring1] [Ring1] [N] [C@@H1] [Branch1] [#Branch1] [C] [C] [Branch1] [C] [C] [C] [C] [=Branch1] [C] [=O] [N] [C] [C] [#N] [C] [Branch1] [C] [F] [Branch1] [C] [F] [F] [C] [=C] [Ring2] [Ring1] [#Branch1] [C] [=C] [Ring2] [Ring1] [=N]
|
6
|
[C] [O] [C] [=C] [C] [=C] [Branch1] [=C] [N] [C] [=C] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [Ring1] [#Branch1] [C] [N] [=C] [N] [=C] [Ring1] [#C] [C] [=C] [Ring2] [Ring1] [Ring1] [O] [C@H1] [C] [O] [C@H1] [C@@H1] [Ring1] [Branch1] [O] [C] [C@@H1] [Ring1] [Branch1] [O] [C]
|
47
|
[C] [N] [Branch1] [=C] [C] [C] [Branch1] [C] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [Branch2] [Ring1] [Branch2] [C] [C] [N] [C] [C] [Branch1] [C] [O] [C] [=C] [C] [=C] [Branch1] [C] [O] [C] [Branch1] [Ring1] [C] [O] [=C] [Ring1] [=Branch2] [C] [=C] [Ring2] [Ring1] [Branch1]
|
17
|
[C] [C] [C] [N] [Branch1] [Ring2] [C] [C] [C] [C] [C] [C] [C] [=C] [C] [=C] [C] [Branch1] [C] [O] [=C] [Ring1] [#Branch1] [C] [Ring1] [O]
|
205
|
[C] [O] [C] [=C] [C] [=C] [Branch2] [Branch1] [P] [N] [Branch2] [Branch1] [Branch1] [C] [=C] [C] [=C] [C] [Branch2] [Ring2] [=Branch2] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [#Branch2] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C@H1] [Branch1] [C] [O] [C] [N] [C@@H1] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [N] [C] [C] [C] [C] [C] [C] [Ring1] [=Branch1] [=C] [Ring2] [Ring1] [S] [S] [Branch1] [C] [C] [=Branch1] [C] [=O] [=O] [C] [=C] [Ring2] [Ring2] [O]
|
16
|
[C] [C] [Branch1] [C] [C] [Branch1] [C] [C] [O] [C] [=Branch1] [C] [=O] [N] [C] [Branch2] [Ring2] [=Branch2] [C] [N] [C] [=Branch1] [C] [=O] [C] [N] [N] [=C] [Branch1] [O] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [S] [Ring1] [=Branch1] [N] [Branch1] [O] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [F] [C] [Ring2] [Ring1] [Ring1] [=O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [Branch1] [C] [F] [Branch1] [C] [F] [F]
|
104
|
[N] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [Branch2] [Ring2] [=Branch1] [C] [C] [/N] [=C] [/C] [=C] [C] [=C] [Branch2] [Ring1] [#Branch1] [/C] [=N] [/C] [C] [C] [=C] [C] [=C] [Branch1] [=Branch2] [S] [Branch1] [C] [N] [=Branch1] [C] [=O] [=O] [C] [=C] [Ring1] [#Branch2] [O] [Ring2] [Ring1] [Ring1] [C] [=C] [Ring2] [Ring1] [=N]
|
194
|
[N] [C] [=C] [C] [Branch2] [Ring2] [Ring1] [C] [C] [C] [C] [Branch2] [Ring1] [#Branch1] [C] [N] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [N+1] [=Branch1] [C] [=O] [O-1] [C] [C] [Ring2] [Ring1] [Ring2] [=N] [N] [Ring2] [Ring1] [=Branch2] [C] [=C] [C] [=C] [C] [Branch1] [=Branch2] [C] [Branch1] [C] [F] [Branch1] [C] [F] [F] [=C] [Ring1] [#Branch2]
|
158
|
[C] [C] [C] [C] [C@H1] [Branch2] [#C] [=Branch2] [N] [C] [=Branch1] [C] [=O] [C@H1] [Branch1] [#Branch1] [C] [C] [Branch1] [C] [C] [C] [N] [C] [=Branch1] [C] [=O] [C@H1] [Branch1] [#Branch2] [C] [C] [C] [N] [C] [=Branch1] [C] [=N] [N] [N] [C] [=Branch1] [C] [=O] [C@H1] [Branch1] [C] [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] [=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] [C] [C] [N] [C] [=Branch1] [C] [=O] [C@@H1] [Branch2] [Branch2] [#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] [Branch2] [=Branch1] [S] [N] [C] [=Branch1] [C] [=O] [C@H1] [Branch1] [C] [C] [N] [C] [=Branch1] [C] [=O] [C@@H1] [Branch1] [C] [C] [N] [C] [=Branch1] [C] [=O] [C@H1] [Branch1] [=Branch1] [C] [C] [C] [C] [N] [N] [C] [=Branch1] [C] [=O] [C@H1] [Branch1] [Ring1] [C] [O] [N] [C] [=Branch1] [C] [=O] [C@H1] [Branch1] [Branch2] [C] [C] [C] [Branch1] [C] [N] [=O] [N] [C] [=Branch1] [C] [=O] [C@H1] [Branch1] [#Branch2] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [N] [C] [Branch1] [C] [C] [=O] [C] [Branch1] [C] [C] [C] [C] [Branch1] [C] [C] [C] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [=Branch1] [C] [C] [C] [C] [N] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [#Branch1] [C] [C] [Branch1] [C] [C] [C] [C] [Branch1] [C] [N] [=O]
|
58
|
[C] [C] [=C] [C] [=C] [Branch1] [=C] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [Ring1] [#C] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [N] [C] [C] [C] [C] [C] [Ring1] [=Branch1]
|
87
|
[C] [C] [C] [=N] [C] [=C] [C] [=C] [Branch1] [P] [O] [C] [C] [C] [N] [Branch1] [=Branch1] [C] [Branch1] [C] [C] [=N] [C] [C] [Ring1] [=Branch2] [C] [=C] [Ring1] [S] [N] [Ring2] [Ring1] [Ring1] [C] [/C] [Branch1] [C] [C] [=C] [/C] [=C] [C] [=C] [C] [Branch1] [C] [N] [=C] [Ring1] [#Branch1]
|
145
|
[C] [C] [Branch1] [C] [C] [N] [C] [=Branch1] [C] [=O] [N] [Branch2] [Ring2] [O] [C] [C] [Branch2] [Ring1] [S] [C] [O] [C] [=C] [C] [=C] [Branch2] [Ring1] [Ring1] [C] [=C] [C] [=C] [Branch1] [=Branch2] [S] [Branch1] [C] [C] [=Branch1] [C] [=O] [=O] [C] [=C] [Ring1] [#Branch2] [C] [=C] [Ring1] [S] [N] [Branch1] [C] [O] [C] [=O] [C] [Ring2] [Ring1] [#C] [=O]
|
164
|
[C] [O] [C] [=C] [C] [=C] [Branch2] [Ring1] [Branch2] [N] [C] [=N] [C] [Branch1] [Ring1] [C] [#N] [=N] [C] [Branch1] [=Branch2] [N] [C] [C] [N] [C] [C] [Ring1] [=Branch1] [=N] [Ring1] [=C] [C] [=C] [Ring2] [Ring1] [Branch1]
|
95
|
[C] [C] [Branch1] [C] [C] [C] [=C] [C] [Branch2] [Ring2] [O] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [#Branch2] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C@H1] [Branch1] [C] [O] [C] [N] [C] [C] [=C] [C] [=C] [C] [Branch1] [=Branch2] [C] [Branch1] [C] [F] [Branch1] [C] [F] [F] [=C] [Ring1] [#Branch2] [=C] [C] [Branch2] [Ring1] [Ring2] [N] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [S] [Branch1] [C] [C] [=Branch1] [C] [=O] [=O] [=C] [Ring2] [Ring2] [O]
|
36
|
[C] [=C] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [C] [Branch2] [Branch1] [=Branch1] [N] [C] [=Branch1] [C] [=O] [C] [=Branch1] [C] [=O] [N] [Branch1] [Ring1] [C] [C] [C] [=C] [N] [=C] [Branch2] [Ring1] [=Branch2] [N] [C] [=C] [C] [=C] [Branch1] [N] [N] [C] [C] [N] [Branch1] [C] [C] [C] [C] [Ring1] [#Branch1] [C] [=C] [Ring1] [=N] [O] [C] [N] [=C] [Ring2] [Ring1] [=Branch1] [Ring2] [Ring1] [=C] [=C] [Ring2] [Ring2] [Ring2]
|
21
|
[C] [O] [C] [=C] [C] [=C] [C] [C] [=C] [Branch2] [Ring2] [C] [C] [=Branch1] [C] [=O] [N] [C] [C] [C] [C] [C] [C] [N] [C] [=C] [C] [=Branch1] [N] [=N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [#Branch2] [Ring1] [=Branch1] [C] [C] [C] [Ring1] [N] [O] [C] [Ring2] [Ring1] [S] [=Ring2] [Ring1] [N]
|
77
|
[O] [=C] [C] [=Branch1] [C] [=O] [N] [Branch1] [#Branch2] [C] [C] [C] [C] [C] [C] [C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [Branch2] [Ring1] [=Branch2] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [N] [C] [C] [C] [C@H1] [Ring1] [Branch1] [C] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [Ring2] [Ring1] [=Branch1] [Ring2] [Ring1] [P]
|
160
|
[N] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [Branch2] [Ring1] [C] [N] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [Branch1] [C] [F] [C] [=C] [Ring1] [#Branch1] [C] [=C] [Ring1] [P]
|
145
|
[C] [C] [N] [Branch1] [Ring1] [C] [C] [C] [O] [C] [=C] [C] [=C] [Branch2] [Ring1] [S] [C] [C] [Branch1] [C] [C] [Branch1] [#Branch1] [C] [=Branch1] [C] [=O] [N] [O] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [Branch1] [C] [Br] [C] [=C] [Ring1] [#Branch1] [C] [=C] [Ring2] [Ring1] [#Branch1]
|
97
|
[C] [C] [C] [N] [C] [=Branch1] [C] [=O] [C] [N] [=C] [Branch2] [Ring1] [=C] [C@] [C] [C] [C@] [Branch1] [=C] [C] [=Branch1] [C] [=O] [N] [C] [C] [C] [=Branch1] [C] [=O] [O] [C] [Branch1] [Branch1] [C] [C] [Ring1] [#C] [C] [C] [Ring1] [P] [NH1] [C] [=Ring2] [Ring1] [=Branch1] [N] [Branch1] [Ring2] [C] [C] [C] [C] [Ring2] [Ring1] [=C] [=O]
|
64
|
[O] [=C] [Branch1] [Branch2] [C] [C] [C] [O] [C] [Ring1] [Ring2] [N] [C@H1] [C] [C] [C@H1] [Branch2] [Ring1] [#Branch2] [C] [C] [N] [C] [C] [C] [Branch1] [=C] [C] [=C] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch2] [Ring1] [=Branch1] [C] [C] [Ring1] [#C] [C] [C] [Ring2] [Ring1] [#Branch1]
|
97
|
[C] [C] [S] [C] [C] [N] [C] [=Branch1] [C] [=O] [C] [NH1] [C] [Branch1] [Branch2] [C] [=C] [C] [=C] [O] [Ring1] [Branch1] [=N] [C] [=Ring1] [#Branch2] [N] [Branch1] [=Branch1] [C] [C] [C] [O] [C] [C] [Ring2] [Ring1] [Ring2] [=O]
|
198
|
[C] [C] [Branch1] [C] [C] [C] [/C] [=Branch1] [S] [=N] [/N] [C] [=N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [S] [Ring1] [=Branch2] [C] [=C] [C] [Branch1] [S] [C] [=C] [C] [=C] [C] [Branch1] [=Branch1] [C] [=Branch1] [C] [=O] [O] [=N] [Ring1] [=Branch2] [=C] [C] [=C] [Ring1] [#C] [O] [Ring2] [Ring1] [#C]
|
46
|
[C] [O] [C] [=C] [C] [Branch2] [Ring1] [Branch2] [C] [N] [=C] [Branch1] [C] [C] [N] [Branch1] [N] [C] [=C] [C] [=C] [Branch1] [C] [F] [C] [=C] [Ring1] [#Branch1] [N] [=Ring1] [=N] [=C] [C] [=C] [Ring2] [Ring1] [Ring1] [N] [C] [=N] [C] [Branch1] [C] [C] [=C] [Ring1] [=Branch1]
|
220
|
[O] [=C] [Branch1] [Ring1] [N] [O] [C] [=C] [C] [=C] [Branch2] [Ring1] [O] [C] [N] [C] [C] [C] [Branch1] [S] [C] [N] [C@H1] [C] [C@@H1] [Ring1] [Ring1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [C] [Ring1] [P] [C] [=C] [Ring2] [Ring1] [Branch2]
|
179
|
[C] [C] [Branch1] [C] [N] [C] [O] [C] [=C] [N] [=C] [Branch1] [C] [Cl] [C] [Branch1] [O] [C] [=C] [C] [=C] [C] [=N] [C] [=C] [Ring1] [=Branch1] [=C] [Ring1] [#C]
|
46
|
[C] [C] [Branch1] [C] [C] [C] [C] [C@H1] [Branch1] [S] [C] [=N] [C] [=C] [Branch1] [=Branch1] [C] [Branch1] [C] [C] [C] [C] [=N] [Ring1] [=Branch2] [N] [C] [C] [C@@H1] [Branch1] [#Branch1] [C] [C] [=Branch1] [C] [=O] [O-1] [C] [C@H1] [Ring1] [#Branch2] [C] [=C] [C] [=C] [Branch1] [=Branch2] [C] [Branch1] [C] [F] [Branch1] [C] [F] [F] [C] [=C] [Ring1] [#Branch2] .[Na+1]
|
144
|
[C] [N] [Branch1] [C] [C] [C] [C] [Branch1] [C] [O] [C] [O] [C] [=C] [C] [=C] [Branch2] [Ring1] [Branch1] [N] [C] [=N] [C] [=C] [C] [Branch1] [#Branch2] [N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [=N] [Ring1] [=N] [C] [=C] [Ring2] [Ring1] [Ring2]
|
217
|
[C] [C] [C] [C] [C] [=Branch1] [C] [=O] [N] [N] [=C] [Ring1] [#Branch1] [C] [=C] [C] [=C] [N] [=C] [Branch2] [Ring1] [Branch1] [C] [=C] [C] [=C] [C] [Branch1] [O] [O] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [=C] [Ring1] [=C] [O] [C] [Ring2] [Ring1] [Ring1] [=C] [Ring2] [Ring1] [#Branch1]
|
17
|
[C] [C] [=C] [C] [Branch1] [C] [Br] [=C] [C] [Branch1] [C] [C] [=C] [Ring1] [Branch2] [C] [C] [=N] [C] [C] [N] [Ring1] [Branch1]
|
32
|
[O] [=C] [Branch1] [#C] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [=C] [Ring1] [Branch2] [N] [C] [=C] [C] [=N] [Ring1] [Branch1]
|
23
|
[C] [C] [O] [C] [=C] [C] [=C] [Branch1] [S] [C] [C@H1] [C] [C@H1] [Branch1] [#Branch1] [C] [=Branch1] [C] [=O] [N] [O] [C] [Ring1] [Branch2] [C] [=C] [Ring1] [#C] [C] [=N] [C] [C] [Branch1] [Ring1] [C] [C] [=N] [N] [Branch1] [C] [C] [C] [=Ring1] [Branch2] [C] [=Branch1] [C] [=O] [NH1] [Ring1] [=N]
|
146
|
[C] [C] [=Branch1] [C] [=O] [N] [C] [C@H1] [Branch1] [#Branch1] [C] [=Branch1] [C] [=O] [N] [O] [C@H1] [Branch2] [Ring2] [Branch1] [N] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [Branch2] [Ring1] [Ring2] [O] [C] [C] [=C] [C] [Branch1] [C] [C] [=N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [O] [Ring1] [=Branch1] [C] [=C] [Ring2] [Ring1] [Ring1] [C] [Ring2] [Ring1] [#C]
|
171
|
[C] [C] [C] [=Branch1] [C] [=O] [C] [C] [C] [N] [Branch2] [Ring2] [C] [C] [=Branch1] [C] [=O] [C] [C] [=N] [N] [Branch2] [Ring1] [Ring1] [C] [=N] [C] [=C] [Branch1] [Branch2] [C] [=Branch1] [C] [=O] [NH1] [Ring1] [#Branch1] [C] [C] [C] [Ring1] [Branch2] [C] [=Ring1] [#C] [C] [C] [C] [Ring2] [Ring1] [Branch2]
|
126
|
[C] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [Branch2] [Ring1] [Ring2] [N] [C] [C] [=N] [C] [Branch1] [=Branch2] [C] [=C] [C] [=N] [C] [=C] [Ring1] [=Branch1] [=N] [NH1] [Ring1] [O] [=C] [C] [=C] [Ring2] [Ring1] [Ring1] [Cl]
|
131
|
[C] [C] [=C] [N] [=C] [Branch2] [Ring1] [Ring2] [N] [C] [=C] [C] [=C] [C] [Branch1] [=Branch2] [S] [Branch1] [C] [N] [=Branch1] [C] [=O] [=O] [=C] [Ring1] [#Branch2] [N] [=C] [Ring1] [P] [N] [C] [=C] [C] [=C] [Branch1] [Branch2] [O] [C] [C] [Branch1] [C] [N] [=O] [C] [=C] [Ring1] [O]
|
43
|
[O] [C] [=C] [C] [=C] [C] [Branch1] [P] [C] [=C] [C] [=C] [C] [=C] [Branch1] [C] [O] [C] [=C] [Ring1] [#Branch1] [S] [Ring1] [#Branch2] [=C] [Ring1] [S]
|
2
|
[C] [C] [C] [O] [C] [=N] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [S] [C] [Branch2] [Ring1] [#Branch2] [N] [C] [=Branch1] [C] [=O] [C] [C] [=C] [C] [=C] [Branch1] [#Branch2] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [C] [C] [C] [=C] [Ring1] [O] [=C] [Ring2] [Ring1] [Ring2]
|
14
|
[C] [N] [C] [=C] [Branch1] [P] [C] [=C] [C] [=N] [C] [Branch1] [C] [Br] [=C] [N] [=C] [Ring1] [#Branch1] [NH1] [Ring1] [#Branch2] [C] [=C] [C] [Branch1] [C] [F] [=C] [C] [=C] [Ring1] [#Branch1] [Ring2] [Ring1] [Ring2]
|
91
|
[C] [N] [Branch1] [C] [C] [C] [=C] [C] [=C] [Branch2] [Ring1] [#C] [/C] [=C] [/C] [=C] [\C] [=Branch1] [C] [=O] [N] [Branch1] [#Branch2] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [Ring1] [P] [C] [=C] [Ring2] [Ring1] [#Branch2]
|
181
|
[C] [C] [N] [C] [C] [C] [=C] [C] [=C] [Branch2] [Ring2] [#Branch1] [N] [C] [=N] [C] [=C] [Branch1] [C] [Cl] [C] [Branch2] [Ring1] [#Branch1] [N] [C@@H1] [C] [C] [C] [C] [C@H1] [Ring1] [=Branch1] [N] [C] [=Branch1] [C] [=O] [C] [Branch1] [C] [F] [Branch1] [C] [F] [F] [=N] [Ring2] [Ring1] [Branch1] [C] [=C] [Ring2] [Ring1] [N] [C] [C] [Ring2] [Ring1] [P]
|
47
|
[C] [C] [Branch1] [C] [C] [Branch1] [=C] [C] [C] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [#Branch1] [N] [C] [C@H1] [Branch1] [C] [O] [C] [=C] [C] [=C] [Branch1] [C] [O] [C] [NH1] [C] [=Branch1] [C] [=O] [C] [=C] [C] [Ring1] [N] [=Ring1] [#Branch1] .[Cl]
|
198
|
[C] [C] [=C] [Branch2] [Ring2] [=N] [C] [=C] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [C] [=C] [Branch2] [Ring1] [#Branch2] [C] [=C] [Branch1] [C] [O] [C] [Branch1] [C] [O] [=C] [Ring1] [Branch2] [C] [=Branch1] [C] [=O] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [Ring2] [Ring1] [#Branch1] [=O] [C] [=Branch1] [C] [=O] [C] [=C] [C] [Branch1] [C] [O] [=C] [Branch1] [C] [O] [C] [Branch1] [=C] [C] [=Branch1] [C] [=O] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [=C] [Ring1] [P] [C] [Ring2] [Ring2] [=C] [=O]
|
0
|
[C] [C] [=N] [N] [Branch1] [#Branch2] [C] [Branch1] [C] [C] [Branch1] [C] [C] [C] [#N] [C] [=C] [Ring1] [#Branch2] [N] [C] [=N] [C] [=C] [Branch1] [Ring1] [C] [#N] [C] [Branch1] [#Branch1] [N] [C] [C] [C] [Ring1] [Ring1] [=N] [Ring1] [N]
|
104
|
[N] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [Branch2] [Ring1] [Ring1] [N] [C] [=N] [C] [=C] [C] [=Branch1] [Ring2] [=N] [Ring1] [=Branch1] [C] [C] [C] [C] [Ring1] [#Branch1] [=O] [C] [=C] [Ring2] [Ring1] [C]
|
84
|
[O] [=C] [Branch1] [S] [C] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [=C] [Ring1] [Branch2] [N] [C] [C] [N] [Branch1] [=C] [C] [C] [=C] [C] [=N] [N] [=C] [N] [Ring1] [Branch1] [N] [=Ring1] [=Branch2] [C] [C] [Ring1] [#C]
|
21
|
[C] [C] [Branch1] [C] [C] [Branch1] [C] [C] [O] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [S] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [Ring1] [=C]
|
46
|
[O] [=C] [Branch1] [#Branch1] [N] [C] [C] [C] [Ring1] [Ring1] [C] [=C] [C] [=C] [Branch2] [Ring2] [N] [C] [N] [Branch2] [Ring1] [Branch1] [C] [C] [C] [Branch1] [=Branch2] [C] [Branch1] [C] [F] [Branch1] [C] [F] [F] [C] [C] [N] [C] [Ring1] [O] [=O] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [#Branch1] [C] [=C] [Ring2] [Ring1] [=C]
|
71
|
[C] [C] [Branch1] [C] [C] [C] [N] [C] [Branch1] [C] [N] [=N] [C] [=C] [C] [=C] [Branch2] [Ring1] [#Branch2] [C] [=C] [Branch1] [N] [C] [=C] [C] [=C] [Branch1] [C] [F] [C] [=C] [Ring1] [#Branch1] [N] [=C] [S] [C] [=C] [N] [Ring1] [#C] [Ring1] [Branch1] [C] [=C] [Ring2] [Ring1] [Branch1] [Ring2] [Ring1] [=Branch2]
|
47
|
[C] [C@H1] [Branch2] [Ring1] [#Branch2] [N] [C] [C@H1] [Branch1] [C] [O] [C] [=C] [C] [=C] [Branch1] [C] [O] [C] [NH1] [C] [=Branch1] [C] [=O] [S] [C] [Ring1] [O] [=Ring1] [=Branch1] [C] [C] [C] [C] [C] [C] [Ring1] [=Branch1]
|
145
|
[C] [C] [Branch1] [C] [C] [N] [C] [=Branch1] [C] [=O] [O] [C@] [Branch1] [#Branch1] [C] [=Branch1] [C] [=O] [C] [O] [C@@H1] [Branch1] [C] [C] [C] [C@H1] [C@@H1] [C] [C] [C] [=C] [C] [=Branch1] [C] [=O] [C] [=C] [C@] [Ring1] [#Branch1] [Branch1] [C] [C] [C@@] [Ring1] [N] [Branch1] [C] [F] [C@@H1] [Branch1] [C] [O] [C] [C@@] [Ring2] [Ring1] [C] [Ring2] [Ring1] [#Branch2] [C]
|
199
|
[C] [N] [C] [C] [C] [Branch2] [Ring2] [C] [C] [N] [C] [=N] [C] [Branch1] [=C] [N] [C] [=C] [C] [=C] [Branch1] [Ring1] [C] [#N] [N] [=C] [Ring1] [Branch2] [=N] [C] [=C] [Ring1] [#C] [C] [Branch1] [C] [F] [Branch1] [C] [F] [F] [C] [C] [Ring2] [Ring1] [O]
|
138
|
[C] [O] [C] [=C] [C] [=C] [Branch2] [Ring1] [S] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [N] [Branch1] [Branch2] [C] [C] [=Branch1] [C] [=O] [N] [O] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [N+1] [=Branch1] [C] [=O] [O-1] [C] [=C] [Ring2] [Ring1] [=Branch2]
|
10
|
[C] [C] [=C] [C] [=C] [Branch2] [Ring2] [Branch1] [N] [C] [=Branch1] [C] [=O] [C] [=C] [C] [Branch1] [N] [N] [C] [C] [N] [Branch1] [C] [C] [C] [C] [Ring1] [#Branch1] [=C] [C] [Branch1] [=Branch2] [C] [Branch1] [C] [F] [Branch1] [C] [F] [F] [=C] [Ring1] [P] [C] [=C] [Ring2] [Ring1] [#Branch2] [N] [C] [=Branch1] [C] [=O] [C] [C] [=N] [O] [C] [=Ring1] [Branch1] [C]
|
92
|
[C] [C] [=C] [C] [=C] [C] [Branch2] [Branch1] [Branch1] [C] [N] [C] [Branch1] [N] [C] [O] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=Branch1] [C] [=O] [N] [C] [C] [C] [Branch1] [Branch1] [C] [C] [Ring1] [=Branch1] [C] [N] [Branch1] [=Branch2] [S] [Branch1] [C] [C] [=Branch1] [C] [=O] [=O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [Ring1] [#C] [=C] [Ring2] [Ring2] [=Branch1]
|
183
|
[O] [=C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [N] [Ring1] [=Branch2] [C] [C] [C] [N] [Branch2] [Ring1] [Branch2] [C] [C] [Branch1] [C] [O] [C] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [Branch1] [C] [F] [Branch1] [C] [F] [F] [C] [C] [Ring2] [Ring1] [Branch1]
|
199
|
[C] [O] [C] [=C] [C] [=C] [Branch1] [=Branch1] [C] [=C] [Ring1] [=Branch1] [O] [C] [C] [C] [Ring1] [Branch2] [=N] [NH1] [C] [=Ring1] [Branch1] [C] [=C] [C] [=C] [Branch1] [Ring1] [C] [#N] [C] [=C] [Ring1] [Branch2]
|
60
|
[C] [C] [C] [N] [Branch2] [Ring1] [N] [C] [C] [C] [C] [N] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=N] [Ring1] [=Branch1] [C] [=C] [Ring1] [N] [C] [C@@H1] [C] [C@H1] [Ring1] [Ring1] [C] [=C] [C] [Branch1] [C] [F] [=C] [C] [=C] [Ring1] [#Branch1] [O] [C] .[Cl]
|
152
|
[O] [=C] [Branch2] [Ring2] [C] [N] [C@@H1] [C] [C@H1] [C] [C] [C@@H1] [Branch1] [Ring2] [C] [Ring1] [#Branch1] [N] [Ring1] [=Branch1] [C] [C] [=C] [C] [=C] [C] [=C] [Branch1] [C] [F] [C] [=C] [C] [Ring1] [#Branch1] [=C] [Ring1] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=N] [C] [=C] [S] [Ring1] [Branch1]
|
80
|
[Cl] .[O] [=C] [Branch2] [Ring2] [=N] [O] [C@@] [C] [C] [C] [=Branch1] [C] [=O] [C@@H1] [O] [C] [=C] [Branch1] [C] [O] [C] [=C] [C] [=C] [Ring1] [#Branch1] [C@@] [Ring1] [#Branch2] [Ring1] [#C] [C] [C] [N] [Branch1] [#Branch1] [C] [C] [C] [C] [Ring1] [Ring1] [C@@H1] [Ring2] [Ring1] [#Branch1] [C] [Ring1] [N] [C] [=C] [N] [=C] [C] [=C] [C] [=C] [C] [Ring1] [=Branch1] [=C] [Ring1] [#Branch2]
|
38
|
[C] [N] [C] [=Branch1] [C] [=O] [C] [=C] [Branch2] [Ring1] [Ring1] [N] [=C] [Branch1] [O] [O] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [N] [Ring1] [=N] [C] [N] [Branch1] [C] [C] [C] [Ring2] [Ring1] [Ring2] [=O]
|
98
|
[C] [N] [C] [Branch1] [Branch2] [C] [=C] [C] [=C] [O] [Ring1] [Branch1] [=N] [C] [=C] [Branch2] [Ring1] [O] [N] [C] [=Branch1] [C] [=O] [C] [C] [=C] [C] [=C] [Branch1] [O] [O] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [Ring1] [=C] [N] [=C] [N] [=C] [Ring2] [Ring1] [Branch2] [Ring2] [Ring1] [S]
|
167
|
[C] [N] [C] [=C] [Branch2] [Ring2] [C] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [Branch1] [=Branch2] [C] [Branch1] [C] [F] [Branch1] [C] [F] [F] [=N] [Ring1] [S] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [Ring2] [Ring1] [=C]
|
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