label
int64 0
220
| SELFIES
stringlengths 0
5.35k
|
|---|---|
6
|
[C] [C] [=C] [C] [=C] [Branch2] [Ring1] [S] [C] [=N] [N] [Branch1] [=Branch1] [C] [Branch1] [C] [N] [=S] [C] [Branch1] [#C] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [Ring1] [=Branch1] [=C] [Ring1] [#Branch2] [C] [Ring2] [Ring1] [C] [C] [=C] [Ring2] [Ring1] [Branch2]
|
95
|
[C] [N] [C] [C] [Branch1] [Ring2] [C] [Ring1] [Ring2] [C] [=Branch1] [C] [=N] [N] [C@] [Branch1] [C] [C] [Branch2] [Ring2] [Ring2] [C] [=C] [C] [Branch2] [Ring1] [#Branch1] [N] [C] [=Branch1] [C] [=O] [C] [=N] [C] [=C] [Branch1] [Ring1] [C] [#N] [C] [=C] [Ring1] [Branch2] [C] [C] [C] [Ring1] [Ring1] [=C] [C] [=C] [Ring2] [Ring1] [Ring2] [F] [C] [S] [Ring2] [Ring1] [=C] [=Branch1] [C] [=O] [=O]
|
59
|
[C] [N] [C] [=C] [Branch2] [Ring1] [N] [N] [C] [=N] [C] [=C] [Branch1] [C] [Cl] [C] [Branch1] [=C] [N] [C@@H1] [C] [C] [C] [C@@H1] [Ring1] [Branch1] [C] [Branch1] [C] [N] [=O] [=N] [Ring1] [S] [C] [=N] [Ring2] [Ring1] [=Branch1]
|
63
|
[C] [N] [C] [C] [C] [=C] [C] [=C] [Branch2] [Ring1] [Ring1] [C] [=C] [Ring1] [=Branch1] [C@H1] [Ring1] [#Branch2] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [Ring1] [#Branch2] [O] [C] [O] [Ring1] [#C]
|
137
|
[C] [C] [=C] [C] [=C] [C] [Branch2] [Ring1] [#Branch2] [N] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [C] [C] [=C] [C] [=C] [C] [Branch1] [#Branch1] [C] [=Branch1] [C] [=O] [N] [O] [=C] [Ring1] [#Branch2] [=C] [C] [=C] [Ring2] [Ring1] [Branch1] [N] [Branch1] [C] [C] [C] [Ring2] [Ring1] [#Branch2] [=O]
|
216
|
[N] [#C] [C] [N] [C] [=C] [Branch2] [Ring2] [Ring2] [C] [=C] [C] [C] [Branch2] [Ring1] [Ring1] [C] [=C] [C] [=C] [C] [Branch1] [=Branch2] [N] [C] [C] [N] [C] [C] [Ring1] [=Branch1] [=N] [Ring1] [N] [=N] [NH1] [C] [=Ring1] [P] [C] [=N] [Ring2] [Ring1] [Branch1] [C] [=N] [Ring2] [Ring1] [#Branch2]
|
149
|
[C] [N] [N] [=C] [C] [=C] [Ring1] [Branch1] [N] [C] [=C] [C] [=C] [C] [=Branch1] [Ring2] [=C] [Ring1] [=Branch1] [C] [=Branch1] [C] [=O] [C] [C] [Branch2] [Ring1] [=C] [C] [C] [N] [Branch2] [Ring1] [Ring1] [C] [=Branch1] [C] [=O] [N] [C@H1] [C] [C@@H1] [Ring1] [Ring1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [C] [Ring2] [Ring1] [C] [O] [Ring2] [Ring1] [=Branch2]
|
56
|
[O] [=S] [=Branch1] [C] [=O] [Branch2] [Ring1] [O] [N] [C@H1] [C] [C] [N] [Branch1] [P] [C] [C] [C] [C] [=N] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch2] [Ring1] [=Branch1] [C] [Ring1] [P] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [#Branch2] [Ring1] [=Branch1]
|
138
|
[C] [O] [C] [=C] [C] [=C] [C] [=Branch1] [Ring2] [=C] [Ring1] [=Branch1] [N] [C] [C] [N] [Branch1] [O] [C@H1] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [N] [O] [S] [Ring1] [=C] [=Branch1] [C] [=O] [=O]
|
4
|
[C] [C] [C] [C] [C@H1] [Branch3] [Ring1] [Branch2] [=C] [N] [C] [=Branch1] [C] [=O] [C@H1] [Branch1] [#Branch1] [C] [C] [Branch1] [C] [C] [C] [N] [C] [=Branch1] [C] [=O] [C@H1] [Branch1] [=Branch1] [C] [C] [C] [C] [N] [N] [C] [=Branch1] [C] [=O] [C@H1] [Branch1] [#Branch2] [C] [C] [C] [N] [=C] [Branch1] [C] [N] [N] [N] [C] [=Branch1] [C] [=O] [C@H1] [Branch1] [#Branch1] [C] [C] [Branch1] [C] [N] [=O] [N] [C] [=Branch1] [C] [=O] [C@@H1] [C] [C] [C] [C] [N] [C] [=Branch1] [C] [=O] [C] [C] [C@H1] [Branch2] [P] [=C] [N] [C] [=Branch1] [C] [=O] [C@H1] [Branch1] [Branch2] [C] [C] [C] [Branch1] [C] [N] [=O] [N] [C] [=Branch1] [C] [=O] [C@H1] [Branch1] [C] [C] [N] [C] [=Branch1] [C] [=O] [C@H1] [Branch1] [#Branch1] [C] [C] [Branch1] [C] [C] [C] [N] [C] [=Branch1] [C] [=O] [C@H1] [Branch1] [Branch2] [C] [C] [C] [Branch1] [C] [N] [=O] [N] [C] [=Branch1] [C] [=O] [C@H1] [Branch1] [Branch2] [C] [C] [C] [=Branch1] [C] [=O] [O] [N] [C] [=Branch1] [C] [=O] [C@H1] [Branch1] [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] [Branch1] [C] [C] [C] [C] [N] [C] [=Branch1] [C] [=O] [C@H1] [Branch1] [=Branch2] [C] [C] [C] [C] [=Branch1] [C] [=O] [O] [N] [C] [=Branch1] [C] [=O] [C@H1] [Branch1] [#Branch1] [C] [C] [Branch1] [C] [C] [C] [N] [C] [=Branch1] [C] [=O] [C@@H1] [Branch2] [#Branch1] [#C] [N] [C] [=Branch1] [C] [=O] [C@H1] [Branch1] [Branch2] [C] [C] [C] [Branch1] [C] [C] [=O] [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] [#Branch1] [C] [C] [Branch1] [C] [C] [C] [N] [C] [=Branch1] [C] [=O] [C@H1] [Branch1] [#Branch1] [C] [C] [Branch1] [C] [C] [C] [N] [C] [=Branch1] [C] [=O] [C@H1] [Branch1] [=Branch2] [C] [C] [=C] [NH1] [C] [=N] [Ring1] [Branch1] [N] [C] [=Branch1] [C] [=O] [C@H1] [Branch1] [C] [N] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [Branch1] [C] [C] [C] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [=Branch2] [C] [C] [=C] [NH1] [C] [=N] [Ring1] [Branch1] [C] [=Branch1] [C] [=O] [N] [Ring2] [=N] [Branch1] [C] [=Branch1] [C] [=O] [C] [N] [C@@H1] [Branch1] [Branch2] [C] [C] [C] [=Branch1] [C] [=O] [O] [C] [=Branch1] [C] [=O] [N] [C@H1] [Branch2] [Ring1] [Ring2] [C] [=Branch1] [C] [=O] [N] [C@H1] [Branch1] [=Branch1] [C] [Branch1] [C] [N] [=O] [C@@H1] [Branch1] [C] [C] [C] [C] [C@@H1] [Branch1] [C] [C] [C] [C]
|
40
|
[C] [C] [=C] [C] [=C] [Branch2] [Ring1] [Branch1] [C] [=N] [O] [C] [Branch1] [N] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [#Branch1] [=N] [Ring1] [N] [C] [=C] [Ring2] [Ring1] [C]
|
159
|
[C] [O] [C] [=C] [C] [=C] [Branch2] [Ring2] [=C] [N] [N] [=C] [Branch2] [Ring1] [=C] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [Branch1] [#C] [O] [C] [=C] [C] [=N] [C] [NH1] [C] [=C] [C] [Ring1] [=Branch2] [=Ring1] [Branch1] [C] [=C] [Ring1] [S] [C] [Branch1] [C] [C] [=C] [C] [Ring2] [Ring1] [#Branch2] [=O] [C] [=C] [Ring2] [Ring1] [P]
|
26
|
[C] [O] [C] [=C] [C] [Branch2] [Ring1] [#Branch1] [C] [=Branch1] [C] [=O] [N] [C@@H1] [C] [C] [C] [Branch1] [=Branch2] [C] [C] [C] [O] [C] [C] [Ring1] [=Branch1] [C] [Ring1] [O] [=C] [C] [=C] [Ring2] [Ring1] [Ring2] [N] [C] [=N] [C] [=C] [C] [=Branch1] [Ring2] [=N] [Ring1] [=Branch1] [C] [C] [=Branch2] [Ring1] [C] [=N] [N] [Branch1] [C] [C] [C] [=Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [Cl] [C] [C] [Ring2] [Ring1] [C] [C]
|
185
|
[C] [C] [Branch1] [C] [C] [O] [C] [=C] [C] [=C] [Branch2] [Ring2] [Ring1] [C] [=N] [C] [Branch2] [Ring1] [Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [N] [Branch1] [=Branch2] [C] [C] [C] [C] [=Branch1] [C] [=O] [O] [C] [Ring1] [O] [=N] [O] [Ring2] [Ring1] [Ring2] [C] [=C] [Ring2] [Ring1] [#Branch2] [Cl]
|
49
|
[N] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [Branch2] [Ring1] [O] [N] [C] [=N] [C] [Branch1] [O] [O] [C] [C] [C] [C] [C] [C] [C] [Ring1] [=Branch1] [=C] [N] [=N] [NH1] [C] [Ring1] [Branch1] [=N] [Ring1] [P] [C] [=C] [Ring2] [Ring1] [Branch2]
|
38
|
[C] [C] [S] [C] [Branch1] [N] [N] [/N] [=C] [/C] [=C] [C] [=N] [C] [=C] [Ring1] [=Branch1] [=N] [C] [=Ring1] [=C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1]
|
60
|
[C] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [N] [C] [C] [N] [Branch2] [Ring1] [Branch2] [C] [C] [C] [C] [O] [C] [C] [=C] [N] [N] [=C] [Branch1] [Ring2] [/C] [=N] [/O] [C] [=C] [Ring1] [Branch2] [C] [=Ring1] [N] [C] [C] [Ring2] [Ring1] [#Branch1]
|
105
|
[C] [C] [N] [C] [Branch1] [=Branch2] [C] [=N] [O] [N] [=C] [Ring1] [Branch1] [N] [=N] [C] [=C] [Branch1] [O] [C] [#C] [C] [Branch1] [C] [C] [Branch1] [C] [C] [O] [N] [=C] [Branch1] [Branch2] [O] [C] [C@H1] [Branch1] [C] [C] [N] [C] [=C] [Ring1] [P] [Ring2] [Ring1] [#Branch2]
|
97
|
[C] [O] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [Branch2] [Ring1] [O] [C] [N] [N] [=N] [C] [=C] [Branch1] [Branch2] [C] [=C] [C] [=C] [O] [Ring1] [Branch1] [N] [=C] [Branch1] [C] [N] [N] [=C] [Ring1] [N] [Ring1] [#C] [=C] [Ring2] [Ring1] [=Branch1]
|
97
|
[N] [C] [=N] [C] [Branch2] [Ring1] [C] [C] [=Branch1] [C] [=O] [N] [C] [C] [=C] [C] [=C] [C] [Branch1] [C] [F] [=C] [Ring1] [#Branch1] [=C] [C] [Branch1] [Branch2] [C] [=C] [C] [=C] [O] [Ring1] [Branch1] [=N] [Ring2] [Ring1] [=Branch1]
|
44
|
[C] [C] [=C] [C] [=C] [Branch2] [Ring1] [=Branch2] [N] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [Branch1] [C] [C] [Branch1] [C] [C] [C] [Ring1] [=N] [=O] [C] [=C] [Ring2] [Ring1] [Ring2]
|
164
|
[C] [N] [Branch1] [C] [C] [C] [=C] [C] [=C] [C] [Branch2] [Ring2] [Ring2] [C] [=C] [C] [=C] [C] [Branch2] [Ring1] [Branch2] [C] [N] [C] [=N] [C] [Branch1] [Ring1] [C] [#N] [=N] [C] [=C] [Ring1] [Branch2] [N] [=C] [N] [Ring1] [Branch1] [C] [C] [C] [O] [=C] [Ring2] [Ring1] [#Branch1] [=C] [Ring2] [Ring1] [=N]
|
9
|
[C] [C] [N] [Branch1] [Ring1] [C] [C] [C] [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]
|
29
|
[C] [C] [C] [C] [C] [C] [C] [C] [C] [N] [C] [=Branch1] [C] [=O] [C] [C] [C] [Branch1] [Ring1] [C] [C] [Branch1] [=Branch2] [C] [=C] [C] [=N] [C] [=C] [Ring1] [=Branch1] [C] [Ring1] [#C] [=O]
|
61
|
[C] [N] [Branch2] [Ring1] [O] [C] [C] [O] [C] [C] [N] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [Branch1] [=Branch1] [N+1] [=Branch1] [C] [=O] [O-1] [C] [=C] [Ring1] [=Branch2] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1]
|
76
|
[O] [=C] [Branch1] [C] [O] [C] [N] [C] [=N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [N] [Branch2] [Ring1] [=Branch2] [C@H1] [C] [C@H1] [C] [C] [C@@H1] [Branch1] [Ring2] [C] [Ring1] [#Branch1] [N] [Ring1] [=Branch1] [C] [C] [C] [C] [C] [C] [C] [C] [Ring1] [Branch2] [C] [Ring2] [Ring1] [#Branch2] [=O]
|
155
|
[O] [=S] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [Branch2] [Ring1] [=N] [N] [C] [=C] [Branch2] [Ring1] [Ring1] [C] [=C] [C] [=C] [Branch1] [=Branch2] [C] [Branch1] [C] [F] [Branch1] [C] [F] [F] [C] [=C] [Ring1] [#Branch2] [N] [=N] [Ring1] [#C] [=C] [C] [=C] [Ring2] [Ring1] [Branch1] [O] [Ring2] [Ring1] [#Branch2]
|
207
|
[C] [N] [Branch1] [C] [C] [C] [C] [C@H1] [Branch1] [O] [C] [S] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [N] [C] [=C] [C] [=C] [Branch2] [Branch1] [Ring1] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [N] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [Branch2] [Ring1] [O] [N] [C] [C] [C] [Branch1] [Branch1] [C] [C] [Ring1] [=Branch1] [C] [C] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [=N] [O] [Ring1] [=N] [C] [=C] [Ring2] [Ring1] [=Branch1] [C] [=C] [Ring2] [Ring2] [C] [N+1] [=Branch1] [C] [=O] [O-1]
|
71
|
[C] [C] [=N] [C] [=C] [Branch2] [Branch1] [#Branch2] [C] [=C] [C] [=C] [NH1] [N] [=C] [Branch2] [Ring2] [Branch2] [C] [=N] [C] [=C] [Branch2] [Ring1] [=Branch1] [C] [=C] [C] [Branch1] [C] [F] [=C] [C] [Branch1] [=Branch2] [N] [C] [C] [N] [Branch1] [C] [C] [C] [=C] [Ring1] [=N] [C] [=C] [N] [=C] [Ring2] [Ring1] [Ring1] [NH1] [Ring2] [Ring1] [=Branch1] [C] [Ring2] [Ring1] [O] [=N] [Ring2] [Ring1] [#C] [N] [Ring2] [Ring2] [Ring2] [C]
|
138
|
[C] [O] [C] [=C] [C] [=C] [Branch2] [Ring2] [C] [N] [C] [=C] [C] [Branch1] [Branch2] [C] [=C] [C] [=C] [S] [Ring1] [Branch1] [=C] [C] [=C] [Ring1] [O] [C] [=Branch1] [C] [=O] [NH1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [Ring1] [O] [C] [=C] [Ring2] [Ring1] [O]
|
163
|
[N] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [#Branch1] [C] [=Branch1] [C] [=O] [N] [C] [=N] [C] [=C] [S] [Ring1] [Branch1]
|
61
|
[C] [C] [C] [N] [C] [=N] [C] [=C] [Ring1] [Branch1] [C] [=Branch1] [C] [=O] [N] [Branch1] [#Branch2] [C] [C] [C] [C] [C] [Branch1] [C] [C] [=O] [C] [=Branch1] [C] [=O] [N] [Ring1] [#C] [C]
|
174
|
[C] [O] [C] [=Branch1] [C] [=O] [C@@H1] [Branch2] [Ring1] [P] [N] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [NH1] [N] [=C] [Branch1] [N] [C] [=C] [C] [=N] [C] [Branch1] [C] [C] [=C] [Ring1] [#Branch1] [C] [=Ring1] [N] [C] [=N] [Ring1] [S] [C] [Branch1] [C] [C] [C]
|
70
|
[C] [C] [=C] [C] [=C] [Branch2] [Branch1] [#Branch1] [N] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [Branch2] [Ring1] [P] [C] [=Branch1] [C] [=O] [N] [C] [C] [C] [N] [C] [C] [N] [Branch1] [#C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [O] [C] [Branch1] [C] [C] [C] [C] [C] [Ring1] [S] [C] [=C] [Ring2] [Ring1] [N] [C] [Ring2] [Ring1] [S] [=O] [C] [=C] [Ring2] [Ring2] [#Branch1]
|
77
|
[N] [C] [=Branch1] [C] [=O] [C] [C] [C] [N] [Branch2] [Ring1] [=Branch1] [C] [=C] [Branch1] [C] [Cl] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [Ring1] [N] [=O] [C] [C] [Ring2] [Ring1] [Ring1]
|
151
|
[C] [O] [C] [=C] [C] [=C] [Branch2] [Ring2] [Branch1] [C@H1] [C] [N] [Branch1] [O] [C] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [C@@H1] [Ring1] [=N] [C] [N] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [Ring1] [#Branch1] [C] [=C] [Ring2] [Ring1] [=C]
|
77
|
[C] [C] [C] [C] [N] [C] [=Branch1] [C] [=O] [C] [=Branch1] [C] [=O] [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] [Branch1] [C] [F] [Branch1] [C] [F] [F] [=C] [C] [=C] [Ring2] [Ring1] [Branch1] [Ring2] [Ring1] [#Branch2]
|
205
|
[C] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [S] [C] [C] [=C] [C] [Branch1] [C] [F] [=C] [C] [Branch1] [C] [F] [=C] [Ring1] [Branch2] [C@H1] [Branch1] [C] [O] [C] [N] [C@@] [Branch2] [Ring1] [Ring1] [C] [=C] [C] [=C] [C] [Branch1] [=Branch2] [C] [Branch1] [C] [C] [Branch1] [C] [C] [C] [=C] [Ring1] [#Branch2] [C] [C] [C@H1] [Branch1] [Ring1] [C] [#N] [N] [C] [Ring2] [Ring1] [C]
|
124
|
[C] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [N] [C] [C] [C] [=C] [Branch2] [Branch1] [=Branch2] [C] [Branch1] [N] [C] [=C] [C] [=C] [Branch1] [C] [Br] [C] [=C] [Ring1] [#Branch1] [=N] [N] [Ring1] [N] [C] [C] [Branch1] [C] [O] [C] [N] [C] [C] [C] [Branch2] [Ring1] [Branch1] [N] [C] [=Branch1] [C] [=O] [C] [C] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [C] [=C] [Ring1] [#Branch1] [Ring1] [N] [C] [C] [Ring2] [Ring1] [C] [C] [Ring2] [Ring2] [=Branch1]
|
199
|
[N] [C] [=Branch1] [C] [=O] [C] [=C] [N] [=C] [Branch1] [#Branch2] [S] [C] [C] [C] [C] [N] [C] [Ring1] [=Branch1] [C] [C] [=C] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [S] [C] [Ring2] [Ring1] [=Branch1] [=Ring1] [O]
|
138
|
[O] [=C] [Branch2] [Ring2] [N] [N] [C] [C] [C] [C] [C@H1] [Branch2] [Ring1] [=C] [N] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [Branch1] [N] [C] [=C] [C] [=C] [Branch1] [C] [Br] [C] [=C] [Ring1] [#Branch1] [C] [=C] [Ring1] [=N] [C] [=Branch1] [C] [=O] [O] [O] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1]
|
168
|
[N] [C] [=C] [Branch2] [Ring1] [C] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [O] [Ring1] [=Branch2] [C] [=N] [N] [Ring1] [S] [C] [=C] [C] [Branch1] [C] [O] [=C] [C] [=C] [Ring1] [#Branch1] [Cl]
|
56
|
[C] [N] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [Branch2] [Ring2] [Ring2] [O] [C] [C] [C] [C] [N] [C] [C] [N] [Branch2] [Ring1] [Ring2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [O] [C] [Branch1] [C] [F] [Branch1] [C] [F] [O] [Ring1] [#Branch1] [C] [C] [Ring1] [P] [=C] [Ring2] [Ring1] [N]
|
145
|
[C] [O] [C] [=C] [C] [=C] [Branch2] [Ring2] [=Branch1] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [C] [Branch1] [#Branch1] [C] [=Branch1] [C] [=O] [N] [O] [C] [C] [N] [Branch1] [N] [C] [C] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [C] [Ring2] [Ring1] [Ring1] [C] [=C] [Ring2] [Ring1] [N]
|
184
|
[O] [=C] [Branch2] [Ring1] [N] [C] [C] [C] [N] [C] [C] [C] [Branch1] [C] [O] [Branch1] [N] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [#Branch1] [C] [C] [Ring1] [=C] [C] [=C] [C] [=C] [Branch1] [C] [F] [C] [=C] [Ring1] [#Branch1]
|
212
|
[C] [C] [O] [C] [=C] [C] [Branch2] [Ring1] [#C] [C] [=N] [C] [Branch1] [#C] [C] [=C] [C] [Branch1] [C] [C] [=N] [C] [Branch1] [C] [C] [=C] [Ring1] [Branch2] [=C] [N] [Ring1] [=N] [C] [C] [O] [C] [C] [Ring1] [#Branch1] [=C] [C] [=C] [Ring2] [Ring1] [Branch2] [C] [C]
|
16
|
[C] [C] [C@H1] [Branch1] [C] [C] [C@@H1] [N] [C] [=Branch1] [C] [=O] [C@H1] [Branch1] [=Branch2] [C] [C] [C] [C] [C] [C] [Ring1] [Branch1] [N] [C] [=Branch1] [C] [=O] [C@@H1] [Branch1] [C] [N] [C] [S] [S] [C] [C@@H1] [Branch2] [Ring2] [C] [C] [=Branch1] [C] [=O] [N] [C] [C] [C] [C@H1] [Ring1] [Branch1] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [Ring2] [C] [C] [N] [C] [=Branch1] [C] [=O] [N] [C] [C] [Branch1] [C] [N] [=O] [N] [C] [=Branch1] [C] [=O] [C@H1] [Branch1] [#Branch1] [C] [C] [Branch1] [C] [N] [=O] [N] [C] [=Branch1] [C] [=O] [C@H1] [Branch1] [#Branch1] [C] [C] [Branch1] [C] [N] [=O] [N] [C] [Ring2] [Branch1] [N] [=O]
|
88
|
[C] [O] [C@] [Branch2] [Ring1] [#C] [C] [#C] [C] [Branch1] [C] [O] [Branch1] [N] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [#Branch1] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [#Branch1] [C] [N] [C] [C] [C] [Ring2] [Ring1] [Branch2] [C] [C] [Ring1] [=Branch1]
|
101
|
[C] [C] [=Branch1] [C] [=O] [N] [C@H1] [Branch1] [#Branch2] [C] [C] [C] [N] [C] [=Branch1] [C] [=N] [N] [C] [=Branch1] [C] [=O] [N] [C@@H1] [C] [/C] [Branch1] [C] [O] [=N] [\C] [C] [C] [C] [C@H1] [Branch1] [=Branch1] [C] [Branch1] [C] [N] [=O] [/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] [=Branch1] [C] [=N] [N] [/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] [C] [C@H1] [Branch1] [C] [N] [C] [N] [Ring1] [=Branch1] [C] [Ring2] [Branch1] [O] [=O]
|
193
|
[N] [C] [=N] [C] [=C] [C] [Branch2] [Ring2] [Ring2] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [Branch1] [=C] [C] [=C] [N] [=C] [NH1] [C] [=C] [C] [Ring1] [Branch1] [=C] [Ring1] [=Branch2] [C] [Branch1] [C] [F] [=C] [Ring1] [S] [=N] [Ring2] [Ring1] [=N]
|
196
|
[O] [=C] [Branch1] [Ring1] [N] [O] [C] [Branch2] [Ring2] [C] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [Branch1] [P] [O] [C] [=C] [C] [=C] [C] [=Branch1] [Ring2] [=C] [Ring1] [=Branch1] [O] [C] [O] [Ring1] [=Branch1] [C] [=C] [Ring1] [S] [C] [C] [N] [C] [C] [Ring2] [Ring1] [=Branch2]
|
13
|
[O] [=C] [Branch2] [Ring1] [#C] [/C] [=C] [/C] [=C] [N] [=C] [Branch2] [Ring1] [Ring1] [C] [=C] [C] [=C] [Branch1] [=Branch2] [N] [C] [C] [O] [C] [C] [Ring1] [=Branch1] [C] [=C] [Ring1] [N] [S] [Ring1] [P] [N] [O]
|
112
|
[C] [=C] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [Branch1] [Ring1] [S] [C] [=C] [C] [=C] [Ring1] [Branch2] [N] [C] [=N] [C] [=C] [C] [=C] [Branch2] [Ring1] [Branch1] [C] [=C] [Branch1] [C] [Cl] [C] [Branch1] [Ring1] [O] [C] [=C] [C] [Branch1] [Ring1] [O] [C] [=C] [Ring1] [O] [Cl] [C] [=C] [C] [Ring2] [Ring1] [C] [=N] [Ring2] [Ring1] [=Branch1]
|
95
|
[C] [C] [Branch1] [C] [C] [C] [=Branch1] [C] [=N] [N] [C@@] [Branch2] [Ring1] [N] [C] [=C] [C] [Branch1] [P] [N] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [Branch1] [C] [F] [C] [=N] [Ring1] [#Branch1] [=C] [C] [=C] [Ring1] [S] [F] [C] [O] [C] [C@H1] [Ring2] [Ring1] [=Branch1] [S] [Ring2] [Ring1] [N] [=Branch1] [C] [=O] [=O]
|
198
|
[O] [=S] [=Branch1] [C] [=O] [Branch2] [Branch1] [Branch1] [N] [C] [=N] [C] [=N] [C] [=C] [C] [Branch2] [Ring1] [P] [N] [C] [C] [N] [Branch2] [Ring1] [Branch1] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [#Branch1] [C] [C] [Ring2] [Ring1] [Ring2] [=C] [C] [=C] [Ring2] [Ring1] [=C] [Ring2] [Ring1] [#Branch2] [C] [=C] [C] [=C] [Branch2] [Ring1] [=Branch2] [N] [C@H1] [Branch1] [O] [C] [C] [N] [C] [C] [O] [C] [C] [Ring1] [=Branch1] [C] [S] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [Branch1] [S] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [C] [Branch1] [C] [F] [Branch1] [C] [F] [F] [=C] [Ring2] [Ring1] [#C]
|
75
|
[C] [O] [C] [=C] [C] [=C] [Branch2] [Ring2] [=Branch1] [C] [N] [C] [C] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [N] [Branch2] [Ring1] [Ring1] [C] [=C] [C] [=C] [Branch1] [=Branch2] [S] [Branch1] [C] [N] [=Branch1] [C] [=O] [=O] [C] [=C] [Ring1] [#Branch2] [C] [Ring2] [Ring1] [C] [C] [=C] [Ring2] [Ring1] [=Branch2]
|
200
|
[C] [C] [=C] [Branch2] [Ring1] [=Branch1] [C] [=C] [Branch1] [C] [C] [C] [Branch1] [C] [O] [=C] [C] [=C] [C] [=C] [C] [Ring1] [=Branch1] [=C] [Ring1] [N] [O] [O] [C] [=C] [Ring2] [Ring1] [C] [C] [=Branch1] [C] [=O] [C] [=Branch1] [C] [=O] [C] [=C] [Ring1] [Branch2] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [C] [C] [C] [Ring1] [=Branch1] [Branch1] [C] [C] [C]
|
94
|
[C] [C] [C] [C] [=N] [C] [=C] [Branch2] [Ring2] [#C] [N] [Ring1] [Branch1] [C] [C] [=C] [C] [=C] [Branch2] [Ring1] [N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [N] [C] [O] [N] [=C] [Branch1] [C] [C] [C] [=Ring1] [=Branch1] [C] [C] [Branch1] [C] [F] [=C] [Ring2] [Ring1] [Branch2] [C] [=Branch1] [C] [=O] [C] [C] [C] [C] [Ring2] [Ring2] [C]
|
88
|
[C] [C] [O] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [Branch2] [Ring2] [P] [N] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [=N] [C] [C] [=C] [C] [=C] [Branch1] [C] [O] [C] [=C] [Ring1] [#Branch1] [C] [=Branch1] [C] [=O] [N] [C] [C] [C] [N] [Branch1] [=C] [C] [C] [=C] [C] [=C] [C] [Branch1] [Ring1] [O] [C] [=C] [Ring1] [Branch2] [C] [Ring1] [=C] [C] [=C] [Ring2] [Ring2] [Ring2]
|
179
|
[C] [C] [=C] [C] [=N] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [C] [Branch2] [Ring2] [#Branch2] [C] [=N] [C] [=C] [Branch2] [Ring1] [Branch2] [C] [=C] [C] [Branch1] [C] [F] [=C] [C] [Branch1] [O] [C] [N] [S] [Branch1] [C] [C] [=Branch1] [C] [=O] [=O] [=C] [Ring1] [=N] [C] [=N] [C] [=C] [Ring2] [Ring1] [Ring1] [NH1] [Ring2] [Ring1] [=Branch1] [=N] [NH1] [C] [=Ring2] [Ring1] [O] [C] [=N] [Ring2] [Ring1] [#C]
|
53
|
[C] [=C] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [C] [Branch2] [Ring2] [=Branch1] [N] [C] [=N] [C] [Branch2] [Ring1] [C] [N] [C] [=C] [C] [=C] [C] [=Branch1] [Ring2] [=C] [Ring1] [=Branch1] [C] [O] [B] [Ring1] [=Branch1] [O] [=N] [C] [=C] [Ring1] [P] [C] [Branch1] [C] [F] [Branch1] [C] [F] [F] [=C] [Ring2] [Ring1] [N]
|
25
|
[C] [C] [Branch1] [C] [C] [C] [C] [S] [C] [=C] [C] [=C] [C] [=Branch1] [Ring2] [=C] [Ring1] [=Branch1] [C] [=Branch1] [C] [=O] [N] [C] [Ring1] [#Branch1] [=O]
|
75
|
[N] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [Branch2] [Ring1] [P] [C] [=Branch1] [C] [=O] [N] [C] [C] [N] [Branch2] [Ring1] [C] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [O] [Ring1] [=Branch2] [C] [C] [Ring1] [P] [C] [=C] [Ring2] [Ring1] [=Branch2]
|
126
|
[C] [=C] [C] [Branch2] [Ring1] [#Branch2] [C] [N] [C] [C] [C] [C] [Branch1] [#C] [N] [C] [=C] [C] [=C] [NH1] [N] [=C] [C] [Ring1] [Branch1] [=C] [Ring1] [=Branch2] [C] [Ring1] [S] [=C] [C] [Branch1] [=Branch1] [C] [C] [C] [Ring1] [Ring1] [=C] [Ring2] [Ring1] [#Branch2]
|
88
|
[O] [=C] [Branch2] [Ring1] [P] [N] [C] [=C] [C] [=C] [C] [Branch2] [Ring1] [Ring2] [C] [=C] [C] [=C] [C] [Branch1] [#Branch2] [C] [N] [C] [C] [N] [C] [C] [Ring1] [=Branch1] [=C] [Ring1] [=N] [=C] [Ring2] [Ring1] [Ring1] [C] [=C] [C] [=C] [C] [=Branch1] [Ring2] [=C] [Ring1] [=Branch1] [O] [C] [O] [Ring1] [=Branch1]
|
209
|
[C] [C@] [Branch1] [#Branch1] [C] [C] [=Branch1] [C] [=O] [O] [C] [C@H1] [Branch1] [N] [C] [=C] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [Ring1] [#Branch1] [C@@H1] [Branch1] [N] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [#Branch1] [N] [Branch2] [Ring1] [Branch2] [C@H1] [Branch1] [S] [C] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [N] [C] [C] [C] [C] [Ring1] [Branch1] [C] [C] [C] [Ring1] [Ring1] [C] [Ring2] [Ring2] [Branch1] [=O]
|
47
|
[O] [=S] [=Branch1] [C] [=O] [Branch1] [O] [C] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [N] [C] [=C] [C] [=C] [Branch1] [P] [C] [C] [N] [C] [C@H1] [Branch1] [C] [O] [C] [=C] [C] [=C] [N] [=C] [Ring1] [=Branch1] [C] [=C] [Ring2] [Ring1] [C]
|
179
|
[C] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [N] [C] [C] [=C] [C] [Branch1] [C] [F] [=C] [C] [Branch2] [Branch1] [=Branch2] [C] [=N] [C] [=C] [C] [NH1] [C] [Branch2] [Ring2] [#Branch1] [C] [=N] [NH1] [C] [=C] [N] [=C] [Branch2] [Ring1] [Branch1] [C] [=C] [N] [=C] [C] [Branch1] [O] [C] [N] [C] [C] [C] [C] [C] [C] [Ring1] [Branch1] [=C] [Ring1] [=C] [C] [=C] [Ring2] [Ring1] [#Branch1] [Ring2] [Ring1] [Ring2] [=C] [C] [Ring2] [Ring1] [S] [=Ring2] [Ring1] [N] [=C] [Ring2] [Ring2] [#Branch1]
|
59
|
[C] [O] [C] [=C] [C] [Branch2] [Ring1] [O] [N] [C] [=N] [C] [Branch1] [C] [C] [=C] [N] [C] [Branch1] [Branch2] [C] [C] [=N] [NH1] [C] [=Ring1] [Branch1] [=C] [N] [=C] [Ring1] [#C] [Ring1] [#Branch2] [=C] [C] [=C] [Ring2] [Ring1] [=Branch1] [C] [=Branch1] [C] [=O] [N] [C] [C] [N] [C] [C] [Ring1] [=Branch1]
|
55
|
[C] [N] [C] [C] [C] [C] [C] [C] [C] [Branch1] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [Ring1] [#Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [Ring1] [S]
|
162
|
[C] [N] [C] [=C] [Branch2] [Ring1] [#C] [N] [C] [=Branch1] [C] [=O] [C] [C] [=N] [N] [C] [=C] [C] [Branch1] [O] [N] [C@@H1] [C] [C] [C] [C] [C@@H1] [Ring1] [=Branch1] [N] [=N] [C] [=Ring1] [P] [Ring1] [=C] [C] [Branch1] [=Branch2] [C] [=C] [N] [=C] [N] [=C] [Ring1] [=Branch1] [=N] [Ring2] [Ring1] [#C]
|
106
|
[C] [C] [C] [C] [Branch1] [C] [C] [C] [N] [Branch2] [Ring1] [P] [C] [C] [=C] [C] [=C] [Branch2] [Ring1] [Ring2] [C] [=C] [C] [=C] [Branch1] [#Branch2] [C] [N] [C] [C] [C] [C] [C] [Ring1] [=Branch1] [C] [=C] [Ring1] [=N] [C] [=C] [Ring2] [Ring1] [Ring1] [C] [Ring2] [Ring1] [O]
|
220
|
[C] [C] [C] [=Branch2] [Branch1] [=C] [=C] [Branch2] [Ring1] [Ring1] [C] [=C] [C] [=C] [Branch1] [=Branch2] [O] [C] [C] [N] [Branch1] [C] [C] [C] [C] [=C] [Ring1] [N] [C] [=C] [C] [=C] [Branch2] [Ring1] [N] [C] [=Branch1] [C] [=O] [N] [Branch1] [C] [C] [C] [C] [N] [Branch1] [C] [C] [C@H1] [C] [C@@H1] [Ring1] [Ring1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [Ring2] [Ring1] [#Branch1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1]
|
29
|
[C] [O] [C@@H1] [C] [C@@H1] [C@H1] [Branch2] [Ring1] [C] [C] [C] [C@] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [C] [C] [C@@H1] [Ring1] [O] [Ring1] [#Branch1] [C@@] [Branch1] [C] [C] [C] [C] [C] [C] [=C] [Ring2] [Ring1] [Ring2] [Ring1] [#Branch1]
|
131
|
[C] [N] [Branch1] [C] [C] [C] [C] [=Branch1] [C] [=O] [N] [C] [=N] [NH1] [C] [=C] [C] [=C] [Branch2] [Ring1] [Ring1] [C] [=C] [N] [Branch1] [#Branch2] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [N] [=N] [Ring1] [N] [C] [=C] [Ring2] [Ring1] [Branch1] [Ring2] [Ring1] [C]
|
149
|
[N] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [Branch2] [Ring1] [Ring2] [C] [N] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [N] [=C] [C] [=C] [Ring1] [=Branch1] [NH1] [Ring1] [=Branch2] [C] [=C] [Ring2] [Ring1] [Ring1]
|
170
|
[C] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [C] [Branch2] [Ring2] [#Branch1] [C] [=N] [NH1] [C] [=C] [C] [Branch1] [O] [C] [C] [=N] [N] [Branch1] [C] [C] [C] [=Ring1] [=Branch1] [=C] [Branch1] [#Branch2] [N] [C] [C] [C] [C] [C] [C] [Ring1] [=Branch1] [C] [=C] [Ring2] [Ring1] [=Branch1] [Ring2] [Ring1] [Ring1] [=C] [Ring2] [Ring1] [N]
|
7
|
[C] [O] [C] [=C] [C] [=C] [Branch2] [Ring1] [S] [C] [N] [C] [=N] [N] [=C] [Branch1] [=Branch2] [N] [C] [C] [=C] [C] [C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [Branch1] [Ring1] [C] [#N] [C] [=C] [Ring2] [Ring1] [C] [Ring1] [Branch2] [C] [=C] [Ring2] [Ring1] [#Branch2] [Cl] .[Cl]
|
99
|
[N] [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]
|
164
|
[N] [#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] [=C] [N] [=C] [C] [Branch1] [C] [Br] [=C] [Ring1] [#Branch1]
|
193
|
[N] [C] [=C] [N] [=C] [Branch2] [Ring2] [Branch1] [C] [=C] [C] [=C] [Branch1] [#Branch1] [C] [C] [C] [C] [Ring1] [Ring2] [C] [Branch1] [P] [O] [C] [C] [=C] [C] [=C] [Branch1] [=Branch1] [C] [=Branch1] [C] [=O] [O] [O] [Ring1] [Branch2] [=C] [Ring2] [Ring1] [Ring2] [F] [C] [=N] [Ring2] [Ring1] [O]
|
36
|
[C] [O] [C] [=C] [C] [=N] [C] [=C] [C] [Branch2] [Ring1] [=Branch2] [O] [C] [=C] [C] [=C] [Branch1] [=C] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [C] [=N] [Ring1] [=Branch1] [C] [=C] [Ring1] [#C] [=C] [Ring2] [Ring1] [=Branch1] [C] [=C] [Ring2] [Ring1] [#Branch2] [N] [C] [=Branch1] [C] [=O] [C] [#C] [C] [C] [N] [C] [C] [O] [C] [C] [Ring1] [=Branch1]
|
183
|
[C] [C] [O] [N] [=C] [Branch1] [=N] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [C] [=C] [Ring1] [#Branch1] [Cl] [C] [=Ring1] [=N] [N] [C] [=Branch1] [C] [=O] [N] [C] [C] [=C] [C] [=C] [Branch1] [Branch2] [N] [C] [=C] [C] [=N] [Ring1] [Branch1] [C] [=C] [Ring1] [O]
|
204
|
[C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [C] [=N] [C@H1] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C@H1] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [N] [Ring1] [P]
|
0
|
[C] [N] [C] [=N] [C] [Branch2] [Ring1] [#Branch2] [N] [C] [=C] [C] [Branch1] [Ring1] [O] [C] [=C] [Branch1] [#Branch2] [C] [=Branch1] [C] [=O] [N] [Branch1] [C] [C] [C] [C] [=C] [Ring1] [=N] [Cl] [=N] [C] [=C] [Ring2] [Ring1] [Branch1] [C] [Branch1] [C] [F] [Branch1] [C] [F] [F]
|
210
|
[C] [C] [N] [Branch2] [Ring1] [#C] [C] [C] [=C] [C] [Branch1] [C] [F] [=C] [C] [=C] [Ring1] [#Branch1] [C] [=C] [C] [Branch1] [#Branch1] [C] [C] [=Branch1] [C] [=O] [O] [=C] [C] [=C] [Ring1] [#Branch2] [O] [C] [C] [=Branch1] [C] [=O] [O] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1]
|
73
|
[C] [C] [=C] [C] [=C] [C] [=Branch1] [Ring2] [=C] [Ring1] [=Branch1] [C] [=C] [Branch1] [=C] [N] [Ring1] [=Branch1] [C] [C] [C] [=C] [N] [=C] [C] [=N] [Ring1] [=Branch1] [C] [C] [N] [Branch1] [C] [C] [C] [Ring1] [S]
|
6
|
[O] [=C] [C] [S] [C] [Branch1] [S] [N] [/N] [=C] [/C] [=C] [C] [Branch1] [C] [Br] [=C] [C] [=C] [Ring1] [#Branch1] [O] [=N] [Ring1] [S]
|
47
|
[O] [C] [Branch2] [Ring1] [=N] [C] [N] [C] [C] [C] [=C] [C] [=C] [Branch1] [#C] [N] [C] [C] [Branch1] [C] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [Ring1] [S] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1]
|
43
|
[C] [C] [=C] [C] [=C] [C] [=C] [Branch1] [C] [O] [C] [=C] [Ring1] [#Branch1] [C] [C@@] [Ring1] [#Branch2] [C] [C] [C] [C@H1] [Branch1] [Ring2] [C] [Ring1] [=Branch1] [C] [Ring1] [P] [=O]
|
25
|
[C] [N] [C] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [=C] [Branch1] [C] [Cl] [C] [=C] [C] [Branch1] [Ring1] [C] [#N] [=C] [Branch1] [Ring1] [C] [#N] [C] [=C] [Ring1] [#Branch2] [Ring2] [Ring1] [Ring2]
|
18
|
[C] [O] [C] [=C] [C] [=C] [Branch2] [Ring1] [S] [C] [=C] [C] [=C] [N] [=C] [C] [=C] [Branch1] [#C] [N] [C] [=C] [C] [=C] [C] [NH1] [N] [=C] [C] [Ring1] [=Branch2] [=Ring1] [Branch1] [C] [Ring1] [S] [=C] [Ring2] [Ring1] [Ring2] [C] [=C] [Ring2] [Ring1] [#Branch2] [O] [C]
|
56
|
[C] [C] [=Branch1] [C] [=O] [N] [Branch2] [O] [N] [C] [C] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch2] [#Branch2] [Branch1] [C] [N] [C@@H1] [C] [C] [C] [C] [N] [C] [=Branch1] [C] [=O] [C@H1] [Branch1] [=N] [C] [C] [=C] [C] [=C] [Branch1] [C] [F] [C] [=C] [Ring1] [#Branch1] [N] [C] [=Branch1] [C] [=O] [C@H1] [Branch1] [=Branch1] [C@@H1] [Branch1] [C] [C] [O] [N] [C] [=Branch1] [C] [=O] [C@H1] [Branch1] [=Branch1] [C] [C] [C] [C] [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] [Branch1] [#Branch2] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=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@H1] [Branch1] [#Branch2] [C] [C] [C] [N] [C] [=Branch1] [C] [=N] [N] [N] [C] [Ring2] [#Branch1] [C] [=O] [C] [C] [=C] [C] [=C] [Branch1] [C] [O] [C] [=C] [Ring1] [#Branch1] [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]
|
49
|
[C] [C] [=N] [NH1] [C] [=C] [C] [=C] [Branch2] [Ring1] [#Branch2] [C] [=C] [C] [Branch1] [#C] [N] [C@@H1] [Branch1] [Ring1] [C] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [=C] [N] [=C] [Ring1] [S] [Cl] [C] [=C] [Ring2] [Ring1] [#Branch2] [Ring2] [Ring1] [#Branch1]
|
56
|
[C] [O] [C] [=C] [C] [=C] [Branch1] [C] [C] [C] [=C] [Ring1] [#Branch1] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [N] [C@H1] [C] [C] [C@@H1] [Branch2] [Ring1] [=Branch2] [N] [C] [C] [N] [Branch1] [#C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [O] [C] [Branch1] [C] [C] [C] [C] [C] [Ring1] [S] [C] [C] [Ring2] [Ring1] [=Branch1]
|
52
|
[C] [O] [C] [=C] [C] [=C] [Branch2] [Ring2] [Branch2] [N] [C] [=N] [C] [=C] [C] [Branch2] [Ring1] [O] [N] [C] [=C] [Branch1] [=C] [N] [C] [Branch1] [C] [C] [C] [Branch1] [C] [C] [Branch1] [C] [C] [C] [C] [=Branch1] [C] [=O] [C] [Ring1] [N] [=O] [=N] [Ring2] [Ring1] [Ring2] [C] [=C] [Ring2] [Ring1] [O] [O] [C]
|
193
|
[N] [C] [=N] [C] [=C] [Branch2] [Branch1] [C] [C] [=C] [C] [=C] [Branch2] [Ring2] [Branch1] [C] [=C] [C] [=C] [Branch1] [=Branch2] [C] [Branch1] [C] [F] [Branch1] [C] [F] [F] [C] [=C] [Ring1] [#Branch2] [C] [=Branch1] [C] [=O] [N] [C] [C] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [C] [C] [Ring1] [Branch2] [C] [=C] [Ring2] [Ring1] [#Branch2] [F] [C] [=N] [Ring2] [Ring1] [P]
|
118
|
[C] [N] [Branch1] [O] [C] [C] [Branch1] [C] [C] [C] [O] [C] [Ring1] [Branch1] [C] [C] [C] [N] [Branch2] [Branch1] [#Branch1] [C] [=Branch1] [C] [=O] [C] [N] [C] [=C] [Branch2] [Ring1] [Ring1] [N] [C] [=Branch1] [C] [=O] [C] [C] [=N] [N] [C] [=C] [C] [=N] [C] [=Ring1] [=Branch2] [Ring1] [=Branch1] [C] [Branch2] [Ring1] [C] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [C] [=C] [Ring1] [#Branch1] [O] [C] [Branch1] [C] [F] [F] [=N] [Ring2] [Ring1] [N] [C] [C] [Ring2] [Ring2] [Branch1]
|
149
|
[C] [C] [N] [C@@H1] [C] [C] [C] [=C] [Branch1] [N] [C] [=C] [C] [=C] [Branch1] [C] [F] [C] [=C] [Ring1] [#Branch1] [C@H1] [Ring1] [=N] [C] [O] [C] [=C] [C] [Branch1] [C] [F] [=C] [Branch1] [S] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [N] [C] [=N] [C] [=C] [S] [Ring1] [Branch1] [C] [=C] [Ring1] [S] [Cl] .[Cl]
|
82
|
[C] [C] [=C] [C] [=C] [Branch2] [Ring2] [=Branch1] [C] [C] [=C] [Branch2] [Ring1] [O] [C@@H1] [C] [C] [C] [C] [Branch1] [S] [C] [C@@H1] [Ring1] [#Branch1] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [#Branch1] [N] [Ring1] [=C] [C] [O] [N] [=Ring2] [Ring1] [Branch1] [C] [=C] [Ring2] [Ring1] [O] .[Cl]
|
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