0  B10R1.58  CC1=C(Br)N=C(C(=O)O)N1 96268 [0,0,0,0,0,0|2,1,0]=3
1  B10R1.58  CN1C=C(C(=O)O)N=C1Br C76737 [0,0,0,0,0,0|2,1,0]=3
2  B9R1.23  O=CC1=NC(Cl)=C(Cl)S1 P12624 [1,0,0,0,0,0|2,0,0]=3
3  B9R1.35  CC1=COC(C(=O)[O-])=N1 AT25441 [1,0,0,0,0,0|1,1,1]=4
4  B9R1.35  CC1=NSC(C(=O)[O-])=N1 P17953 [1,0,0,0,0,0|2,0,1]=4
5  B9R1.35  O=C(O)C1=CC(Cl)=CO1 P20559 [1,0,0,0,0,0|1,1,0]=3
6  B9R1.35  O=C(O)C1=CC(F)=CN1 W11739 [1,0,0,0,0,0|2,0,0]=3
7  B11R1.21  CC(=O)C1=CC(Cl)=C(C)C=C1 F20825 [0,0,0,0,0,1|2,0,0]=3
8  B11R1.21  CC1=C(F)C=C(C(=O)O)N=C1 W19243 [0,0,0,0,0,1|1,1,0]=3
9  B11R1.21  O=C(O)C1=CC=C(F)C(F)=N1 D74727 [0,0,0,0,0,1|2,1,0]=4
10  B11R1.21  O=C(O)C1=CC=C(O)C(=O)N1 O11445 [0,0,0,0,0,1|3,0,0]=4
11  B11R1.21  O=C(O)C1=NC(O)=C(O)N=C1 O11326 [0,0,0,0,0,1|3,0,0]=4
12  B11R1.74  CC1=CC(C(=O)O)=NC(C)=C1 Y10195 [0,0,0,0,0,1|2,0,0]=3
13  B11R1.74  O=C(O)C1=CC(Cl)=NC(F)=C1 AC8374 [0,0,0,0,0,1|2,0,0]=3
14  B8R1.1  O=CC1=NN=C(Cl)S1 Y11589 [2,0,0,0,0,0|2,0,0]=4
15  B8R1.1  OCC1=CC=C(F)S1 83085 [2,0,0,0,0,0|0,1,1]=4
16  B8R1.7  O=C(O)C1=NC=NS1 AC1260 [2,0,0,0,0,0|2,0,0]=4
17  B10R1.14  COC(=O)C1=NC=C(C)N1 Y14700 [1,1,0,0,0,0|2,0,0]=4
18  B10R1.14  COC(=O)C1=NC=C(N)S1 P13279 [1,1,0,0,0,0|2,0,0]=4
19  B10R1.31  CCC1=CNC(C(=O)O)=C1 E70419 [1,1,0,0,0,0|1,0,0]=3
20  B10R1.31  COC1=CNC(C(=O)O)=C1 AC8161 [1,1,0,0,0,0|1,0,0]=3
21  B10R1.31  NCC1=NC=C(C(=O)O)S1 86635 [1,1,0,0,0,0|2,0,0]=4
22  B10R1.59  O=C(O)C1=C(Cl)N=C(Br)S1 Y10484 [1,1,0,0,0,0|1,1,0]=4
23  B10R1.194  CC1=C(N)C(C(=O)O)=CS1 C76086 [1,1,0,0,0,0|2,0,0]=4
24  B12R1.48  C#CC1=C(Cl)C=C(C(=O)O)C=C1 C73585 [0,1,0,0,0,1|1,0,1]=4
25  B12R1.232  CC1=C(Br)C=C(C(=O)O)C(Cl)=N1 C72020 [0,1,0,0,0,1|1,1,0]=4
26  B12R1.232  CC1=CC(N)=C(C(=O)O)C=C1C 34919 [0,1,0,0,0,1|2,0,0]=4
27  B12R1.232  CC1=NC(C)=C(C(N)=O)N=C1Cl C12654 [0,1,0,0,0,1|2,0,0]=4
28  B12R1.232  O=C(O)C1=C(Br)N=C(Br)C(Cl)=C1 C75592 [0,1,0,0,0,1|2,0,0]=4
29  B12R1.367  COC(=O)C1=CC(Cl)=C(Cl)C=N1 O11922 [0,1,0,0,0,1|2,0,0]=4
30  B12R1.367  COC(=O)C1=CN=C(C)C(Cl)=N1 W15307 [0,1,0,0,0,1|1,0,0]=3
31  B12R1.893  CC1=C(N)C=CC(C(=O)O)=C1F W19342 [0,1,0,0,0,1|2,0,0]=4
32  B12R1.893  NC1=C(C(=O)O)C=CC(Br)=C1Cl 96226 [0,1,0,0,0,1|2,0,0]=4
33  B12R1.1005  CC1=CC(C(=O)O)=CN(C)C1=O C76144 [0,1,0,0,0,1|2,0,0]=4
34  B12R1.11  COC1=CC(O)=CC(C(=O)O)=C1 O11013 [0,1,0,0,0,1|2,0,0]=4
35  B10R1.8  O=CC1=CC(Cl)=CC(Cl)=N1 C72313 [1,0,0,0,0,1|2,0,0]=4