0  B9R1.22  CC1=NC(C)=C(CCl)S1 4090734 [0,0,0,0,0,0|1,0,1]=2
1  B9R1.22  CC1=NC(C)=C(CN)S1 4090230 [0,0,0,0,0,0|1,0,1]=2
2  B9R1.22  CC1=NC(CCl)=C(C)S1 4043608 [0,0,0,0,0,0|3,0,1]=4
3  B9R1.22  CC1=NN(C)C(CCl)=N1 4042923 [0,0,0,0,0,0|3,0,1]=4
4  B9R1.22  CC1=NN(C)C(CN)=N1 4021149 [0,0,0,0,0,0|3,0,1]=4
5  B9R1.22  CC1=NN(C)C=C1CN 4091216 [0,0,0,0,0,0|3,0,1]=4
6  B9R1.22  CN1N=C(Br)C(C=O)=N1 4110764 [0,0,0,0,0,0|4,0,0]=4
7  B8R1.1  CC1=NC(C=O)=CO1 4038328 [1,0,0,0,0,0|3,0,0]=4
8  B8R1.1  CC1=NC=C(C=O)S1 4301186 [1,0,0,0,0,0|1,0,0]=2
9  B8R1.1  CC1=NN=C(CN)S1 4034872 [1,0,0,0,0,0|2,0,1]=4
10  B8R1.1  CC1=NN=C(CN)S1 4110614 [1,0,0,0,0,0|2,0,1]=4
11  B8R1.1  CN1C=C(C=O)C=N1 4301129 [1,0,0,0,0,0|3,0,0]=4
12  B8R1.11  CC1=C(CBr)SC=N1 4089692 [1,0,0,0,0,0|1,0,1]=3
13  B8R1.11  CC1=C(CN)NC=N1 4091171 [1,0,0,0,0,0|2,0,1]=4
14  B8R1.11  CC1=C(CN)SC=C1 4088805 [1,0,0,0,0,0|2,0,1]=4
15  B8R1.18  CC1=C(C)OC(N)=N1 4090608 [1,0,0,0,0,0|1,1,1]=4
16  B8R1.18  CC1=NN(C)C=C1N 4087920 [1,0,0,0,0,0|3,0,0]=4
17  B8R1.18  CC1=NN(C)C=C1N 4088249 [1,0,0,0,0,0|3,0,0]=4
18  B10R1.32  CCC1=C(CN)SC(C)=N1 4033654 [0,1,0,0,0,0|1,0,1]=3
19  B10R1.35  CCC1=NC(C)=C(CN)S1 4091016 [0,1,0,0,0,0|1,0,1]=3
20  B10R1.59  CC(=O)C1=C(C)SC(C)=N1 4089989 [0,1,0,0,0,0|2,0,1]=4
21  B10R1.59  CC(=O)C1=CN(C)N=C1C 4002405 [0,1,0,0,0,0|2,0,1]=4
22  B10R1.59  CC1=NC(C(=O)O)=C(C)S1 4029525 [0,1,0,0,0,0|3,0,0]=4
23  B10R1.59  CC1=NN(C)C(C(=O)[O-])=N1 4085781 [0,1,0,0,0,0|3,0,0]=4
24  B10R1.8  CC1=CC(CN)=CC(C)=N1 4021497 [0,0,0,0,0,1|2,0,1]=4
25  B7R1.1  C1=NC=C(CO)S1 4050354 [2,0,0,0,0,0|1,0,1]=4
26  B7R1.1  ClCC1=CN=CS1 4089081 [2,0,0,0,0,0|1,0,1]=4
27  B7R1.2  CC1=COC(C)=C1 4091270 [2,0,0,0,0,0|1,1,0]=4
28  B7R1.2  CC1=NN(C)C=C1 3020421 [2,0,0,0,0,0|2,0,0]=4
29  B9R1.35  CC1=CC=C(C(=O)O)S1 3001579 [1,1,0,0,0,0|2,0,0]=4
30  B9R1.41  CC1=C(C(=O)O)OC=N1 4401487 [1,1,0,0,0,0|1,1,0]=4
31  B9R1.41  CC1=C(C(=O)O)SC=C1 3020058 [1,1,0,0,0,0|2,0,0]=4
32  B11R1.49  COC1=C(C(=O)O)SC(C)=C1 4041180 [0,2,0,0,0,0|2,0,0]=4
33  B11R1.48  CC1=C(CN)SC(C(C)C)=N1 4027553 [0,2,0,0,0,0|1,0,1]=4
34  B11R1.48  CC1=C(CN)SC(C(C)C)=N1 4088350 [0,2,0,0,0,0|1,0,1]=4
35  B11R1.187  COCC1=NC(C)=C(CN)S1 4090742 [0,2,0,0,0,0|1,0,1]=4
36  B11R1.225  COC(=O)C1=C(C)N=C(N)S1 4142897 [0,2,0,0,0,0|1,0,1]=4
37  B11R2.10  CC1=NC2=CC=CN=C2N1 4089154 [0,1,0,1,0,0|1,0,1]=4