0  B6R1.1  C1=CCONC1 4044151 [0,0,0,0,0,0|2,0,2]=4
1  B7R1.3  NC1=NN=CC=C1 4030375 [0,1,0,0,0,0|2,0,0]=3
2  B5R1.1  C1=CSN=C1 4036435 [0,0,0,0,1,0|2,0,0]=3
3  B6R1.2  BrC1=CSC=N1 4108309 [0,1,0,0,1,0|2,0,0]=4
4  B6R1.2  BrC1=CSN=C1 4039606 [0,1,0,0,1,0|2,0,0]=4
5  B6R1.2  BrC1=NC=CO1 4039122 [0,1,0,0,1,0|2,0,0]=4
6  B6R1.2  NC1=NOC=C1 4034713 [0,1,0,0,1,0|2,0,0]=4
7  B6R1.2  O=C1NC=CN1 4029600 [0,1,0,0,1,0|2,0,0]=4
8  B6R1.2  OC1=CNN=C1 4037184 [0,1,0,0,1,0|2,0,0]=4
9  B8R1.2  BrCC1=CN=CC=C1 4034752 [0,2,0,0,0,0|1,0,0]=3
10  B8R1.2  C#CC1=CN=CN=C1 4035047 [0,2,0,0,0,0|2,0,0]=4
11  B8R1.2  ClCC1=NC=CC=N1 4009659 [0,2,0,0,0,0|2,0,0]=4
12  B8R1.2  N#CC1=CC=CN=N1 4036463 [0,2,0,0,0,0|2,0,0]=4
13  B8R1.2  NNC1=CC=CN=C1 4019584 [0,2,0,0,0,0|1,0,0]=3
14  B8R1.2  NNC1=CC=NC=C1 4100548 [0,2,0,0,0,0|1,0,0]=3
15  B8R1.2  NNC1=NC=CC=N1 4088465 [0,2,0,0,0,0|2,0,0]=4
16  B8R1.2  NNC1=NC=CC=N1 4100952 [0,2,0,0,0,0|2,0,0]=4
17  B8R1.3  BrC1=CN=C(I)C=C1 4045186 [0,2,0,0,0,0|1,0,0]=3
18  B8R1.3  CC1=CN=C(N)N=C1 5264664 [0,2,0,0,0,0|2,0,0]=4
19  B8R1.3  CC1=CN=C(O)N=C1 4044366 [0,2,0,0,0,0|2,0,0]=4
20  B8R1.3  CC1=NC=C(Br)C=N1 4044350 [0,2,0,0,0,0|2,0,0]=4
21  B8R1.3  FC1=CN=C(Br)N=C1 4092756 [0,2,0,0,0,0|2,0,0]=4
22  B8R1.3  NC1=CC=C(I)C=N1 3001813 [0,2,0,0,0,0|1,0,0]=3
23  B8R1.3  OC1=CC=C(O)N=C1 4030644 [0,2,0,0,0,0|1,0,0]=3
24  B8R1.3  OC1=NN=C(Br)C=C1 4035405 [0,2,0,0,0,0|2,0,0]=4
25  B8R1.4  CC1=CC(O)=NN=C1 4108288 [0,2,0,0,0,0|2,0,0]=4
26  B8R1.4  CC1=CC=NC(O)=N1 4040424 [0,2,0,0,0,0|2,0,0]=4
27  B8R1.4  CC1=CC=NC(O)=N1 4089730 [0,2,0,0,0,0|2,0,0]=4
28  B8R1.4  CC1=NC(Cl)=CC=N1 4015462 [0,2,0,0,0,0|2,0,0]=4
29  B8R1.4  CC1=NC=CC(Br)=C1 4014101 [0,2,0,0,0,0|1,0,0]=3
30  B8R1.4  CC1=NC=NC(N)=C1 9072006 [0,2,0,0,0,0|2,0,0]=4
31  B8R1.4  NC1=CC(Br)=CC=N1 4029341 [0,2,0,0,0,0|1,0,0]=3
32  B8R1.4  NC1=CC(Br)=CN=C1 4006048 [0,2,0,0,0,0|1,0,0]=3
33  B8R1.4  OC1=NC(Cl)=CN=C1 4042614 [0,2,0,0,0,0|2,0,0]=4
34  B8R1.5  CC1=C(Br)C=CN=C1 4014100 [0,2,0,0,0,0|1,0,0]=3
35  B8R1.5  CC1=C(Br)C=CN=C1 4090923 [0,2,0,0,0,0|1,0,0]=3
36  B8R1.5  CC1=C(O)N=CN=C1 4043028 [0,2,0,0,0,0|2,0,0]=4
37  B8R1.5  CC1=NC=CN=C1Br 4002958 [0,2,0,0,0,0|2,0,0]=4
38  B8R1.5  NC1=CC=CN=C1O 4034758 [0,2,0,0,0,0|1,0,0]=3