0  B9R1.8  CNCC1=CC=CN=C1 TL00368 [0,0,0,0,0,0|3,0,0]=3
1  B9R1.8  OCCC1=CC=CN=C1 KM09875 [0,0,0,0,0,0|1,1,0]=2
2  B9R1.8  S=C=NC1=CC=CN=C1 CC04107 [0,0,0,0,0,0|2,0,2]=4
3  B8R1.2  ClCC1=NC=CC=N1 MAY00188 [1,0,0,0,0,0|3,0,0]=4
4  B8R1.2  OCC1=NC=CN=C1 CC03409 [1,0,0,0,0,0|0,1,0]=2
5  B10R1.1  CCCC1=CN=C(Cl)N=C1 RJC02409 [0,1,0,0,0,0|3,0,0]=4
6  B10R1.1  CNCC1=NC=C(Br)C=C1 MO07896 [0,1,0,0,0,0|3,0,0]=4
7  B10R1.1  OCCC1=CC=C(O)C=C1 SB01196 [0,1,0,0,0,0|2,1,0]=4
8  B10R1.4  CNCC1=NC=CC=C1F CC30946 [0,1,0,0,0,0|3,0,0]=4
9  B10R1.10  CNCC1=CC(Br)=CN=C1 CC67146 [0,1,0,0,0,0|3,0,0]=4
10  B10R1.15  O=C(CBr)C1=NC=CC=C1 CC04005 [0,1,0,0,0,0|2,0,1]=4
11  B10R1.17  NCCOC1=CC=CC=C1 RF03254 [0,1,0,0,0,0|3,0,0]=4
12  B7R1.3  NC1=NC=CN=N1 AC14623 [2,0,0,0,0,0|2,0,0]=4
13  B9R1.1  CC1=CC=C(CS)C=C1 TL00457 [1,1,0,0,0,0|2,0,0]=4
14  B9R1.1  COC1=CC=C(I)C=N1 NP43893 [1,1,0,0,0,0|2,0,0]=4
15  B9R1.1  NC1=CC=C(CO)C=N1 MO07396 [1,1,0,0,0,0|1,1,0]=4
16  B9R1.1  OCC1=NC=C(Br)C=C1 MO07897 [1,1,0,0,0,0|1,1,0]=4
17  B9R1.2  CC1=CC=CC(CS)=C1 TL00469 [1,1,0,0,0,0|2,0,0]=4
18  B9R1.2  CC1=NC(CO)=CC=C1 RJC03579 [1,1,0,0,0,0|1,1,0]=4
19  B9R1.2  CCC1=CC=CC(Br)=C1 TL00571 [1,1,0,0,0,0|2,0,0]=4
20  B9R1.2  COC1=CC=CC(N)=N1 MO08464 [1,1,0,0,0,0|2,0,0]=4
21  B9R1.2  ClCC1=CC(Br)=CN=C1 CC67174 [1,1,0,0,0,0|2,0,0]=4
22  B9R1.6  O=C(Cl)C1=NC=CN=C1 CC03402 [1,1,0,0,0,0|0,1,1]=4
23  B9R1.15  COC1=CC=CN=C1Br NP43815 [1,1,0,0,0,0|2,0,0]=4
24  B9R1.15  COC1=CC=CN=C1N NP45374 [1,1,0,0,0,0|2,0,0]=4
25  B9R1.15  COC1=NC=CC=C1N SPB07839 [1,1,0,0,0,0|2,0,0]=4
26  B9R1.15  N#CC1=NC=CN=C1Cl KM04911 [1,1,0,0,0,0|1,0,1]=4
27  B9R1.7  CC1=NC(CCN)=CS1 CC54613 [0,1,0,0,1,0|2,0,0]=4
28  B9R1.7  CC1=NC(CCO)=CS1 CC54609 [0,1,0,0,1,0|1,1,0]=4
29  B11R1.91  CN(C)CCC1=NC=CC=C1 SB01680 [0,2,0,0,0,0|2,0,0]=4
30  B11R2.20  C1=CC2=C(N=C1)NCCO2 CC60830 [0,1,0,1,0,0|1,1,0]=4
31  B11R2.1  NC1=CSC2=NC=CN=C12 MO07822 [0,1,0,1,0,0|0,0,2]=4
32  B7R1.1  ClCC1=NOC=N1 SEW00285 [1,0,0,0,1,0|2,0,0]=4
33  B7R1.1  NCC1=CN=CS1 MO08602 [1,0,0,0,1,0|2,0,0]=4
34  B7R1.1  NCC1=CSC=C1 CC13113 [1,0,0,0,1,0|2,0,0]=4
35  B7R1.1  NCC1=NC=CS1 CC09513 [1,0,0,0,1,0|2,0,0]=4
36  B7R1.1  OCC1=NC=CN1 CC08909 [1,0,0,0,1,0|0,1,1]=4
37  B7R1.1  OCC1=NC=CS1 CC09509 [1,0,0,0,1,0|1,1,0]=4