0  B12R2.24  IC1=CN=C2C=CC=NC2=C1 HC010-1 [1,0,0,0,0,0|1,0,1]=3
1  B12R2.24  NC1=CN=C2C=CC=NC2=C1 HC030-1 [1,0,0,0,0,0|1,0,1]=3
2  B12R2.24  O=C1COC2=NC=CC=C2N1 HC446-1 [1,0,0,0,0,0|1,0,1]=3
3  B12R2.24  OC1=CN=C2C=CC=NC2=C1 HC021-1 [1,0,0,0,0,0|0,0,1]=2
4  B12R1.371  O=C(CCl)NC1=CC=CN=C1O HB024-1 [0,0,1,0,0,0|2,0,1]=4
5  B11R1.86  CC(=O)NC1=CC=CN=C1O HB023-1 [1,0,1,0,0,0|1,0,1]=4
6  B11R2.20  C1=CC2=CN=CC=C2N=C1 HC001-1 [2,0,0,0,0,0|2,0,0]=4
7  B13R2.32  NC1=CN=C2C=CC=NC2=C1I HC031-1 [1,1,0,0,0,0|1,0,1]=4
8  B13R2.32  OC1=CN=C2C=CC=NC2=C1I HC025-1 [1,1,0,0,0,0|0,0,1]=3
9  B13R2.57  COC1=CN=C2C=CC=NC2=C1 HC027-1 [1,1,0,0,0,0|0,0,1]=3
10  B13R2.57  N#CC1=CN=C2C=CC=NC2=C1 HC041-1 [1,1,0,0,0,0|1,0,1]=4
11  B13R2.57  O=CC1=CC2=C(C=CC=N2)N=C1 HC023-1 [1,1,0,0,0,0|0,0,2]=4
12  B13R2.57  OCC1=CN=C2C=CC=NC2=C1 HC039-1 [1,1,0,0,0,0|0,0,1]=3
13  B13R2.155  CC1=CN=C2OCC(=O)NC2=C1 HC473-1 [1,1,0,0,0,0|1,0,1]=4
14  B13R2.155  O=C1COC2=NC=C(Br)C=C2N1 HC460-1 [1,1,0,0,0,0|1,0,1]=4
15  B13R2.155  O=C1COC2=NC=C(I)C=C2N1 HC463-1 [1,1,0,0,0,0|1,0,1]=4
16  B13R2.155  OC1=NC2=NC(F)=CC=C2C=C1 HC002-1 [1,1,0,0,0,0|2,0,0]=4
17  B13R2.3683  O=C1COC2=NC(I)=CC=C2N1 HC461-1 [1,1,0,0,0,0|1,0,1]=4
18  B13R2.3683  OC1=NC2=NC=C(Br)C=C2C=C1 HC006-1 [1,1,0,0,0,0|2,0,0]=4
19  B11R2.1  IC1=CNC2=NC=CC=C12 HC044-1 [1,0,0,0,1,0|2,0,0]=4
20  B11R2.36  OC1=CN=C2C=CNC2=C1 HC125-1 [1,0,0,0,1,0|0,0,2]=4
21  B11R2.36  OC1=CN=C2C=COC2=C1 HC327-1 [1,0,0,0,1,0|1,0,1]=4
22  B11R2.36  OC1=CN=C2NC=CC2=C1 HC048-1 [1,0,0,0,1,0|1,0,1]=4