0  B17R2.193  NC1=CC(OCC2=CC=CC=C2)=CC=C1F      AK135457 [0,0,0,0,0,0|3,1,0]=4
1  B16R2.132  BrC1=NC=C(OCC2=CC=CC=C2)C=C1      AK143482 [1,0,0,0,0,0|1,1,1]=4
2  B16R2.132  C(C1=CC=CC=C1)OC2=CN=C(C=C2)N      AK-30591 [1,0,0,0,0,0|1,1,1]=4
3  B16R2.132  C1=C(C=CC=C1)COC2=CC=C(C=C2)Br      AK-46330 [1,0,0,0,0,0|2,1,0]=4
4  B16R2.132  C1=C(OCC2=CC=CC=C2)C=CC(=C1)N      AK-35954 [1,0,0,0,0,0|2,1,0]=4
5  B16R2.132  C1=C(OCC2=CC=CC=C2)C=CC(=C1)O      AK-41211 [1,0,0,0,0,0|1,1,1]=4
6  B16R2.132  NC1=CC=C(CCC2=CC=CC=C2)C=C1      AK399667 [1,0,0,0,0,0|3,0,0]=4
7  B16R2.132  NC1=CC=C(NCC2=CC=CC=C2)C=C1      AK118190 [1,0,0,0,0,0|3,0,0]=4
8  B16R2.132  NC1=CC=C(OCC2=CC=CC=C2)C=C1      AK-44726 [1,0,0,0,0,0|2,1,0]=4
9  B16R2.132  OC1=CC=C(NCC2=CC=CC=C2)C=C1      AK135637 [1,0,0,0,0,0|2,0,1]=4
10  B16R2.252  BrC1=CC=CC(OCC2=CC=CC=C2)=C1      AK-61852 [1,0,0,0,0,0|2,1,0]=4
11  B16R2.252  BrC1=CN=CC(OCC2=CC=CC=C2)=C1      AK-57446 [1,0,0,0,0,0|1,1,1]=4
12  B16R2.252  C1=C(C=CC=C1N)OCC2=CC=CC=C2      AK-47462 [1,0,0,0,0,0|2,1,0]=4
13  B16R2.252  C1=C(CCC2=CC=CC=C2)C=CC=C1O      AK-27011 [1,0,0,0,0,0|2,0,0]=3
14  B16R2.252  OC1=CC=CC(OCC2=CC=CC=C2)=C1      AK111125 [1,0,0,0,0,0|1,1,0]=3
15  B18R2.2562  FC1=C(C=O)C=CC(OCC2=CC=CC=C2)=C1      AK-84634 [0,1,0,0,0,0|2,1,0]=4
16  B18R2.2562  N#CC1=CC=C(OCC2=CC=CC=C2)C=C1O      AK540754 [0,1,0,0,0,0|2,1,0]=4
17  B18R2.2562  O=CC1=CC=C(OCC2=CC=CC=C2)C=C1C      AK135948 [0,1,0,0,0,0|2,1,0]=4
18  B15R2.2195  C1(SCC2=CC=CC=C2)=CC=CC=C1      AK116684 [2,0,0,0,0,0|1,0,0]=3
19  B17R2.48  C1=C(OCC2=CC=CC=C2)C=CC(=C1)C=O      AK-46773 [1,1,0,0,0,0|1,1,0]=4
20  B19R2.91860  CC(C1=CC=C(OCC2=CC=CC=C2)C=C1O)=O      AK-48125 [0,2,0,0,0,0|1,1,0]=4
21  B15R2.29  C1=C(CC2=CC=CC=C2)C=CC(=C1)N      AK-25302 [1,0,0,0,1,0|2,0,0]=4
22  B15R2.31  C1=CC(=CC(=C1)CC2=CC=CC=C2)O      AK-27018 [1,0,0,0,1,0|1,0,0]=3
23  B15R2.94  NC1=CC(=CNC1=O)C2=CC=NC=C2      AK-99994 [0,0,0,0,2,0|2,0,0]=4