0  B9R1.15  C#CC1=C(Cl)C=CC=C1 3106 [0,0,0,0,0,0|2,0,1]=3
1  B9R1.15  O=CC1=C(I)C=CC=C1 1830 [0,0,0,0,0,0|1,0,0]=1
2  B10R1.25  C(=O)C1=C(Cl)N=C(Cl)N=C1 880 [0,1,0,0,0,0|3,0,0]=4
3  B10R1.25  C(=O)C1=C(N)N=C(N)N=C1 797 [0,1,0,0,0,0|3,0,0]=4
4  B9R1.3  CC1=C(Br)C(Br)=CC=C1 2028 [1,1,0,0,0,0|1,0,1]=4
5  B9R1.69  CC1=CC=C(C)C(N)=C1 3122 [1,1,0,0,0,0|1,0,1]=4
6  B11R1.72  N#CC1=C(F)C(F)=CC=C1O 426 [0,2,0,0,0,0|1,0,1]=4
7  B11R1.159  CC(=O)C1=C(C)C(C)=CC=C1 1792 [0,2,0,0,0,0|1,0,0]=3
8  B11R1.159  O=[N+]([O-])C1=CC=CC(O)=C1O 475 [0,2,0,0,0,0|1,0,0]=3
9  B11R1.222  CNC(=O)C1=C(S)C=CC=C1 2019 [0,2,0,0,0,0|0,1,0]=3
10  B11R1.167  CC(=O)C1=C(N)C=CC(Br)=C1 445 [0,2,0,0,0,0|1,0,0]=3
11  B11R1.87  CC1=C(S(C)(=N)=O)C=CC=C1 4821 [0,2,0,0,0,0|2,0,0]=4
12  B11R1.87  CS(=N)(=O)C1=CC=CC=C1Br 4843 [0,2,0,0,0,0|2,0,0]=4
13  B11R1.87  CS(=N)(=O)C1=CC=CC=C1Cl 4840 [0,2,0,0,0,0|2,0,0]=4
14  B11R1.87  CS(=N)(=O)C1=CC=CC=C1F 4836 [0,2,0,0,0,0|2,0,0]=4
15  B11R1.87  CS(=N)(=O)C1=CC=CC=C1N 4829 [0,2,0,0,0,0|2,0,0]=4
16  B11R1.156  CC(=O)C1=C(C)C=CC=C1C 468 [0,2,0,0,0,0|1,0,0]=3
17  B11R2.106  BrC1=C2C=COC2=CC=C1 3667 [0,1,0,1,0,0|1,0,0]=3
18  B11R2.106  BrC1=C2N=CNC2=CC=C1 1219 [0,1,0,1,0,0|2,0,0]=4
19  B11R2.106  NC1=C2NC=CC2=CC=C1 2336 [0,1,0,1,0,0|2,0,0]=4
20  B11R2.106  OC1=C2OCCC2=CC=C1 1288 [0,1,0,1,0,0|1,0,1]=4