0  B10R1.13  NC(=O)C1=CC=C(N)N=C1 2364 [0,0,0,0,0,0|3,0,0]=3
1  B10R1.13  OB(O)C1=CC=C(Br)C=C1 1800 [0,0,0,0,0,0|3,0,1]=4
2  B11R1.3  CN(C)C1=NC=C(CN)C=C1 3666 [0,1,0,0,0,0|3,0,0]=4
3  B11R1.3  COC1=CC=C(N(C)C)C=C1 2022 [0,1,0,0,0,0|2,0,0]=3
4  B11R1.3  N#CC1=CC=C(C(N)=O)C=C1 482 [0,1,0,0,0,0|1,0,1]=3
5  B11R1.19  CC1=CC=C(S(C)(=N)=O)C=C1 4819 [0,1,0,0,0,0|1,0,0]=2
6  B11R1.19  CS(=N)(=O)C1=CC=C(Br)C=C1 4841 [0,1,0,0,0,0|2,0,0]=3
7  B11R1.19  CS(=N)(=O)C1=CC=C(Cl)C=C1 4838 [0,1,0,0,0,0|2,0,0]=3
8  B11R1.19  CS(=N)(=O)C1=CC=C(F)C=C1 4834 [0,1,0,0,0,0|2,0,0]=3
9  B11R1.19  CS(=N)(=O)C1=CC=C(N)C=C1 4827 [0,1,0,0,0,0|2,0,0]=3
10  B10R1.176  CCC1=CC=C(F)C(O)=C1 4520 [1,1,0,0,0,0|1,0,1]=4
11  B10R1.15  O=C(NBr)C1=CC=CC=C1 4166 [1,1,0,0,0,0|1,0,0]=3
12  B10R1.28  CS(=N)(=O)C1=CC=CC=C1 4163 [1,1,0,0,0,0|1,0,0]=3
13  B10R1.113  CN(N)C1=CC=CC(Br)=C1 4054 [1,1,0,0,0,0|2,0,0]=4
14  B12R1.5  COC1=CC=C(C(=O)CO)C=C1 1779 [0,2,0,0,0,0|0,0,0]=2
15  B12R1.6  COC1=CC=C(S(C)(=N)=O)C=C1 4823 [0,2,0,0,0,0|1,0,0]=3
16  B12R1.48  COC1=CC=C(C(C)=O)C=C1Cl 2703 [0,2,0,0,0,0|0,0,0]=2
17  B12R1.56  N#CC1=CC(C(=O)O)=CC=C1Cl 4188 [0,2,0,0,0,0|2,0,0]=4
18  B12R1.232  O=C(O)C1=CC(Br)=C(Cl)C=C1Cl 501 [0,2,0,0,0,0|2,0,0]=4
19  B12R1.367  COC(=O)C1=CC(=O)C(O)=CO1 798 [0,2,0,0,0,0|2,0,0]=4
20  B12R1.1703  CNC(=O)C1=C(F)C=C(N)C=C1 3624 [0,2,0,0,0,0|1,0,0]=3
21  B12R1.1703  COC(=O)C1=CC=C(Cl)N=C1Cl 2867 [0,2,0,0,0,0|2,0,0]=4
22  B12R2.606  O=C1CC2=CC=C(Br)C=C2N1 2583 [0,0,0,1,0,1|2,0,0]=4