0  B12R1.286  COC1=C(C=CC(=C1)CC#N)F 8464 [0,0,0,0,0,0|2,0,1]=3
1  B11R1.280  COC1=C(C=CC(=C1)C#N)F 5125 [1,0,0,0,0,0|2,0,1]=4
2  B11R1.280  COC1=C(C=CC(=C1)C=O)F 6470 [1,0,0,0,0,0|2,0,0]=3
3  B11R1.280  COC1=CC(=C(C=C1)I)OC 8019 [1,0,0,0,0,0|2,0,1]=4
4  B11R1.280  COC1=CC(=C(C=C1)S)OC 10443 [1,0,0,0,0,0|1,1,1]=4
5  B13R1.386  COC1=C(C=C(C=C1)CC#N)OC 10610 [0,1,0,0,0,0|1,0,1]=3
6  B13R1.386  COC1=C(C=C(C=C1)CCN)OC 10079 [0,1,0,0,0,0|1,0,1]=3
7  B13R1.386  COc1ccc(cc1OC)CCN D0021 [0,1,0,0,0,0|1,0,1]=3
8  B13R1.386  COc1ccc(cc1OC)CCN D1244 [0,1,0,0,0,0|1,0,1]=3
9  B10R1.10  CC1=CC(=CC=C1)CCO 8299 [2,0,0,0,0,0|1,0,1]=4
10  B10R1.172  COC1=CC(=CC=C1)SC 6568 [2,0,0,0,0,0|1,0,1]=4
11  B10R1.172  COC1=CC=CC(=C1)C#N 8238 [2,0,0,0,0,0|1,0,1]=4
12  B10R1.172  COC1=CC=CC(=C1)CCl 8952 [2,0,0,0,0,0|1,0,0]=3
13  B10R1.172  COC1=CC=CC(=N1)C=O 8456 [2,0,0,0,0,0|2,0,0]=4
14  B10R1.1  C1=CC(=CC=C1CCO)O 8495 [2,0,0,0,0,0|1,0,1]=4
15  B10R1.176  C1=CC(=C(C=C1C=O)F)O 9932 [2,0,0,0,0,0|2,0,0]=4
16  B10R1.176  C1=CC(=C(C=C1C=O)O)O 6767 [2,0,0,0,0,0|1,0,0]=3
17  B10R1.176  C1=CC(=C(C=C1CO)Br)O 9541 [2,0,0,0,0,0|2,0,0]=4
18  B10R1.176  CC1=C(C=C(C=C1)CN)C 6547 [2,0,0,0,0,0|2,0,0]=4
19  B10R1.176  CC1=C(C=CC(=C1)CBr)F 9893 [2,0,0,0,0,0|2,0,0]=4
20  B10R1.176  CC1=C(C=CC(=C1)CN)F 8722 [2,0,0,0,0,0|2,0,0]=4
21  B10R1.30  COC1=C(C=CC(=C1)Br)Cl 9742 [2,0,0,0,0,0|2,0,0]=4
22  B10R1.30  COC1=C(C=CC(=C1)Br)F 5237 [2,0,0,0,0,0|2,0,0]=4
23  B10R1.30  COC1=C(C=CC(=C1)Br)N 5264 [2,0,0,0,0,0|2,0,0]=4
24  B10R1.30  COC1=C(C=CC(=C1)Br)O 6868 [2,0,0,0,0,0|1,0,0]=3
25  B10R1.30  COC1=C(C=CC(=C1)F)F 8359 [2,0,0,0,0,0|2,0,0]=4
26  B12R1.56  CC(=O)C1=CC(=C(C=C1)F)OC 5973 [1,1,0,0,0,0|1,0,1]=4
27  B12R1.56  COC1=C(C=CC(=C1)C(=O)O)F 9887 [1,1,0,0,0,0|2,0,0]=4
28  B12R1.56  COC1=C(C=CC(=C1)C(=O)O)O 8894 [1,1,0,0,0,0|1,0,0]=3
29  B12R1.78  COC1=C(C=C(C=C1)C#N)OC 9392 [1,1,0,0,0,0|1,0,1]=4
30  B12R1.78  COC1=C(C=C(C=C1)C=O)OC 6788 [1,1,0,0,0,0|1,0,0]=3
31  B12R1.300  COC1=C(C(=CC(=C1)C=O)Br)O 8901 [1,1,0,0,0,0|1,0,0]=3
32  B14R1.14946  COC1=C(C=C(C(=C1)CC#N)Br)OC 6524 [0,2,0,0,0,0|1,0,1]=4
33  B14R1.42  COC1=C(C=CC(=C1)\C=C\C(=O)O)O 9849 [0,2,0,0,0,0|0,0,1]=3
34  B12R2.44  COC1=CC2=C(C=C1)C=CN2 6603 [1,0,0,1,0,0|1,0,0]=3
35  B12R2.44  COC1=CC2=C(C=C1)C=CN2 8822 [1,0,0,1,0,0|1,0,0]=3
36  B14R2.1008  C1COC2=C1C=C(C=C2)CC(=O)O 5191 [0,1,0,1,0,0|2,0,0]=4
37  B14R2.82  COC1=C(C=C2C(=C1)C=CN2)OC 8221 [0,1,0,1,0,0|1,0,0]=3