0  B11R1.20  O=C(O)CC1=NC=C(Br)C=C1 SPC-j674 [1,0,0,0,0,0|3,0,0]=4
1  B11R1.20  O=C(O)CC1=NC=C(F)C=C1 SPC-m376 [1,0,0,0,0,0|3,0,0]=4
2  B11R1.83  COC1=CC=C(CNN)C=C1 SPC-j055 [1,0,0,0,0,0|2,0,0]=3
3  B13R1.35  COC1=C(O)C=C(CC(=O)O)C=C1 SPC-s799 [0,1,0,0,0,0|1,0,0]=2
4  B13R1.36  COC1=CC=C([C@@H](N)C(=O)O)C=C1 SPC-k234 [0,1,0,0,0,0|1,0,0]=2
5  B13R1.36  COC1=CC=C([C@@H](O)C(F)F)C=C1 SPC-d080 [0,1,0,0,0,0|2,0,1]=4
6  B13R2.2121  COC1=CC2=C(C=C1)N=C(Cl)S2 SPC-t769 [0,0,0,1,0,0|2,1,0]=4
7  B13R2.2121  COC1=CC2=C(C=C1)N=C(N)S2 SPC-h710 [0,0,0,1,0,0|2,1,0]=4
8  B13R2.2121  COC1=CC2=C(C=C1)SC(N)=N2 SPC-k661 [0,0,0,1,0,0|3,0,0]=4
9  B13R2.2121  O=C1CC2=C(C=CC(CO)=C2)N1 SPC-p606 [0,0,0,1,0,0|3,0,0]=4
10  B11R1.3  C#CC1=CC=C(C(=O)O)C=C1 SPC-t403 [0,0,0,0,1,0|2,0,1]=4
11  B11R1.3  COC1=CN=C(C(=O)O)C=C1 SPC-k940 [0,0,0,0,1,0|2,0,0]=3
12  B11R1.3  COC1=NC=C(C(=O)O)C=C1 SPC-t080 [0,0,0,0,1,0|2,0,0]=3
13  B10R1.3  COC1=CN=C(C=O)N=C1 SPC-u633 [2,0,0,0,0,0|2,0,0]=4
14  B10R1.3  COC1=CN=C(CCl)C=C1 SPC-m285 [2,0,0,0,0,0|2,0,0]=4
15  B10R1.3  COC1=CN=C(CO)C=C1 SPC-n798 [2,0,0,0,0,0|1,0,1]=4
16  B10R1.3  COC1=NC=C(C=O)C=C1 SPC-n262 [2,0,0,0,0,0|1,0,0]=3
17  B10R1.3  COC1=NC=C(CN)C=C1 SPC-j639 [2,0,0,0,0,0|2,0,0]=4
18  B10R1.3  COC1=NC=C(CO)C=C1 SPC-j652 [2,0,0,0,0,0|1,0,1]=4
19  B10R1.3  O=CC1=CC=C(CCl)C=C1 SPC-u418 [2,0,0,0,0,0|2,0,0]=4
20  B12R1.19  O=C(O)CC1=CC(Cl)=C(F)C=C1 SPC-g090 [1,1,0,0,0,0|2,0,0]=4
21  B12R1.49  COC(=O)CC1=CC=C(Br)C=C1 SPC-g230 [1,1,0,0,0,0|1,0,0]=3
22  B12R1.49  COC(=O)CC1=CN=C(Br)C=C1 SPC-v078 [1,1,0,0,0,0|2,0,0]=4
23  B12R1.49  COC(=O)CC1=NC=C(Br)C=C1 SPC-k031 [1,1,0,0,0,0|2,0,0]=4
24  B12R1.48  COC1=C(Br)C=C(C(=O)O)C=N1 SPC-u160 [0,1,0,0,1,0|2,0,0]=4
25  B12R1.48  COC1=C(Cl)C=C(C(=O)O)N=C1 SPC-r180 [0,1,0,0,1,0|2,0,0]=4
26  B12R1.452  COC1=CC(N)=C(C(=O)O)C=N1 SPC-v064 [0,1,0,0,1,0|2,0,0]=4
27  B14R1.3  COC1=CC=C(C[C@H](F)[N+](=O)[O-])C=C1 SPC-d113 [0,1,0,0,0,1|2,0,0]=4
28  B12R2.606  NC1=CC2=C(C=C1)CC(=O)N2 SPC-u070 [1,0,0,1,0,0|2,0,0]=4
29  B12R2.606  NC1=CC2=C(C=C1)NC(=O)C2 SPC-h316 [1,0,0,1,0,0|2,0,0]=4
30  B12R2.606  O=C1CC2=C(C=C(Br)C=C2)N1 SPC-g349 [1,0,0,1,0,0|2,0,0]=4
31  B12R2.606  O=C1CC2=C(C=C(Cl)C=C2)N1 SPC-p794 [1,0,0,1,0,0|2,0,0]=4
32  B12R2.606  O=C1CC2=C(C=CC(Br)=C2)N1 SPC-g276 [1,0,0,1,0,0|2,0,0]=4
33  B12R2.44  COC1=CC2=C(C=CN2)C=C1 SPC-p812 [1,0,0,1,0,0|1,0,1]=4
34  B10R1.13  NC(=O)C1=NC=C(O)C=C1 SPC-u527 [1,0,0,0,1,0|2,0,0]=4
35  B10R1.13  O=C(O)C1=NC=C(O)C=C1 SPC-g279 [1,0,0,0,1,0|2,0,0]=4