0  B8R1.1  CSC1=NC(=O)CS1 OR311155 [1,0,0,0,0,0|3,0,0]=4
1  B8R1.1  NCC1CCC(=O)N1 OR953484 [1,0,0,0,0,0|2,0,1]=4
2  B8R1.1  O=C1CC[C@@H](CO)N1 OR350343 [1,0,0,0,0,0|2,0,1]=4
3  B8R1.1  O=C1CC[C@@H](CO)O1 OR42217 [1,0,0,0,0,0|2,0,1]=4
4  B8R1.1  O=C1CC[C@H](CO)N1 OR451180 [1,0,0,0,0,0|2,0,1]=4
5  B8R1.50  CC1=C(C)C(=O)NC1 OR21805 [1,0,0,0,0,0|2,0,0]=3
6  B8R1.50  CC1C(=O)CCC1=O OR0612 [1,0,0,0,0,0|2,0,1]=4
7  B8R1.50  CC1CCC(=O)C1=O OR28640 [1,0,0,0,0,0|0,0,2]=3
8  B8R1.50  O=C1CCC(=O)N1Br OR7970 [1,0,0,0,0,0|3,0,0]=4
9  B8R1.50  O=C1CCC(=O)N1Cl OR0856 [1,0,0,0,0,0|3,0,0]=4
10  B8R1.50  O=C1CCC(=O)N1I OR28900 [1,0,0,0,0,0|3,0,0]=4
11  B8R1.50  O=C1CCC(=O)N1O OR28434 [1,0,0,0,0,0|2,0,0]=3
12  B8R0.3  CCOC(=O)C(=O)CBr OR015293 [0,0,1,0,0,0|2,0,1]=4
13  B8R0.6  CCCCCC(=O)CC OR6025 [0,0,1,0,0,0|1,0,2]=4
14  B8R0.6  CCNCCC(=O)OC OR927277 [0,0,1,0,0,0|3,0,0]=4
15  B10R1.2  CCC1=CC=CC(C)=C1O OR0472 [0,0,0,0,0,1|1,0,2]=4
16  B10R1.2  CCN1CCNC(=O)C1=O OR20010 [0,0,0,0,0,1|1,0,1]=3
17  B7R0.5  CCOC(=O)C(C)=O OR7781 [1,0,1,0,0,0|1,0,1]=4
18  B7R0.10  CC[C@@H](O)C(=O)OC OR52393 [1,0,1,0,0,0|1,0,1]=4
19  B7R0.3  CCC=CC(=O)OC OR40582 [1,0,1,0,0,0|1,0,0]=3
20  B7R0.3  CC\C=C\C(=O)OC OR6667 [1,0,1,0,0,0|1,0,0]=3
21  B7R0.3  COC(=O)C=CCBr OR10966 [1,0,1,0,0,0|2,0,0]=4
22  B7R0.3  COC(=O)CCC=O OR313049 [1,0,1,0,0,0|1,0,1]=4
23  B7R0.4  CCCCCC(=O)Cl OR8839 [1,0,1,0,0,0|1,0,1]=4
24  B7R0.4  CCCCCC(=O)O OR6007 [1,0,1,0,0,0|0,0,1]=3
25  B7R0.4  C\C=C\CCC(=O)O OR60122 [1,0,1,0,0,0|0,0,1]=3
26  B7R0.4  NCCCCC(=O)O OR310635 [1,0,1,0,0,0|1,0,1]=4
27  B7R0.4  O=C(O)CCCCBr OR9972 [1,0,1,0,0,0|1,0,1]=4
28  B7R1.1  CCC1=CC=CN1 OR42007 [2,0,0,0,0,0|1,0,1]=4
29  B7R1.1  CCC1=CC=CO1 OR6028 [2,0,0,0,0,0|1,0,1]=4
30  B7R1.1  CCC1=CC=CS1 OR7250 [2,0,0,0,0,0|1,0,1]=4
31  B7R1.2  CC1=CC(=O)CC1 OR17891 [2,0,0,0,0,0|0,0,0]=2
32  B7R1.2  CC1=CC(=O)NO1 OR2998 [2,0,0,0,0,0|2,0,0]=4
33  B7R1.2  O=C1CCC(=O)C1 OR24952 [2,0,0,0,0,0|1,0,1]=4
34  B7R1.2  O=C1CCC(=O)O1 OR42120 [2,0,0,0,0,0|2,0,0]=4
35  B7R1.4  O=C1CCC=C1Br OR19566 [2,0,0,0,0,0|1,0,0]=3
36  B9R1.5  O=C1CCCCNC1=O OR52235 [0,0,1,1,0,0|1,0,1]=4
37  B9R1.11  COC(=O)C1=CCCC1 OR1990 [0,0,1,1,0,0|2,0,0]=4