0  B11R1.3  B(c1ccc(cc1)OC)(O)O MIX-0211 [0,0,0,0,0,0|1,0,1]=2
1  B11R1.3  [C-]#[N+]c1ccc(cc1)[N+](=O)[O-] ISN-0530 [0,0,0,0,0,0|2,0,2]=4
2  B11R1.3  c1cc(ccc1C(=O)O)NN AHY-0131 [0,0,0,0,0,0|2,0,0]=2
3  B10R1.3  CCc1ccc(cc1)NN AHY-0050 [1,0,0,0,0,0|3,0,0]=4
4  B10R1.3  CCc1ccc(cc1)[N+]#[C-] ISN-0078 [1,0,0,0,0,0|3,0,0]=4
5  B10R1.3  COc1ccc(cc1)NN AHY-0048 [1,0,0,0,0,0|2,0,0]=3
6  B10R1.3  COc1ccc(cc1)[N+]#[C-] ISN-0053 [1,0,0,0,0,0|2,0,0]=3
7  B10R1.13  c1cc(ncc1O)C(=O)O MIX-0152 [1,0,0,0,0,0|1,0,0]=2
8  B12R1.5  CSc1ccc(cc1)C(CO)N BAL-0018 [0,1,0,0,0,0|1,1,1]=4
9  B12R1.6  CSc1ccc(cc1)S(=O)(=O)Cl SUC-0027 [0,1,0,0,0,0|1,1,1]=4
10  B10R1.31  CCc1cc(cs1)C(=O)O 3CT-0143 [0,0,0,0,1,0|2,0,0]=3
11  B10R1.31  CCc1cc(n[nH]1)C(=O)O CAP-0247 [0,0,0,0,1,0|3,0,0]=4
12  B10R1.31  CCn1cc(cn1)C(=O)O MIX-0584 [0,0,0,0,1,0|3,0,0]=4
13  B10R1.31  CCn1ccc(n1)C(=O)O MIX-1028 [0,0,0,0,1,0|3,0,0]=4
14  B9R1.6  B(c1ccccc1)(O)O MIX-0059 [2,0,0,0,0,0|1,0,1]=4
15  B11R1.83  CCOc1ccc(cc1)[N+]#[C-] ISN-0531 [1,1,0,0,0,0|2,0,0]=4
16  B11R1.83  COc1ccc(cc1)C[N+]#[C-] ISN-0033 [1,1,0,0,0,0|1,0,1]=4
17  B11R1.279  COc1ccc(cc1Cl)NN AHY-0089 [1,1,0,0,0,0|2,0,0]=4
18  B11R1.279  COc1ccc(cc1Cl)[N+]#[C-] ISN-0524 [1,1,0,0,0,0|2,0,0]=4
19  B11R1.22  COC(=O)c1ccc(cn1)O MIX-0153 [1,1,0,0,0,0|1,0,0]=3
20  B11R1.22  Cc1ccc(cc1)C(CO)N BAL-0043 [1,1,0,0,0,0|1,0,1]=4
21  B13R1.35  Cc1cc(ccc1OC)CC(=O)O PAA-0103 [0,1,0,0,0,1|0,0,0]=2
22  B13R1.36  CCc1ccc(cc1)C(C(=O)O)N AAA-0052 [0,1,0,0,0,1|1,0,0]=3
23  B13R1.36  COc1ccc(cc1)C(C(=O)O)N AAA-0022 [0,1,0,0,0,1|0,0,0]=2
24  B13R1.36  CSc1ccc(cc1)C(C(=O)O)N AAA-0019 [0,1,0,0,0,1|0,1,0]=3
25  B13R1.142  CCOc1ccc(cc1)CC(=O)O PAA-0018 [0,1,0,0,0,1|0,0,0]=2
26  B13R1.653  COc1ccc(c(c1)Br)CC(=O)O PAA-0032 [0,1,0,0,0,1|0,0,0]=2
27  B13R1.139  CCOc1ccc(cc1)C(CO)N BAL-0013 [0,2,0,0,0,0|1,0,1]=4
28  B13R1.3088  COc1ccc(cc1Cl)C(CO)N BAL-0053 [0,2,0,0,0,0|1,0,1]=4
29  B13R1.38  COc1ccc(cc1Br)S(=O)(=O)Cl SUC-0148 [0,2,0,0,0,0|1,0,1]=4
30  B13R1.38  COc1ccc(cc1Cl)S(=O)(=O)Cl SUC-0052 [0,2,0,0,0,0|1,0,1]=4
31  B13R1.38  COc1ccc(cc1F)S(=O)(=O)Cl SUC-0030 [0,2,0,0,0,0|1,0,1]=4
32  B13R2.2121  COc1ccc2c(c1)sc(n2)N ABT-0064 [0,0,0,1,0,1|1,1,0]=4
33  B9R1.35  Cc1cc(cs1)C(=O)O MIX-1082 [1,0,0,0,1,0|1,0,0]=3
34  B9R1.35  Cc1cc(n[nH]1)C(=O)O CAP-0239 [1,0,0,0,1,0|2,0,0]=4
35  B9R1.35  Cc1cc(no1)C(=O)O MIX-0783 [1,0,0,0,1,0|2,0,0]=4
36  B9R1.35  Cn1cc(cn1)C(=O)O MIX-0626 [1,0,0,0,1,0|2,0,0]=4
37  B11R1.266  c1cc(cc(c1)NN)C(=O)O AHY-0080 [0,0,0,0,1,1|2,0,0]=4
38  B13R1.3  CCc1ccc(cc1)\C=C\C(=O)O MIX-0410 [0,0,0,0,0,2|1,0,0]=3
39  B13R1.3  c1cc(ccc1C=O)OCC(=O)O MIX-0396 [0,0,0,0,0,2|2,0,0]=4