0  B12R1.21  Cc1ccc(cc1)\C=C\C(=O)O MIX-0409 [0,1,0,0,0,0|0,0,0]=1
1  B12R1.21  c1cc(ccc1\C=C\C(=O)O)F MIX-0405 [0,1,0,0,0,0|0,0,0]=1
2  B12R1.125  Cc1ccccc1\C=C\C(=O)O MIX-0402 [0,1,0,0,0,0|0,0,0]=1
3  B12R1.125  c1ccc(c(c1)\C=C\C(=O)O)F MIX-0419 [0,1,0,0,0,0|0,0,0]=1
4  B12R1.226  Cc1cccc(c1)\C=C\C(=O)O MIX-0421 [0,1,0,0,0,0|0,0,0]=1
5  B12R1.226  c1cc(cc(c1)I)\C=C\C(=O)O MIX-0829 [0,1,0,0,0,0|0,0,0]=1
6  B10R1.66  c1cc(sc1)\C=C\C(=O)O MIX-0404 [0,0,0,0,1,0|1,0,0]=2
7  B13R1.3  CCc1ccc(cc1)\C=C\C(=O)O MIX-0410 [0,2,0,0,0,0|0,0,0]=2
8  B13R1.3  c1cc(ccc1C=O)OCC(=O)O MIX-0396 [0,2,0,0,0,0|1,0,1]=4
9  B13R1.132  c1cc(ccc1C(CC(=O)O)N)F BAA-0005 [0,2,0,0,0,0|0,0,2]=4
10  B13R1.164  Cc1ccc(c(c1)Br)\C=C\C(=O)O MIX-0418 [0,2,0,0,0,0|0,0,0]=2
11  B13R1.164  c1cc(c(cc1F)F)\C=C\C(=O)O MIX-0406 [0,2,0,0,0,0|0,0,0]=2
12  B13R1.147  c1cc(cc(c1)Br)C(CC(=O)O)N BAA-0006 [0,2,0,0,0,0|0,0,2]=4
13  B13R1.147  c1cc(cc(c1)F)C(CC(=O)O)N BAA-0054 [0,2,0,0,0,0|0,0,2]=4
14  B13R1.147  c1cc(cc(c1)I)C(CC(=O)O)N BAA-0039 [0,2,0,0,0,0|0,0,2]=4
15  B13R1.201  c1ccc(c(c1)C(CC(=O)O)N)Br BAA-0004 [0,2,0,0,0,0|0,0,2]=4
16  B13R1.90  CCc1ccccc1\C=C\C(=O)O MIX-0417 [0,2,0,0,0,0|0,0,0]=2
17  B13R1.150  Cc1cccc(c1C)\C=C\C(=O)O MIX-0420 [0,2,0,0,0,0|0,0,0]=2
18  B13R1.893  c1cc(c(cc1Br)\C=C\C(=O)O)F MIX-0401 [0,2,0,0,0,0|0,0,0]=2
19  B11R1.53  c1ccc(c(c1)C(=O)O)NN AHY-0132 [0,0,1,1,0,0|2,0,0]=4
20  B11R1.266  c1cc(cc(c1)NN)C(=O)O AHY-0080 [0,0,1,1,0,0|2,0,0]=4
21  B13R2.10  c1ccc(cc1)c2cnc([nH]2)N AIM-0001 [0,0,0,1,0,1|2,0,0]=4
22  B13R2.10  c1ccc(cc1)c2csc(n2)N ATI-0035 [0,0,0,1,0,1|2,0,0]=4
23  B13R2.72  c1ccc2c(c1)c(n[nH]2)C(=O)O IZA-0002 [0,0,0,1,0,1|1,0,0]=3
24  B13R2.435  B(c1cc2ccccc2s1)(O)O MIX-0093 [0,1,0,1,0,0|1,0,1]=4
25  B13R2.435  c1ccn2c(c1)cc(n2)C(=O)O MIX-0614 [0,1,0,1,0,0|1,0,0]=3
26  B13R2.435  c1ccn2cc(nc2c1)C(=O)O 2IP-0002 [0,1,0,1,0,0|1,0,0]=3
27  B13R2.435  c1cnc2nc(cn2c1)C(=O)O MIX-0587 [0,1,0,1,0,0|2,0,0]=4
28  B13R2.162  Cc1ccc2cccc(c2n1)Br MIX-0107 [0,1,0,1,0,0|2,0,0]=4
29  B9R1.6  B(c1ccccc1)(O)O MIX-0059 [0,0,0,0,2,0|1,0,1]=4
30  B9R1.13  c1ccn(c1)CC(=O)O PYR-1006 [0,0,0,0,2,0|1,0,1]=4