0  B11R1.3  CNC1=CC=C(C=C1)C(=O)N NPA022112 [0,0,0,0,0,0|2,0,0]=2
1  B10R1.3  COC1=CC=C(C=C1)OC NPA013417 [1,0,0,0,0,0|1,0,0]=2
2  B10R1.13  C1=CC(=CC=C1C(=O)N)O NPA016028 [1,0,0,0,0,0|1,0,0]=2
3  B12R1.5  CCC1=CC=C(C=C1)C(CO)O NPA006054 [0,1,0,0,0,0|1,0,2]=4
4  B12R1.5  COC1=CC=C(C=C1)C(CO)O NPA004620 [0,1,0,0,0,0|0,0,2]=3
5  B12R1.5  COC1=CC=C(C=C1)[C@@H](O)CO NPA031787 [0,1,0,0,0,0|0,0,2]=3
6  B12R1.48  CC(=O)C1=CC=C(C(=O)O1)CO NPA005016 [0,1,0,0,0,0|3,0,0]=4
7  B12R1.48  CCC1=CC=C(OC1=O)C(=O)C NPA026131 [0,1,0,0,0,0|2,0,0]=3
8  B12R1.452  COC1=CC(=C(C=C1)C(=O)N)O NPA003894 [0,1,0,0,0,0|1,0,0]=2
9  B10R1.31  CC(=O)C1=CNC(=C1)CO NPA001194 [0,0,0,0,1,0|3,0,0]=4
10  B12R1.4  COC1=CC=C(C=C1)NC(=O)C NPA031034 [0,0,0,0,0,1|0,0,0]=1
11  B9R0.1  C/C=C(/C)\C=C\C=C(C)C NPA004953 [1,0,1,0,0,0|1,0,1]=4
12  B9R1.1  C1=CC(=CC=C1[N+]#N)O NPA002101 [2,0,0,0,0,0|2,0,0]=4
13  B9R1.1  O=CC1=CC=C(C=C1)O NPA032546 [2,0,0,0,0,0|0,0,0]=2
14  B9R1.6  C1=CC=C(C=C1)C(=O)O NPA008069 [2,0,0,0,0,0|1,0,0]=3
15  B11R1.279  COC1=C(C=C(C=C1)C=O)Br NPA014244 [1,1,0,0,0,0|0,0,0]=2
16  B11R1.279  COC1=C(C=C(C=C1)C=O)Cl NPA003786 [1,1,0,0,0,0|0,0,0]=2
17  B11R1.279  COC1=C(C=C(C=C1)CO)Br NPA009653 [1,1,0,0,0,0|0,0,2]=4
18  B11R1.279  COC1=C(C=C(C=C1)CO)Cl NPA016188 [1,1,0,0,0,0|0,0,2]=4
19  B11R1.21  C1=CC(=C(C=C1C(=O)O)Cl)O NPA011566 [1,1,0,0,0,0|1,0,0]=3
20  B11R1.21  C1=CC(=C(C=C1[N+](=O)[O-])Cl)O NPA013732 [1,1,0,0,0,0|2,0,0]=4
21  B11R1.21  CC1=CC=C(OC1=O)C(=O)C NPA003401 [1,1,0,0,0,0|1,0,0]=3
22  B11R1.22  OC[C@H](O)C1=CC=C(C=C1)O NPA027819 [1,1,0,0,0,0|0,0,2]=4
23  B11R1.166  C1=CC(=C(C=C1Cl)Cl)C(=O)O NPA001349 [1,1,0,0,0,0|2,0,0]=4
24  B13R1.36  C[C@H]([C@H](C1=CC=C(C=C1)OC)O)O NPA000306 [0,1,0,0,0,1|0,0,2]=4
25  B13R1.537  CC(=O)C1=CC=C(C=C1)[C@@H](CO)O NPA016997 [0,2,0,0,0,0|1,0,0]=3
26  B13R1.120  CC(=O)C1=C(C=C(C=C1)C(=O)O)O NPA026040 [0,2,0,0,0,0|2,0,0]=4
27  B13R1.3096  COC1=C(C(=C(C=C1)C(=O)N)O)N NPA017794 [0,2,0,0,0,0|1,0,0]=3
28  B13R1.3380  COC1=C(C=C(C=C1Br)C(=O)O)Br NPA025876 [0,2,0,0,0,0|1,0,0]=3
29  B9R1.21  CCC1=CNC(=C1)C=O NPA002721 [1,0,0,0,1,0|2,0,0]=4
30  B9R1.35  CC1=CC=C(O1)C(=O)C NPA011986 [1,0,0,0,1,0|1,0,0]=3
31  B11R1.20  C1=CC(=CC=C1CC(=O)N)O NPA016090 [1,0,0,0,0,1|1,0,0]=3
32  B11R1.20  O=C(O)CC1=CC=C(C=C1)O NPA032547 [1,0,0,0,0,1|1,0,0]=3
33  B11R1.266  CC(=O)C1=CC=CC(=C1)C=O NPA006924 [0,0,0,0,1,1|2,0,0]=4