0  B9R1.1  C1=CC(=CC=C1[N+]#N)O NPA002101 [0,0,0,0,0,0|2,0,0]=2
1  B9R1.1  CCC1=NC=C(N=C1)C NPA012481 [0,0,0,0,0,0|4,0,0]=4
2  B9R1.1  O=CC1=CC=C(C=C1)O NPA032546 [0,0,0,0,0,0|0,0,2]=2
3  B8R1.2  C=CC1=CC=CC=C1 NPA015288 [1,0,0,0,0,0|1,0,1]=3
4  B8R1.2  COC1=CC=CC=C1 NPA018776 [1,0,0,0,0,0|2,0,0]=3
5  B10R1.1  OCCC1=CC=C(C=C1)O NPA032538 [0,1,0,0,0,0|0,0,0]=1
6  B10R1.3  C1=CC(=CC=C1CO)[N+]#N NPA009452 [0,1,0,0,0,0|1,0,0]=2
7  B10R1.3  COC1=CC=C(C=C1)OC NPA013417 [0,1,0,0,0,0|2,0,0]=3
8  B10R1.13  C1=CC(=CC=C1C(=O)N)O NPA016028 [0,1,0,0,0,0|0,0,2]=3
9  B10R1.25  C=CC1=C(C=C(C=C1)O)O NPA017935 [0,1,0,0,0,0|1,0,1]=3
10  B10R1.176  O=C1C=C(OC=C1O)CO NPA028615 [0,1,0,0,0,0|1,0,0]=2
11  B10R1.176  OCC1=CC(=C(C=C1)O)O NPA032543 [0,1,0,0,0,0|0,0,0]=1
12  B8R1.1  CCC1=CC=C(O1)C NPA011916 [0,0,0,0,1,0|3,0,0]=4
13  B9R1.2  CC1=CC(=CC=C1)OC NPA008038 [1,1,0,0,0,0|2,0,0]=4
14  B9R1.2  OCC1=CC(=CC=C1)O NPA032542 [1,1,0,0,0,0|0,0,0]=2
15  B9R1.6  C1=CC=C(C=C1)C(=O)O NPA008069 [1,1,0,0,0,0|0,0,1]=3
16  B9R1.15  CCC1=CC=CC=C1C NPA019124 [1,1,0,0,0,0|1,0,0]=3
17  B9R1.69  OC1=CC(=C(C=C1)O)O NPA032540 [1,1,0,0,0,0|0,0,0]=2
18  B9R1.21  C1=C(OC(=C1)C=O)CO NPA000322 [0,1,0,0,1,0|1,0,1]=4
19  B9R1.21  OCC1=CC=C(O1)CO NPA034199 [0,1,0,0,1,0|1,0,0]=3
20  B11R1.1  C1=CC(=CC=C1C/C=N\O)O NPA021086 [0,2,0,0,0,0|0,0,0]=2
21  B11R1.20  C1=CC(=CC=C1CC(=O)N)O NPA016090 [0,2,0,0,0,0|0,0,1]=3
22  B11R1.20  O=C(O)CC1=CC=C(C=C1)O NPA032547 [0,2,0,0,0,0|0,0,0]=2
23  B11R1.22  OC[C@H](O)C1=CC=C(C=C1)O NPA027819 [0,2,0,0,0,0|0,0,0]=2
24  B11R1.279  COC1=C(C=C(C=C1)C=O)Br NPA014244 [0,2,0,0,0,0|0,0,2]=4
25  B11R1.279  COC1=C(C=C(C=C1)C=O)Cl NPA003786 [0,2,0,0,0,0|0,0,2]=4
26  B11R1.279  COC1=C(C=C(C=C1)CO)Br NPA009653 [0,2,0,0,0,0|0,0,0]=2
27  B11R1.279  COC1=C(C=C(C=C1)CO)Cl NPA016188 [0,2,0,0,0,0|0,0,0]=2
28  B11R1.21  C1=CC(=C(C=C1C(=O)O)Cl)O NPA011566 [0,2,0,0,0,0|0,0,1]=3
29  B11R1.21  C1=CC(=C(C=C1[N+](=O)[O-])Cl)O NPA013732 [0,2,0,0,0,0|1,0,1]=4
30  B11R1.166  C1=CC(=C(C=C1Cl)Cl)C(=O)O NPA001349 [0,2,0,0,0,0|1,0,1]=4
31  B11R1.464  CC1=CC(=CC(=C1C=O)O)O NPA017284 [0,2,0,0,0,0|0,0,2]=4
32  B11R1.280  C1=CC(=CC(=NO)C1O)CO NPA020576 [0,2,0,0,0,0|0,0,1]=3
33  B9R1.3  C1=CC(=C(C(=C1)O)O)O NPA005967 [0,0,1,1,0,0|1,0,1]=4
34  B7R1.1  CCC1=CC=CO1 NPA014078 [1,0,0,0,1,0|2,0,0]=4
35  B7R1.2  CC1=CC=C(O1)C NPA006894 [1,0,0,0,1,0|2,0,0]=4