0  B11R1.280  COC1=C(C=CC(=C1)C=O)Cl NPA005101 [0,0,0,0,0,0|1,0,0]=1
1  B10R1.30  C1=C(C(=COC1=O)O)CO NPA004068 [1,0,0,0,0,0|3,0,0]=4
2  B10R1.30  COC1=CC(=O)OCC1O NPA011527 [1,0,0,0,0,0|1,0,2]=4
3  B10R1.172  COC1=CC(=CC=C1)OC NPA000357 [1,0,0,0,0,0|2,0,0]=3
4  B10R1.176  OCC1=CC(=C(C=C1)O)O NPA032543 [1,0,0,0,0,0|0,0,2]=3
5  B12R1.56  C1=CC(=C(C=C1C(=O)N)N=O)O NPA016795 [0,1,0,0,0,0|2,0,0]=3
6  B12R1.56  COC1=C(C=CC(=C1)C(=O)O)O NPA011303 [0,1,0,0,0,0|0,0,0]=1
7  B9R1.2  CC1=CC(=CC=C1)OC NPA008038 [2,0,0,0,0,0|0,0,1]=3
8  B9R1.2  COC1=CC(=O)OC=C1 NPA036051 [2,0,0,0,0,0|1,0,0]=3
9  B9R1.2  OCC1=CC(=CC=C1)O NPA032542 [2,0,0,0,0,0|0,0,2]=4
10  B9R1.15  CCC1=CC=CC=C1C NPA019124 [2,0,0,0,0,0|2,0,0]=4
11  B9R1.69  OC1=CC(=C(C=C1)O)O NPA032540 [2,0,0,0,0,0|0,0,1]=3
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  B11R1.8  CC1=CC(=C(C(=C1)OC)O)O NPA016178 [1,1,0,0,0,0|0,0,1]=3
15  B11R1.277  CC1=CC(=O)C(=CC1=O)OC NPA006462 [1,1,0,0,0,0|0,0,1]=3
16  B11R1.277  COC1=C(C=C(C(=C1)C)C)C NPA028052 [1,1,0,0,0,0|1,0,1]=4
17  B11R1.266  CC(=O)C1=CC=CC(=C1)C=O NPA006924 [1,1,0,0,0,0|1,0,0]=3
18  B11R1.21  C1=CC(=C(C=C1C(=O)O)Cl)O NPA011566 [1,1,0,0,0,0|1,0,0]=3
19  B11R1.21  C1=CC(=C(C=C1[N+](=O)[O-])Cl)O NPA013732 [1,1,0,0,0,0|2,0,0]=4
20  B11R1.279  COC1=C(C=C(C=C1)C=O)Br NPA014244 [1,1,0,0,0,0|1,0,0]=3
21  B11R1.279  COC1=C(C=C(C=C1)C=O)Cl NPA003786 [1,1,0,0,0,0|1,0,0]=3
22  B13R1.13  C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])O NPA006255 [0,2,0,0,0,0|2,0,0]=4
23  B13R1.49  COC1=C(C=CC(=C1)C(=O)CO)O NPA009378 [0,2,0,0,0,0|0,0,0]=2
24  B13R1.3230  COC1=C(C=CC(=C1O)C(=O)N)O NPA000072 [0,2,0,0,0,0|0,0,0]=2
25  B13R1.575  COC1=C(C=CC(=C1)/C=C/C=O)O NPA000767 [0,2,0,0,0,0|0,0,0]=2
26  B13R1.575  COC1=C(C=CC(=C1)/C=C/CO)O NPA019705 [0,2,0,0,0,0|0,0,1]=3
27  B13R1.424  CC1=CC(=C(C(=C1O)OC)O)OC NPA003501 [0,2,0,0,0,0|2,0,0]=4
28  B13R1.433  COC1=CC(=CC(=C1Cl)OC)C=O NPA002948 [0,2,0,0,0,0|1,0,0]=3
29  B11R1.852  COC(=O)C1=CC=CC=CO1 NPA009846 [0,0,1,1,0,0|2,0,0]=4
30  B9R1.21  CCC1=CNC(=C1)C=O NPA002721 [1,0,0,0,1,0|2,0,0]=4