0  B11R1.1  C1=CC(=CC=C1C/C=N\O)O NPA021086 [0,1,0,0,0,0|1,0,2]=4
1  B11R1.24  CCCCC1=CC(=CC=C1)O NPA027803 [0,1,0,0,0,0|1,0,1]=3
2  B11R1.91  CC(=O)OCC1=CC=CC=C1 NPA015851 [0,1,0,0,0,0|1,0,0]=2
3  B8R1.2  C=CC1=CC=CC=C1 NPA015288 [2,0,0,0,0,0|0,0,1]=3
4  B8R1.2  COC1=CC=CC=C1 NPA018776 [2,0,0,0,0,0|1,0,0]=3
5  B10R0.4  C=C/C=C/C=C/CCC(=O)C NPA026362 [0,1,1,0,0,0|0,0,0]=2
6  B10R0.4  C=C/C=C/C=C\CCC(=O)C NPA026361 [0,1,1,0,0,0|0,0,0]=2
7  B10R1.1  OCCC1=CC=C(C=C1)O NPA032538 [1,1,0,0,0,0|0,0,1]=3
8  B10R1.4  C1=CC=C(C(=C1)CCO)O NPA006680 [1,1,0,0,0,0|0,0,1]=3
9  B10R1.4  C=COC1=CC=CC=C1C NPA027432 [1,1,0,0,0,0|1,0,1]=4
10  B10R1.10  CCCC1=CC=CC(=O)O1 NPA015262 [1,1,0,0,0,0|1,0,1]=4
11  B10R1.18  CC(=O)CC1=CC=CC=C1 NPA018784 [1,1,0,0,0,0|0,0,0]=2
12  B10R1.27  C1=C(NC=N1)CC(C=O)N NPA007283 [0,1,0,0,1,0|2,0,0]=4
13  B10R1.66  C1=C(N=CO1)CCC(=O)O NPA023423 [0,1,0,0,1,0|2,0,0]=4
14  B12R1.1  C1=CC(=CC=C1/C=C\NC=O)O NPA020914 [0,2,0,0,0,0|0,0,2]=4
15  B12R1.16  COC[C@H](O)C1=CC=C(C=C1)O NPA027821 [0,2,0,0,0,0|2,0,0]=4
16  B12R1.21  C1=CC(=CC=C1N=NC(=O)N)O NPA014946 [0,2,0,0,0,0|2,0,0]=4
17  B12R1.21  CC(=O)CCC1=CC=C(C=C1)O NPA010023 [0,2,0,0,0,0|0,0,0]=2
18  B12R1.49  C1=CC(=CC=C1C[C@H](CO)O)O NPA022620 [0,2,0,0,0,0|0,0,2]=4
19  B12R1.125  CC1=CC=CC=C1/C=C/C(=O)N NPA007174 [0,2,0,0,0,0|0,0,2]=4
20  B12R1.252  C1=CC=C(C=C1)/C=C/CC(=O)N NPA020154 [0,2,0,0,0,0|0,0,1]=3
21  B12R1.252  CC(=O)OCCC1=CC=CC=C1 NPA000631 [0,2,0,0,0,0|0,0,0]=2
22  B10R2.7  C1=CC=C2C(=C1)C=CN2 NPA011269 [1,0,0,1,0,0|1,0,1]=4
23  B12R2.1081  CN1C=CCC2=CC=CC=C12 NPA003151 [0,1,0,1,0,0|1,0,1]=4
24  B12R2.203  C1C2=C(C(=CC=C2)O)C(=O)O1 NPA000664 [0,1,0,1,0,0|1,0,0]=3
25  B12R2.612  C1=CC2=C(C=C1O)ONC2=O NPA020950 [0,1,0,1,0,0|2,0,0]=4
26  B12R2.1  C1=CC2=C(NN=C2C=C1)C=O NPA003012 [0,1,0,1,0,0|1,0,1]=4
27  B12R2.18  C1=CC=C2C(=C1)C(=O)C(=O)N2 NPA005025 [0,1,0,1,0,0|1,0,1]=4