0  B8R1.1  CCC1=CC=C(O1)C NPA011916 [0,0,0,0,0,0|1,0,0]=1
1  B7R1.1  CCC1=CC=CO1 NPA014078 [1,0,0,0,0,0|1,0,0]=2
2  B7R1.2  CC1=CC=C(O1)C NPA006894 [1,0,0,0,0,0|0,0,0]=1
3  B9R1.21  C1=C(OC(=C1)C=O)CO NPA000322 [0,1,0,0,0,0|2,0,0]=3
4  B9R1.21  OCC1=CC=C(O1)CO NPA034199 [0,1,0,0,0,0|2,0,0]=3
5  B9R1.35  CC1=CC=C(O1)C(=O)C NPA011986 [0,1,0,0,0,0|1,0,0]=2
6  B9R1.1  CCC1=NC=C(N=C1)C NPA012481 [0,0,0,0,0,1|3,0,0]=4
7  B9R1.2  CC1=CC(=CC=C1)OC NPA008038 [0,0,0,0,0,1|1,1,0]=3
8  B9R1.2  COC1=CC(=O)OC=C1 NPA036051 [0,0,0,0,0,1|2,1,0]=4
9  B6R0.4  C/C=C/C=C(C)C NPA005636 [1,0,1,0,0,0|1,0,0]=3
10  B6R0.4  CS/C=C/C(=O)O NPA005711 [1,0,1,0,0,0|1,0,0]=3
11  B8R1.7  CC(C)C1=CC=CO1 NPA006134 [1,1,0,0,0,0|1,0,0]=3
12  B8R1.8  COCC1=CC=CO1 NPA016568 [1,1,0,0,0,0|0,1,0]=3
13  B8R1.18  CC1=CC(=C(O1)C)C NPA002957 [1,1,0,0,0,0|0,0,0]=2
14  B10R1.3  COC1=CC=C(C=C1)OC NPA013417 [0,1,0,0,0,1|1,1,0]=4
15  B10R1.8  CC1=CC(=O)C=C(O1)CO NPA003503 [0,1,0,0,0,1|2,0,0]=4
16  B10R1.10  CCCC1=CC=CC(=O)O1 NPA015262 [0,1,0,0,0,1|2,0,0]=4
17  B10R1.30  CC1=CN=C(C(=N1)SC)C NPA007765 [0,1,0,0,0,1|1,0,0]=3
18  B10R1.30  CCC1=NC(=CN=C1C)C NPA001872 [0,1,0,0,0,1|2,0,0]=4
19  B10R1.113  CC1=CC=CC(=C1)C(=O)C NPA016953 [0,1,0,0,0,1|2,0,0]=4
20  B10R1.172  COC1=CC(=CC=C1)OC NPA000357 [0,1,0,0,0,1|1,1,0]=4
21  B8R1.5  CC1=C(C=CC=N1)O NPA031163 [0,0,1,1,0,0|2,0,0]=4
22  B8R1.5  CC1=CC=CC=C1O NPA000242 [0,0,1,1,0,0|1,0,1]=4