0  B8R1.7  C1=CN=C(N1)[N+](=O)[O-] NPA018700 [0,0,0,0,0,0|3,0,0]=3
1  B8R1.7  C1=CNC(=C1)C(=O)N NPA022114 [0,0,0,0,0,0|1,0,0]=1
2  B8R1.7  CC(C)C1=CC=CO1 NPA006134 [0,0,0,0,0,0|2,0,1]=3
3  B8R1.7  O=C(O)C1=CN=CN1 NPA032468 [0,0,0,0,0,0|2,0,0]=2
4  B7R1.1  CCC1=CC=CO1 NPA014078 [1,0,0,0,0,0|1,0,1]=3
5  B9R1.11  C1=COC(=C1)[C@@H](CO)O NPA008616 [0,1,0,0,0,0|1,0,2]=4
6  B9R1.35  CC(C)[C@H]1C=CC(=O)N1 NPA036371 [0,1,0,0,0,0|1,0,2]=4
7  B9R1.35  CC1=CC=C(O1)C(=O)C NPA011986 [0,1,0,0,0,0|1,0,0]=2
8  B9R1.35  CC1=NC=C(N1)C(=O)O NPA032469 [0,1,0,0,0,0|2,0,0]=3
9  B9R1.41  CC1=CNC=C1C(=O)C NPA004787 [0,1,0,0,0,0|2,0,0]=3
10  B9R1.6  C1=CC=C(C=C1)C(=O)O NPA008069 [0,0,0,0,0,1|2,0,0]=3
11  B6R0.4  C/C=C/C=C(C)C NPA005636 [1,0,1,0,0,0|1,0,1]=4
12  B8R1.1  CCC1=CC=C(O1)C NPA011916 [1,1,0,0,0,0|1,0,1]=4
13  B8R1.8  COCC1=CC=CO1 NPA016568 [1,1,0,0,0,0|1,0,1]=4
14  B10R1.13  C1=CC(=CC=C1C(=O)N)O NPA016028 [0,1,0,0,0,1|2,0,0]=4
15  B10R1.15  CSC(=O)C1=CC=CC=C1 NPA006840 [0,1,0,0,0,1|1,0,0]=3
16  B10R1.61  C1=CC=C(C(=C1)C(=O)N)O NPA022113 [0,1,0,0,0,1|2,0,0]=4
17  B10R1.61  CC(=O)C1=CC=CC=C1N NPA005121 [0,1,0,0,0,1|1,0,0]=3
18  B10R1.113  C1=CC(=CC(=C1)O)C(=O)O NPA007061 [0,1,0,0,0,1|2,0,0]=4
19  B10R1.113  C1C(C=CC=C1C(=O)O)N NPA013886 [0,1,0,0,0,1|2,0,0]=4
20  B10R1.113  CC1=CC=CC(=C1)C(=O)C NPA016953 [0,1,0,0,0,1|1,0,0]=3
21  B10R1.31  CC(=O)C1=CNC(=C1)CO NPA001194 [0,2,0,0,0,0|2,0,0]=4
22  B8R1.5  CC1=C(C=CC=N1)O NPA031163 [0,0,1,1,0,0|2,0,0]=4
23  B8R1.5  CC1=CC=CC=C1O NPA000242 [0,0,1,1,0,0|2,0,0]=4
24  B8R1.2  C=CC1=CC=CC=C1 NPA015288 [1,0,0,0,0,1|1,0,1]=4
25  B8R1.2  COC1=CC=CC=C1 NPA018776 [1,0,0,0,0,1|2,0,0]=4
26  B10R1.18  CC(=O)CC1=CC=CC=C1 NPA018784 [0,0,0,0,0,2|1,0,0]=3
27  B10R1.66  C1=C(NC=N1)/C=C/C(=O)O NPA010452 [0,0,0,0,0,2|2,0,0]=4