0  B9R0.56  CC(=O)OCC[N+](C)(C)C C01996 [0,0,0,0,0,0|0,0,0]=0
1  B9R0.56  CC(=O)OCC[N+](C)(C)C C08201 [0,0,0,0,0,0|0,0,0]=0
2  B9R0.56  C[N+](C)(C)CCCC(=O)O C01181 [0,0,0,0,0,0|2,0,0]=2
3  B9R0.56  C[N+](C)(C)C\C=C\C(=O)[O-] C04114 [0,0,0,0,0,0|2,0,1]=3
4  B9R0.56  [*]C(=O)OCC[N+](C)(C)C C01777 [0,0,0,0,0,0|1,0,0]=1
5  B8R0.21  C[N+](C)(C)CCCC=O C01149 [1,0,0,0,0,0|1,0,0]=2
6  B8R0.28  CC(=O)CCC=C(C)C C07287 [1,0,0,0,0,0|2,0,1]=4
7  B8R0.28  CC(=O)OCCC(C)C C12296 [1,0,0,0,0,0|1,0,0]=2
8  B8R0.28  CC(=O)OC\N=[N+](\C)[O-] C19258 [1,0,0,0,0,0|2,0,1]=4
9  B10R0.31  CC(=O)OC(C)C[N+](C)(C)C C07471 [0,1,0,0,0,0|0,0,0]=1
10  B10R0.31  CC(C[N+](C)(C)C)OC(N)=O C06850 [0,1,0,0,0,0|1,0,0]=2
11  B10R0.31  CC(C[N+](C)(C)C)OC(N)=O C08202 [0,1,0,0,0,0|1,0,0]=2
12  B10R0.31  C[N+](C)(C)CC(=O)CC(=O)O C02636 [0,1,0,0,0,0|2,0,1]=4
13  B10R0.31  C[N+](C)(C)CC(O)CC(=O)O C00487 [0,1,0,0,0,0|2,0,0]=3
14  B10R0.31  C[N+](C)(C)C[C@@H](O)CC(=O)[O-] C15025 [0,1,0,0,0,0|2,0,0]=3
15  B10R0.31  C[N+](C)(C)C[C@H](O)CC(=O)[O-] C00318 [0,1,0,0,0,0|2,0,0]=3
16  B10R0.31  C[N+](C)(C)C[C@H](O)CC(N)=O C02290 [0,1,0,0,0,0|2,0,0]=3
17  B10R0.113  C[N+](C)(C)CCOP(=O)(O)O C00588 [0,1,0,0,0,0|2,0,0]=3
18  B10R0.113  C[N+](C)(C)CCOS(=O)(=O)[O-] C00919 [0,1,0,0,0,0|2,0,0]=3
19  B8R0.29  C[N+](C)(C)CCC(=O)[O-] C08263 [0,0,0,0,1,0|1,0,0]=2
20  B7R0.4  CC(C)CCOC=O C12293 [2,0,0,0,0,0|1,0,0]=3
21  B7R0.4  CC(C)CCON=O C07457 [2,0,0,0,0,0|2,0,0]=4
22  B7R0.4  CCCCCC(C)=O C08380 [2,0,0,0,0,0|2,0,0]=4
23  B7R0.4  CCCCOC(C)=O C12304 [2,0,0,0,0,0|1,0,0]=3
24  B9R0.77  C[N+](C)(C)CCP(=O)(O)O C06459 [0,1,0,0,1,0|2,0,0]=4
25  B11R0.308  C[N+](C)(C)C[C@H](O)[C@@H](O)C(=O)[O-] C16994 [0,2,0,0,0,0|2,0,0]=4
26  B7R0.6  CC(C)CCC(=O)O C21399 [1,0,0,0,1,0|2,0,0]=4
27  B7R0.6  C[S+](C)CCC(=O)[O-] C04022 [1,0,0,0,1,0|2,0,0]=4
28  B7R0.9  CC(O)C[N+](C)(C)C C02224 [0,0,0,0,2,0|0,0,2]=4
29  B7R0.9  C[As+](C)(C)CC(=O)[O-] C19331 [0,0,0,0,2,0|1,1,0]=4
30  B7R0.9  C[N+](C)(C)CC(=O)[O-] C00719 [0,0,0,0,2,0|1,0,0]=3