0  B9R0.56  CC(=O)OCC[N+](C)(C)C 00003 [0,0,0,0,0,0|0,0,0]=0
1  B9R0.56  CC(=O)OCC[N+](C)(C)C 00770 [0,0,0,0,0,0|0,0,0]=0
2  B9R0.56  CC(=O)SCC[N+](C)(C)C 21751 [0,0,0,0,0,0|0,1,0]=1
3  B9R0.56  CC(=O)SCC[N+](C)(C)C 22049 [0,0,0,0,0,0|0,1,0]=1
4  B10R0.31  CC(=O)OC(C)C[N+](C)(C)C 21968 [0,1,0,0,0,0|0,0,0]=1
5  B10R0.31  CC(=O)SC(C)C[N+](C)(C)C 21423 [0,1,0,0,0,0|0,1,0]=2
6  B10R0.31  C[N+](C)(C)CC(O)CC(=O)O 22000 [0,1,0,0,0,0|2,0,0]=3
7  B10R0.31  C[N+](C)(C)C[C@@H](O)CC(=O)O 01876 [0,1,0,0,0,0|2,0,0]=3
8  B10R0.31  C[N+](C)(C)C[C@H](O)CC(=O)O 01875 [0,1,0,0,0,0|2,0,0]=3
9  B10R0.31  C[N+](C)(C)C[C@H](O)CC(=O)O 21526 [0,1,0,0,0,0|2,0,0]=3
10  B10R0.31  C[N+](C)(C)C[C@H](O)CC(=O)[O-] 00053 [0,1,0,0,0,0|2,0,0]=3
11  B10R0.60  CCC(=O)SCC[N+](C)(C)C 21476 [0,1,0,0,0,0|0,1,0]=2
12  B10R1.55  CC(C)(C)[C@H]1COC(=O)N1 29790 [0,0,0,1,0,0|2,0,0]=3
13  B8R0.29  CC(=O)ONC(C)(C)C 31264 [0,0,0,0,1,0|2,0,0]=3
14  B7R0.4  CN(C)CCCC=O 18994 [2,0,0,0,0,0|1,0,1]=4
15  B9R0.57  CC(C)(C)CC(N)C(=O)O 06236 [0,1,0,0,1,0|2,0,0]=4
16  B9R0.57  CC(C)(C)C[C@@H](N)C(=O)O 06235 [0,1,0,0,1,0|2,0,0]=4
17  B9R0.57  CC(C)(C)C[C@H](N)C(=O)O 06234 [0,1,0,0,1,0|2,0,0]=4
18  B11R0.199  CC(C)(C)OCCOS(C)(=O)=O 24076 [0,1,0,0,0,1|2,0,0]=4
19  B11R0.180  CCCC(=O)OCC[N+](C)(C)C 21205 [0,2,0,0,0,0|0,0,0]=2
20  B11R0.180  CCCC(=O)OCC[N+](C)(C)C 21772 [0,2,0,0,0,0|0,0,0]=2
21  B11R0.180  CCCC(=O)SCC[N+](C)(C)C 21504 [0,2,0,0,0,0|0,1,0]=3
22  B11R0.180  CCCC(=O)SCC[N+](C)(C)C 22062 [0,2,0,0,0,0|0,1,0]=3
23  B9R1.66  CC1(O)CCOC(=O)C1 21625 [1,0,0,1,0,0|2,0,0]=4
24  B9R1.35  CC(C)[C@@H]1COC(=O)N1 16579 [1,0,0,1,0,0|2,0,0]=4
25  B9R1.35  CC(C)[C@H]1COC(=O)N1 16591 [1,0,0,1,0,0|2,0,0]=4
26  B7R0.6  CC(=O)CCC(C)=O 27195 [1,0,0,0,1,0|2,0,0]=4
27  B7R0.9  CC(=O)OC(C)(C)C 06819 [0,0,0,0,2,0|1,0,0]=3
28  B7R0.9  CC(C)(C)OC(N)=O 31379 [0,0,0,0,2,0|2,0,0]=4
29  B7R0.9  C[N+](C)(C)CC(=O)O 29816 [0,0,0,0,2,0|1,0,0]=3
30  B7R0.9  C[N+](C)(C)CC(=O)[O-] 00661 [0,0,0,0,2,0|1,0,0]=3
31  B7R0.9  C[N+](C)(C)CC(=O)[O-] 30723 [0,0,0,0,2,0|1,0,0]=3