0  B10R0.31  C[N+](C)(C)C[C@H](O)CC(O)=O      AK101175 [0,0,0,0,0,0|0,0,1]=1
1  B10R0.31  C[N+](C)(C)C[C@H](O)CC(O)=O      AK164495 [0,0,0,0,0,0|0,0,1]=1
2  B10R0.31  OC(C[N+](C)(C)C)CC([O-])=O      AK113129 [0,0,0,0,0,0|0,0,0]=0
3  B10R0.31  OC(C[N+](C)(C)C)CC([O-])=O      AK163426 [0,0,0,0,0,0|0,0,0]=0
4  B9R0.53  CC(C)CC(N)CC(O)=O      AK-34862 [1,0,0,0,0,0|2,0,1]=4
5  B9R0.53  CC(C)C[C@H](N)CC(O)=O      AK-44602 [1,0,0,0,0,0|2,0,1]=4
6  B9R0.53  CC(C)C[C@H](N)CC(O)=O      AK-89143 [1,0,0,0,0,0|2,0,1]=4
7  B9R0.56  CC(=O)SCC[N+](C)(C)C      AK-47972 [1,0,0,0,0,0|2,0,0]=3
8  B9R0.56  C[N+](C)(C)CCOC(C)=O      AK307467 [1,0,0,0,0,0|2,0,0]=3
9  B9R0.56  O=C([O-])CCN[N+](C)(C)C      AK276866 [1,0,0,0,0,0|1,0,0]=2
10  B9R0.57  CC(C)(C)C[C@@H](N)C(O)=O      AK130118 [0,0,0,0,1,0|2,0,1]=4
11  B11R0.337  O=C(O)C[C@@H](N)COC(C)(C)C      AK481190 [0,0,0,0,0,1|2,0,1]=4
12  B8R0.24  C[N+](C)(C)CC(O)CCl      AK117117 [2,0,0,0,0,0|1,0,0]=3
13  B8R0.24  C[N+](C)(C)CC(O)CO      AK544946 [2,0,0,0,0,0|0,0,1]=3
14  B8R0.28  O=C(O)CCCN(C)C      AK-50053 [2,0,0,0,0,0|0,0,2]=4
15  B10R0.113  O=P([O-])([O-])OCC[N+](C)(C)C      AK548488 [1,1,0,0,0,0|2,0,0]=4
16  B10R1.329  O=C1CC(C)(C)CC(C)C1      AK122426 [1,0,0,1,0,0|2,0,0]=4
17  B10R1.350  O=C(O)CCCC1(C)CC1      AK137230 [1,0,0,1,0,0|1,0,1]=4
18  B8R0.23  CC(C)C[C@@H](O)C(O)=O      AK-90931 [1,0,0,0,1,0|1,0,1]=4
19  B8R0.23  CC(C)C[C@H](O)C(O)=O      AK-58745 [1,0,0,0,1,0|1,0,1]=4
20  B8R0.27  CC(C)(C)[C@H](O)C(O)=O      AK135563 [0,0,0,0,2,0|1,0,1]=4