0  B7R0.9  CC(C)(O)CC(=O)O T0613 [0,0,0,0,0,0|2,0,1]=3
1  B7R0.9  C[N+](C)(C)CC(=O)O T0019 [0,0,0,0,0,0|0,0,1]=1
2  B7R0.9  C[N+](C)(C)CC(=O)[O-] T3243 [0,0,0,0,0,0|0,0,0]=0
3  B6R0.2  CC(=O)CC(=O)[O-] T4854 [1,0,0,0,0,0|2,0,0]=3
4  B6R0.2  CC(C)=CC(=O)O T5305 [1,0,0,0,0,0|1,0,2]=4
5  B6R0.2  CC(C)CC(=O)O T5609 [1,0,0,0,0,0|1,0,1]=3
6  B6R0.2  CC(C)CC(N)=O T0361 [1,0,0,0,0,0|2,0,0]=3
7  B6R0.2  CC(O)CC(=O)O T4947 [1,0,0,0,0,0|2,0,1]=4
8  B6R0.2  CN(C)CC(=O)O T4120 [1,0,0,0,0,0|0,0,2]=3
9  B6R0.2  C[C@@H](O)CC(=O)O T5248 [1,0,0,0,0,0|2,0,1]=4
10  B6R0.2  C[C@H](O)CC(=O)O T13979 [1,0,0,0,0,0|2,0,1]=4
11  B6R0.5  C[N+](C)(C)CCO T1039 [1,0,0,0,0,0|0,0,2]=3
12  B6R0.5  C[N+](C)(C)CCO T14341 [1,0,0,0,0,0|0,0,2]=3
13  B8R0.27  CC(C)(S)C(N)C(=O)O T0983L [0,1,0,0,0,0|2,0,1]=4
14  B8R0.27  CC(C)(S)[C@@H](N)C(=O)O T0983 [0,1,0,0,0,0|2,0,1]=4
15  B6R0.7  CC(C)(N)C(=O)O T4831 [0,0,0,0,1,0|2,0,1]=4
16  B6R0.7  CC(C)(O)C(=O)O T4787 [0,0,0,0,1,0|2,0,1]=4
17  B5R0.1  CCCC(=O)[O-] T1393 [2,0,0,0,0,0|1,0,0]=3
18  B5R0.1  CNCC(=O)O T6975 [2,0,0,0,0,0|0,0,2]=4
19  B7R0.16  CC(C)C(O)C(=O)O T5273 [1,1,0,0,0,0|1,0,1]=4
20  B7R0.16  CC(C)[C@H](N)C(=O)O T2O2776 [1,1,0,0,0,0|1,0,1]=4
21  B9R1.138  CC1(C)COC(=O)[C@@H]1O T4828 [0,1,0,1,0,0|1,0,1]=4
22  B5R0.5  CC(=O)C(=O)[O-] T7717 [1,0,0,0,1,0|2,0,0]=4
23  B5R0.5  C[C@@H](O)C(=O)[O-] T5220 [1,0,0,0,1,0|2,0,0]=4
24  B5R0.5  C[C@H](O)C(=O)[O-] T4103 [1,0,0,0,1,0|2,0,0]=4
25  B9R0.56  CC(=O)OCC[N+](C)(C)C T1221 [0,0,0,0,0,2|1,0,0]=3
26  B9R0.56  CC(=O)OCC[N+](C)(C)C T6751 [0,0,0,0,0,2|1,0,0]=3
27  B9R0.56  C[N+](C)(C)CCCC(=O)O T4702 [0,0,0,0,0,2|0,0,1]=3
28  B9R0.56  C[N+](C)(C)NCCC(=O)[O-] T3268 [0,0,0,0,0,2|0,0,0]=2
29  B9R0.56  C[N+](C)(C)NCCC(=O)[O-] T6586 [0,0,0,0,0,2|0,0,0]=2