0  B7R0.9  CC(=O)CC(C)(C)N BBP01274 [0,0,0,0,0,0|3,0,0]=3
1  B7R0.9  CC(C)(O)CC(=O)O T0613 [0,0,0,0,0,0|2,0,0]=2
2  B7R0.9  C[N+](C)(C)CC(=O)O T0019 [0,0,0,0,0,0|0,0,0]=0
3  B7R0.9  C[N+](C)(C)CC(=O)[O-] T3243 [0,0,0,0,0,0|0,0,1]=1
4  B7R0.9  O=C(O)CP(=O)(O)O T4729 [0,0,0,0,0,0|3,1,0]=4
5  B6R0.2  CC(C)=CC(=O)O BBP04714 [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|2,0,0]=3
8  B8R0.27  CC(C)(S)[C@@H](N)C(=O)O T0983 [0,1,0,0,0,0|2,0,0]=3
9  B6R0.7  CC(C)(N)C(=O)O T4831 [0,0,0,0,1,0|2,0,0]=3
10  B6R0.7  CC(C)(O)C(=O)O T4787 [0,0,0,0,1,0|2,0,0]=3
11  B5R0.1  CCCC(=O)O T3943 [2,0,0,0,0,0|1,0,0]=3
12  B5R0.1  NCCC(=O)O T0627 [2,0,0,0,0,0|2,0,0]=4
13  B7R0.2  COC(=O)CC(C)=O T4851 [1,1,0,0,0,0|2,0,0]=4
14  B7R0.16  CC(C)[C@H](N)C(=O)O T2O2776 [1,1,0,0,0,0|1,0,0]=3
15  B7R0.16  C[C@@H](O)[C@H](N)C(=O)O T2O2777 [1,1,0,0,0,0|2,0,0]=4
16  B7R1.19  NC1(C(=O)O)CC1 T4752 [0,0,0,1,1,0|2,0,0]=4
17  B9R1.66  CC1(O)CCOC(=O)C1 T1353 [0,1,0,1,0,0|2,0,0]=4
18  B9R1.138  CC1(C)COC(=O)[C@@H]1O T4828 [0,1,0,1,0,0|1,0,0]=3
19  B5R0.5  CC(=O)C(=O)O T4804 [1,0,0,0,1,0|2,0,0]=4
20  B5R0.5  CC(C)C(=O)O T4769 [1,0,0,0,1,0|1,0,0]=3
21  B5R0.5  C[C@@H](N)C(=O)O T4811 [1,0,0,0,1,0|2,0,0]=4
22  B5R0.5  C[C@H](N)C(=O)O TJO2729 [1,0,0,0,1,0|2,0,0]=4
23  B5R0.5  C[C@H](O)C(=O)O T4845 [1,0,0,0,1,0|2,0,0]=4
24  B7R0.6  CC(=O)NCC(=O)O T4822 [1,0,0,0,0,1|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