0  B7R0.6  CC(=O)NCC(=O)O T4822 [0,0,0,0,0,0|3,0,1]=4
1  B6R0.4  CCCCC(=O)O T4792 [1,0,0,0,0,0|2,0,0]=3
2  B6R0.4  NCCCC(=O)O T0508 [1,0,0,0,0,0|3,0,0]=4
3  B8R0.9  COC(=O)CCC(C)=O BBP00556 [0,1,0,0,0,0|2,0,1]=4
4  B8R0.23  CC(C)CC(=O)C(=O)O T5071 [0,1,0,0,0,0|2,0,0]=3
5  B8R0.23  CC(C)CC(N)C(=O)O T4772 [0,1,0,0,0,0|2,0,0]=3
6  B8R0.23  CC(C)C[C@H](N)C(=O)O T3O2749 [0,1,0,0,0,0|2,0,0]=3
7  B6R0.2  CC(C)=CC(=O)O BBP04714 [0,0,0,0,1,0|1,0,2]=4
8  B6R0.2  CC(C)CC(N)=O T0361 [0,0,0,0,1,0|1,0,0]=2
9  B6R0.2  CC(O)CC(=O)O T4947 [0,0,0,0,1,0|2,0,0]=3
10  B5R0.1  CCCC(=O)O T3943 [2,0,0,0,0,0|1,0,0]=3
11  B5R0.1  NCCC(=O)O T0627 [2,0,0,0,0,0|2,0,0]=4
12  B7R0.4  CCCCCC(=O)O T3944 [1,1,0,0,0,0|2,0,0]=4
13  B7R0.4  NCCCCC(=O)O T5089 [1,1,0,0,0,0|2,0,0]=4
14  B7R0.5  CCC[C@H](N)C(=O)O T4788 [1,1,0,0,0,0|2,0,0]=4
15  B7R0.9  CC(=O)CC(C)(C)N BBP01274 [0,1,0,0,1,0|0,0,0]=2
16  B7R0.9  CC(C)(O)CC(=O)O T0613 [0,1,0,0,1,0|1,0,0]=3
17  B7R0.9  C[N+](C)(C)CC(=O)O T0019 [0,1,0,0,1,0|2,0,0]=4
18  B7R0.9  C[N+](C)(C)CC(=O)[O-] T3243 [0,1,0,0,1,0|2,0,0]=4
19  B7R0.16  CC(C)[C@H](N)C(=O)O T2O2776 [0,1,0,0,1,0|1,0,0]=3
20  B7R0.16  C[C@@H](O)[C@H](N)C(=O)O T2O2777 [0,1,0,0,1,0|2,0,0]=4
21  B9R0.56  CC(=O)OCC[N+](C)(C)C T1221 [0,1,0,0,0,1|1,0,0]=3
22  B9R1.66  CC1(O)CCOC(=O)C1 T1353 [0,0,0,1,0,1|1,0,0]=3
23  B9R1.138  CC1(C)COC(=O)[C@@H]1O T4828 [0,1,0,1,0,0|0,0,0]=2
24  B5R0.5  CC(=O)C(C)=O T4774 [0,0,0,0,2,0|1,0,1]=4
25  B5R0.5  CC(C)C(=O)O T4769 [0,0,0,0,2,0|1,0,0]=3
26  B5R0.5  C[C@@H](N)C(=O)O T4811 [0,0,0,0,2,0|2,0,0]=4
27  B5R0.5  C[C@H](N)C(=O)O TJO2729 [0,0,0,0,2,0|2,0,0]=4
28  B5R0.5  C[C@H](O)C(=O)O T4845 [0,0,0,0,2,0|2,0,0]=4