0  B8R0.9  COC(=O)CCC(C)=O BBP00556 [0,0,0,0,0,0|0,0,0]=0
1  B8R0.9  NCC(=O)CCC(=O)O T1662 [0,0,0,0,0,0|3,0,0]=3
2  B7R0.4  CCCCCC(=O)O T3944 [1,0,0,0,0,0|2,0,1]=4
3  B7R0.6  CC(=O)NCC(=O)O T4822 [1,0,0,0,0,0|1,0,0]=2
4  B7R0.6  O=C(O)CCC(=O)O BBP02045 [1,0,0,0,0,0|1,0,0]=2
5  B7R0.6  O=C(O)CCC(=O)O T2719 [1,0,0,0,0,0|1,0,0]=2
6  B7R0.6  O=C(O)CC[N+](=O)[O-] BBP03547 [1,0,0,0,0,0|2,0,0]=3
7  B7R0.6  O=C(O)CC[N+](=O)[O-] T3009 [1,0,0,0,0,0|2,0,0]=3
8  B7R0.6  O=C(O)\C=C/C(=O)O T4913 [1,0,0,0,0,0|1,0,2]=4
9  B7R0.6  O=C(O)\C=C\C(=O)O BBP00430 [1,0,0,0,0,0|1,0,2]=4
10  B7R0.6  O=C(O)\C=C\C(=O)O T3763 [1,0,0,0,0,0|1,0,2]=4
11  B9R0.42  COC(=O)C[C@H](O)C(=O)O BBP00069 [0,1,0,0,0,0|1,0,0]=2
12  B9R1.35  O=C1CC[C@@H](C(=O)O)N1 T0507 [0,0,0,1,0,0|3,0,0]=4
13  B9R1.35  O=C1CC[C@H](C(=O)O)N1 T4814 [0,0,0,1,0,0|3,0,0]=4
14  B7R0.2  COC(=O)CC(C)=O T4851 [0,0,0,0,1,0|0,0,0]=1
15  B9R0.1  COC(=O)CCCC(=O)O T4764 [0,0,0,0,0,1|1,0,0]=2
16  B6R0.4  CCCCC(=O)O T4792 [2,0,0,0,0,0|0,0,1]=3
17  B6R0.4  NCCCC(=O)O T0508 [2,0,0,0,0,0|1,0,1]=4
18  B8R0.23  C=C(CC(=O)O)C(=O)O T4837 [1,1,0,0,0,0|1,0,1]=4
19  B8R0.23  CC(=O)N[C@@H](C)C(=O)O T4839 [1,1,0,0,0,0|1,0,0]=3
20  B8R0.23  CC(C)CC(N)C(=O)O T4772 [1,1,0,0,0,0|1,0,1]=4
21  B8R0.23  CC(C)C[C@H](N)C(=O)O T3O2749 [1,1,0,0,0,0|1,0,1]=4
22  B8R0.23  NC(=O)C[C@H](N)C(=O)O T2O2774 [1,1,0,0,0,0|1,0,0]=3
23  B8R0.23  N[C@@H](CC(=O)O)C(=O)O T2O2731 [1,1,0,0,0,0|1,0,0]=3
24  B8R0.23  N[C@H](CC(=O)O)C(=O)O T4885 [1,1,0,0,0,0|1,0,0]=3
25  B8R0.23  O=C(O)CC(=O)C(=O)O T4862 [1,1,0,0,0,0|1,0,1]=4
26  B8R0.23  O=C(O)CC(O)C(=O)O T2S0850 [1,1,0,0,0,0|1,0,0]=3
27  B8R0.23  O=C(O)C[C@H](O)C(=O)O T4838 [1,1,0,0,0,0|1,0,0]=3
28  B8R1.1  COC1CCC(=O)N1 BBP00214 [1,0,0,1,0,0|1,0,1]=4
29  B10R1.14  COC(=O)[C@@H]1CCC(=O)N1 BBP03108 [0,0,0,1,0,1|1,0,0]=3
30  B6R0.2  CC(C)=CC(=O)O BBP04714 [1,0,0,0,1,0|1,0,1]=4
31  B6R0.2  CC(O)CC(=O)O T4947 [1,0,0,0,1,0|0,0,2]=4
32  B6R0.3  CCC(=O)C(=O)O T5060 [0,0,0,0,2,0|2,0,0]=4