0  B7R0.5  CCC[C@H](N)C(=O)O T4788 [0,0,0,0,0,0|2,0,1]=3
1  B7R0.5  NC(CCS)C(=O)O T4863 [0,0,0,0,0,0|3,0,1]=4
2  B7R0.5  N[C@@H](CCO)C(=O)O T4757 [0,0,0,0,0,0|3,0,1]=4
3  B6R0.3  CCC(=O)C(=O)O T5060 [1,0,0,0,0,0|1,0,0]=2
4  B6R0.3  CCC(O)C(=O)[O-] T4738 [1,0,0,0,0,0|1,0,2]=4
5  B6R0.3  C\C=C(\C)C(=O)O T3328 [1,0,0,0,0,0|2,0,1]=4
6  B6R0.4  CCCCC(=O)O T4792 [1,0,0,0,0,0|1,0,1]=3
7  B6R0.4  NCCCC(=O)O T0508 [1,0,0,0,0,0|2,0,1]=4
8  B8R0.2  CC[C@H](C)[C@H](N)C(=O)O T0063 [0,1,0,0,0,0|2,0,1]=4
9  B8R0.8  CCCC[C@H](N)C(=O)O T4765 [0,1,0,0,0,0|2,0,1]=4
10  B8R0.8  CSCCC(N)C(=O)O TJO2742 [0,1,0,0,0,0|2,0,1]=4
11  B8R0.8  CSCC[C@H](N)C(=O)O T4844 [0,1,0,0,0,0|2,0,1]=4
12  B8R0.8  C[Se]CCC(N)C(=O)O T1658 [0,1,0,0,0,0|2,0,1]=4
13  B8R0.8  NCCC[C@@H](N)C(=O)O T0551 [0,1,0,0,0,0|2,0,1]=4
14  B8R0.8  NCCC[C@H](N)C(=O)O T0737 [0,1,0,0,0,0|2,0,1]=4
15  B8R0.8  NCCC[C@H](N)C(=O)O T2O2701 [0,1,0,0,0,0|2,0,1]=4
16  B8R0.23  CC(C)CC(=O)C(=O)O T5071 [0,1,0,0,0,0|1,0,0]=2
17  B8R0.23  CC(C)CC(N)C(=O)O T4772 [0,1,0,0,0,0|2,0,1]=4
18  B8R0.23  CC(C)C[C@H](N)C(=O)O T3O2749 [0,1,0,0,0,0|2,0,1]=4
19  B8R0.23  O=C(O)CC(=O)C(=O)O T4862 [0,1,0,0,0,0|2,0,1]=4
20  B8R1.7  O=C(O)[C@@H]1CCCN1 BBP00795 [0,0,0,1,0,0|2,0,1]=4
21  B8R1.7  O=C(O)[C@@H]1CCCN1 T2O2683 [0,0,0,1,0,0|2,0,1]=4
22  B8R0.5  CCOC(=O)CC(=O)O T4773 [0,0,0,0,0,1|2,0,0]=3
23  B5R0.1  CC(C)=CCO T4747 [2,0,0,0,0,0|2,0,0]=4
24  B5R0.1  CCCC(=O)O T3943 [2,0,0,0,0,0|0,0,1]=3
25  B5R0.1  NCCC(=O)O T0627 [2,0,0,0,0,0|1,0,1]=4
26  B5R0.3  CCC(C)C=O T5090 [2,0,0,0,0,0|1,0,1]=4
27  B5R0.5  CC(=O)C(=O)O T4804 [2,0,0,0,0,0|1,0,0]=3
28  B5R0.5  CC(=O)C(C)=O T4774 [2,0,0,0,0,0|0,0,0]=2
29  B5R0.5  O=C(O)C(=O)O T2O2680 [2,0,0,0,0,0|2,0,0]=4
30  B5R0.5  O=C(O)C(=O)O T5064 [2,0,0,0,0,0|2,0,0]=4
31  B7R0.2  COC(=O)CC(C)=O T4851 [1,1,0,0,0,0|1,0,1]=4
32  B7R0.4  CCCCCC(=O)O T3944 [1,1,0,0,0,0|1,0,1]=4
33  B7R0.4  NCCCCC(=O)O T5089 [1,1,0,0,0,0|1,0,1]=4
34  B7R1.3  O=C1C=CCCN1 BBP02874 [1,0,0,1,0,0|1,0,1]=4