0  B6R0.3  CCC(=O)C(=O)O T5060 [0,0,0,0,0,0|3,0,1]=4
1  B5R0.1  CC(C)=CCO T4747 [1,0,0,0,0,0|2,0,1]=4
2  B5R0.5  CC(=O)C(=O)O T4804 [1,0,0,0,0,0|1,0,1]=3
3  B5R0.5  CC(=O)C(C)=O T4774 [1,0,0,0,0,0|1,0,1]=3
4  B5R0.5  CC(C)C(=O)O T4769 [1,0,0,0,0,0|0,0,0]=1
5  B5R0.5  C[C@@H](N)C(=O)O T4811 [1,0,0,0,0,0|1,0,0]=2
6  B5R0.5  C[C@@H](O)[C@@H](C)O T4751 [1,0,0,0,0,0|1,0,2]=4
7  B5R0.5  C[C@H](N)C(=O)O TJO2729 [1,0,0,0,0,0|1,0,0]=2
8  B5R0.5  C[C@H](O)C(=O)O T4845 [1,0,0,0,0,0|1,0,0]=2
9  B5R0.5  O=C(O)C(=O)O T2O2680 [1,0,0,0,0,0|2,0,1]=4
10  B5R0.5  O=C(O)C(=O)O T5064 [1,0,0,0,0,0|2,0,1]=4
11  B7R1.4  N[C@@H]1CONC1=O T1589 [0,0,0,1,0,0|3,0,0]=4
12  B7R1.4  N[C@H]1CONC1=O T0710 [0,0,0,1,0,0|3,0,0]=4
13  B7R0.2  COC(=O)CC(C)=O T4851 [0,0,0,0,0,1|1,0,1]=3
14  B4R0.1  CCC(=O)O T4908 [2,0,0,0,0,0|0,0,0]=2
15  B4R0.1  NCC(=O)O T2O2728 [2,0,0,0,0,0|1,0,0]=3
16  B4R0.1  O=CC(=O)O T4843 [2,0,0,0,0,0|1,0,1]=4
17  B6R0.7  CC(C)(N)C(=O)O T4831 [1,1,0,0,0,0|0,0,0]=2
18  B6R0.7  CC(C)(O)C(=O)O T4787 [1,1,0,0,0,0|0,0,0]=2
19  B8R0.23  CC(C)CC(=O)C(=O)O T5071 [0,1,0,0,0,1|2,0,0]=4
20  B8R0.9  COC(=O)CCC(C)=O BBP00556 [0,0,0,0,0,2|1,0,1]=4