0  B9R0.39  CC(=O)N[C@@H](CS)C(=O)O T0875 [0,0,0,0,0,0|0,0,0]=0
1  B8R0.23  CC(=O)N[C@@H](C)C(=O)O T4839 [1,0,0,0,0,0|0,0,0]=1
2  B8R0.23  NC(=O)C[C@H](N)C(=O)O T2O2774 [1,0,0,0,0,0|3,0,0]=4
3  B8R0.23  N[C@@H](CC(=O)O)C(=O)O T2O2731 [1,0,0,0,0,0|3,0,0]=4
4  B8R0.23  N[C@H](CC(=O)O)C(=O)O T4885 [1,0,0,0,0,0|3,0,0]=4
5  B8R0.23  O=C(O)CC(O)C(=O)O T2S0850 [1,0,0,0,0,0|2,1,0]=4
6  B8R0.23  O=C(O)C[C@H](O)C(=O)O T4838 [1,0,0,0,0,0|2,1,0]=4
7  B10R1.113  CC1=NCCC(C(=O)O)N1 BBP04055 [0,0,0,1,0,0|2,0,0]=3
8  B10R1.113  CC1=N[C@H](C(=O)O)CCN1 T4038 [0,0,0,1,0,0|2,0,1]=4
9  B7R0.6  CC(=O)NCC(=O)O T4822 [2,0,0,0,0,0|0,0,0]=2
10  B7R0.6  O=C(O)CCC(=O)O BBP02045 [2,0,0,0,0,0|2,0,0]=4
11  B7R0.6  O=C(O)CCC(=O)O T2719 [2,0,0,0,0,0|2,0,0]=4
12  B9R0.42  COC(=O)C[C@H](O)C(=O)O BBP00069 [1,1,0,0,0,0|1,1,0]=4
13  B11R0.160  CSCCC(NC(C)=O)C(=O)O T4909 [0,2,0,0,0,0|0,0,0]=2
14  B9R1.6  O=C(O)C1CCCCN1 T4819 [1,0,0,1,0,0|1,0,1]=4
15  B9R1.6  O=C(O)[C@@H]1CCCCN1 T4762 [1,0,0,1,0,0|1,0,1]=4
16  B9R1.35  O=C1CC[C@@H](C(=O)O)N1 T0507 [1,0,0,1,0,0|1,0,0]=3
17  B9R1.35  O=C1CC[C@H](C(=O)O)N1 T4814 [1,0,0,1,0,0|1,0,0]=3
18  B11R1.74  O=C1C[C@@H](C(=O)O)NC(=O)N1 T4880 [0,1,0,1,0,0|1,1,0]=4
19  B7R0.16  CC(C(=O)O)C(=O)O T4817 [1,0,0,0,1,0|1,0,0]=3
20  B9R0.7  CC(=O)OC[C@H](N)C(=O)O T4722 [1,0,0,0,0,1|2,0,0]=4
21  B9R0.53  CC(CC(=O)O)CC(=O)O T4766 [1,0,0,0,0,1|2,0,0]=4