0  B15R1.890  N[C@H](C(=O)O)[C@H](O)c1ccc(O)c(O)c1 T2547 [0,0,0,0,0,0|0,0,0]=0
1  B14R1.686  N[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)O T5280 [1,0,0,0,0,0|1,0,0]=2
2  B14R1.686  N[C@@H](Cc1ccc(O)c(I)c1)C(=O)O T5568 [1,0,0,0,0,0|1,0,0]=2
3  B14R1.686  N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O T0848 [1,0,0,0,0,0|0,0,0]=1
4  B14R1.686  N[C@@H](Cn1ccc(=O)c(O)c1)C(=O)O T6569 [1,0,0,0,0,0|1,0,1]=3
5  B14R1.686  O=C(O)[C@H](O)Cc1ccc(O)c(O)c1 T3227 [1,0,0,0,0,0|1,0,0]=2
6  B14R1.686  O=C([O-])C(O)Cc1ccc(O)c(O)c1 T2944 [1,0,0,0,0,0|1,0,1]=3
7  B13R1.133  NC(CC1=CC=C(Cl)C=C1)C(=O)O T1447 [2,0,0,0,0,0|1,0,0]=3
8  B13R1.133  N[C@@H](Cc1ccc(O)cc1)C(=O)O T0493 [2,0,0,0,0,0|0,0,0]=2
9  B13R1.133  N[C@@H](Cc1ccc(O)cc1)C(=O)O TN1596 [2,0,0,0,0,0|0,0,0]=2
10  B13R1.133  N[C@H](Cc1ccc(O)cc1)C(=O)O TN1545 [2,0,0,0,0,0|0,0,0]=2
11  B13R1.133  O=C(O)C(=O)Cc1ccc(O)cc1 T4858 [2,0,0,0,0,0|1,0,1]=4
12  B13R1.133  O=C(O)C(O)Cc1ccc(O)cc1 TQ0284 [2,0,0,0,0,0|1,0,0]=3
13  B13R1.152  N[C@@H](c1ccccc1)[C@@H](O)C(=O)O T5683 [2,0,0,0,0,0|2,0,0]=4
14  B13R1.466  CNCC(O)c1ccc(O)c(O)c1 T1071L [2,0,0,0,0,0|2,0,0]=4
15  B13R1.466  CNC[C@H](O)C1=CC=C(O)C(O)=C1 T6489 [2,0,0,0,0,0|2,0,0]=4
16  B13R1.511  O=C(O)CCc1ccc(O)c(O)c1 T0539 [2,0,0,0,0,0|0,0,0]=2
17  B13R1.511  O=C(O)\C=C\c1ccc(O)c(O)c1 T2807 [2,0,0,0,0,0|0,0,2]=4
18  B13R1.510  O=C(O)C(O)C1=CC=C(O)C(O)=C1 TQ0135 [2,0,0,0,0,0|1,0,1]=4
19  B13R1.510  O=C(O)C(O)c1ccc(O)c(O)c1 T5229 [2,0,0,0,0,0|1,0,1]=4
20  B15R1.4038  COC1=CC(CC(=O)C(=O)O)=CC=C1O T19600 [1,1,0,0,0,0|1,0,1]=4
21  B15R1.5521  COC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 T7654 [1,1,0,0,0,0|0,0,0]=2
22  B15R1.11316  C[C@](N)(CC1=CC(O)=C(O)C=C1)C(=O)O T15701 [1,1,0,0,0,0|0,0,0]=2
23  B15R1.11316  C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O T0505 [1,1,0,0,0,0|0,0,0]=2
24  B15R1.11316  C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O T5954 [1,1,0,0,0,0|0,0,0]=2
25  B15R1.28955  N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O T2760 [1,1,0,0,0,0|1,0,0]=3