0  B15R1.890  N[C@@H](C(=O)O)[C@@H](O)C1=CC=C(O)C(O)=C1 M13680 [0,0,0,0,0,0|0,0,0]=0
1  B14R1.686  NC(CC1=CC=C(O)C(O)=C1)C(=O)O M24651 [1,0,0,0,0,0|0,0,0]=1
2  B14R1.686  N[C@@H](CC1=CC(O)=C(O)C=C1)C(=O)O M15230 [1,0,0,0,0,0|0,0,0]=1
3  B14R1.686  N[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)O M20026 [1,0,0,0,0,0|1,0,0]=2
4  B14R1.686  N[C@@H](Cc1ccc(O)c(I)c1)C(=O)O M20288 [1,0,0,0,0,0|1,0,0]=2
5  B14R1.686  O=C(O)[C@H](O)Cc1ccc(O)c(O)c1 M19093 [1,0,0,0,0,0|1,0,0]=2
6  B14R1.686  O=C([O-])C(O)Cc1ccc(O)c(O)c1 M18987 [1,0,0,0,0,0|1,0,1]=3
7  B13R1.133  NC(Cc1ccc(Cl)cc1)C(=O)O M15837 [2,0,0,0,0,0|1,0,0]=3
8  B13R1.133  N[C@@H](CC1=CC=C(O)C=C1)C(=O)O M15242 [2,0,0,0,0,0|0,0,0]=2
9  B13R1.133  N[C@@H](CC1=CC=C(O)C=C1)C(=O)O M23631 [2,0,0,0,0,0|0,0,0]=2
10  B13R1.133  N[C@@H](Cc1ccc(F)cc1)C(=O)O M28352 [2,0,0,0,0,0|1,0,0]=3
11  B13R1.133  N[C@@H](Cc1ccc(O)cc1)C(=O)O M29133 [2,0,0,0,0,0|0,0,0]=2
12  B13R1.133  N[C@H](CC1=CC=C(F)C=C1)C(=O)O M23404 [2,0,0,0,0,0|1,0,0]=3
13  B13R1.133  N[C@H](Cc1ccc(O)cc1)C(=O)O M22478 [2,0,0,0,0,0|0,0,0]=2
14  B13R1.133  O=C(O)C(=O)Cc1ccc(O)cc1 M19693 [2,0,0,0,0,0|1,0,1]=4
15  B13R1.133  O=C(O)C(O)Cc1ccc(O)cc1 M29624 [2,0,0,0,0,0|1,0,0]=3
16  B13R1.133  O=C(O)[C@@H](O)Cc1ccc(O)cc1 M28240 [2,0,0,0,0,0|1,0,0]=3
17  B13R1.152  N[C@@H](c1ccccc1)[C@@H](O)C(=O)O M20322 [2,0,0,0,0,0|2,0,0]=4
18  B13R1.148  N[C@@H](Cc1cccc(O)c1)C(=O)O M27192 [2,0,0,0,0,0|0,0,0]=2
19  B13R1.466  CNCC(O)C1=CC(O)=C(O)C=C1 M14086 [2,0,0,0,0,0|2,0,0]=4
20  B13R1.466  CNCC(O)C1=CC=C(O)C(O)=C1 M14087 [2,0,0,0,0,0|2,0,0]=4
21  B13R1.466  CNC[C@H](O)C1=CC(O)=C(O)C=C1 M19517 [2,0,0,0,0,0|2,0,0]=4
22  B13R1.466  CNC[C@H](O)C1=CC=C(O)C(O)=C1 M14780 [2,0,0,0,0,0|2,0,0]=4
23  B13R1.466  CNC[C@H](O)C1=CC=C(O)C(O)=C1 M18798 [2,0,0,0,0,0|2,0,0]=4
24  B13R1.511  O=C(O)CCC1=CC(O)=C(O)C=C1 M10317 [2,0,0,0,0,0|0,0,0]=2
25  B13R1.511  O=C(O)\C=C\c1ccc(O)c(O)c1 M18430 [2,0,0,0,0,0|0,0,2]=4
26  B13R1.510  O=C(O)C(O)c1ccc(O)c(O)c1 M20114 [2,0,0,0,0,0|1,0,1]=4
27  B13R1.510  O=C(O)C(O)c1ccc(O)c(O)c1 M24778 [2,0,0,0,0,0|1,0,1]=4
28  B15R1.4038  COc1cc(CC(N)C(=O)O)ccc1O M28712 [1,1,0,0,0,0|0,0,0]=2
29  B15R1.5521  COC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 M20919 [1,1,0,0,0,0|0,0,0]=2
30  B15R1.8394  NC(CC1=CC(O)=C(O)C=C1O)C(=O)O M13405 [1,1,0,0,0,0|0,0,0]=2
31  B15R1.11316  C[C@](N)(CC1=CC=C(O)C(O)=C1)C(=O)O M15017 [1,1,0,0,0,0|0,0,0]=2
32  B15R1.11316  C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O M20585 [1,1,0,0,0,0|0,0,0]=2
33  B15R1.28955  NC(Cc1cc(I)c(O)c(I)c1)C(=O)O M24224 [1,1,0,0,0,0|1,0,0]=3
34  B15R1.28955  N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O M18163 [1,1,0,0,0,0|1,0,0]=3