0  B8R0.2  CCC(O)C(N)C(=O)O HY-W142133 [0,0,0,0,0,0|1,0,0]=1
1  B8R0.2  CC[C@@H](C)[C@H](N)C(=O)O HY-I1060R [0,0,0,0,0,0|0,0,0]=0
2  B7R0.5  CCCC(=O)C(=O)O HY-113098R [1,0,0,0,0,0|1,0,1]=3
3  B7R0.5  NCC[C@H](N)C(=O)O HY-101414R [1,0,0,0,0,0|1,0,0]=2
4  B7R0.16  CC(C)C(O)C(=O)O HY-W008150R [1,0,0,0,0,0|1,0,0]=2
5  B7R0.16  CC(C)[C@H]([15NH2])[13C](=O)O HY-N0717S7 [1,0,0,0,0,0|0,0,0]=1
6  B7R0.16  C[C@@H](O)[C@H](N)C(=O)O HY-N0658AR [1,0,0,0,0,0|1,0,0]=2
7  B9R0.28  [2H][C@@](N)(C(=O)O)[C@@H](C)CC HY-N0771S8 [0,1,0,0,0,0|0,0,0]=1
8  B9R0.29  CCC(C)C(CC)C(N)=O HY-121877R [0,1,0,0,0,0|2,0,0]=3
9  B9R1.3  O=C1NCCC(O)C1Cl HY-N1815 [0,0,0,1,0,0|3,0,0]=4
10  B9R1.41  N[C@H]1CCC[C@H]1C(=O)O HY-W089091 [0,0,0,1,0,0|2,0,0]=3
11  B6R0.2  C[C@@H](O)CC(=O)O HY-W051723R [2,0,0,0,0,0|1,0,0]=3
12  B6R0.3  CCC(Br)C(=O)O HY-W015333R [2,0,0,0,0,0|1,0,0]=3
13  B6R0.3  CCC(N)C(=O)O HY-W010590R [2,0,0,0,0,0|0,0,0]=2
14  B6R0.3  C[C@@H](CN)C(=O)O HY-113380R [2,0,0,0,0,0|2,0,0]=4
15  B6R0.3  N[13C@@H](CO)C(=O)O HY-N0650S4 [2,0,0,0,0,0|1,0,0]=3
16  B6R0.3  N[C@H](CS)C(=O)O HY-W018555R [2,0,0,0,0,0|1,0,0]=3
17  B8R0.5  CCOC(=O)CC(=O)O HY-Y1031R [1,1,0,0,0,0|1,0,1]=4
18  B8R0.19  O=C(C[C@H](O)CO)O[Na] HY-W671225 [1,1,0,0,0,0|2,0,0]=4
19  B8R0.8  CSCCC(N)C(=O)O HY-N0325R [1,1,0,0,0,0|0,0,0]=2
20  B8R0.8  CSCC[C@@H](N)C(=O)O HY-13694R [1,1,0,0,0,0|0,0,0]=2
21  B8R0.27  CC(C)(S)C(N)C(=O)O HY-W017457R [1,1,0,0,0,0|0,0,0]=2
22  B8R0.27  CC(C)[C@H](N)P(=O)(O)O HY-W795259 [1,1,0,0,0,0|1,0,0]=3
23  B8R1.7  O=C(O)C1CSCN1 HY-B1169R [1,0,0,1,0,0|1,0,0]=3
24  B8R1.23  O=C1C[C@H](C(=O)O)N1 HY-W061629 [1,0,0,1,0,0|1,0,1]=4
25  B10R1.128  C[N+]1(C)CCC[C@H]1C(=O)O HY-N0738R [0,1,0,1,0,0|2,0,0]=4