0  B8R0.2  CCC(O)C(N)C(=O)O HY-W142133 [0,0,0,0,0,0|2,0,1]=3
1  B8R0.2  CC[C@@H](C)[C@H](N)C(=O)O HY-I1060R [0,0,0,0,0,0|1,0,1]=2
2  B7R0.5  CCCC(=O)C(=O)O HY-113098R [1,0,0,0,0,0|0,0,0]=1
3  B7R0.5  CCOC(=O)C(C)=O HY-Y1362R [1,0,0,0,0,0|2,0,0]=3
4  B7R0.5  NCC[C@H](N)C(=O)O HY-101414R [1,0,0,0,0,0|2,0,1]=4
5  B7R0.16  CC(C)C(O)C(=O)O HY-W008150R [1,0,0,0,0,0|0,0,2]=3
6  B7R0.16  CC(C)[C@H]([15NH2])[13C](=O)O HY-N0717S7 [1,0,0,0,0,0|1,0,1]=3
7  B7R0.16  C[C@@H](O)[C@H](N)C(=O)O HY-N0658AR [1,0,0,0,0,0|2,0,1]=4
8  B9R0.28  [2H][C@@](N)(C(=O)O)[C@@H](C)CC HY-N0771S8 [0,1,0,0,0,0|1,0,1]=3
9  B9R0.29  CCC(C)C(CC)C(N)=O HY-121877R [0,1,0,0,0,0|2,0,1]=4
10  B9R1.41  N[C@H]1CCC[C@H]1C(=O)O HY-W089091 [0,0,0,1,0,0|2,0,1]=4
11  B6R0.2  C[C@@H](O)CC(=O)O HY-W051723R [2,0,0,0,0,0|1,0,1]=4
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|1,0,0]=3
14  B6R0.3  COC(=O)C(C)C HY-172377A [2,0,0,0,0,0|2,0,0]=4
15  B6R0.3  C[C@@H](CN)C(=O)O HY-113380R [2,0,0,0,0,0|1,0,0]=3
16  B6R0.3  C\C=C(/C)C(=O)O HY-W012999R [2,0,0,0,0,0|0,0,2]=4
17  B6R0.3  N[13C@@H](CO)C(=O)O HY-N0650S4 [2,0,0,0,0,0|2,0,0]=4
18  B6R0.3  N[C@H](CS)C(=O)O HY-W018555R [2,0,0,0,0,0|2,0,0]=4
19  B8R0.8  CSCCC(N)C(=O)O HY-N0325R [1,1,0,0,0,0|1,0,1]=4
20  B8R0.8  CSCC[C@@H](N)C(=O)O HY-13694R [1,1,0,0,0,0|1,0,1]=4
21  B8R0.27  CC(C)(S)C(N)C(=O)O HY-W017457R [1,1,0,0,0,0|1,0,1]=4
22  B10R0.57  N[C@@H](CS)C(=O)NCC(=O)O HY-113110R [0,0,0,0,0,2|2,0,0]=4