0  B7R0.16  CC(C)[C@H](O)C(=O)O HY-30217 [0,0,0,0,0,0|0,0,2]=2
1  B7R0.16  [13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](=O)O HY-N0717S1 [0,0,0,0,0,0|1,0,1]=2
2  B6R0.3  NC(CS)C(=O)O HY-W012850 [1,0,0,0,0,0|2,0,1]=4
3  B6R0.3  NCC(O)C(=O)O HY-W012966 [1,0,0,0,0,0|1,0,2]=4
4  B6R0.3  N[13C@@H]([13CH2]S)[13C](=O)O HY-Y0337S4 [1,0,0,0,0,0|2,0,1]=4
5  B6R0.3  N[C@@H](CO)C(=O)O HY-W142089 [1,0,0,0,0,0|2,0,1]=4
6  B6R0.3  N[C@@H](CS)[13C](=O)O HY-Y0337S3 [1,0,0,0,0,0|2,0,1]=4
7  B6R0.3  N[C@@H]([13CH2]S)C(=O)O HY-Y0337S2 [1,0,0,0,0,0|2,0,1]=4
8  B6R0.3  [13CH3]C(=O)C(=O)O[Na] HY-W015913S3 [1,0,0,0,0,0|3,0,0]=4
9  B6R0.3  [13CH3][13C@H](O)[13C](=O)O[Na] HY-Y0479AS [1,0,0,0,0,0|3,0,0]=4
10  B6R0.3  [13CH3][13C](=O)[13C](=O)O[Na] HY-W015913S [1,0,0,0,0,0|3,0,0]=4
11  B6R0.3  [15NH2][13C@@H]([13CH2]O)[13C](=O)O HY-N0650S5 [1,0,0,0,0,0|2,0,1]=4
12  B6R0.3  [15NH2][13C@@H]([13CH2]S)[13C](=O)O HY-Y0337S [1,0,0,0,0,0|2,0,1]=4
13  B8R0.2  CC[C@H](C)[C@H](N)[13C](=O)O HY-N0771S4 [0,1,0,0,0,0|1,0,1]=3
14  B8R0.2  COC(=O)[C@@H](N)[C@@H](C)O HY-W008086 [0,1,0,0,0,0|2,0,1]=4
15  B8R0.2  [13CH3][13CH2][13C@H]([13CH3])[13C@H](N)[13C](=O)O HY-N0771S [0,1,0,0,0,0|1,0,1]=3
16  B8R0.2  [13CH3][13CH2][13C@H]([13CH3])[13C@H]([15NH2])[13C](=O)O HY-N0771S9 [0,1,0,0,0,0|1,0,1]=3
17  B8R0.37  CC(C)[C@](C)(N)C(=O)O HY-W012707 [0,1,0,0,0,0|1,0,1]=3
18  B8R1.50  CC1=C(O)C(=O)SC1 HY-Z7429 [0,0,0,1,0,0|0,1,2]=4
19  B8R0.23  C=C(CC(C)C)C(C)=O HY-44868 [0,0,0,0,0,1|2,0,0]=3
20  B8R0.23  O=[13C](O)[13CH2][13C](=O)[13C](=O)O HY-W010382S [0,0,0,0,0,1|2,0,1]=4
21  B8R0.23  [13CH3][13CH]([13CH3])[13CH2][13C@H]([15NH2])[13C](=O)O HY-N0486S8 [0,0,0,0,0,1|1,0,1]=3
22  B5R0.1  C[15NH]CC(=O)O HY-101037S [2,0,0,0,0,0|1,0,1]=4
23  B5R0.1  [15NH2][13CH2][13CH2][13C](=O)O HY-N0230S [2,0,0,0,0,0|1,0,1]=4
24  B5R0.5  C[C@@H](O)[13C](=O)O HY-111095S1 [2,0,0,0,0,0|1,0,0]=3
25  B5R0.5  C[C@H]([15NH2])[13C](=O)O HY-N0229S11 [2,0,0,0,0,0|1,0,0]=3
26  B7R0.2  CC(C)OC(=O)CS HY-W200537 [1,1,0,0,0,0|1,1,0]=4
27  B7R0.2  NC[C@@H](O)CC(=O)O HY-W050122 [1,1,0,0,0,0|1,0,1]=4
28  B7R0.2  [13CH3][13CH](O)[13CH2][13C](=O)O[Na] HY-W010452S1 [1,1,0,0,0,0|1,0,1]=4
29  B7R0.2  [13CH3][C@@H](O)[13CH2]C(=O)O[Na] HY-B0228S10 [1,1,0,0,0,0|1,0,1]=4
30  B7R0.13  CC[C@@](C)(N)C(=O)O HY-W008544 [1,1,0,0,0,0|1,0,1]=4
31  B9R0.25  [2H]C([13CH3])([13CH3])C(=O)C(=O)O[Na] HY-W006057AS [0,2,0,0,0,0|0,0,0]=2
32  B9R0.25  [2H]O[13C](=O)C(=O)C([2H])([2H])[2H] HY-Y0781S5 [0,2,0,0,0,0|2,0,0]=4
33  B7R1.18  O=C(O)C1CCN1 HY-75308 [1,0,0,1,0,0|1,0,1]=4
34  B9R1.69  N[C@@H]1CCC(=O)NC1=O HY-W088629 [0,0,0,1,0,1|2,0,0]=4
35  B9R1.37  [13CH]1([13CH3])OC(=O)C(O)=C1C HY-W779534 [0,1,0,1,0,0|0,0,2]=4