0  B9R1.69  N[C@@H]1CCC(=O)NC1=O HY-W088629 [0,1,0,0,0,0|2,0,1]=4
1  B7R0.2  CC(C)OC(=O)CS HY-W200537 [0,0,1,0,0,0|2,0,0]=3
2  B7R0.2  NC[C@@H](O)CC(=O)O HY-W050122 [0,0,1,0,0,0|3,0,0]=4
3  B7R0.2  [13CH3][13CH](O)[13CH2][13C](=O)O[Na] HY-W010452S1 [0,0,1,0,0,0|3,0,0]=4
4  B7R0.2  [13CH3][C@@H](O)[13CH2]C(=O)O[Na] HY-B0228S10 [0,0,1,0,0,0|3,0,0]=4
5  B6R0.4  N[13CH2][13CH2][13CH2][13C](=O)O HY-N0067S3 [1,0,1,0,0,0|2,0,0]=4
6  B8R0.2  CC[C@H](C)[C@H](N)[13C](=O)O HY-N0771S4 [0,1,1,0,0,0|1,0,0]=3
7  B8R0.2  COC(=O)[C@@H](N)[C@@H](C)O HY-W008086 [0,1,1,0,0,0|2,0,0]=4
8  B8R0.2  [13CH3][13CH2][13C@H]([13CH3])[13C@H](N)[13C](=O)O HY-N0771S [0,1,1,0,0,0|1,0,0]=3
9  B8R0.2  [13CH3][13CH2][13C@H]([13CH3])[13C@H]([15NH2])[13C](=O)O HY-N0771S9 [0,1,1,0,0,0|1,0,0]=3
10  B8R0.23  C=C(CC(C)C)C(C)=O HY-44868 [0,1,1,0,0,0|1,0,1]=4
11  B8R0.34  CC(C)(CN)CC(=O)O HY-41317 [0,1,1,0,0,0|2,0,0]=4
12  B8R0.7  O=C(O)CCOCCS HY-W190877 [0,1,1,0,0,0|2,0,0]=4
13  B8R0.8  C[34S]CC[C@H](N)C(=O)O HY-112019 [0,1,1,0,0,0|2,0,0]=4
14  B8R0.8  [13CH3]S[13CH2][13CH2][13C@H]([15NH2])[13C](=O)O HY-N0326S6 [0,1,1,0,0,0|2,0,0]=4
15  B8R0.8  [15NH2]CCC[C@H]([15NH2])C(=O)O HY-W017018S5 [0,1,1,0,0,0|2,0,0]=4
16  B8R1.72  O=S1(=O)CCNCC1 HY-21622 [1,1,0,0,0,0|2,0,0]=4
17  B8R1.11  CCN1CCCC1=O HY-B1620N [0,1,0,0,1,0|1,0,0]=3
18  B8R1.7  O=[13C](O)[13C@@H]1[13CH2][13CH2][13CH2][15NH]1 HY-Y0252S4 [0,0,1,1,0,0|2,0,0]=4
19  B8R2.2  [C@@H]12COC[C@]1(N)C2 HY-401703 [1,0,0,1,0,0|2,0,0]=4