0  B8R0.23  CC(=O)N[C@H](C)C(=O)O HY-W012713 [0,0,0,0,0,0|2,0,2]=4
1  B8R0.23  CC(C)C[C@@H](N)C(N)=O HY-W111211 [0,0,0,0,0,0|2,0,2]=4
2  B8R0.23  CC(C)C[C@@H](O)C(=O)O HY-30216 [0,0,0,0,0,0|1,0,2]=3
3  B8R0.23  CC(C)C[C@H]([15NH2])C(=O)O HY-N0486S3 [0,0,0,0,0,0|1,0,2]=3
4  B8R0.23  [13CH3][13CH]([13CH3])[13CH2][13C@H](N)[13C](=O)O HY-N0486S2 [0,0,0,0,0,0|1,0,2]=3
5  B7R0.6  CN(C)\C=C\[N+](=O)[O-] HY-20395 [1,0,0,0,0,0|2,0,1]=4
6  B7R0.6  C[S+](C)CCC(=O)O HY-W105506 [1,0,0,0,0,0|1,0,2]=4
7  B7R0.6  O=[13C](O)\C=C\[13C](=O)O HY-W015883S1 [1,0,0,0,0,0|2,0,1]=4
8  B9R0.23  CC(C)CC(=O)[13C](=O)O[Na] HY-W012722BS1 [0,1,0,0,0,0|1,0,1]=3
9  B9R0.23  CC(C)C[13C](=O)[13C](=O)O[Na] HY-W017387S1 [0,1,0,0,0,0|1,0,1]=3
10  B9R0.23  [13CH3][13CH]([13CH3])[13CH2][13C](=O)[13C](=O)O[Na] HY-W017387S2 [0,1,0,0,0,0|1,0,1]=3
11  B9R0.39  CN[C@@H](CC(C)C)C(=O)O HY-W128028 [0,1,0,0,0,0|0,0,2]=3
12  B9R0.39  [C@@H](CC(C)C)(NC)C(=O)O HY-W008140 [0,1,0,0,0,0|0,0,2]=3
13  B9R0.79  CC(C)N(O)C(=O)C(=O)O HY-153351 [0,1,0,0,0,0|2,0,0]=3
14  B9R1.35  CC1=CC(C(=O)O)=NN1 HY-33009 [0,0,0,1,0,0|2,0,1]=4
15  B7R0.16  CC(C)C(=O)C(=O)O HY-W006057R [0,0,0,0,1,0|1,0,0]=2
16  B7R0.16  CC(C)[C@H](N)[13C](=O)O HY-N0717S4 [0,0,0,0,1,0|1,0,1]=3
17  B7R0.16  CC(C)[C@H]([15NH2])C(=O)O HY-N0717S [0,0,0,0,1,0|1,0,1]=3
18  B7R0.16  [13CH3][13C@@H](O)[13C@H](N)[13C](=O)O HY-N0658S6 [0,0,0,0,1,0|2,0,1]=4
19  B7R0.16  [13CH3][13C@@H](O)[13C@H]([15NH2])[13C](=O)O HY-N0658S3 [0,0,0,0,1,0|2,0,1]=4
20  B7R0.16  [13CH3][13CH]([13CH3])[13C@H](N)[13C](=O)O HY-N0717S6 [0,0,0,0,1,0|1,0,1]=3
21  B6R0.2  CC(C)=CC(=O)O HY-W010611 [2,0,0,0,0,0|1,0,1]=4
22  B6R0.2  CC(C)CC(=O)O HY-W012980R [2,0,0,0,0,0|1,0,1]=4
23  B6R0.4  O=C(O)\C=C\CO HY-100982 [2,0,0,0,0,0|1,0,0]=3
24  B6R0.3  C(C)=C(/C)C(=O)O HY-N6929 [2,0,0,0,0,0|0,0,0]=2
25  B6R0.3  CCC(=O)C(C)=O HY-W012998R [2,0,0,0,0,0|2,0,0]=4
26  B6R0.3  CCC(Br)C(=O)O HY-W015333 [2,0,0,0,0,0|1,0,1]=4
27  B6R0.3  CC[C@@H](O)C(=O)O HY-113381A [2,0,0,0,0,0|1,0,1]=4
28  B6R0.3  CNC(C)C(=O)O HY-W010591 [2,0,0,0,0,0|1,0,1]=4
29  B6R0.3  O=C(O)C(=O)CO HY-113013 [2,0,0,0,0,0|2,0,0]=4
30  B8R0.18  CN[C@H](C(=O)O)C(C)C HY-20561 [0,1,0,0,1,0|0,0,1]=3
31  B8R0.27  CC(C)(S)C(N)C(=O)O HY-W017457 [0,1,0,0,1,0|1,0,1]=4
32  B8R0.37  CC(C)[C@@](C)(N)C(=O)O HY-W010386 [0,1,0,0,1,0|0,0,1]=3
33  B8R1.7  O=C(O)[C@@H]1CCC[15NH]1 HY-Y0252S2 [1,0,0,1,0,0|1,0,1]=4
34  B8R1.7  O=[13C](O)[13C@@H]1[13CH2][13CH2][13CH2]N1 HY-Y0252S [1,0,0,1,0,0|1,0,1]=4
35  B10R1.113  CN1CCC=C(C(=O)O)C1 HY-N2368A [0,1,0,1,0,0|1,0,1]=4
36  B10R1.113  CN1CCC=C(C(=O)O)C1 HY-N2368B [0,1,0,1,0,0|1,0,1]=4