0  B5R0.1  CC(F)CCN HY-W049770 [0,0,0,0,0,0|2,0,0]=2
1  B5R0.1  [15NH2][13CH2][13CH2][13C](=O)O HY-N0230S [0,0,0,0,0,0|3,0,1]=4
2  B4R0.1  C\N=[N+](\C)[O-] HY-111375 [1,0,0,0,0,0|3,0,0]=4
3  B4R0.2  N#CCCN HY-Y1750 [1,0,0,0,0,0|2,0,1]=4
4  B6R0.1  O=[13C]([13CH2][13CH2]O)O[Na] HY-W748200 [0,1,0,0,0,0|2,0,1]=4
5  B6R0.3  N[C@@H](CO)C(=O)O HY-W142089 [0,1,0,0,0,0|2,0,1]=4
6  B6R0.3  [15NH2][13C@@H]([13CH2]O)[13C](=O)O HY-N0650S5 [0,1,0,0,0,0|2,0,1]=4
7  B6R0.5  [13CH3][N+]([13CH3])([13CH3])CCO HY-B1337S4 [0,1,0,0,0,0|1,0,0]=2
8  B6R1.8  CC1OC1CO HY-W310318 [0,0,0,1,0,0|1,0,0]=2
9  B3R0.1  [2H]C[*]O HY-D2582 [2,0,0,0,0,0|2,0,0]=4
10  B3R0.2  CC(=O)O HY-P0060A [2,0,0,0,0,0|1,0,1]=4
11  B3R0.2  CS(C)=O HY-Y0320GL [2,0,0,0,0,0|1,0,1]=4
12  B5R0.5  C[C@@H](O)[13C](=O)O HY-111095S1 [1,1,0,0,0,0|1,0,1]=4
13  B5R0.5  C[C@H]([15NH2])[13C](=O)O HY-N0229S11 [1,1,0,0,0,0|1,0,1]=4
14  B5R0.5  OC(O)C(Cl)Cl HY-W154117 [1,1,0,0,0,0|2,0,0]=4
15  B7R0.2  CC(C)OC(=O)CS HY-W200537 [0,2,0,0,0,0|0,1,1]=4
16  B7R0.2  NC[C@@H](O)CC(=O)O HY-W050122 [0,2,0,0,0,0|1,0,1]=4
17  B7R0.2  [13CH3][13CH](O)[13CH2][13C](=O)O[Na] HY-W010452S1 [0,2,0,0,0,0|1,0,1]=4
18  B7R0.2  [13CH3][C@@H](O)[13CH2]C(=O)O[Na] HY-B0228S10 [0,2,0,0,0,0|1,0,1]=4
19  B7R0.7  OCCC(O)CCO HY-W358956 [0,2,0,0,0,0|1,0,0]=3
20  B7R0.10  O=C[C@@H](O)[C@H](O)[13CH2]O HY-W012864S2 [0,2,0,0,0,0|1,0,1]=4
21  B7R0.16  CC(C)[C@H](O)C(=O)O HY-30217 [0,2,0,0,0,0|0,0,1]=3
22  B7R0.16  [13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](=O)O HY-N0717S1 [0,2,0,0,0,0|0,0,1]=3
23  B5R1.1  C1CSCN1 HY-77599 [1,0,0,1,0,0|1,1,0]=4