0  B6R0.5  NCCS(=O)(=O)O HY-B0351 [0,0,0,0,0,0|1,0,0]=1
1  B6R0.5  N[13CH2][13CH2]S(=O)(=O)O HY-B0351S1 [0,0,0,0,0,0|1,0,0]=1
2  B6R0.5  [15NH2][13CH2][13CH2]S(=O)(=O)O HY-B0351S2 [0,0,0,0,0,0|1,0,0]=1
3  B5R0.1  CNCC(=O)O HY-W012791 [1,0,0,0,0,0|3,0,0]=4
4  B5R0.1  NOCC(=O)O HY-107994A [1,0,0,0,0,0|3,0,0]=4
5  B5R0.1  [15NH2]CCC(=O)O HY-N0230S1 [1,0,0,0,0,0|2,0,0]=3
6  B5R0.4  CS(=O)(=O)O[Na] HY-W034344 [1,0,0,0,0,0|3,0,0]=4
7  B5R0.4  CSS(C)(=O)=O HY-W004461 [1,0,0,0,0,0|2,0,0]=3
8  B7R0.8  CS(=O)(=O)CCC#N HY-17629 [0,1,0,0,0,0|2,0,0]=3
9  B7R1.14  O=S1(=O)CCCO1 HY-W010479 [0,0,0,1,0,0|1,0,0]=2
10  B4R0.1  CCB(O)O HY-W000933 [2,0,0,0,0,0|1,0,1]=4
11  B4R0.1  [13CH3][13CH2][13C](=O)O HY-B1773AS3 [2,0,0,0,0,0|1,0,0]=3
12  B4R0.1  [15NH2]C[13C](=O)O HY-Y0966S5 [2,0,0,0,0,0|2,0,0]=4
13  B4R0.1  [15NH2][13CH2]C(=O)O HY-Y0966S7 [2,0,0,0,0,0|2,0,0]=4
14  B4R0.1  [15NH2][13CH2][13C](=O)O HY-Y0966S6 [2,0,0,0,0,0|2,0,0]=4
15  B4R0.3  O=S(=O)(O)O HY-W115752 [2,0,0,0,0,0|0,1,0]=3
16  B6R0.1  C[13CH2][13CH2][13C](=O)O[Na] HY-W750796 [1,1,0,0,0,0|2,0,0]=4
17  B6R0.2  CC(C)CC(=O)O HY-W012980R [1,1,0,0,0,0|2,0,0]=4
18  B6R0.3  CCC(Br)C(=O)O HY-W015333 [1,1,0,0,0,0|2,0,0]=4
19  B6R0.3  CC[C@@H](O)C(=O)O HY-113381A [1,1,0,0,0,0|2,0,0]=4
20  B6R0.3  N[C@@H]([13CH2]O)C(=O)O HY-N0650S1 [1,1,0,0,0,0|1,1,0]=4
21  B6R0.3  [15NH2][C@@H](CO)C(=O)O HY-N0650S10 [1,1,0,0,0,0|1,1,0]=4
22  B6R0.3  [15NH2][C@@H](CO)[13C](=O)O HY-N0650S6 [1,1,0,0,0,0|1,1,0]=4
23  B6R0.3  [15NH2][C@@H](CS)C(=O)O HY-Y0337S1 [1,1,0,0,0,0|1,0,0]=3
24  B6R0.4  C#CCCC(=O)O HY-Y1230 [1,1,0,0,0,0|2,0,0]=4
25  B6R0.8  [Li]OS(=O)(=O)O[Li] HY-W094464 [1,1,0,0,0,0|2,0,0]=4