0  B4R0.1  C\N=[N+](\C)[O-] HY-111375 [0,0,0,0,0,0|3,0,1]=4
1  B4R0.1  O=[N+]([O-])CCl HY-133631 [0,0,0,0,0,0|3,0,1]=4
2  B3R0.1  [2H]C[*]O HY-D2582 [1,0,0,0,0,0|2,0,0]=3
3  B3R0.1  [2H][*][*]C HY-D1742 [1,0,0,0,0,0|3,0,0]=4
4  B3R0.2  CC(=O)O HY-P0060A [1,0,0,0,0,0|0,0,2]=3
5  B3R0.2  CS(C)=O HY-Y0320GL [1,0,0,0,0,0|1,0,1]=3
6  B5R0.1  CC(F)CCN HY-W049770 [0,1,0,0,0,0|2,0,0]=3
7  B5R0.1  C[15NH]CC(=O)O HY-101037S [0,1,0,0,0,0|2,0,1]=4
8  B5R0.1  [15NH2][13CH2][13CH2][13C](=O)O HY-N0230S [0,1,0,0,0,0|2,0,1]=4
9  B5R0.5  C[C@@H](O)[13C](=O)O HY-111095S1 [0,1,0,0,0,0|0,0,1]=2
10  B5R0.5  C[C@H]([15NH2])[13C](=O)O HY-N0229S11 [0,1,0,0,0,0|1,0,1]=3
11  B5R0.5  OC(O)C(Cl)Cl HY-W154117 [0,1,0,0,0,0|2,0,0]=3
12  B2R0.1  C[*]S HY-164763 [2,0,0,0,0,0|1,1,0]=4
13  B2R0.1  [*]OC HY-164202 [2,0,0,0,0,0|2,0,0]=4
14  B2R0.1  [3H][*]C HY-P991180 [2,0,0,0,0,0|2,0,0]=4
15  B4R0.2  N#CCCN HY-Y1750 [1,1,0,0,0,0|1,0,1]=4
16  B4R0.3  C[15N+](C)(C)[O-] HY-W722562 [1,1,0,0,0,0|1,0,1]=4
17  B4R0.3  O=S(=O)(O)O HY-131150 [1,1,0,0,0,0|2,0,0]=4
18  B4R0.3  O=S(=O)(O)O HY-W020772AS1 [1,1,0,0,0,0|2,0,0]=4
19  B6R0.1  O=[13C]([13CH2][13CH2]O)O[Na] HY-W748200 [0,2,0,0,0,0|1,0,1]=4
20  B6R0.3  NC(CS)C(=O)O HY-W012850 [0,2,0,0,0,0|1,0,1]=4
21  B6R0.3  NCC(O)C(=O)O HY-W012966 [0,2,0,0,0,0|0,0,1]=3
22  B6R0.3  N[13C@@H]([13CH2]S)[13C](=O)O HY-Y0337S4 [0,2,0,0,0,0|1,0,1]=4
23  B6R0.3  N[C@@H](CO)C(=O)O HY-W142089 [0,2,0,0,0,0|1,0,0]=3
24  B6R0.3  N[C@@H](CS)[13C](=O)O HY-Y0337S3 [0,2,0,0,0,0|1,0,1]=4
25  B6R0.3  N[C@@H]([13CH2]S)C(=O)O HY-Y0337S2 [0,2,0,0,0,0|1,0,1]=4
26  B6R0.3  [13CH3][13C@H](O)[13C](=O)O[Na] HY-Y0479AS [0,2,0,0,0,0|0,0,1]=3
27  B6R0.3  [15NH2][13C@@H]([13CH2]O)[13C](=O)O HY-N0650S5 [0,2,0,0,0,0|1,0,0]=3
28  B6R0.3  [15NH2][13C@@H]([13CH2]S)[13C](=O)O HY-Y0337S [0,2,0,0,0,0|1,0,1]=4
29  B6R0.5  [13CH3][N+]([13CH3])([13CH3])CCO HY-B1337S4 [0,2,0,0,0,0|2,0,0]=4
30  B6R1.8  CC1OC1CO HY-W310318 [0,1,0,1,0,0|0,0,0]=2