0  B4R0.1  C\N=[N+](\C)[O-] HY-111375 [0,0,0,0,0,0|4,0,0]=4
1  B4R0.1  N[13C](=O)[15NH][15NH2] HY-W067028S [0,0,0,0,0,0|3,0,1]=4
2  B4R0.1  O=[N+]([O-])CCl HY-133631 [0,0,0,0,0,0|4,0,0]=4
3  B3R0.1  [2H]C[*]O HY-D2582 [1,0,0,0,0,0|3,0,0]=4
4  B3R0.1  [2H][*][*]C HY-D1742 [1,0,0,0,0,0|3,0,0]=4
5  B3R0.2  CC(=O)O HY-P0060A [1,0,0,0,0,0|2,0,1]=4
6  B3R0.2  CS(C)=O HY-Y0320GL [1,0,0,0,0,0|2,0,0]=3
7  B5R0.1  CC(F)CCN HY-W049770 [0,1,0,0,0,0|1,0,0]=2
8  B5R0.1  C[15NH]CC(=O)O HY-101037S [0,1,0,0,0,0|2,0,1]=4
9  B5R0.1  [15NH2][13CH2][13CH2][13C](=O)O HY-N0230S [0,1,0,0,0,0|2,0,1]=4
10  B5R0.4  [2H]C([2H])([2H])ON HY-Y0958S [0,1,0,0,0,0|3,0,0]=4
11  B5R0.5  C[C@@H](O)[13C](=O)O HY-111095S1 [0,1,0,0,0,0|2,0,1]=4
12  B5R0.5  C[C@H]([15NH2])[13C](=O)O HY-N0229S11 [0,1,0,0,0,0|2,0,1]=4
13  B5R0.5  OC(O)C(Cl)Cl HY-W154117 [0,1,0,0,0,0|3,0,0]=4
14  B2R0.1  C[*]S HY-164763 [2,0,0,0,0,0|2,0,0]=4
15  B2R0.1  N[13CH]=O HY-Y0842S [2,0,0,0,0,0|1,0,1]=4
16  B2R0.1  [*]OC HY-164202 [2,0,0,0,0,0|2,0,0]=4
17  B2R0.1  [3H][*]C HY-P991180 [2,0,0,0,0,0|2,0,0]=4
18  B4R0.2  N#CCCN HY-Y1750 [1,1,0,0,0,0|0,0,1]=3
19  B4R0.3  C[15N+](C)(C)[O-] HY-W722562 [1,1,0,0,0,0|1,0,0]=3
20  B6R0.3  NCC(O)C(=O)O HY-W012966 [0,2,0,0,0,0|1,0,1]=4
21  B6R0.5  [13CH3][N+]([13CH3])([13CH3])CCO HY-B1337S4 [0,2,0,0,0,0|2,0,0]=4
22  B6R1.8  CC1OC1CO HY-W310318 [0,1,0,1,0,0|2,0,0]=4