0  B3R0.2  CC(=O)O HY-P0060A [0,0,0,0,0,0|2,0,0]=2
1  B3R0.2  CS(C)=O HY-Y0320GL [0,0,0,0,0,0|0,0,0]=0
2  B2R0.1  C[*]S HY-164763 [1,0,0,0,0,0|1,1,0]=3
3  B2R0.1  N[13CH]=O HY-Y0842S [1,0,0,0,0,0|2,0,0]=3
4  B2R0.1  O=C=O HY-W782399 [1,0,0,0,0,0|2,0,0]=3
5  B2R0.1  [*]OC HY-164202 [1,0,0,0,0,0|1,1,0]=3
6  B2R0.1  [10*][*][3H] HY-P991272 [1,0,0,0,0,0|3,0,0]=4
7  B2R0.1  [3H][*]C HY-P991180 [1,0,0,0,0,0|2,0,0]=3
8  B4R0.1  C\N=[N+](\C)[O-] HY-111375 [0,1,0,0,0,0|1,0,1]=3
9  B4R0.1  N[13C](=O)[15NH][15NH2] HY-W067028S [0,1,0,0,0,0|3,0,0]=4
10  B4R0.1  O=[N+]([O-])CCl HY-133631 [0,1,0,0,0,0|2,0,0]=3
11  B4R0.3  C[15N+](C)(C)[O-] HY-W722562 [0,1,0,0,0,0|1,0,1]=3
12  B4R0.3  O=S(=O)(O)O HY-131150 [0,1,0,0,0,0|2,0,1]=4
13  B4R0.3  O=S(=O)(O)O HY-W020772AS1 [0,1,0,0,0,0|2,0,1]=4
14  B4R0.3  O=[Rh](=O)(=O)[Rh] HY-W033823 [0,1,0,0,0,0|3,0,0]=4
15  B1R0.1  CC HY-P991312 [2,0,0,0,0,0|0,0,0]=2
16  B1R0.1  Cl[Cs] HY-107754 [2,0,0,0,0,0|2,0,0]=4
17  B3R0.1  [2H]C[*]O HY-D2582 [1,1,0,0,0,0|1,0,1]=4
18  B3R0.1  [2H][*][*]C HY-D1742 [1,1,0,0,0,0|2,0,0]=4
19  B5R0.1  CC(F)CCN HY-W049770 [0,2,0,0,0,0|2,0,0]=4
20  B5R0.1  C[15NH]CC(=O)O HY-101037S [0,2,0,0,0,0|2,0,0]=4
21  B5R0.1  [15NH2][13CH2][13CH2][13C](=O)O HY-N0230S [0,2,0,0,0,0|2,0,0]=4
22  B5R0.5  C[C@@H](O)[13C](=O)O HY-111095S1 [0,2,0,0,0,0|2,0,0]=4
23  B5R0.5  C[C@H]([15NH2])[13C](=O)O HY-N0229S11 [0,2,0,0,0,0|2,0,0]=4
24  B5R0.5  O=[N+]([O-])C(Cl)Br HY-133636 [0,2,0,0,0,0|2,0,0]=4