0  B4R0.1  C=CC(=O)O HY-W243303B [0,0,0,0,0,0|3,0,0]=3
1  B4R0.1  C=CC(=O)O HY-W243303M [0,0,0,0,0,0|3,0,0]=3
2  B4R0.1  C=CC(N)=O HY-W115727E [0,0,0,0,0,0|3,0,0]=3
3  B4R0.1  CC(=O)CN HY-W004850 [0,0,0,0,0,0|3,0,1]=4
4  B4R0.1  CSC(=N)N HY-79457 [0,0,0,0,0,0|4,0,0]=4
5  B4R0.1  NNC(N)=[Se] HY-128222 [0,0,0,0,0,0|4,0,0]=4
6  B4R0.1  [13CH3][13CH2][13C](=O)O HY-B1773AS3 [0,0,0,0,0,0|3,0,1]=4
7  B4R0.1  [13CH3][13C](=O)O[Na] HY-W749209 [0,0,0,0,0,0|4,0,0]=4
8  B4R0.1  [15NH2]C[13C](=O)O HY-Y0966S5 [0,0,0,0,0,0|3,0,1]=4
9  B4R0.1  [15NH2][13CH2]C(=O)O HY-Y0966S7 [0,0,0,0,0,0|3,0,1]=4
10  B4R0.1  [15NH2][13CH2][13C](=O)O HY-Y0966S6 [0,0,0,0,0,0|3,0,1]=4
11  B3R0.1  O=CO[Na] HY-W088065 [1,0,0,0,0,0|3,0,0]=4
12  B3R0.1  O=[13CH]O[Na] HY-W088065S [1,0,0,0,0,0|3,0,0]=4
13  B3R0.1  [13CH](=O)[13CH2]O HY-W779008 [1,0,0,0,0,0|2,0,1]=4
14  B3R0.2  CC(=O)O HY-P0119A [1,0,0,0,0,0|2,0,1]=4
15  B3R0.2  CC([15NH2])=O HY-Y0946S [1,0,0,0,0,0|2,0,1]=4
16  B3R0.2  ClC(Cl)I HY-133642 [1,0,0,0,0,0|0,1,1]=3
17  B3R0.2  Cl[Cr](Cl)Cl HY-B1608 [1,0,0,0,0,0|1,0,0]=2
18  B3R0.2  [2H][13C](=O)O HY-W088065S1 [1,0,0,0,0,0|3,0,0]=4
19  B5R0.1  C\C=C\C(C)=O HY-34748 [0,1,0,0,0,0|3,0,0]=4
20  B5R0.5  O=C([O-])C(=O)[O-] HY-W140731 [0,1,0,0,0,0|3,0,0]=4
21  B5R0.5  O=[13C](O)[13C](=O)O HY-Y0262S1 [0,1,0,0,0,0|3,0,0]=4
22  B2R0.1  C=CO HY-Y0850L [2,0,0,0,0,0|1,0,0]=3
23  B2R0.1  C=CO HY-Y0850M [2,0,0,0,0,0|1,0,0]=3
24  B2R0.1  C=CO HY-Y0850O [2,0,0,0,0,0|1,0,0]=3
25  B2R0.1  C=CO HY-Y0850U4 [2,0,0,0,0,0|1,0,0]=3
26  B2R0.1  Cl[Sr]Cl HY-22009A [2,0,0,0,0,0|1,0,0]=3
27  B2R0.1  [15NH2]C=O HY-Y0842S3 [2,0,0,0,0,0|2,0,0]=4
28  B4R0.3  Cl[Au](Cl)(Cl)Cl HY-W035091 [1,1,0,0,0,0|1,0,0]=3