0  B4R0.1  C=CC(=O)O HY-W243303B [0,0,0,0,0,0|3,0,1]=4
1  B4R0.1  C=CC(=O)O HY-W243303M [0,0,0,0,0,0|3,0,1]=4
2  B4R0.1  C=CC(N)=O HY-W115727E [0,0,0,0,0,0|4,0,0]=4
3  B4R0.1  CC(=O)CN HY-W004850 [0,0,0,0,0,0|4,0,0]=4
4  B4R0.1  [13CH3][13CH2][13C](=O)O HY-B1773AS3 [0,0,0,0,0,0|3,0,1]=4
5  B4R0.1  [13CH3][13C](=O)O[Na] HY-W749209 [0,0,0,0,0,0|4,0,0]=4
6  B4R0.1  [15NH2]C[13C](=O)O HY-Y0966S5 [0,0,0,0,0,0|3,0,1]=4
7  B4R0.1  [15NH2][13CH2]C(=O)O HY-Y0966S7 [0,0,0,0,0,0|3,0,1]=4
8  B4R0.1  [15NH2][13CH2][13C](=O)O HY-Y0966S6 [0,0,0,0,0,0|3,0,1]=4
9  B3R0.1  O=CO[Na] HY-W088065 [1,0,0,0,0,0|3,0,0]=4
10  B3R0.1  O=[13CH]O[Na] HY-W088065S [1,0,0,0,0,0|3,0,0]=4
11  B3R0.1  [13CH](=O)[13CH2]O HY-W779008 [1,0,0,0,0,0|2,0,1]=4
12  B3R0.2  CC(=O)O HY-P0119A [1,0,0,0,0,0|2,0,1]=4
13  B3R0.2  CC([15NH2])=O HY-Y0946S [1,0,0,0,0,0|2,1,0]=4
14  B3R0.2  CS(C)=O HY-Y0320 [1,0,0,0,0,0|3,0,0]=4
15  B3R0.2  CS(C)=O HY-Y0320C [1,0,0,0,0,0|3,0,0]=4
16  B3R0.2  CS(C)=O HY-Y0320D [1,0,0,0,0,0|3,0,0]=4
17  B3R0.2  O=[Si](O)O HY-B0314 [1,0,0,0,0,0|1,0,2]=4
18  B3R0.2  [2H][13C](=O)O HY-W088065S1 [1,0,0,0,0,0|2,0,1]=4
19  B5R0.4  CS(=O)(=O)O[Na] HY-W034344 [0,1,0,0,0,0|3,0,0]=4
20  B5R0.4  CSS(C)(=O)=O HY-W004461 [0,1,0,0,0,0|3,0,0]=4
21  B5R0.5  O=C([O-])C(=O)[O-] HY-W140731 [0,1,0,0,0,0|2,0,1]=4
22  B5R0.5  O=[13C](O)[13C](=O)O HY-Y0262S1 [0,1,0,0,0,0|2,0,1]=4
23  B2R0.1  [15NH2]C=O HY-Y0842S3 [2,0,0,0,0,0|1,1,0]=4
24  B4R0.3  O=S(=O)(O)O HY-W115752 [1,1,0,0,0,0|1,0,1]=4
25  B6R0.7  O=S(=O)=[Ag](=O)(=O)[Ag] HY-W051140 [0,2,0,0,0,0|2,0,0]=4