0  B6R0.1  C[13CH2][13CH2][13C](=O)O[Na] HY-W750796 [0,0,0,0,0,0|3,0,0]=3
1  B5R0.1  CNCC(=O)O HY-W012791 [1,0,0,0,0,0|3,0,0]=4
2  B5R0.1  C\C=C\C(C)=O HY-34748 [1,0,0,0,0,0|1,0,2]=4
3  B5R0.1  [15NH2]CCC(=O)O HY-N0230S1 [1,0,0,0,0,0|3,0,0]=4
4  B5R0.2  C=CCCCO HY-W010639 [1,0,0,0,0,0|2,0,1]=4
5  B5R0.3  CC[PH](=O)CC HY-W094280 [1,0,0,0,0,0|1,0,2]=4
6  B7R0.3  C=CC(=O)NCCO HY-W095198 [0,1,0,0,0,0|1,0,0]=2
7  B7R0.3  CCC(=O)OCOC HY-41616 [0,1,0,0,0,0|0,0,2]=3
8  B7R0.3  CCCCC(=O)O[Na] HY-W007087 [0,1,0,0,0,0|3,0,0]=4
9  B7R0.5  CCOC(=O)C(C)N HY-W099247 [0,1,0,0,0,0|0,0,2]=3
10  B7R0.7  CCOC(=O)CNC HY-Y1144 [0,1,0,0,0,0|0,0,2]=3
11  B7R1.3  CC1=CCCCC1 HY-W004338 [0,0,0,1,0,0|2,0,1]=4
12  B7R1.4  CC1OCCC1=O HY-W010608 [0,0,0,1,0,0|2,0,1]=4
13  B7R1.4  NN1CCOC1=O HY-W012982 [0,0,0,1,0,0|2,0,0]=3
14  B4R0.1  C=CC(=O)O HY-W243303B [2,0,0,0,0,0|0,0,0]=2
15  B4R0.1  C=CC(=O)O HY-W243303M [2,0,0,0,0,0|0,0,0]=2
16  B4R0.1  C=CC(N)=O HY-W115727E [2,0,0,0,0,0|1,0,0]=3
17  B4R0.1  CC(=O)CN HY-W004850 [2,0,0,0,0,0|1,0,1]=4
18  B4R0.1  [13CH3][13CH2][13C](=O)O HY-B1773AS3 [2,0,0,0,0,0|1,0,0]=3
19  B4R0.1  [13CH3][13C](=O)O[Na] HY-W749209 [2,0,0,0,0,0|1,0,1]=4
20  B4R0.1  [15NH2]C[13C](=O)O HY-Y0966S5 [2,0,0,0,0,0|1,0,1]=4
21  B4R0.1  [15NH2][13CH2]C(=O)O HY-Y0966S7 [2,0,0,0,0,0|1,0,1]=4
22  B4R0.1  [15NH2][13CH2][13C](=O)O HY-Y0966S6 [2,0,0,0,0,0|1,0,1]=4
23  B4R0.2  O=COO[Na] HY-ER013B [2,0,0,0,0,0|2,0,0]=4
24  B4R0.2  [Li]OOC=O HY-Y0292 [2,0,0,0,0,0|2,0,0]=4
25  B6R0.2  CC(C)CC(=O)O HY-W012980R [1,1,0,0,0,0|2,0,0]=4
26  B6R0.3  CCC(=O)C(C)=O HY-W012998R [1,1,0,0,0,0|1,0,1]=4
27  B6R0.3  CCC(Br)C(=O)O HY-W015333 [1,1,0,0,0,0|2,0,0]=4
28  B6R0.3  CC[C@@H](O)C(=O)O HY-113381A [1,1,0,0,0,0|2,0,0]=4
29  B8R0.5  CCOC(=O)C[C@@H](C)O HY-Y1131 [0,2,0,0,0,0|0,0,2]=4
30  B8R0.1  CCCOC(=O)OCCl HY-Z2475 [0,2,0,0,0,0|1,0,1]=4
31  B8R0.3  CCOC(=O)[C@@H](N)CO HY-W016996 [0,2,0,0,0,0|0,0,2]=4
32  B8R0.3  CCOC(=O)[C@@H](N)CS HY-Y1875 [0,2,0,0,0,0|0,0,2]=4
33  B6R1.2  S=C1NCCO1 HY-W038985 [1,0,0,1,0,0|1,1,0]=4