0  B5R0.3  CCC(O)CC HY-W087988 [0,0,0,0,0,0|3,0,0]=3
1  B5R0.3  CC[C@H](C)CO HY-W093104 [0,0,0,0,0,0|3,0,0]=3
2  B5R0.3  CC[PH](=O)CC HY-W094280 [0,0,0,0,0,0|4,0,0]=4
3  B4R0.1  CCB(O)O HY-W000933 [1,0,0,0,0,0|3,0,0]=4
4  B4R0.1  C[C@H](N)CO HY-Y0837 [1,0,0,0,0,0|3,0,0]=4
5  B4R0.1  C[C@H](O)CO HY-79334 [1,0,0,0,0,0|2,0,0]=3
6  B4R0.1  [13CH3][13CH2][13C](=O)O HY-B1773AS3 [1,0,0,0,0,0|2,0,1]=4
7  B4R0.1  [13CH3][13C](=O)O[Na] HY-W749209 [1,0,0,0,0,0|1,0,2]=4
8  B4R0.2  CCCNC HY-W250110E [1,0,0,0,0,0|2,0,0]=3
9  B4R0.2  CCCNC HY-W250110I [1,0,0,0,0,0|2,0,0]=3
10  B6R0.3  CNC(C)C(=O)O HY-W010591 [0,1,0,0,0,0|3,0,0]=4
11  B6R1.2  S=C1NCCO1 HY-W038985 [0,0,0,1,0,0|2,0,1]=4
12  B6R1.6  OC[C@H]1CCN1 HY-W061628 [0,0,0,1,0,0|3,0,0]=4
13  B3R0.1  N[13CH2][13CH2]O HY-W035903S [2,0,0,0,0,0|2,0,0]=4
14  B3R0.1  OCCO HY-Y0873 [2,0,0,0,0,0|2,0,0]=4
15  B3R0.1  OCCO HY-Y0873A3 [2,0,0,0,0,0|2,0,0]=4
16  B3R0.1  [13CH](=O)[13CH2]O HY-W779008 [2,0,0,0,0,0|2,0,0]=4
17  B3R0.2  CC(=O)O HY-P0119A [2,0,0,0,0,0|0,0,2]=4
18  B3R0.2  CS(C)=O HY-Y0320 [2,0,0,0,0,0|1,0,1]=4
19  B3R0.2  CS(C)=O HY-Y0320C [2,0,0,0,0,0|1,0,1]=4
20  B3R0.2  CS(C)=O HY-Y0320D [2,0,0,0,0,0|1,0,1]=4
21  B3R0.2  O=[Si](O)O HY-B0314 [2,0,0,0,0,0|1,1,0]=4
22  B3R0.2  O[AlH3](O)O HY-W116335A [2,0,0,0,0,0|2,0,0]=4
23  B5R0.4  CO[Si](C)(C)C HY-104035H [1,1,0,0,0,0|0,1,0]=3
24  B5R0.4  C[As](=O)(O)O[Na] HY-W714225 [1,1,0,0,0,0|2,0,0]=4
25  B5R0.5  [13CH3][13C@H](O)[13C](=O)O HY-Y0479S [1,1,0,0,0,0|2,0,0]=4
26  B5R1.2  C[C@H]1CCN1 HY-35279 [1,0,0,1,0,0|1,0,0]=3
27  B5R1.1  C1CSCN1 HY-I0144 [1,0,0,1,0,0|1,1,0]=4
28  B7R1.1  [C@H]1(CN)CCCO1 HY-W010601 [0,1,0,1,0,0|1,0,0]=3
29  B7R1.4  CC1OCCC1=O HY-W010608 [0,1,0,1,0,0|1,0,0]=3