0  B5R0.3  CCC(O)CC HY-W087988 [0,0,0,0,0,0|2,0,0]=2
1  B5R0.3  CC[C@H](C)CO HY-W093104 [0,0,0,0,0,0|0,1,0]=1
2  B5R0.3  CC[PH](=O)CC HY-W094280 [0,0,0,0,0,0|3,0,0]=3
3  B5R0.3  OCC(Cl)CO HY-W585827 [0,0,0,0,0,0|2,1,0]=3
4  B5R0.3  OCC(O)CS HY-W010572 [0,0,0,0,0,0|2,0,0]=2
5  B5R0.3  OC[13CH](O)CO HY-B1659S2 [0,0,0,0,0,0|2,1,0]=3
6  B5R0.3  O[13CH2]C(O)[13CH2]O HY-B1659S4 [0,0,0,0,0,0|2,1,0]=3
7  B5R0.3  O[13CH2][13CH](O)[13CH2]O HY-B1659S5 [0,0,0,0,0,0|2,1,0]=3
8  B4R0.1  CC(=O)CN HY-W004850 [1,0,0,0,0,0|1,1,1]=4
9  B4R0.1  CCB(O)O HY-W000933 [1,0,0,0,0,0|2,1,0]=4
10  B4R0.1  C[C@H](N)CO HY-Y0837 [1,0,0,0,0,0|1,1,0]=3
11  B4R0.1  C[C@H](O)CO HY-79334 [1,0,0,0,0,0|1,1,0]=3
12  B4R0.1  [13CH3][13CH2][13C](=O)O HY-B1773AS3 [1,0,0,0,0,0|1,1,1]=4
13  B4R0.2  CCCNC HY-W250110E [1,0,0,0,0,0|2,0,0]=3
14  B4R0.2  CCCNC HY-W250110I [1,0,0,0,0,0|2,0,0]=3
15  B6R0.3  CC(C)[C@@H](N)CO HY-30167 [0,1,0,0,0,0|1,1,0]=3
16  B6R0.3  CCC(Br)C(=O)O HY-W015333 [0,1,0,0,0,0|1,1,1]=4
17  B6R0.3  CC[C@@H](O)C(=O)O HY-113381A [0,1,0,0,0,0|1,1,1]=4
18  B6R0.3  CNC(C)C(=O)O HY-W010591 [0,1,0,0,0,0|1,1,1]=4
19  B6R0.3  [15NH2][C@@H](CS)C(=O)O HY-Y0337S1 [0,1,0,0,0,0|2,0,1]=4
20  B6R1.2  [C@H]1(F)CCNC1 HY-W004695 [0,0,0,1,0,0|2,0,0]=3
21  B6R1.6  OC[C@H]1CCN1 HY-W061628 [0,0,0,1,0,0|1,1,0]=3
22  B3R0.1  NCCS HY-77591R [2,0,0,0,0,0|1,0,0]=3
23  B3R0.1  N[13CH2][13CH2]O HY-W035903S [2,0,0,0,0,0|1,1,0]=4
24  B3R0.1  OCCO HY-Y0873 [2,0,0,0,0,0|1,1,0]=4
25  B3R0.1  OCCO HY-Y0873A3 [2,0,0,0,0,0|1,1,0]=4
26  B3R0.2  CS(C)=O HY-Y0320 [2,0,0,0,0,0|1,1,0]=4
27  B3R0.2  CS(C)=O HY-Y0320C [2,0,0,0,0,0|1,1,0]=4
28  B3R0.2  CS(C)=O HY-Y0320D [2,0,0,0,0,0|1,1,0]=4
29  B5R0.4  CO[Si](C)(C)C HY-104035H [1,1,0,0,0,0|1,1,0]=4
30  B5R0.2  C=CCCCO HY-W010639 [1,1,0,0,0,0|0,1,1]=4
31  B7R0.2  CC(C)C[C@H](N)CO HY-W015876 [0,2,0,0,0,0|1,1,0]=4
32  B7R0.11  C[N+](C)(CI)CCO HY-W130177 [0,2,0,0,0,0|2,0,0]=4
33  B5R1.2  C[C@H]1CCN1 HY-35279 [1,0,0,1,0,0|1,0,0]=3
34  B5R1.1  C1CSCN1 HY-I0144 [1,0,0,1,0,0|1,0,0]=3
35  B7R1.1  [C@H]1(CN)CCCO1 HY-W010601 [0,1,0,1,0,0|1,0,0]=3
36  B7R1.3  CC1=CCCCC1 HY-W004338 [0,1,0,1,0,0|1,0,1]=4
37  B7R1.4  CC1OCCC1=O HY-W010608 [0,1,0,1,0,0|0,1,1]=4