0  B7R0.3  C\C=C\CC(=O)OC HY-W127411 [0,1,0,0,0,0|1,0,2]=4
1  B7R0.4  NCCCCC(=O)O HY-W015878R [0,1,0,0,0,0|2,0,0]=3
2  B7R0.5  CCCC(=O)C(=O)O HY-113098R [0,1,0,0,0,0|2,0,0]=3
3  B7R0.5  CCOC(=O)C(C)=O HY-Y1362R [0,1,0,0,0,0|2,0,0]=3
4  B7R0.5  NCC[C@H](N)C(=O)O HY-101414R [0,1,0,0,0,0|3,0,0]=4
5  B4R0.1  CC[C@@H](C)O HY-W087952R [2,0,0,0,0,0|0,0,2]=4
6  B4R0.2  CCO[13CH]=O HY-W747621 [2,0,0,0,0,0|0,1,0]=3
7  B6R0.1  CCOC(=O)CN HY-148666 [1,1,0,0,0,0|0,1,0]=3
8  B6R0.1  CCOC(=O)[13CH2]N HY-76204S [1,1,0,0,0,0|0,1,0]=3
9  B6R0.2  CC(=O)NC(C)=O HY-W130303 [1,1,0,0,0,0|1,0,1]=4
10  B6R0.2  CC(C)CC(C)N HY-W114255 [1,1,0,0,0,0|1,0,1]=4
11  B6R0.2  C[C@@H](O)CC(=O)O HY-W051723R [1,1,0,0,0,0|1,0,0]=3
12  B6R0.3  CCC(Br)C(=O)O HY-W015333R [1,1,0,0,0,0|1,0,0]=3
13  B6R0.3  CCC(N)C(=O)O HY-W010590R [1,1,0,0,0,0|1,0,0]=3
14  B6R0.3  C[C@@H](CN)C(=O)O HY-113380R [1,1,0,0,0,0|2,0,0]=4
15  B6R0.3  N[13C@@H](CO)C(=O)O HY-N0650S4 [1,1,0,0,0,0|2,0,0]=4
16  B6R0.3  N[C@H](CS)C(=O)O HY-W018555R [1,1,0,0,0,0|2,0,0]=4
17  B8R0.2  CCC(O)C(N)C(=O)O HY-W142133 [0,2,0,0,0,0|2,0,0]=4
18  B8R0.2  CC[C@@H](C)[C@H](N)C(=O)O HY-I1060R [0,2,0,0,0,0|2,0,0]=4
19  B8R0.5  CCOC(=O)CC(C)=O HY-Y1093R [0,2,0,0,0,0|1,0,1]=4
20  B8R0.5  CCOC(=O)C[13C](C)=O HY-Y1093S3 [0,2,0,0,0,0|1,0,1]=4
21  B8R0.23  CC(C)CC(N)C(=O)O HY-B1674R [0,2,0,0,0,0|2,0,0]=4
22  B8R0.23  CC(C)C[C@@H](N)C(=O)O HY-Y0378R [0,2,0,0,0,0|2,0,0]=4
23  B8R0.8  C=C(C)C(=O)OCCO HY-W763557B [0,2,0,0,0,0|1,1,0]=4
24  B8R0.8  CSCCC(N)C(=O)O HY-N0325R [0,2,0,0,0,0|2,0,0]=4
25  B8R0.8  CSCC[C@@H](N)C(=O)O HY-13694R [0,2,0,0,0,0|2,0,0]=4
26  B8R0.9  COC(=O)CCC(C)=O HY-N3272R [0,2,0,0,0,0|1,0,1]=4
27  B8R0.28  CC(=O)CCC=C(C)C HY-W010435R [0,2,0,0,0,0|1,0,1]=4
28  B6R1.2  O=C1CCOC1 HY-33900R [1,0,0,1,0,0|1,0,0]=3
29  B8R1.22  O=C1CCCCCO1 HY-W392100C [0,1,0,1,0,0|0,1,0]=3