0  B6R0.2  CC(=O)NC(C)=O HY-W130303 [0,0,0,0,0,0|4,0,0]=4
1  B6R0.2  CC(C)CC(C)N HY-W114255 [0,0,0,0,0,0|2,0,1]=3
2  B6R0.2  C[C@@H](O)CC(=O)O HY-W051723R [0,0,0,0,0,0|3,0,0]=3
3  B7R0.2  C[C@@H](O)CC(=O)O[Na] HY-W015851R [0,1,0,0,0,0|3,0,0]=4
4  B7R0.9  CC(=O)CC(C)(C)N HY-N3739 [0,1,0,0,0,0|2,0,0]=3
5  B7R0.9  C[As+](C)(C)CC(=O)[O-] HY-W795031 [0,1,0,0,0,0|1,1,0]=3
6  B7R0.16  CC(C)C(O)C(=O)O HY-W008150R [0,1,0,0,0,0|2,0,0]=3
7  B7R0.16  CC(C)[C@H]([15NH2])[13C](=O)O HY-N0717S7 [0,1,0,0,0,0|2,0,0]=3
8  B7R0.16  C[C@@H](O)[C@H](N)C(=O)O HY-N0658AR [0,1,0,0,0,0|3,0,0]=4
9  B5R0.5  CC(=O)N(C)C HY-W042416R [0,0,0,0,1,0|1,0,0]=2
10  B5R0.5  C[13C@H](O)C(=O)O HY-Y0479S3 [0,0,0,0,1,0|3,0,0]=4
11  B4R0.1  C=CC(N)=O HY-W115727D [2,0,0,0,0,0|0,0,2]=4
12  B4R0.1  CC(O)CN HY-W015969R [2,0,0,0,0,0|2,0,0]=4
13  B4R0.1  N=C(N)NN HY-B1041R [2,0,0,0,0,0|2,0,0]=4
14  B4R0.2  CCO[13CH]=O HY-W747621 [2,0,0,0,0,0|2,0,0]=4
15  B6R0.1  CCOC(=O)CN HY-148666 [1,1,0,0,0,0|2,0,0]=4
16  B6R0.1  CCOC(=O)[13CH2]N HY-76204S [1,1,0,0,0,0|2,0,0]=4
17  B6R0.3  CCC(Br)C(=O)O HY-W015333R [1,1,0,0,0,0|2,0,0]=4
18  B6R0.3  CCC(N)C(=O)O HY-W010590R [1,1,0,0,0,0|2,0,0]=4
19  B6R0.7  CC(C)(N)C(=O)O HY-Y0124R [0,1,0,0,1,0|2,0,0]=4
20  B8R0.23  CC(C)CC(N)C(=O)O HY-B1674R [0,1,0,0,0,1|2,0,0]=4
21  B8R0.23  CC(C)C[C@@H](N)C(=O)O HY-Y0378R [0,1,0,0,0,1|2,0,0]=4
22  B8R0.23  CN(C)C(=N)NC(N)=O HY-W738465 [0,1,0,0,0,1|0,0,1]=3
23  B8R0.2  CC[C@@H](C)[C@H](N)C(=O)O HY-I1060R [0,2,0,0,0,0|2,0,0]=4
24  B8R0.2  COC(=O)[C@@H](N)C(C)C HY-W037443 [0,2,0,0,0,0|2,0,0]=4
25  B8R0.27  CC(C)(S)C(N)C(=O)O HY-W017457R [0,2,0,0,0,0|2,0,0]=4
26  B6R1.2  O=C1CCOC1 HY-33900R [1,0,0,1,0,0|2,0,0]=4
27  B8R0.28  CC(=O)CCC=C(C)C HY-W010435R [0,0,0,0,0,2|2,0,0]=4