0  B5R0.3  CCC(=O)O[Na] HY-B1773AR [0,0,0,0,0,0|2,0,2]=4
1  B5R0.3  O=C[C@H](O)CO HY-W008507 [0,0,0,0,0,0|2,0,0]=2
2  B5R0.3  O=[13CH][13CH](O)[13CH2]O HY-128748S4 [0,0,0,0,0,0|2,0,0]=2
3  B4R0.1  C=CC(=O)O HY-W243303J [1,0,0,0,0,0|1,0,1]=3
4  B4R0.1  C=CC(N)=O HY-W115727D [1,0,0,0,0,0|1,0,2]=4
5  B4R0.1  CC(O)CN HY-W015969R [1,0,0,0,0,0|1,0,1]=3
6  B4R0.1  CC[C@@H](C)O HY-W087952R [1,0,0,0,0,0|0,0,1]=2
7  B4R0.1  C[C@H](O)CO HY-79334R [1,0,0,0,0,0|1,0,1]=3
8  B4R0.2  CCO[13CH]=O HY-W747621 [1,0,0,0,0,0|2,0,0]=3
9  B6R0.3  CCC(Br)C(=O)O HY-W015333R [0,1,0,0,0,0|2,0,0]=3
10  B6R0.3  CCC(N)C(=O)O HY-W010590R [0,1,0,0,0,0|2,0,0]=3
11  B6R0.3  C[C@@H](CN)C(=O)O HY-113380R [0,1,0,0,0,0|3,0,0]=4
12  B6R0.3  N[13C@@H](CO)C(=O)O HY-N0650S4 [0,1,0,0,0,0|3,0,0]=4
13  B6R0.3  N[C@H](CS)C(=O)O HY-W018555R [0,1,0,0,0,0|3,0,0]=4
14  B3R0.1  OCCO HY-Y0873B1 [2,0,0,0,0,0|1,0,0]=3
15  B5R0.4  C=C[N+](C)(C)C HY-W106467 [1,1,0,0,0,0|2,0,0]=4
16  B5R0.5  C[13C@H](O)C(=O)O HY-Y0479S3 [1,1,0,0,0,0|1,0,0]=3
17  B7R0.5  NCC[C@H](N)C(=O)O HY-101414R [0,2,0,0,0,0|2,0,0]=4
18  B7R0.15  CCC(CC)C(=O)O HY-W004154R [0,2,0,0,0,0|0,0,2]=4
19  B7R0.16  CC(C)C(O)C(=O)O HY-W008150R [0,2,0,0,0,0|1,0,0]=3
20  B7R0.16  CC(C)[C@H]([15NH2])[13C](=O)O HY-N0717S7 [0,2,0,0,0,0|2,0,0]=4
21  B7R0.16  C[C@@H](O)[C@H](N)C(=O)O HY-N0658AR [0,2,0,0,0,0|2,0,0]=4
22  B7R1.1  OC[C@@H]1CCCN1 HY-Y1126R [0,1,0,1,0,0|1,0,1]=4