0  B4R0.1  C=CC(=O)O HY-W243303J [0,0,0,0,0,0|3,0,1]=4
1  B4R0.1  C=CC(N)=O HY-W115727D [0,0,0,0,0,0|3,0,1]=4
2  B4R0.1  CC(O)CN HY-W015969R [0,0,0,0,0,0|2,0,1]=3
3  B4R0.1  CC[C@@H](C)O HY-W087952R [0,0,0,0,0,0|2,0,1]=3
4  B4R0.1  C[C@H](O)CO HY-79334R [0,0,0,0,0,0|1,0,2]=3
5  B3R0.1  O=CC=O HY-Y0785 [1,0,0,0,0,0|1,0,1]=3
6  B3R0.1  OCCO HY-Y0873B1 [1,0,0,0,0,0|1,0,2]=4
7  B5R0.3  O=C[C@H](O)CO HY-W008507 [0,1,0,0,0,0|1,0,0]=2
8  B5R0.3  O=[13CH][13CH](O)[13CH2]O HY-128748S4 [0,1,0,0,0,0|1,0,0]=2
9  B5R0.4  C=C[N+](C)(C)C HY-W106467 [0,1,0,0,0,0|2,0,0]=3
10  B5R0.5  CC(=O)N(C)C HY-W042416R [0,1,0,0,0,0|1,0,0]=2
11  B5R0.5  C[13C@H](O)C(=O)O HY-Y0479S3 [0,1,0,0,0,0|1,0,0]=2
12  B2R0.1  C=CO HY-Y0850U7 [2,0,0,0,0,0|0,0,2]=4
13  B2R0.1  C=CO HY-Y0850U9 [2,0,0,0,0,0|0,0,2]=4
14  B2R0.1  CC#[15N] HY-W750600 [2,0,0,0,0,0|1,0,1]=4
15  B2R0.1  [15NH2][13CH]=O HY-Y0842S2 [2,0,0,0,0,0|1,0,0]=3
16  B4R0.2  CCO[13CH]=O HY-W747621 [1,1,0,0,0,0|0,0,0]=2
17  B4R0.3  C[N+](C)(C)C HY-W127671 [1,1,0,0,0,0|1,0,1]=4
18  B6R0.2  CC(=O)NC(C)=O HY-W130303 [0,2,0,0,0,0|1,0,1]=4
19  B6R0.2  CC(C)CC(C)N HY-W114255 [0,2,0,0,0,0|1,0,1]=4
20  B6R0.2  C[C@@H](O)CC(=O)O HY-W051723R [0,2,0,0,0,0|1,0,0]=3
21  B6R0.3  CCC(Br)C(=O)O HY-W015333R [0,2,0,0,0,0|1,0,0]=3
22  B6R0.3  CCC(N)C(=O)O HY-W010590R [0,2,0,0,0,0|1,0,0]=3
23  B6R0.3  CN(N=O)C(N)=O HY-34758R [0,2,0,0,0,0|2,0,0]=4
24  B6R0.3  COC(=O)C(C)C HY-172377A [0,2,0,0,0,0|0,0,0]=2
25  B6R0.3  C[C@@H](CN)C(=O)O HY-113380R [0,2,0,0,0,0|0,0,0]=2
26  B6R0.3  C\C=C(/C)C(=O)O HY-W012999R [0,2,0,0,0,0|0,0,1]=3
27  B6R0.3  N[13C@@H](CO)C(=O)O HY-N0650S4 [0,2,0,0,0,0|1,0,0]=3
28  B6R0.3  N[C@H](CS)C(=O)O HY-W018555R [0,2,0,0,0,0|1,0,0]=3
29  B6R0.7  CC(=O)C(Cl)(Cl)Br HY-133630 [0,2,0,0,0,0|2,0,0]=4
30  B6R0.7  CC(C)(N)C(=O)O HY-Y0124R [0,2,0,0,0,0|0,0,0]=2