0  B4R0.1  C=CC(=O)O HY-W243303J [0,0,0,0,0,0|2,0,1]=3
1  B4R0.1  C=CC(N)=O HY-W115727D [0,0,0,0,0,0|2,0,1]=3
2  B4R0.1  CC(O)CN HY-W015969R [0,0,0,0,0,0|0,0,4]=4
3  B4R0.1  CC[C@@H](C)O HY-W087952R [0,0,0,0,0,0|1,0,3]=4
4  B4R0.1  C[C@H](O)CO HY-79334R [0,0,0,0,0,0|1,0,3]=4
5  B4R0.1  N=C(N)NN HY-B1041R [0,0,0,0,0,0|3,0,1]=4
6  B4R0.1  O=P(=O)OO HY-B2243H [0,0,0,0,0,0|4,0,0]=4
7  B3R0.1  O=CC=O HY-Y0785 [1,0,0,0,0,0|1,0,1]=3
8  B5R0.3  CCC(=O)O[Na] HY-B1773AR [0,1,0,0,0,0|2,0,0]=3
9  B5R0.3  O=C(CO)CO HY-Y0335R [0,1,0,0,0,0|1,0,1]=3
10  B5R0.5  CC(=O)N(C)C HY-W042416R [0,1,0,0,0,0|2,0,0]=3
11  B5R0.5  C[13C@H](O)C(=O)O HY-Y0479S3 [0,1,0,0,0,0|2,0,1]=4
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|0,0,0]=2
15  B2R0.1  [15NH2][13CH]=O HY-Y0842S2 [2,0,0,0,0,0|0,0,1]=3
16  B4R0.2  CCO[13CH]=O HY-W747621 [1,1,0,0,0,0|1,0,1]=4
17  B6R0.1  CCOC(=O)CN HY-148666 [0,2,0,0,0,0|0,0,2]=4
18  B6R0.1  CCOC(=O)[13CH2]N HY-76204S [0,2,0,0,0,0|0,0,2]=4
19  B6R0.1  COC(=O)N=C=O HY-W178414 [0,2,0,0,0,0|1,0,1]=4
20  B6R0.2  CC(=O)NC(C)=O HY-W130303 [0,2,0,0,0,0|1,0,1]=4
21  B6R0.3  COC(=O)C(C)C HY-172377A [0,2,0,0,0,0|1,0,1]=4
22  B6R0.3  C\C=C(/C)C(=O)O HY-W012999R [0,2,0,0,0,0|1,0,1]=4
23  B6R0.7  CC(=O)C(Cl)(Cl)Br HY-133630 [0,2,0,0,0,0|1,0,1]=4
24  B6R1.2  O=C1CCOC1 HY-33900R [0,1,0,1,0,0|1,0,1]=4