0  B3R0.1  O=CC=O HY-Y0785 [0,0,0,0,0,0|1,0,3]=4
1  B3R0.1  OCCO HY-Y0873B1 [0,0,0,0,0,0|1,0,0]=1
2  B2R0.1  C=CO HY-Y0850U7 [1,0,0,0,0,0|0,0,2]=3
3  B2R0.1  C=CO HY-Y0850U9 [1,0,0,0,0,0|0,0,2]=3
4  B2R0.1  CC#[15N] HY-W750600 [1,0,0,0,0,0|0,0,2]=3
5  B2R0.1  [15NH2][13CH]=O HY-Y0842S2 [1,0,0,0,0,0|0,0,2]=3
6  B4R0.1  C=CC(=O)O HY-W243303J [0,1,0,0,0,0|1,0,2]=4
7  B4R0.1  C=CC(N)=O HY-W115727D [0,1,0,0,0,0|1,0,2]=4
8  B4R0.1  CC(O)CN HY-W015969R [0,1,0,0,0,0|0,0,0]=1
9  B4R0.1  CC[C@@H](C)O HY-W087952R [0,1,0,0,0,0|1,0,0]=2
10  B4R0.1  C[C@H](O)CO HY-79334R [0,1,0,0,0,0|1,0,0]=2
11  B4R0.1  N=C(N)NN HY-B1041R [0,1,0,0,0,0|2,0,1]=4
12  B4R0.1  O=P(=O)OO HY-B2243H [0,1,0,0,0,0|3,0,0]=4
13  B4R0.2  CCO[13CH]=O HY-W747621 [0,1,0,0,0,0|1,0,2]=4
14  B4R0.2  O=NOO[Na] HY-155386 [0,1,0,0,0,0|3,0,0]=4
15  B1R0.1  C[V] HY-P991567 [2,0,0,0,0,0|1,0,0]=3
16  B5R0.3  CCC(=O)O[Na] HY-B1773AR [0,2,0,0,0,0|1,0,1]=4
17  B5R0.3  O=C(CO)CO HY-Y0335R [0,2,0,0,0,0|1,0,0]=3
18  B5R0.3  O=C[C@H](O)CO HY-W008507 [0,2,0,0,0,0|1,0,0]=3
19  B5R0.3  O=[13CH][13CH](O)[13CH2]O HY-128748S4 [0,2,0,0,0,0|1,0,0]=3
20  B5R0.5  C[13C@H](O)C(=O)O HY-Y0479S3 [0,2,0,0,0,0|1,0,1]=4