0  B5R0.3  CCC(=O)O[Na] HY-B1773AR [0,0,0,0,0,0|2,0,0]=2
1  B5R0.3  O=C(CO)CO HY-Y0335R [0,0,0,0,0,0|2,0,1]=3
2  B5R0.3  O=C[C@H](O)CO HY-W008507 [0,0,0,0,0,0|2,0,2]=4
3  B5R0.3  O=[13CH][13CH](O)[13CH2]O HY-128748S4 [0,0,0,0,0,0|2,0,2]=4
4  B4R0.1  C=CC(=O)O HY-W243303J [1,0,0,0,0,0|1,0,0]=2
5  B4R0.1  C=CC(N)=O HY-W115727D [1,0,0,0,0,0|1,0,0]=2
6  B4R0.1  CC[C@@H](C)O HY-W087952R [1,0,0,0,0,0|0,0,3]=4
7  B4R0.2  CCO[13CH]=O HY-W747621 [1,0,0,0,0,0|2,0,0]=3
8  B6R0.1  CCOC(=O)CN HY-148666 [0,1,0,0,0,0|1,0,1]=3
9  B6R0.1  CCOC(=O)[13CH2]N HY-76204S [0,1,0,0,0,0|1,0,1]=3
10  B6R0.1  COC(=O)N=C=O HY-W178414 [0,1,0,0,0,0|2,0,1]=4
11  B6R0.3  CCC(Br)C(=O)O HY-W015333R [0,1,0,0,0,0|2,0,1]=4
12  B6R0.3  CCC(N)C(=O)O HY-W010590R [0,1,0,0,0,0|2,0,1]=4
13  B6R0.3  COC(=O)C(C)C HY-172377A [0,1,0,0,0,0|1,0,1]=3
14  B6R0.3  C\C=C(/C)C(=O)O HY-W012999R [0,1,0,0,0,0|2,0,1]=4
15  B6R1.2  O=C1CCOC1 HY-33900R [0,0,0,1,0,0|1,0,1]=3
16  B3R0.1  O=CC=O HY-Y0785 [2,0,0,0,0,0|1,0,0]=3
17  B5R0.4  C=C[N+](C)(C)C HY-W106467 [1,1,0,0,0,0|2,0,0]=4
18  B5R0.5  CC(=O)N(C)C HY-W042416R [1,1,0,0,0,0|1,0,1]=4
19  B5R0.5  C[13C@H](O)C(=O)O HY-Y0479S3 [1,1,0,0,0,0|1,0,0]=3
20  B7R0.2  C[C@@H](O)CC(=O)O[Na] HY-W015851R [0,2,0,0,0,0|2,0,0]=4
21  B7R0.3  C\C=C\CC(=O)OC HY-W127411 [0,2,0,0,0,0|1,0,0]=3
22  B7R0.5  CCCC(=O)C(=O)O HY-113098R [0,2,0,0,0,0|1,0,0]=3
23  B7R0.5  CCOC(=O)C(C)=O HY-Y1362R [0,2,0,0,0,0|0,0,1]=3
24  B7R1.1  O=CC1=CC=CN1 HY-77817R [0,1,0,1,0,0|1,0,1]=4
25  B7R1.3  O=C1C=CC=CN1 HY-Y0191R [0,1,0,1,0,0|0,0,2]=4
26  B7R1.4  N[C@H]1CONC1=O HY-B1122R [0,1,0,1,0,0|2,0,0]=4