0  B4R0.2  C=CCSC HMDB0031653 [0,0,0,0,0,0|1,0,1]=2
1  B4R0.2  CSSSC HMDB0013780 [0,0,0,0,0,0|1,0,0]=1
2  B4R0.2  NCCCN HMDB0000002 [0,0,0,0,0,0|4,0,0]=4
3  B4R0.2  O=CCC=O HMDB0006112 [0,0,0,0,0,0|4,0,0]=4
4  B3R0.1  C(=O)CCl HMDB0013860 [1,0,0,0,0,0|3,0,0]=4
5  B3R0.1  CSSC HMDB0005879 [1,0,0,0,0,0|0,0,0]=1
6  B3R0.1  NCCN HMDB0031225 [1,0,0,0,0,0|3,0,0]=4
7  B3R0.1  NCCO HMDB0000149 [1,0,0,0,0,0|2,1,0]=4
8  B3R0.1  NCCS HMDB0002991 [1,0,0,0,0,0|2,0,0]=3
9  B5R0.1  C=CCS(C)=O HMDB0112254 [0,1,0,0,0,0|1,0,2]=4
10  B5R0.1  CC(C)CC=O HMDB0006478 [0,1,0,0,0,0|3,0,0]=4
11  B5R0.1  CCCC(=O)O HMDB0000039 [0,1,0,0,0,0|3,0,0]=4
12  B5R0.1  CCCC(C)=O HMDB0034235 [0,1,0,0,0,0|2,0,0]=3
13  B5R0.1  CCOC(C)=O HMDB0031217 [0,1,0,0,0,0|3,0,0]=4
14  B5R0.1  CNCC(=O)O HMDB0000271 [0,1,0,0,0,0|3,0,0]=4
15  B5R0.2  NCCCCN HMDB0001414 [0,1,0,0,0,0|3,0,0]=4
16  B2R0.1  CC=O HMDB0000990 [2,0,0,0,0,0|0,1,1]=4
17  B2R0.1  CCN HMDB0013231 [2,0,0,0,0,0|1,0,0]=3
18  B2R0.1  CCO HMDB0000108 [2,0,0,0,0,0|0,1,0]=3
19  B2R0.1  CNC HMDB0000087 [2,0,0,0,0,0|1,0,0]=3
20  B2R0.1  CSC HMDB0002303 [2,0,0,0,0,0|0,0,0]=2
21  B4R0.1  CC(=O)CN HMDB0002134 [1,1,0,0,0,0|2,0,0]=4
22  B4R0.1  CC(=O)CO HMDB0006961 [1,1,0,0,0,0|1,1,0]=4
23  B4R0.1  CC(N)CN HMDB0013136 [1,1,0,0,0,0|2,0,0]=4
24  B4R0.1  CC(O)CO HMDB0001881 [1,1,0,0,0,0|1,1,0]=4
25  B4R0.1  CCC(=O)O HMDB0000237 [1,1,0,0,0,0|2,0,0]=4
26  B4R0.1  CCC(C)=O HMDB0000474 [1,1,0,0,0,0|1,0,0]=3
27  B6R0.1  CCCC(=O)CC HMDB0000753 [0,2,0,0,0,0|2,0,0]=4
28  B6R0.1  CCCC(=O)CO HMDB0059678 [0,2,0,0,0,0|2,0,0]=4
29  B6R0.2  CC(=O)CC(C)C HMDB0002939 [0,2,0,0,0,0|2,0,0]=4
30  B6R0.4  CCCCC(C)=O HMDB0005842 [0,2,0,0,0,0|2,0,0]=4
31  B6R0.4  CSCCC(=O)O HMDB0001527 [0,2,0,0,0,0|1,0,1]=4
32  B6R0.6  C=CCSCC=C HMDB0036491 [0,2,0,0,0,0|1,0,1]=4
33  B6R0.6  CCCCCC=O HMDB0005994 [0,2,0,0,0,0|2,0,0]=4
34  B6R0.6  NCCCCCN HMDB0002322 [0,2,0,0,0,0|2,0,0]=4
35  B6R1.1  C1CCNCC1 HMDB0034301 [0,1,0,1,0,0|2,0,0]=4
36  B6R1.1  C1CNCCN1 HMDB0014730 [0,1,0,1,0,0|2,0,0]=4
37  B6R1.1  C1CSCSC1 HMDB0031473 [0,1,0,1,0,0|0,0,0]=2