0  B5R0.2  NCCCCN HMDB0001414 [0,0,0,0,0,0|2,0,0]=2
1  B4R0.2  C=CCSC HMDB0031653 [1,0,0,0,0,0|0,0,2]=3
2  B4R0.2  CSSSC HMDB0013780 [1,0,0,0,0,0|2,0,0]=3
3  B4R0.2  NCCCN HMDB0000002 [1,0,0,0,0,0|1,0,0]=2
4  B6R0.1  CCCC(=O)CC HMDB0000753 [0,1,0,0,0,0|2,0,1]=4
5  B6R0.1  CCCC(=O)CO HMDB0059678 [0,1,0,0,0,0|2,0,1]=4
6  B6R0.4  CCCCC(=O)O HMDB0000892 [0,1,0,0,0,0|2,0,1]=4
7  B6R0.4  CCCCC(C)=O HMDB0005842 [0,1,0,0,0,0|2,0,0]=3
8  B6R0.4  CSCCC(=O)O HMDB0001527 [0,1,0,0,0,0|1,0,1]=3
9  B6R0.4  NCCCC(=O)O HMDB0000112 [0,1,0,0,0,0|2,0,0]=3
10  B6R0.4  O=C(O)CCCO HMDB0000710 [0,1,0,0,0,0|3,0,0]=4
11  B6R0.6  CCCCCC=O HMDB0005994 [0,1,0,0,0,0|2,0,0]=3
12  B6R0.6  ClCCNCCCl HMDB0060688 [0,1,0,0,0,0|3,0,0]=4
13  B6R0.6  NCCCCCN HMDB0002322 [0,1,0,0,0,0|1,0,0]=2
14  B6R0.6  OCCNCCO HMDB0004437 [0,1,0,0,0,0|3,0,0]=4
15  B6R1.1  C1CCNCC1 HMDB0034301 [0,0,0,1,0,0|1,0,0]=2
16  B6R1.1  C1CNCCN1 HMDB0014730 [0,0,0,1,0,0|2,0,0]=3
17  B6R1.1  C1CSCSC1 HMDB0031473 [0,0,0,1,0,0|1,0,0]=2
18  B3R0.1  CSSC HMDB0005879 [2,0,0,0,0,0|1,0,0]=3
19  B3R0.1  NCCN HMDB0031225 [2,0,0,0,0,0|1,0,0]=3
20  B3R0.1  NCCO HMDB0000149 [2,0,0,0,0,0|0,1,0]=3
21  B3R0.1  NCCS HMDB0002991 [2,0,0,0,0,0|0,0,0]=2
22  B5R0.1  CC(C)CC=O HMDB0006478 [1,1,0,0,0,0|1,0,1]=4
23  B5R0.1  CCCC(=O)O HMDB0000039 [1,1,0,0,0,0|1,0,1]=4
24  B5R0.1  CCCC(C)=O HMDB0034235 [1,1,0,0,0,0|1,0,0]=3
25  B5R0.1  CCOC(C)=O HMDB0031217 [1,1,0,0,0,0|2,0,0]=4
26  B5R0.1  NCCC(=O)O HMDB0000056 [1,1,0,0,0,0|0,1,1]=4
27  B5R0.1  NCCS(=O)O HMDB0000965 [1,1,0,0,0,0|1,0,1]=4
28  B5R0.3  OCC(O)CO HMDB0000131 [1,1,0,0,0,0|1,1,0]=4
29  B5R0.3  OCC(S)CS HMDB0015677 [1,1,0,0,0,0|1,0,0]=3
30  B7R0.5  CSC[C@H](N)C(=O)O HMDB0002108 [0,2,0,0,0,0|1,0,1]=4
31  B7R0.5  NCCC(N)C(=O)O HMDB0002362 [0,2,0,0,0,0|2,0,0]=4
32  B7R0.5  NCC[C@H](N)C(=O)O HMDB0006284 [0,2,0,0,0,0|2,0,0]=4
33  B7R0.7  CCCC(=O)CCC HMDB0004814 [0,2,0,0,0,0|2,0,0]=4
34  B7R0.4  CCCCCC(=O)O HMDB0000535 [0,2,0,0,0,0|2,0,0]=4
35  B7R0.4  CCCCCC(C)=O HMDB0003671 [0,2,0,0,0,0|2,0,0]=4
36  B7R0.4  NCCCCC(=O)O HMDB0003355 [0,2,0,0,0,0|1,0,1]=4
37  B7R0.4  NCCOCC(=O)O HMDB0060587 [0,2,0,0,0,0|2,0,0]=4
38  B7R0.6  CC(=O)CCC(C)C HMDB0031549 [0,2,0,0,0,0|2,0,0]=4
39  B7R0.1  CCCCCON=O HMDB0015550 [0,2,0,0,0,0|1,0,1]=4