0  B8R0.4  COCCOCCOC DB02935 [0,0,0,0,0,0|2,1,0]=3
1  B7R0.1  NCCCCCCN DB03260 [1,0,0,0,0,0|2,0,0]=3
2  B7R0.1  OCCCCCCBr DB04637 [1,0,0,0,0,0|2,0,0]=3
3  B7R0.1  OCCCCCCO DB02210 [1,0,0,0,0,0|2,0,0]=3
4  B7R0.1  OCCSSCCO DB02486 [1,0,0,0,0,0|3,0,0]=4
5  B9R0.2  CCCCCCCC(=O)O DB04519 [0,1,0,0,0,0|2,0,1]=4
6  B9R0.45  CCCCCCCCCO DB03143 [0,1,0,0,0,0|1,0,0]=2
7  B9R0.45  CCCCCCCNC=O DB04105 [0,1,0,0,0,0|2,0,1]=4
8  B9R0.45  CCOCCOCCOC DB03508 [0,1,0,0,0,0|1,1,0]=3
9  B9R0.45  NCCCCCCCCN DB04333 [0,1,0,0,0,0|2,0,0]=3
10  B9R0.45  NCCCCNCCCN DB03566 [0,1,0,0,0,0|2,0,0]=3
11  B9R0.46  NCCCSC[C@H](N)CO DB04648 [0,1,0,0,0,0|2,0,0]=3
12  B9R0.46  [C@@H](N)(C=O)CSSCCC DB03654 [0,1,0,0,0,0|2,0,1]=4
13  B6R0.6  NCCCCCN DB03854 [2,0,0,0,0,0|2,0,0]=4
14  B8R0.6  C=C[C@@H](O)CCCCC DB03025 [1,1,0,0,0,0|0,0,2]=4
15  B8R0.7  CCCCCCC(=O)O DB02938 [1,1,0,0,0,0|1,0,1]=4
16  B8R0.7  CCCCCCC(N)=O DB02641 [1,1,0,0,0,0|1,0,1]=4
17  B10R0.97  CC(O)CCOCCC(C)O DB14079 [0,2,0,0,0,0|0,1,0]=3
18  B10R0.71  CCCCCCCCCCS DB07611 [0,2,0,0,0,0|1,0,0]=3
19  B10R0.71  CCOCCOCCOCC DB08357 [0,2,0,0,0,0|0,1,0]=3
20  B8R1.2  [NH3+]CC1CCCCC1 DB02435 [1,0,0,1,0,0|1,0,0]=3
21  B10R1.16  [C@H]1(CCCC)CC[S@](=O)C1 DB02871 [0,1,0,1,0,0|2,0,0]=4