0  B9R0.45  CCCCCCCCCO DB03143 [0,0,0,0,0,0|0,0,2]=2
1  B9R0.45  CCCCCCCNC=O DB04105 [0,0,0,0,0,0|1,0,0]=1
2  B9R0.45  CCOCCOCCOC DB03508 [0,0,0,0,0,0|4,0,0]=4
3  B9R0.45  NCCCCCCCCN DB04333 [0,0,0,0,0,0|2,0,1]=3
4  B9R0.45  NCCCCNCCCN DB03566 [0,0,0,0,0,0|3,0,1]=4
5  B10R0.1  [C@@H](C)(CCCCCC)\N=C\O DB02131 [0,1,0,0,0,0|1,0,1]=3
6  B10R0.71  CCCCCCCCCCS DB07611 [0,1,0,0,0,0|0,1,1]=3
7  B7R0.1  NCCCCCCN DB03260 [2,0,0,0,0,0|2,0,0]=4
8  B7R0.1  OCCCCCCBr DB04637 [2,0,0,0,0,0|1,0,1]=4
9  B7R0.1  OCCCCCCO DB02210 [2,0,0,0,0,0|1,0,1]=4
10  B9R0.2  CCCCCCCC(=O)O DB04519 [1,1,0,0,0,0|0,0,0]=2
11  B9R0.5  CCCCC[C@H](C)NC=O DB03061 [1,1,0,0,0,0|1,0,0]=3
12  B9R0.46  [C@@H](N)(C=O)CSSCCC DB03654 [1,1,0,0,0,0|2,0,0]=4
13  B11R0.176  [C@H](S)(CCS)CCCCC(=O)O DB03760 [0,2,0,0,0,0|1,0,0]=3
14  B11R0.176  [C@H](S)(CCS)CCCCC(N)=O DB08120 [0,2,0,0,0,0|1,0,0]=3
15  B11R0.40  CCCCCCCCC(=O)OC DB01631 [0,2,0,0,0,0|0,0,0]=2
16  B11R0.42  NCCCCCC[C@H](N)C(=O)O DB04486 [0,2,0,0,0,0|1,0,0]=3
17  B11R0.111  N[C@H](CO)CCCCNC(=O)O DB02437 [0,2,0,0,0,0|2,0,0]=4
18  B11R0.148  CCCCCCCCCC(=O)O DB03600 [0,2,0,0,0,0|0,0,0]=2
19  B11R0.148  CCCCCCCCCC(C)=O DB08688 [0,2,0,0,0,0|0,0,0]=2
20  B11R0.3  CCCCCCCCCCC=O DB04093 [0,2,0,0,0,0|0,0,0]=2
21  B11R0.3  OCCCCCCCCNCO DB07897 [0,2,0,0,0,0|0,0,2]=4
22  B9R1.8  O=CNC1CCCCC1 DB03559 [1,0,0,1,0,0|1,0,0]=3
23  B11R1.91  O=C(O)CCC1CCCCC1 DB02242 [0,1,0,1,0,0|0,0,0]=2
24  B11R1.28  O=CCCCC1CCNCC1 DB04654 [0,1,0,1,0,0|0,0,0]=2
25  B11R1.40  N[C@H](CO)CC1CCCCC1 DB04387 [0,1,0,1,0,0|0,0,2]=4