0  B9R0.45  CCCCCCCCCO C14696 [0,0,0,0,0,0|0,0,2]=2
1  B9R0.45  CC\C=C/CC\C=C\C=O C08499 [0,0,0,0,0,0|0,0,4]=4
2  B9R0.45  CSCCCCC\C=N\O C17246 [0,0,0,0,0,0|2,0,1]=3
3  B9R0.45  OCCCCCCCCO C14218 [0,0,0,0,0,0|1,0,2]=3
4  B8R0.4  CCCCCCCC=O C01545 [1,0,0,0,0,0|0,0,2]=3
5  B8R0.4  CCCCCCCCN C01740 [1,0,0,0,0,0|1,0,1]=3
6  B8R0.4  CCCCCCCCO C00756 [1,0,0,0,0,0|0,0,1]=2
7  B8R0.4  CCCCC\C=C\C=O C21138 [1,0,0,0,0,0|0,0,2]=3
8  B8R0.4  CSCCCC\C=N\O C17245 [1,0,0,0,0,0|2,0,0]=3
9  B10R0.4  CCCCCCCCC(=O)O C01601 [0,1,0,0,0,0|0,0,3]=4
10  B10R0.71  CCCC#CC#C\C=C\CO C17965 [0,1,0,0,0,0|0,0,3]=4
11  B10R0.71  CCCCCCCCCC=O C12307 [0,1,0,0,0,0|0,0,3]=4
12  B10R0.71  CCCCCCCCCCO C01633 [0,1,0,0,0,0|0,0,2]=3
13  B10R0.71  CSCCCCCC\C=N\O C17249 [0,1,0,0,0,0|1,0,1]=3
14  B10R0.74  [*]NC(=O)CCCCCCC C16236 [0,1,0,0,0,0|2,0,1]=4
15  B10R0.74  [*]SC(=O)CCCCCCC C05752 [0,1,0,0,0,0|2,0,1]=4
16  B10R0.74  [*]SC(=O)\C=C\CCCCC C05751 [0,1,0,0,0,0|2,0,1]=4
17  B10R0.91  CCCCCC(O)\C=C\C=O C21642 [0,1,0,0,0,0|0,0,2]=3
18  B7R0.1  CCCCCCC=O C14390 [2,0,0,0,0,0|0,0,1]=3
19  B7R0.1  CCCCCCCC C01387 [2,0,0,0,0,0|0,0,1]=3
20  B7R0.1  CCCCOCCO C19355 [2,0,0,0,0,0|1,0,0]=3
21  B7R0.1  CSCCC\C=N\O C17241 [2,0,0,0,0,0|2,0,0]=4
22  B7R0.1  CSCCC\C=N\O C21535 [2,0,0,0,0,0|2,0,0]=4
23  B9R0.2  CCCCCCCC(=O)O C06423 [1,1,0,0,0,0|0,0,1]=3
24  B9R0.2  O=C(O)CCCCCCS C16593 [1,1,0,0,0,0|1,0,1]=4
25  B9R0.46  CCCCCCC(O)CO C14273 [1,1,0,0,0,0|0,0,1]=3
26  B11R0.4  CCCCCCCC(=O)OCC C12292 [0,2,0,0,0,0|1,0,1]=4
27  B11R0.148  CCCCCCCCCC(=O)O C01571 [0,2,0,0,0,0|0,0,2]=4
28  B11R0.3  CCCCCCCCSCCO C18863 [0,2,0,0,0,0|0,0,2]=4
29  B11R0.3  CSCCCCCCC\C=N\O C17251 [0,2,0,0,0,0|1,0,1]=4
30  B9R1.5  CC1CCCCOC1=O C10976 [1,0,0,1,0,0|1,0,1]=4
31  B9R1.8  CCC[C@H]1CCCCN1 C06523 [1,0,0,1,0,0|1,0,1]=4
32  B9R1.8  O=CNC1CCCCC1 C11519 [1,0,0,1,0,0|1,0,1]=4
33  B11R1.180  CCCCCC1CCN=C1C C21571 [0,1,0,1,0,0|2,0,0]=4
34  B11R1.27  CCCCC[C@H]1CCC(=O)O1 C08501 [0,1,0,1,0,0|2,0,0]=4
35  B11R2.191  [C@@H]12CCCN1CC=C2CO C10400 [0,0,0,2,0,0|1,0,0]=3