0  B11R0.3  CCCCCCCCCCCI DY740761 [0,0,0,0,0,0|1,0,2]=3
1  B11R0.3  CCCCCCCC\C=C\CO DY740917 [0,0,0,0,0,0|0,0,0]=0
2  B11R0.3  FCCCCCCCCCCF DY822304 [0,0,0,0,0,0|2,0,2]=4
3  B11R0.3  OCCCCCCCCCCF DY822297 [0,0,0,0,0,0|1,0,2]=3
4  B10R0.71  BrCCCCCCCCCBr NO20559 [1,0,0,0,0,0|2,0,1]=4
5  B10R0.71  C=CCCCCCCCCBr NO20576 [1,0,0,0,0,0|1,0,2]=4
6  B10R0.71  CCCCCCCCCCBr DY822469 [1,0,0,0,0,0|1,0,1]=3
7  B10R0.71  ClCCCCCCCCCCl NO20560 [1,0,0,0,0,0|2,0,1]=4
8  B10R0.71  OCCCCCCCCCF DY822296 [1,0,0,0,0,0|1,0,1]=3
9  B10R0.71  OCCCCNCCCCO DY572229 [1,0,0,0,0,0|2,0,1]=4
10  B12R0.1  CCOC(=O)CCCCCCCBr NO14864 [0,1,0,0,0,0|3,0,0]=4
11  B12R0.5  CCC\C=C\CCCCCCCO DY822246 [0,1,0,0,0,0|2,0,0]=3
12  B12R0.5  OCCCCCCCCCCCBr DY10312 [0,1,0,0,0,0|0,0,2]=3
13  B12R0.5  OCCCCCCCCCCCO NO15877 [0,1,0,0,0,0|0,0,2]=3
14  B12R0.234  O=C(O)\C=C\CCCCCCCO NO13683 [0,1,0,0,0,0|1,0,1]=3
15  B12R0.248  CCCCCCCCCC(=O)OC DY506166 [0,1,0,0,0,0|2,0,1]=4
16  B12R1.8  OCCCCCN1CCCCC1 DY638980 [0,0,0,1,0,0|1,0,2]=4
17  B12R1.267  CN1CCCCC1CNCCO DY634548 [0,0,0,1,0,0|2,0,1]=4
18  B9R0.45  CCCCCCCCCI DY795411 [2,0,0,0,0,0|1,0,0]=3
19  B9R0.45  CCCCCCCCNC NO15827 [2,0,0,0,0,0|1,0,0]=3
20  B9R0.45  ClCCCCCCCCCl NO20556 [2,0,0,0,0,0|2,0,0]=4
21  B9R0.45  FCCCCCCCCF DY822303 [2,0,0,0,0,0|2,0,0]=4
22  B9R0.45  OCCCCCCCCBr NO14609 [2,0,0,0,0,0|1,0,0]=3
23  B9R0.45  OCCCCCCCCCl DY543033 [2,0,0,0,0,0|1,0,0]=3
24  B9R0.45  OCCCCCCCCF DY822295 [2,0,0,0,0,0|1,0,0]=3
25  B9R0.45  OCCCCCCCCO NO20567 [2,0,0,0,0,0|1,0,0]=3
26  B11R0.4  CCCCCCCC(=O)OCC NO14101 [1,1,0,0,0,0|2,0,0]=4
27  B11R0.148  CCCCCCCCOC(=O)Cl DY461292 [1,1,0,0,0,0|1,0,1]=4
28  B11R0.148  CCCCCCC\C=C\C(=O)O DY424008 [1,1,0,0,0,0|0,0,1]=3
29  B13R0.2  CCCCCCCCCC(=O)OCC DY460560 [0,2,0,0,0,0|1,0,1]=4
30  B11R1.17  CCCN[C@@H]1CCCC[C@H]1O DY604725 [1,0,0,1,0,0|1,0,1]=4
31  B11R1.28  NCCCCC1CCCCC1 DY795543 [1,0,0,1,0,0|1,0,1]=4
32  B13R1.119  CCCCCCCCN1C=CN=C1 DY725215 [0,1,0,1,0,0|2,0,0]=4
33  B13R1.27  CCCCCCCC1CCC(=O)O1 DY503703 [0,1,0,1,0,0|2,0,0]=4