0  B11R0.3  CCCCCCCCNCCN MC106937 [0,0,0,0,0,0|2,0,1]=3
1  B11R0.3  CCCCCCCCOCCO MC437001 [0,0,0,0,0,0|1,0,1]=2
2  B11R0.3  CCCCCOCCOCCO MC436946 [0,0,0,0,0,0|2,0,1]=3
3  B10R0.71  BrCCCCCCCCCBr CS20559 [1,0,0,0,0,0|2,0,1]=4
4  B10R0.71  C=CCCCCCCCCBr CS20576 [1,0,0,0,0,0|1,0,2]=4
5  B10R0.71  ClCCCCCCCCCCl CS20560 [1,0,0,0,0,0|2,0,1]=4
6  B12R0.1  CCCCCCCCS(=O)CCO MC437764 [0,1,0,0,0,0|1,0,1]=3
7  B12R0.1  CCOC(=O)CCCCCCCBr CS14864 [0,1,0,0,0,0|3,0,0]=4
8  B12R0.5  OCCCCCCCCCCCBr MC10312 [0,1,0,0,0,0|0,0,2]=3
9  B12R0.5  OCCCCCCCCCCCO CS15877 [0,1,0,0,0,0|0,0,2]=3
10  B12R0.234  O=C(O)\C=C\CCCCCCCO CS13683 [0,1,0,0,0,0|1,0,1]=3
11  B9R0.45  C#CCCCCCCCO MC424005 [2,0,0,0,0,0|0,0,2]=4
12  B9R0.45  CCCCCCCCNC CS15827 [2,0,0,0,0,0|1,0,0]=3
13  B9R0.45  ClCCCCCCCCCl CS20556 [2,0,0,0,0,0|2,0,0]=4
14  B9R0.45  OCCCCCCCCBr CS14609 [2,0,0,0,0,0|1,0,0]=3
15  B9R0.45  OCCCCCCCCO CS20567 [2,0,0,0,0,0|1,0,0]=3
16  B11R0.4  CCCCCCCC(=O)OCC CS14101 [1,1,0,0,0,0|2,0,0]=4
17  B11R0.148  CCCCCCC\C=C\C(=O)O MC424008 [1,1,0,0,0,0|0,0,1]=3
18  B11R0.148  O=C(O)CCCCCCCCBr CS21300 [1,1,0,0,0,0|1,0,1]=4
19  B13R0.147  CCCCCCC\C=C\CC(=O)CC MC114620 [0,2,0,0,0,0|1,0,1]=4
20  B13R1.119  CCCCCCCCC1=CSC=C1 MC445759 [0,1,0,1,0,0|0,1,1]=4