0  B11R0.3  C=COOOCCCCCCC MC437723 [0,0,0,0,0,0|4,0,0]=4
1  B11R0.3  CCCCCCCCNCCN MC106937 [0,0,0,0,0,0|2,0,2]=4
2  B11R0.3  CCCCCCCCOCCO MC437001 [0,0,0,0,0,0|1,0,2]=3
3  B11R0.3  CCCCCOCCOCCO MC436946 [0,0,0,0,0,0|2,0,2]=4
4  B11R0.3  O=CCCCCCCCCCBr MC114611 [0,0,0,0,0,0|2,0,0]=2
5  B10R0.71  BrCCCCCCCCCBr CS20559 [1,0,0,0,0,0|2,0,0]=3
6  B10R0.71  C=CCCCCCCCCBr CS20576 [1,0,0,0,0,0|1,0,0]=2
7  B10R0.71  C=COOOCCCCCC MC437734 [1,0,0,0,0,0|3,0,0]=4
8  B10R0.71  ClCCCCCCCCCCl CS20560 [1,0,0,0,0,0|2,0,0]=3
9  B10R0.71  ClCCCCOCCCCCl MC21038 [1,0,0,0,0,0|3,0,0]=4
10  B12R0.1  CCCCCCCCS(=O)CCO MC437764 [0,1,0,0,0,0|1,0,2]=4
11  B12R0.5  C=COOOCCCCCCCC MC438042 [0,1,0,0,0,0|3,0,0]=4
12  B12R0.5  OCCCCCCCCCCCBr MC10312 [0,1,0,0,0,0|0,0,2]=3
13  B12R0.5  OCCCCCCCCCCCO CS15877 [0,1,0,0,0,0|0,0,2]=3
14  B12R0.234  C=CCCCCCCCCC(=O)O MC41958 [0,1,0,0,0,0|0,0,1]=2
15  B12R0.234  O=C(O)\C=C\CCCCCCCO CS13683 [0,1,0,0,0,0|1,0,2]=4
16  B9R0.45  C#CCCCCCCCO MC424005 [2,0,0,0,0,0|0,0,2]=4
17  B9R0.45  CCCCCCCCNC CS15827 [2,0,0,0,0,0|1,0,1]=4
18  B9R0.45  ClCCCCCCCCCl CS20556 [2,0,0,0,0,0|2,0,0]=4
19  B9R0.45  OCCCCCCCCBr CS14609 [2,0,0,0,0,0|1,0,0]=3
20  B9R0.45  OCCCCCCCCO CS20567 [2,0,0,0,0,0|1,0,0]=3
21  B11R0.148  O=C(O)CCCCCCCCBr CS21300 [1,1,0,0,0,0|1,0,1]=4
22  B13R0.54  O=C(O)CCCCCCCCCCBr MC41865 [0,2,0,0,0,0|1,0,1]=4
23  B11R1.4  OCCCCOC1CCCO1 MC106866 [1,0,0,1,0,0|2,0,0]=4