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|2,0,1]=3
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|1,0,0]=1
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|1,0,1]=3
7  B10R0.71  ClCCCCCCCCCCl CS20560 [1,0,0,0,0,0|2,0,0]=3
8  B10R0.71  ClCCCCOCCCCCl MC21038 [1,0,0,0,0,0|3,0,0]=4
9  B12R0.1  CCCCCCCCS(=O)CCO MC437764 [0,1,0,0,0,0|1,0,2]=4
10  B12R0.5  C=COOOCCCCCCCC MC438042 [0,1,0,0,0,0|3,0,0]=4
11  B12R0.5  OCCCCCCCCCCCBr MC10312 [0,1,0,0,0,0|0,0,2]=3
12  B12R0.5  OCCCCCCCCCCCO CS15877 [0,1,0,0,0,0|0,0,2]=3
13  B12R0.234  C=CCCCCCCCCC(=O)O MC41958 [0,1,0,0,0,0|0,0,2]=3
14  B12R0.234  O=C(O)\C=C\CCCCCCCO CS13683 [0,1,0,0,0,0|1,0,2]=4
15  B9R0.45  CCCCCCCCNC CS15827 [2,0,0,0,0,0|1,0,0]=3
16  B9R0.45  ClCCCCCCCCCl CS20556 [2,0,0,0,0,0|2,0,0]=4
17  B9R0.45  OCCCCCCCCBr CS14609 [2,0,0,0,0,0|1,0,1]=4
18  B9R0.45  OCCCCCCCCO CS20567 [2,0,0,0,0,0|1,0,1]=4
19  B11R0.148  CCCCCCC\C=C\C(=O)O MC424008 [1,1,0,0,0,0|0,0,2]=4
20  B11R0.148  O=C(O)CCCCCCCCBr CS21300 [1,1,0,0,0,0|1,0,0]=3
21  B13R0.54  O=C(O)CCCCCCCCCCBr MC41865 [0,2,0,0,0,0|0,0,0]=2
22  B13R0.147  CCCCCCC\C=C\CC(=O)CC MC114620 [0,2,0,0,0,0|0,0,2]=4
23  B13R0.280  CCCCCCCCCCS(=O)(=O)[O-] MC445023 [0,2,0,0,0,0|1,0,0]=3
24  B13R1.279  NC1CCCCCCCCCCC1 MC428212 [0,1,0,1,0,0|1,0,1]=4
25  B13R1.463  CCOC(=O)C1CCCCCC1=O MC429046 [0,1,0,1,0,0|1,0,1]=4
26  B13R2.15  O=C1CCCN1C2CCNCC2 CS15402 [0,0,0,2,0,0|2,0,0]=4
27  B13R2.32  CN1C(=O)COC2CCCCC21 MC425873 [0,0,0,2,0,0|2,0,0]=4