0  B11R0.148  CCCCCCC\C=C\C(=O)O MC424008 [0,0,0,0,0,0|0,0,0]=0
1  B11R0.148  COCCOCCOCC(=O)O MC10459 [0,0,0,0,0,0|3,0,1]=4
2  B11R0.148  O=C(O)CCCCCCCCBr CS21300 [0,0,0,0,0,0|1,0,2]=3
3  B10R0.4  CCCCCCCCB(O)O MC31112 [1,0,0,0,0,0|1,0,2]=4
4  B10R0.4  CCCCCC\C=C\B(O)O MC425764 [1,0,0,0,0,0|1,0,1]=3
5  B12R0.234  C=CCCCCCCCCC(=O)O MC41958 [0,1,0,0,0,0|0,0,3]=4
6  B12R0.234  O=C(O)\C=C\CCCCCCCO CS13683 [0,1,0,0,0,0|0,0,0]=1
7  B12R0.251  CCCCCCCCC(N)C(=O)O MC428037 [0,1,0,0,0,0|0,0,2]=3
8  B9R0.2  CCCCCCCC(=O)Cl MC40496 [2,0,0,0,0,0|1,0,0]=3
9  B9R0.2  CCCCCCOC(=O)Cl CS11449 [2,0,0,0,0,0|2,0,0]=4
10  B9R0.2  CCCSCCCC(=O)O MC112372 [2,0,0,0,0,0|1,0,0]=3
11  B9R0.2  NCCCCCCC(=O)O CS10138 [2,0,0,0,0,0|1,0,0]=3
12  B9R0.2  O=C(O)CCCCCCO CS10820 [2,0,0,0,0,0|1,0,0]=3
13  B11R0.2  CCCCCCC(C)CC(=O)O MC112332 [1,1,0,0,0,0|0,0,1]=3
14  B11R0.159  CCCCCCCCS(=O)(=O)O MC32083 [1,1,0,0,0,0|1,0,1]=4
15  B11R0.3  O=CCCCCCCCCCBr MC114611 [1,1,0,0,0,0|0,0,2]=4
16  B13R0.54  O=C(O)CCCCCCCCCCBr MC41865 [0,2,0,0,0,0|0,0,2]=4
17  B13R0.147  CCCCCCC\C=C\CC(=O)CC MC114620 [0,2,0,0,0,0|1,0,0]=3
18  B11R1.91  O=C(O)C#CC1CCCCC1 CS16585 [1,0,0,1,0,0|0,0,2]=4
19  B11R1.4  CCCCCCC1=CC=CS1 CS21710 [1,0,0,1,0,0|0,1,1]=4
20  B13R1.348  O=C(O)CC(=O)OC1CCCCC1 MC110598 [0,1,0,1,0,0|1,0,1]=4
21  B13R2.435  O=C(O)C1CC2CCCCC2N1 CS21273 [0,0,0,2,0,0|1,0,1]=4
22  B13R2.435  O=C(O)C1CC2CCCCC2N1 CS21274 [0,0,0,2,0,0|1,0,1]=4
23  B13R2.435  O=C(O)C1CC2CCCCC2N1 MC439601 [0,0,0,2,0,0|1,0,1]=4
24  B13R2.435  O=C(O)C1CC2CCCCC2N1 MC439602 [0,0,0,2,0,0|1,0,1]=4