0  B13R1.27  CCCCCCCC1CCC(=O)O1 240934 [0,0,0,0,0,0|0,0,0]=0
1  B12R0.234  C=CCCCCCCCCC(=O)O 228026 [0,0,1,0,0,0|0,0,2]=3
2  B12R0.234  C=CCCCCCCCCC(=O)O 386316 [0,0,1,0,0,0|0,0,2]=3
3  B12R0.234  CCCCCCCCCCN(C)C 460597 [0,0,1,0,0,0|3,0,0]=4
4  B12R0.234  O=C(O)CCCCCCCCCBr 215643 [0,0,1,0,0,0|1,0,0]=2
5  B12R0.248  CCCCCCCCCC(=O)NC 104822 [0,0,1,0,0,0|2,0,0]=3
6  B11R0.148  C=CCCCCCCCC(=O)O 002775 [1,0,1,0,0,0|0,0,2]=4
7  B11R0.148  CCCCCCCCCC(=O)Cl 099542 [1,0,1,0,0,0|1,0,0]=3
8  B11R0.148  CCCCCCCCCC(=O)O 102961 [1,0,1,0,0,0|0,0,0]=2
9  B11R0.148  CCCCCCCCCC(C)=O 106727 [1,0,1,0,0,0|1,0,0]=3
10  B11R0.148  CCCCCCCCCC(N)=O 180363 [1,0,1,0,0,0|1,0,0]=3
11  B11R0.148  O=C(O)CCCCCCCCBr 036989 [1,0,1,0,0,0|1,0,0]=3
12  B11R0.3  C=CCCCCCCCCCBr 001789 [1,0,1,0,0,0|2,0,0]=4
13  B11R0.3  C=CCCCCCCCCCC 200052 [1,0,1,0,0,0|1,0,0]=3
14  B11R0.3  C=CCCCCCCCCCCl 005335 [1,0,1,0,0,0|2,0,0]=4
15  B11R0.3  C=CCCCCCCCCCO 075031 [1,0,1,0,0,0|2,0,0]=4
16  B11R0.3  CCCCCCCCCCCC 099221 [1,0,1,0,0,0|1,0,1]=4
17  B11R0.3  CCCCCCCCCCCO 349306 [1,0,1,0,0,0|0,0,1]=3
18  B11R0.3  CCCCCCCCNCCC 105042 [1,0,1,0,0,0|1,0,1]=4
19  B11R0.3  CCCCCCCC\C=C\C=O 104010 [1,0,1,0,0,0|0,0,2]=4
20  B11R0.3  CNCCCCCCCCCO 104744 [1,0,1,0,0,0|1,0,1]=4
21  B11R0.3  C\C=C\CCCCCCCC=O 104614 [1,0,1,0,0,0|0,0,2]=4
22  B11R0.3  OCCCCCCCCCCO 221944 [1,0,1,0,0,0|1,0,1]=4
23  B11R0.40  CNC(=O)CCCCCCCBr 104471 [1,0,1,0,0,0|2,0,0]=4
24  B11R1.27  CCCCCC1CCC(=O)O1 517774 [2,0,0,0,0,0|0,0,0]=2
25  B13R0.438  CCCCCCC(O)C(C)CC(N)=O 104660 [0,1,1,0,0,0|2,0,0]=4
26  B13R0.154  CCCCCCCC(O)CCC(N)=O 104685 [0,1,1,0,0,0|0,0,0]=2
27  B13R0.54  CCCCCCCCCCCC(=O)Cl 510088 [0,1,1,0,0,0|1,0,0]=3
28  B13R0.54  CCCCCCCCCCCC(=O)O 098848 [0,1,1,0,0,0|0,0,0]=2
29  B13R0.54  CCCCCCCCCCCC(C)=O 232943 [0,1,1,0,0,0|1,0,0]=3
30  B13R0.54  NC(=O)CCCCCCCCCCBr 104898 [0,1,1,0,0,0|1,0,0]=3
31  B13R0.54  NCCCCCCCCCCC(=O)O 239061 [0,1,1,0,0,0|0,0,0]=2
32  B13R0.54  O=C(Cl)CCCCCCCCCCBr 477866 [0,1,1,0,0,0|1,0,0]=3
33  B13R0.54  O=C(O)CCCCCCCCCCBr 216501 [0,1,1,0,0,0|0,0,0]=2
34  B13R0.54  O=C(O)CCCCCCCCCCO 008686 [0,1,1,0,0,0|0,0,0]=2
35  B13R0.179  O=C(O)CCCCCCCCC(=O)O 239585 [0,1,1,0,0,0|1,0,1]=4
36  B13R0.280  CCCCCCCCCCS(=O)(=O)[O-] 009634 [0,1,1,0,0,0|1,0,1]=4
37  B13R1.190  CCCCCCC1OC(=O)CC1C 238415 [1,1,0,0,0,0|0,0,0]=2
38  B13R1.337  O=C(O)CCCCC1CCCCC1 105833 [0,0,1,1,0,0|0,0,0]=2