0  B12R0.5  CCCCCCCCCCCC=O 099711 [1,0,0,0,0,0|2,0,1]=4
1  B12R0.234  C=CCCCCCCCCC(=O)O 228026 [1,0,0,0,0,0|0,0,0]=1
2  B12R0.234  C=CCCCCCCCCC(=O)O 386316 [1,0,0,0,0,0|0,0,0]=1
3  B12R0.234  O=C(O)CCCCCCCCCBr 215643 [1,0,0,0,0,0|1,0,1]=3
4  B12R0.248  CCCCCCCCCC(=O)NC 104822 [1,0,0,0,0,0|1,0,1]=3
5  B14R0.305  COC(=O)CCCCCCCCC(=O)Cl 102604 [0,1,0,0,0,0|1,0,0]=2
6  B14R0.305  COC(=O)CCCCCCCCC(=O)O 105807 [0,1,0,0,0,0|1,0,0]=2
7  B14R0.337  CCCCCCCCCCCC(=O)CC 188340 [0,1,0,0,0,0|1,0,2]=4
8  B14R0.337  COC(=O)CCCCCCCCCCBr 102375 [0,1,0,0,0,0|0,0,2]=3
9  B14R1.4408  O=C1CCCCCCCCCCCN1 099030 [0,0,0,1,0,0|1,0,2]=4
10  B11R0.3  C=CCCCCCCCCCBr 001789 [2,0,0,0,0,0|1,0,1]=4
11  B11R0.3  C=CCCCCCCCCCC 200052 [2,0,0,0,0,0|0,0,1]=3
12  B11R0.3  C=CCCCCCCCCCCl 005335 [2,0,0,0,0,0|1,0,1]=4
13  B11R0.3  C=CCCCCCCCCCO 075031 [2,0,0,0,0,0|0,0,1]=3
14  B11R0.3  C\C=C\CCCCCCCC=O 104614 [2,0,0,0,0,0|0,0,2]=4
15  B11R0.148  C=CCCCCCCCC(=O)O 002775 [2,0,0,0,0,0|0,0,0]=2
16  B11R0.148  CCCCCCCCCC(=O)Cl 099542 [2,0,0,0,0,0|1,0,1]=4
17  B11R0.148  CCCCCCCCCC(=O)O 102961 [2,0,0,0,0,0|0,0,1]=3
18  B11R0.148  CCCCCCCCCC(C)=O 106727 [2,0,0,0,0,0|0,0,1]=3
19  B11R0.148  CCCCCCCCCC(N)=O 180363 [2,0,0,0,0,0|1,0,1]=4
20  B11R0.148  O=C(O)CCCCCCCCBr 036989 [2,0,0,0,0,0|1,0,0]=3
21  B11R0.40  CCCCCCC#CC(=O)OC 106728 [2,0,0,0,0,0|0,0,2]=4
22  B11R0.40  CNC(=O)CCCCCCCBr 104471 [2,0,0,0,0,0|2,0,0]=4
23  B13R0.179  O=C(Cl)CCCCCCCCC(=O)Cl 245759 [1,1,0,0,0,0|2,0,0]=4
24  B13R0.179  O=C(O)CCCCCCCCC(=O)O 239585 [1,1,0,0,0,0|1,0,0]=3
25  B15R0.366  CCCCCCCCCCCC(=O)OCC 140800 [0,2,0,0,0,0|0,0,2]=4
26  B15R0.366  CCOC(=O)CCCCCCCCCCBr 051098 [0,2,0,0,0,0|0,0,2]=4
27  B13R1.27  CCCCCCCC1CCC(=O)O1 240934 [1,0,0,1,0,0|0,0,2]=4
28  B13R1.337  O=C(O)CCCCC1CCCCC1 105833 [1,0,0,1,0,0|0,0,2]=4