0  B9R0.45  CCCCCCCCCC 05-1000 [0,0,0,0,0,0|1,0,2]=3
1  B9R0.45  CCCCCCCCCF 26-1001 [0,0,0,0,0,0|1,0,2]=3
2  B9R0.45  CCCCCCCCCO 40-0900 [0,0,0,0,0,0|0,0,2]=2
3  B9R0.45  CCCCC\C=C/CC=O 12-0903 [0,0,0,0,0,0|0,0,4]=4
4  B8R0.4  C#CCCCCCCO 08-4029 [1,0,0,0,0,0|0,0,3]=4
5  B8R0.4  CCCCCCCCC 05-0900 [1,0,0,0,0,0|0,0,2]=3
6  B8R0.4  CCCCCCCCF 09-3528 [1,0,0,0,0,0|1,0,1]=3
7  B8R0.4  CCCCCCCCO 40-0800 [1,0,0,0,0,0|0,0,1]=2
8  B8R0.4  CCCCNCCCC 26-590 [1,0,0,0,0,0|1,0,2]=4
9  B10R0.4  CCCCCCCCB(O)O 08-1232 [0,1,0,0,0,0|1,0,2]=4
10  B10R0.4  CCCCCCCCC(=O)O 10-0900 [0,1,0,0,0,0|0,0,3]=4
11  B10R0.4  CCCCCC\C=C\B(O)O 08-7798 [0,1,0,0,0,0|1,0,0]=2
12  B10R0.71  CCCCCCCCCCC 05-1100 [0,1,0,0,0,0|1,0,2]=4
13  B10R0.71  CCCCCCCCCCF 26-890 [0,1,0,0,0,0|1,0,2]=4
14  B10R0.71  CCCCCCCCCCO 40-1000 [0,1,0,0,0,0|0,0,2]=3
15  B10R0.74  CCCCCCCC(=O)OC 20-0800 [0,1,0,0,0,0|2,0,1]=4
16  B7R0.1  CCCCCCCC 05-0800 [2,0,0,0,0,0|0,0,1]=3
17  B7R0.1  CCCCCCCF 26-925 [2,0,0,0,0,0|1,0,0]=3
18  B7R0.1  CCCCCCCO 40-0700 [2,0,0,0,0,0|0,0,0]=2
19  B9R0.2  CCCCCCCC(=O)O 10-0800 [1,1,0,0,0,0|0,0,1]=3
20  B9R0.2  CCCCCCCC(=O)O 71-0802 [1,1,0,0,0,0|0,0,1]=3
21  B9R0.2  CCCCCCC[C@H](C)O 023159S [1,1,0,0,0,0|0,0,1]=3
22  B9R0.2  CCCCCCOC(C)=O 023275S [1,1,0,0,0,0|1,0,0]=3
23  B9R0.5  CCCCCC(=O)OCC 023020S [1,1,0,0,0,0|2,0,0]=4
24  B9R0.46  CCCCCCC(=O)OC 20-0700 [1,1,0,0,0,0|1,0,0]=3
25  B9R0.46  COC(=O)CCCCCBr 19-614 [1,1,0,0,0,0|2,0,0]=4
26  B11R0.4  CCCCCCCC(=O)OCC 023218S [0,2,0,0,0,0|1,0,1]=4
27  B11R0.148  CCCCCCCCCC(=O)O 10-1000 [0,2,0,0,0,0|0,0,2]=4
28  B11R0.3  CCCCCCCCCCCO 40-1100 [0,2,0,0,0,0|0,0,2]=4
29  B11R1.27  CCCCC[C@H]1CCC(=O)O1 025189S [0,1,0,1,0,0|2,0,0]=4