0  B11R0.3  CCCCCCCCCCCO T7480 [0,0,0,0,0,0|0,0,2]=2
1  B10R0.71  CCCCCCCCCC=O T8086 [1,0,0,0,0,0|1,0,0]=2
2  B10R0.71  CCCCCCCCCCF T21116 [1,0,0,0,0,0|1,0,1]=3
3  B12R0.234  C=CCCCCCCCCC(=O)O T0306 [0,1,0,0,0,0|0,0,1]=2
4  B12R0.234  C=CCCCCCCCCC(=O)[O-] T0744 [0,1,0,0,0,0|0,0,2]=3
5  B12R0.234  CCCCCCCCCCC(=O)O T3948 [0,1,0,0,0,0|2,0,0]=3
6  B12R0.234  O=C(O)CCCCCCCCCO TMO2685 [0,1,0,0,0,0|1,0,0]=2
7  B12R0.234  O=C(O)\C=C\CCCCCCCO T3250 [0,1,0,0,0,0|1,0,2]=4
8  B11R0.40  CCCCCCCCC(C)C#N T21189 [1,1,0,0,0,0|1,0,1]=4
9  B11R0.148  CCCCCCCCCC(=O)O T3379 [1,1,0,0,0,0|1,0,0]=3
10  B11R0.148  CCCCCCCCCC(=O)[O-] T21240 [1,1,0,0,0,0|1,0,0]=3
11  B11R0.148  CCCCCCCCCC(C)=O T8017 [1,1,0,0,0,0|0,0,1]=3
12  B11R0.148  CCCCCCCCOC(C)=O T5667 [1,1,0,0,0,0|1,0,1]=4
13  B13R0.54  CCCCCCCCCCCC(=O)O T6873 [0,2,0,0,0,0|0,0,2]=4
14  B13R0.179  O=C(O)CCCCCCCCC(=O)O T3732 [0,2,0,0,0,0|1,0,1]=4