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|0,0,0]=1
2  B10R0.71  CCCCCCCCCCF T21116 [1,0,0,0,0,0|1,0,0]=2
3  B12R0.234  C=CCCCCCCCCC(=O)O T0306 [0,1,0,0,0,0|0,0,2]=3
4  B12R0.234  C=CCCCCCCCCC(=O)[O-] T0744 [0,1,0,0,0,0|0,0,2]=3
5  B12R0.234  CC(=O)NCCCCNCCCN T19466 [0,1,0,0,0,0|3,0,0]=4
6  B12R0.234  CCCCCCCCCCC(=O)O T3948 [0,1,0,0,0,0|0,0,0]=1
7  B12R0.234  CCCCCCCC\C=C\C(=O)O T19589 [0,1,0,0,0,0|0,0,2]=3
8  B12R0.234  O=C(O)CCCCCCCCCO TMO2685 [0,1,0,0,0,0|1,0,0]=2
9  B12R0.234  O=C(O)\C=C\CCCCCCCO T3250 [0,1,0,0,0,0|1,0,2]=4
10  B11R0.40  CCCCCCCCC(C)C#N T21189 [1,1,0,0,0,0|1,0,1]=4
11  B11R0.148  CCCCCCCCCC(=O)O T3379 [1,1,0,0,0,0|0,0,0]=2
12  B11R0.148  CCCCCCCCCC(=O)[O-] T21240 [1,1,0,0,0,0|0,0,0]=2
13  B11R0.148  CCCCCCCCCC(C)=O T8017 [1,1,0,0,0,0|0,0,0]=2
14  B11R0.148  CCCCCCCCOC(C)=O T5667 [1,1,0,0,0,0|1,0,0]=3
15  B11R0.148  CCCCCCC\C=C/C(=O)O TQ0251 [1,1,0,0,0,0|0,0,2]=4
16  B11R0.148  CCCCCCC\C=C\C(=O)O T7332 [1,1,0,0,0,0|0,0,2]=4
17  B13R0.54  CCCCCCCCCCCC(=O)O T6873 [0,2,0,0,0,0|0,0,0]=2
18  B13R0.54  CCCCCC\C=C/CCCC(=O)O T8240 [0,2,0,0,0,0|0,0,1]=3
19  B13R0.179  O=C(O)CCCCCCCCC(=O)O T3732 [0,2,0,0,0,0|1,0,1]=4
20  B13R0.280  CCCCCCCCCCP(=O)(O)O T21191 [0,2,0,0,0,0|1,0,0]=3