0  B13R0.54  CCCCCCCCCCCC(=O)O T6873 [0,0,0,0,0,0|2,0,0]=2
1  B13R0.54  CCCCCC\C=C/CCCC(=O)O T8240 [0,0,0,0,0,0|2,0,2]=4
2  B12R0.234  C=CCCCCCCCCC(=O)O T0306 [1,0,0,0,0,0|1,0,2]=4
3  B12R0.234  C=CCCCCCCCCC(=O)[O-] T0744 [1,0,0,0,0,0|1,0,2]=4
4  B12R0.234  CC(=O)NCCCCNCCCN T19466 [1,0,0,0,0,0|3,0,0]=4
5  B12R0.234  CCCCCCCCCCC(=O)O T3948 [1,0,0,0,0,0|1,0,0]=2
6  B12R0.234  CCCCCCCC\C=C\C(=O)O T19589 [1,0,0,0,0,0|1,0,2]=4
7  B12R0.234  O=C(O)CCCCCCCCCO TMO2685 [1,0,0,0,0,0|2,0,0]=3
8  B14R0.391  CCCCCCCCCC(=O)OC(C)C T21196 [0,1,0,0,0,0|1,0,2]=4
9  B14R0.394  CCCCCCCCCCCCC(=O)O T3950 [0,1,0,0,0,0|2,0,0]=3
10  B14R0.394  O=C(O)CCCCCCCCCCCO T4879 [0,1,0,0,0,0|2,0,0]=3
11  B11R0.3  CCCCCCCCCCCO T7480 [2,0,0,0,0,0|0,0,2]=4
12  B11R0.148  CCCCCCCCCC(=O)O T3379 [2,0,0,0,0,0|1,0,0]=3
13  B11R0.148  CCCCCCCCCC(=O)[O-] T21240 [2,0,0,0,0,0|1,0,0]=3
14  B11R0.148  CCCCCCCCCC(C)=O T8017 [2,0,0,0,0,0|0,0,0]=2
15  B11R0.148  CCCCCCCCOC(C)=O T5667 [2,0,0,0,0,0|0,0,0]=2
16  B13R0.280  CCCCCCCCCCP(=O)(O)O T21191 [1,1,0,0,0,0|2,0,0]=4
17  B15R0.164  CCCCCCCCCCCCCC(=O)O T3949 [0,2,0,0,0,0|2,0,0]=4