0  B13R0.54  C=CCCCCCCCCCC(=O)O I12075 [0,0,0,0,0,0|2,0,2]=4
1  B13R0.54  O=C(O)CCCCCCCCCCCl D86287 [0,0,0,0,0,0|3,0,0]=3
2  B12R0.5  CCOCCCCCCCCCO C12008 [1,0,0,0,0,0|1,0,1]=3
3  B12R0.234  C=CCCCCCCCCC(=O)[O-] C75615 [1,0,0,0,0,0|1,0,2]=4
4  B12R0.234  CC(=O)NCCCNCCCCN 28022 [1,0,0,0,0,0|3,0,0]=4
5  B12R0.234  CCCCCCCCCCC(N)=O Y14687 [1,0,0,0,0,0|1,0,0]=2
6  B14R0.68  CC(C)CCCCCCC\C=C/C(=O)O D86952 [0,1,0,0,0,0|2,0,1]=4
7  B14R0.305  CCC(=O)CCCCCCCCC(=O)O D94101 [0,1,0,0,0,0|2,0,1]=4
8  B14R0.337  C=CC(=O)OCCCCCCCCCC D81854 [0,1,0,0,0,0|0,0,1]=2
9  B14R0.394  CCCCCCCCCCCCC(C)=O T72124 [0,1,0,0,0,0|1,0,0]=2
10  B11R0.3  CCCCCCCCCCNC A11532 [2,0,0,0,0,0|1,0,0]=3
11  B11R0.3  CNCCCCCCCCNC D93197 [2,0,0,0,0,0|2,0,0]=4
12  B11R0.148  CCCC\C=C/CCOC(C)=O D93562 [2,0,0,0,0,0|0,0,2]=4
13  B11R0.148  NCCCCCCCCC(=O)O D94864 [2,0,0,0,0,0|2,0,0]=4
14  B13R0.165  CCCCCCC(C)CCCCCC D93446 [1,1,0,0,0,0|1,0,1]=4
15  B13R0.179  CC(=O)CCCCCCCCC(C)=O D93558 [1,1,0,0,0,0|0,0,1]=3
16  B15R0.111  CCOC(=O)CCCCCCCCC(C)=O D93034 [0,2,0,0,0,0|1,0,1]=4
17  B15R0.81  COC(=O)CCCCCCCCCCCBr AC2363 [0,2,0,0,0,0|1,0,0]=3
18  B15R0.81  COC(=O)CCCCCCCCCCCN W18554 [0,2,0,0,0,0|1,0,0]=3
19  B15R0.366  CCCCCCCCCCCC(=O)OCCl A11157 [0,2,0,0,0,0|1,0,0]=3
20  B15R0.164  C#CCCCCCCCCCCCC(=O)O W15678 [0,2,0,0,0,0|2,0,0]=4
21  B15R0.164  CCCCCCCCCCCCCC(=O)[O-] 42117 [0,2,0,0,0,0|2,0,0]=4
22  B15R0.164  CCC\C=C/CCCCCCCOC(C)=O D87855 [0,2,0,0,0,0|0,0,0]=2
23  B13R1.337  O=C(O)CCCCN1CCCCC1 D80932 [1,0,0,1,0,0|2,0,0]=4