0  B11R0.148  CCCCCCCCCC(=O)[O-] 29720 [0,0,0,0,0,0|2,0,0]=2
1  B11R0.148  CCCCCCCCC[C@H](C)O 15557 [0,0,0,0,0,0|1,0,2]=3
2  B10R0.4  C=CCCCCCCC(=O)O 27146 [1,0,0,0,0,0|1,0,2]=4
3  B10R0.4  CCCCCCCCB(O)O 29487 [1,0,0,0,0,0|2,0,1]=4
4  B10R0.4  CCCCCCCCN(C)C 35306 [1,0,0,0,0,0|2,0,0]=3
5  B10R0.4  NCCCCCCCC(=O)O 13165 [1,0,0,0,0,0|2,0,0]=3
6  B10R0.71  CCCCCCCCCCBr 2457 [1,0,0,0,0,0|2,0,1]=4
7  B10R0.71  CCCCCCCCCCI 3942 [1,0,0,0,0,0|2,0,1]=4
8  B12R0.4  CCCCCCCC(O)CC(=O)O 35410 [0,1,0,0,0,0|2,0,0]=3
9  B12R0.234  O=C(O)CCCCCCCCCO 25651 [0,1,0,0,0,0|2,0,0]=3
10  B12R0.248  CCCCCCCCOC(=O)CN 12487 [0,1,0,0,0,0|0,0,0]=1
11  B12R0.248  COC(=O)CCCCCCCCO 18968 [0,1,0,0,0,0|2,0,0]=3
12  B12R1.252  O=C(O)CCCC1CCCCC1 15521 [0,0,0,1,0,0|2,0,0]=3
13  B9R0.2  CC(=O)OCCCCCCl 3676 [2,0,0,0,0,0|1,0,0]=3
14  B9R0.2  CCCCCCCC(=O)[O-] 12870 [2,0,0,0,0,0|1,0,0]=3
15  B9R0.45  CCCCCCCCCBr 3809 [2,0,0,0,0,0|1,0,1]=4
16  B9R0.45  CCCCCCCCCI 3958 [2,0,0,0,0,0|1,0,1]=4
17  B11R0.40  CCCCCCCCC(O)CO 12680 [1,1,0,0,0,0|0,0,2]=4
18  B11R0.46  CCCCOC(=O)CCC(C)=O 11224 [1,1,0,0,0,0|1,0,1]=4
19  B11R0.147  CCCCC(O)CCCC(=O)O 9714 [1,1,0,0,0,0|1,0,0]=3
20  B11R0.159  CCCCCCCCS(=O)(=O)[O-] 25501 [1,1,0,0,0,0|2,0,0]=4
21  B11R0.3  CCCCCCCCCCCBr 3840 [1,1,0,0,0,0|1,0,1]=4
22  B11R0.3  CCCCCCCCCCCO 35937 [1,1,0,0,0,0|1,0,1]=4
23  B13R0.1398  CC(=O)OCCC(C)CCC=C(C)C 35067 [0,2,0,0,0,0|0,0,2]=4
24  B13R0.54  CCCCCCCCC\C=C\C(=O)O 17485 [0,2,0,0,0,0|2,0,0]=4
25  B13R0.54  CCCCCCCCC\C=C\C(=O)O 17492 [0,2,0,0,0,0|2,0,0]=4
26  B11R1.91  CC(=O)CCN1CCOCC1 15916 [1,0,0,1,0,0|2,0,0]=4
27  B11R1.91  O=C(O)CCC1CCCCC1 20248 [1,0,0,1,0,0|1,0,0]=3
28  B11R1.91  O=C(O)CCC1CCNCC1 19136 [1,0,0,1,0,0|2,0,0]=4
29  B11R1.143  N[C@@H]1CCCCC[C@@H]1C(=O)O 23253 [1,0,0,1,0,0|2,0,0]=4
30  B11R1.172  O=C(O)CCCN1CCCC1 23548 [1,0,0,1,0,0|2,0,0]=4
31  B11R1.742  O=C(O)CC1CCCCCC1 16200 [1,0,0,1,0,0|1,0,0]=3
32  B11R1.17  CCCCC1CCCCC1=O 20238 [1,0,0,1,0,0|1,0,0]=3