0  B11R0.148  CCCCCCCCCC(=O)[O-] 29720 [0,0,0,0,0,0|0,0,3]=3
1  B11R0.148  CCCCCCCCC[C@H](C)O 15557 [0,0,0,0,0,0|1,0,3]=4
2  B11R0.148  COCCOCCOCC(=O)O 31987 [0,0,0,0,0,0|3,0,1]=4
3  B10R0.4  C=CCCCCCCC(=O)O 27146 [1,0,0,0,0,0|0,0,3]=4
4  B10R0.4  CCCCCCCCB(O)O 29487 [1,0,0,0,0,0|1,0,2]=4
5  B10R0.4  NCCCCCCCC(=O)O 13165 [1,0,0,0,0,0|1,0,1]=3
6  B10R0.71  CCCCCCCC#CCO 11035 [1,0,0,0,0,0|0,0,3]=4
7  B12R0.4  CCCCCCCC(O)CC(=O)O 35410 [0,1,0,0,0,0|0,0,2]=3
8  B12R0.234  O=C(O)CCCCCCCCCO 25651 [0,1,0,0,0,0|0,0,2]=3
9  B12R0.248  CCCCCCCCOC(=O)CN 12487 [0,1,0,0,0,0|2,0,1]=4
10  B12R0.248  COC(=O)CCCCCCCCO 18968 [0,1,0,0,0,0|1,0,2]=4
11  B12R1.252  O=C(O)CCCC1CCCCC1 15521 [0,0,0,1,0,0|0,0,2]=3
12  B9R0.2  CCCCCCCC(=O)[O-] 12870 [2,0,0,0,0,0|0,0,1]=3
13  B11R0.147  CCCCC(O)CCCC(=O)O 9714 [1,1,0,0,0,0|0,0,1]=3
14  B13R0.54  CCCCCCCCC\C=C\C(=O)O 17485 [0,2,0,0,0,0|0,0,0]=2
15  B13R0.54  CCCCCCCCC\C=C\C(=O)O 17492 [0,2,0,0,0,0|0,0,0]=2
16  B11R1.91  CC(=O)\C=C\N1CCCCC1 13810 [1,0,0,1,0,0|2,0,0]=4
17  B11R1.91  O=C(O)CCC1CCCCC1 20248 [1,0,0,1,0,0|0,0,1]=3
18  B11R1.91  O=C(O)CCC1CCNCC1 19136 [1,0,0,1,0,0|1,0,1]=4
19  B11R1.91  OB(O)\C=C\C1CCCCC1 6030 [1,0,0,1,0,0|1,0,1]=4
20  B11R1.143  N[C@@H]1CCCCC[C@@H]1C(=O)O 23253 [1,0,0,1,0,0|1,0,1]=4
21  B11R1.172  O=C(O)CCCN1CCCC1 23548 [1,0,0,1,0,0|1,0,1]=4
22  B11R1.742  O=C(O)CC1CCCCCC1 16200 [1,0,0,1,0,0|0,0,1]=3
23  B11R1.17  CCCCC1CCCCC1=O 20238 [1,0,0,1,0,0|0,0,2]=4
24  B13R1.27  CCCCCCCC1=NNC(=S)O1 23666 [0,1,0,1,0,0|1,1,0]=4
25  B13R2.435  O=C(O)C1CC2CCCCC2N1 7288 [0,0,0,2,0,0|1,0,1]=4
26  B13R2.435  O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1 15646 [0,0,0,2,0,0|1,0,1]=4
27  B13R2.435  O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1 15854 [0,0,0,2,0,0|1,0,1]=4