0  B11R0.164  CCCCC(CC)CCC(O)=O      AK-60980 [0,0,0,0,0,0|0,0,0]=0
1  B10R0.78  CCCCC(C)CCC(O)=O      AK164469 [1,0,0,0,0,0|0,0,0]=1
2  B12R0.608  O=S(OCC(CC)CCCC)([O-])=O      AK128326 [0,1,0,0,0,0|2,0,1]=4
3  B9R0.2  C=CCCCCCC(O)=O      AK164507 [2,0,0,0,0,0|0,0,2]=4
4  B9R0.2  CCCCCCCB(O)O      AK145619 [2,0,0,0,0,0|1,0,1]=4
5  B9R0.2  O=C(O)CCCCCCN      AK-47536 [2,0,0,0,0,0|1,0,0]=3
6  B9R0.2  OC(=O)CCCCCCBr      AK-28585 [2,0,0,0,0,0|1,0,0]=3
7  B9R0.2  OCCCCCCC(O)=O      AK-29232 [2,0,0,0,0,0|1,0,0]=3
8  B11R0.46  CCCCCC(C)CCC(O)=O      AK112837 [1,1,0,0,0,0|0,0,0]=2
9  B11R0.46  O=C(O)CCN(C)CCCCC      AK-35893 [1,1,0,0,0,0|1,0,0]=3
10  B11R1.1  OCCCC1CCN(C)CC1      AK135455 [1,0,0,1,0,0|1,0,1]=4
11  B11R1.91  O=C(O)CCC1CCCCC1      AK116675 [1,0,0,1,0,0|0,0,0]=2
12  B11R1.91  O=C(O)CCN1CCCCC1      AK-34442 [1,0,0,1,0,0|1,0,0]=3
13  B11R1.91  O=C(O)CCN1CCOCC1      AK-32581 [1,0,0,1,0,0|2,0,0]=4
14  B11R1.91  O=C(O)\C=C\C1CCCCC1      AK-79295 [1,0,0,1,0,0|0,0,2]=4
15  B11R1.266  O=C(C1CC(OC)CCC1)O      AK135091 [1,0,0,1,0,0|1,0,0]=3
16  B11R1.20  C(N1CCN(C)CC1)C(=O)O      AK-29379 [0,0,0,1,1,0|2,0,0]=4
17  B11R1.20  N[C@H]1CC[C@H](CC(O)=O)CC1      AK110004 [0,0,0,1,1,0|1,0,0]=3
18  B11R1.20  O=C(O)CC1CCC(O)CC1      AK141945 [0,0,0,1,1,0|1,0,0]=3
19  B13R2.435  N1C2CCCCC2CC1C(=O)O      AK-36434 [0,0,0,2,0,0|1,0,0]=3
20  B13R2.435  O=C(C1N[C@H]2CCCC[C@H]2C1)O      AK188019 [0,0,0,2,0,0|1,0,0]=3
21  B13R2.435  O=C([C@@H]1N[C@H]2CCCC[C@H]2C1)O      AK120137 [0,0,0,2,0,0|1,0,0]=3
22  B13R2.435  O=[C@@]([C@H]1N[C@H]2CCCC[C@H]2C1)O      AK-36437 [0,0,0,2,0,0|1,0,0]=3
23  B9R0.4  O=C(O)C[C@@H](N)CCSC      AK486956 [1,0,0,0,1,0|2,0,0]=4
24  B9R0.13  CCCCC(CC)C([O-])=O      AK159156 [0,0,0,0,2,0|0,0,1]=3