0  B9R0.5  C(C(OCC)=O)CCCBr      AK-46515 [1,0,0,0,0,0|1,0,1]=3
1  B9R0.5  NCCCCC(=O)OCC      AK-41723 [1,0,0,0,0,0|1,0,1]=3
2  B9R0.5  O=C(OCC)COCCCl      AK-86508 [1,0,0,0,0,0|2,0,1]=4
3  B9R0.5  O=C(OCCCC)CC#N      AK109261 [1,0,0,0,0,0|2,0,1]=4
4  B9R0.45  C=CCCCCCCCBr      AK161876 [1,0,0,0,0,0|2,0,1]=4
5  B9R0.45  C=CCCCCCCCCl      AK164575 [1,0,0,0,0,0|2,0,1]=4
6  B11R0.140  O=C(OCC#CI)NCCCC      AK-49902 [0,1,0,0,0,0|1,0,2]=4
7  B11R1.28  CCCCCC1=NC=CC=C1      AK116759 [0,0,0,1,0,0|2,0,1]=4
8  B8R0.1  CCOC(=O)CCCI      AK102411 [2,0,0,0,0,0|1,0,1]=4
9  B8R0.1  CCOC(=O)CCCN      AK-47111 [2,0,0,0,0,0|1,0,1]=4
10  B8R0.1  O=C(OCC)CCCBr      AK-41609 [2,0,0,0,0,0|1,0,1]=4
11  B8R0.4  C=CCCCCCCCl      AK164503 [2,0,0,0,0,0|1,0,1]=4
12  B8R0.6  C(Cl)C(=O)NCCCC      AK-59895 [2,0,0,0,0,0|2,0,0]=4
13  B8R0.6  C=CC(CCCCC)=O      AK164478 [2,0,0,0,0,0|0,0,0]=2
14  B8R0.6  C=CC(O)CCCCC      AK164470 [2,0,0,0,0,0|0,0,2]=4
15  B8R0.6  O=C(OC)CCCCBr      AK-88540 [2,0,0,0,0,0|1,0,0]=3
16  B8R0.6  O=C(OC)CCCCN      AK112995 [2,0,0,0,0,0|1,0,0]=3
17  B8R0.6  O=C(OC)CCCOC      AK151485 [2,0,0,0,0,0|1,0,0]=3
18  B8R0.6  O=C(OC)COCCCl      AK-44958 [2,0,0,0,0,0|2,0,0]=4
19  B10R0.1  CCOC(=O)CCCCCBr      AK111109 [1,1,0,0,0,0|0,0,1]=3
20  B10R0.1  O=C(OCC)CCCCCN      AK145590 [1,1,0,0,0,0|0,0,1]=3
21  B10R0.3  CCOC(=O)CCCC(C)=C      AK103346 [1,1,0,0,0,0|0,0,2]=4
22  B10R0.19  O=C(C(=O)OCC)CCCC      AK-46512 [1,1,0,0,0,0|0,0,2]=4
23  B10R0.71  C=CCCCCCCCCBr      AK-48406 [1,1,0,0,0,0|1,0,1]=4
24  B10R1.10  O=C1CC(CCC)NCC1      AK129486 [1,0,0,1,0,0|1,0,1]=4
25  B10R1.11  CCOC(=O)C1CCNC1      AK-89599 [1,0,0,1,0,0|1,0,1]=4
26  B10R1.11  N1CCC(C1)C(=O)OCC      AK-65324 [1,0,0,1,0,0|1,0,1]=4
27  B10R1.11  O=C(C1OCCC1)OCC      AK-62782 [1,0,0,1,0,0|1,0,1]=4
28  B10R1.11  O=C([C@H]1NCCC1)OCC      AK133273 [1,0,0,1,0,0|1,0,1]=4
29  B10R1.21  CCCCCC1=CC=CS1      AK117060 [1,0,0,1,0,0|0,1,1]=4
30  B10R1.25  C(C)C1CNC(CC1=O)=O      AK-24496 [1,0,0,1,0,0|2,0,0]=4
31  B10R1.130  CCCC1=C(O)OC(=O)C1      AK103363 [1,0,0,1,0,0|1,0,1]=4
32  B12R2.24  O=C1CCC2CCCCC2O1      AK554624 [0,0,0,2,0,0|0,0,2]=4