0  B12R1.1618  O=C(OCC)CC1(C)OCCO1      AK-81951 [0,0,0,0,0,0|0,0,0]=0
1  B11R1.30  CCOC(=O)CC1CCNC1      AK-64695 [1,0,0,0,0,0|3,0,0]=4
2  B11R1.30  O=C(OCC)CC1OCCC1      AK154820 [1,0,0,0,0,0|1,0,0]=2
3  B11R0.354  O=C(OCC)CP(OC)(OC)=O      AK113540 [0,0,1,0,0,0|2,0,0]=3
4  B11R1.819  O=C(C1(O)CCCC1)OCC      AK122366 [0,0,0,0,1,0|3,0,0]=4
5  B13R1.2570  C(C1(CCCCC1)O)C(OCC)=O      AK-32317 [0,0,0,0,0,1|3,0,0]=4
6  B10R0.1  CCOC(=O)CCCCCBr      AK111109 [1,0,1,0,0,0|2,0,0]=4
7  B10R0.1  O=C(OCC)CCCCCN      AK145590 [1,0,1,0,0,0|2,0,0]=4
8  B10R0.2  O=C(OCC)CC(OCC)=O      AK120896 [1,0,1,0,0,0|0,0,2]=4
9  B10R0.134  O=C(OC)CP(OC)(OC)=O      AK-91621 [1,0,1,0,0,0|2,0,0]=4
10  B10R1.27  O=C(OC)C[C@@H]1NCCC1      AK144146 [2,0,0,0,0,0|2,0,0]=4
11  B10R1.27  O=C(OC)C[C@H]1NCCC1      AK-86767 [2,0,0,0,0,0|2,0,0]=4
12  B12R1.318  O=C(OCC)CC1C(CCC1)=O      AK-48019 [1,1,0,0,0,0|2,0,0]=4
13  B12R1.32  O=C(OCC)CC1CNCCC1      AK-62785 [0,0,1,1,0,0|2,0,0]=4
14  B10R1.11  O=C(C1OCCC1)OCC      AK-62782 [1,0,0,0,1,0|1,0,0]=3
15  B10R1.11  O=C([C@H]1NCCC1)OCC      AK133273 [1,0,0,0,1,0|2,0,0]=4
16  B10R1.411  O=C([C@@]1(C)NCCC1)OC      AK164295 [1,0,0,0,1,0|2,0,0]=4
17  B10R1.401  O=C(C1(C)CCC1)OCC      AK554630 [0,0,0,0,2,0|1,0,0]=3
18  B10R1.401  O=C(C1(N)CCC1)OCC      AK144798 [0,0,0,0,2,0|2,0,0]=4
19  B12R1.1595  CC1(CCNCC1)C(=O)OCC      AK-31141 [0,0,0,0,1,1|2,0,0]=4
20  B12R1.1595  CC1(CCNCC1)C(=O)OCC      AK-44890 [0,0,0,0,1,1|2,0,0]=4
21  B12R1.1595  O=C(C1(C)CNCCC1)OCC      AK109320 [0,0,0,0,1,1|2,0,0]=4
22  B12R1.1595  O=C([C@@]1(C)CNCCC1)OCC      AK150833 [0,0,0,0,1,1|2,0,0]=4