0  B15R1.5924  O=C(OCCC)C1=CC(O)=C(O)C(O)=C1      AK-94176 [0,0,0,0,0,0|0,0,0]=0
1  B14R1.6821  CCOC(=O)C1=CC(Br)=C(Cl)C(F)=C1      AK110155 [1,0,0,0,0,0|3,0,0]=4
2  B14R1.6821  O=C(OCC)C1=CC(Cl)=C(N)C(Br)=C1      AK190018 [1,0,0,0,0,0|3,0,0]=4
3  B14R1.6821  O=C(OCC)C1=CC(F)=C(N)C(F)=C1      AK173758 [1,0,0,0,0,0|3,0,0]=4
4  B14R1.6821  O=C(OCC)C1=CC(I)=C(N)C(Br)=C1      AK153779 [1,0,0,0,0,0|3,0,0]=4
5  B16R1.52957  CC(C)COC(=O)C1=CC(N)=C(Cl)C(N)=C1      AK-84435 [0,1,0,0,0,0|3,0,0]=4
6  B13R1.55  OC1=CC(CCCCC)=CC(O)=C1      AK-81914 [2,0,0,0,0,0|1,0,1]=4
7  B13R1.17  C1=C(C=CC(=C1)O)C(CCCC)=O      AK-47484 [2,0,0,0,0,0|1,0,0]=3
8  B13R1.17  CCCCC(C1=CC=C(C)C=C1)=O      AK-60992 [2,0,0,0,0,0|2,0,0]=4
9  B13R1.17  O=C(C1=CC=C(O)C=C1)CCCCl      AK114574 [2,0,0,0,0,0|2,0,0]=4
10  B13R1.17  O=C(OCCC)C1=CC=C(O)C=C1      AK106260 [2,0,0,0,0,0|0,0,0]=2
11  B13R1.17  O=C(OCCO)C1=CC=C(O)C=C1      AK135792 [2,0,0,0,0,0|1,0,0]=3
12  B13R1.17  [O-]C1=CC=C(C(OCCC)=O)C=C1      AK121813 [2,0,0,0,0,0|0,0,1]=3
13  B13R1.466  CCOC(=O)C1=CC(Br)=C(N)C=C1      AK110900 [2,0,0,0,0,0|2,0,0]=4
14  B13R1.466  CCOC(=O)C1=CC(F)=C(Cl)C=C1      AK104624 [2,0,0,0,0,0|2,0,0]=4
15  B13R1.466  CCOC(=O)C1=CC(O)=C(I)N=C1      AK-37988 [2,0,0,0,0,0|2,0,0]=4
16  B13R1.466  NC1=C(C=C(C(=O)OCC)C=C1)F      AK-10093 [2,0,0,0,0,0|2,0,0]=4
17  B13R1.466  NC1=C(C=CC(=C1)C(=O)OCC)F      AK-35238 [2,0,0,0,0,0|2,0,0]=4
18  B13R1.466  O=C(OCC)C1=CC=C(Br)C(F)=C1      AK137434 [2,0,0,0,0,0|2,0,0]=4
19  B13R1.466  O=C(OCC)C1=CC=C(Br)C(O)=C1      AK142787 [2,0,0,0,0,0|1,0,0]=3
20  B13R1.466  O=C(OCC)C1=CC=C(C)C(F)=C1      AK145970 [2,0,0,0,0,0|2,0,0]=4
21  B13R1.466  O=C(OCC)C1=CC=C(C)C(N)=C1      AK-38562 [2,0,0,0,0,0|2,0,0]=4
22  B13R1.466  O=C(OCC)C1=CC=C(Cl)C(Cl)=C1      AK177807 [2,0,0,0,0,0|2,0,0]=4
23  B13R1.466  O=C(OCC)C1=CC=C(F)C(F)=C1      AK-51251 [2,0,0,0,0,0|2,0,0]=4
24  B13R1.466  O=C(OCC)C1=CC=C(I)C(Br)=C1      AK146307 [2,0,0,0,0,0|2,0,0]=4
25  B13R1.466  O=C(OCC)C1=CC=C(N)C(Cl)=C1      AK-44773 [2,0,0,0,0,0|2,0,0]=4
26  B13R1.466  O=C(OCC)C1=CC=C(O)C(O)=C1      AK-48218 [2,0,0,0,0,0|0,0,0]=2
27  B13R1.466  O=C(OCC)C1=NC(O)=C(Br)C=C1      AK100463 [2,0,0,0,0,0|2,0,0]=4
28  B13R1.2678  COC(=O)C1=CC(I)=C(O)C(I)=C1      AK-89497 [2,0,0,0,0,0|2,0,0]=4
29  B13R1.2678  O=C(OC)C1=CC(Cl)=C(O)C(Cl)=C1      AK-89774 [2,0,0,0,0,0|2,0,0]=4
30  B13R1.2678  O=C(OC)C1=CC(F)=C(O)C(F)=C1      AK126686 [2,0,0,0,0,0|2,0,0]=4
31  B13R1.2678  O=C(OC)C1=CC(O)=C(I)C(O)=C1      AK141789 [2,0,0,0,0,0|1,0,0]=3
32  B13R1.2678  O=C(OC)C1=CC(O)=C(O)C(O)=C1      AK-94175 [2,0,0,0,0,0|0,0,0]=2