0  B18R3.52086  ClC1=CC=C2SC3=C(C=CC=C3)C(=O)C2=C1      AK-96002 [1,0,0,0,0,0|2,0,0]=3
1  B18R3.52086  O=C1C2=C(C=CC=C2)NC3=CC=C(Cl)C=C13      AK124384 [1,0,0,0,0,0|1,0,0]=2
2  B17R2.42570  CC1=CC=C(SC2=CC=CC=C2Br)C(C)=C1      AK549981 [1,0,1,0,0,0|2,0,0]=4
3  B17R2.42570  NC1=CC=CC=C1SC2=CC=C(C)C=C2C      AK341188 [1,0,1,0,0,0|2,0,0]=4
4  B17R2.5356  ClC1=CC(C(=O)C2=CC=CC=C2)=C(Cl)C=C1      AK-59936 [1,0,1,0,0,0|2,0,0]=4
5  B17R2.5356  NC1=C(C=C(Cl)C=C1)C(=O)C2=CC=CC=C2      AK-77248 [1,0,1,0,0,0|1,0,0]=3
6  B17R2.5356  NC1=CC=C(Br)C=C1C(C2=CC=CC=C2)=O      AK-35022 [1,0,1,0,0,0|1,0,0]=3
7  B17R2.5356  O=C(C1=CC=CC=C1)C2=CC(Cl)=CC=C2O      AK326748 [1,0,1,0,0,0|2,0,0]=4
8  B17R2.5356  O=C(C1=NC=CC=C1)C2=CC(Br)=CC=C2N      AK-33467 [1,0,1,0,0,0|2,0,0]=4
9  B17R3.35227  BrC1=C2C=CC=CC2=CC3=CC=CC=C13      AK-40176 [2,0,0,0,0,0|2,0,0]=4
10  B17R3.35227  C1=C2C(=CC=C1)C(C3=C(N2)C=CC=C3)=O      AK-47308 [2,0,0,0,0,0|0,0,0]=2
11  B17R3.35227  CC1=C2C=CC=CC2=NC3=CC=CC=C31      AK142042 [2,0,0,0,0,0|1,0,1]=4
12  B17R3.35227  ClC1=C2C=CC=CC2=NC3=CC=CC=C13      AK-47772 [2,0,0,0,0,0|1,0,1]=4
13  B17R3.35227  NC1=C2C=CC=CC2=NC3=CC=CC=C31      AK109135 [2,0,0,0,0,0|1,0,1]=4
14  B17R3.35227  OC1=C2C=CC=CC2=CC3=CC=CC=C13      AK151481 [2,0,0,0,0,0|1,0,1]=4
15  B17R3.50126  ClC1=C2NC3=C(C=CC=C3)SC2=CC=C1      AK386984 [2,0,0,0,0,0|2,0,0]=4
16  B17R3.50126  OC1=CC=CC2=CC3=CC=CC=C3N=C12      AK-93750 [2,0,0,0,0,0|1,0,1]=4
17  B17R3.3205  BrC1=CC=C2C=C3C=CC=CC3=CC2=C1      AK-76700 [2,0,0,0,0,0|2,0,0]=4
18  B17R3.3205  BrC1=CC=C2NC3=C(C=CC=C3)SC2=C1      AK549026 [2,0,0,0,0,0|2,0,0]=4
19  B17R3.3205  NC1=CC2=CC3=CC=CC=C3N=C2C=C1      AK115515 [2,0,0,0,0,0|1,0,1]=4
20  B19R2.103168  O=[N+](C1=CC=CC=C1SC2=CC=C(C)C=C2C)[O-]      AK549982 [0,1,1,0,0,0|2,0,0]=4
21  B19R3.152782  O=C1C2=C(C=CC=C2)C(C3=CC=CC(N)=C13)=O      AK116979 [1,1,0,0,0,0|2,0,0]=4
22  B19R3.152782  OC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O      AK-57203 [1,1,0,0,0,0|2,0,0]=4
23  B19R3.169429  O=C1C2=C(C=CC=C2)C(C3=CC=C(Br)C=C13)=O      AK-29416 [1,1,0,0,0,0|2,0,0]=4
24  B19R3.169429  O=C1C2=C(C=CC=C2)C(C3=CC=C(C)C=C13)=O      AK114056 [1,1,0,0,0,0|1,0,0]=3
25  B21R3.3618044  CCC1=CC(CC)=C2SC3=C(C=CC=C3)C(=O)C2=C1      AK-98816 [0,2,0,0,0,0|1,0,0]=3
26  B21R3.38118847  O=C1C2=C(C=CC=C2O)C(C3=CC(C)=CC(O)=C13)=O      AK160262 [0,2,0,0,0,0|2,0,0]=4
27  B17R3.31819  O=C1C2=C(C3=C1C=CC=C3)C=CC(Br)=C2      AK-84394 [1,0,0,0,1,0|1,0,0]=3
28  B19R3.5744  O=C1NC2=CC=CC=C2SC3=CC=C(Cl)C=C13      AK163646 [1,0,0,0,0,1|2,0,0]=4