0  B13R1.3090  COC1=C(C(F)(F)F)C=C(Br)C=C1 005833 [0,0,0,0,0,0|4,0,0]=4
1  B13R1.3090  COC1=C(C(F)(F)F)C=C(N)C=C1 005826 [0,0,0,0,0,0|4,0,0]=4
2  B12R1.46  COC1=C(C(C)=O)C=C(Br)C=C1 019294 [1,0,0,0,0,0|2,0,1]=4
3  B12R1.46  COC1=C(C(C)=O)C=C(Cl)C=C1 019292 [1,0,0,0,0,0|2,0,1]=4
4  B12R1.46  COC1=C(C(C)=O)C=C(F)C=C1 019293 [1,0,0,0,0,0|2,0,1]=4
5  B12R1.76  COC1=C(C(C)(C)C)C=CC=C1 104269 [1,0,0,0,0,0|0,0,0]=1
6  B12R1.76  COC1=C(C(F)(F)F)C=CC=C1 013872 [1,0,0,0,0,0|3,0,0]=4
7  B12R1.76  COC1=C(S(C)(=O)=O)C=CC=C1 019372 [1,0,0,0,0,0|3,0,0]=4
8  B12R1.128  CC(C)(C)C1=CC(O)=CC=C1O 209429 [1,0,0,0,0,0|0,0,0]=1
9  B12R1.128  CC1=CC=C(O)C(C(C)(C)C)=C1 224473 [1,0,0,0,0,0|1,0,0]=2
10  B11R1.37  CCC1=C(OC)C=CC(F)=C1 098652 [2,0,0,0,0,0|1,0,0]=3
11  B11R1.37  COC1=C(CO)C=C(F)C=C1 013338 [2,0,0,0,0,0|2,0,0]=4
12  B11R1.37  COC1=C(OC)C=C(Br)C=C1 001141 [2,0,0,0,0,0|2,0,0]=4
13  B11R1.37  COC1=C(OC)C=C(F)C=C1 004913 [2,0,0,0,0,0|2,0,0]=4
14  B11R1.37  COC1=C(OC)C=C(N)C=C1 024561 [2,0,0,0,0,0|2,0,0]=4
15  B11R1.37  COC1=C(OC)C=C(O)C=C1 068071 [2,0,0,0,0,0|1,0,0]=3
16  B11R1.37  COC1=C(OC)C=C(S)C=C1 003876 [2,0,0,0,0,0|1,1,0]=4
17  B11R1.37  COC1=CC=C(Br)C=C1CO 216898 [2,0,0,0,0,0|2,0,0]=4
18  B11R1.37  COC1=CC=C(I)C=C1OC 024675 [2,0,0,0,0,0|2,0,0]=4
19  B11R1.53  C(=O)C1=CC=CC=C1C(C)C 022363 [2,0,0,0,0,0|2,0,0]=4
20  B11R1.53  COC1=C(C(C)=O)C=CC=C1 046207 [2,0,0,0,0,0|1,0,1]=4
21  B11R1.53  COC1=C(C(C)O)C=CC=C1 018798 [2,0,0,0,0,0|1,0,0]=3
22  B11R1.167  CC(=O)C1=CC(O)=CC=C1O 079189 [2,0,0,0,0,0|1,0,1]=4
23  B11R1.167  CC(C)C1=C(I)C=CC(Br)=C1 037577 [2,0,0,0,0,0|2,0,0]=4
24  B11R1.167  CC(C)C1=C(N)C=CC(Br)=C1 037573 [2,0,0,0,0,0|2,0,0]=4
25  B11R1.87  CC(C)(C)C1=CC=CC=C1N 036383 [2,0,0,0,0,0|1,0,0]=3
26  B11R1.87  CC(C)(C)C1=CC=CC=C1O 234992 [2,0,0,0,0,0|0,0,0]=2
27  B11R1.87  CC(C)(O)C1=C(Br)C=CC=C1 036136 [2,0,0,0,0,0|2,0,0]=4
28  B11R1.155  CC(C)(C)C1=CC(Br)=CC=C1 023850 [2,0,0,0,0,0|1,0,0]=3
29  B11R1.155  CC(C)(C)C1=CC(N)=CC=C1 017189 [2,0,0,0,0,0|1,0,0]=3
30  B11R1.155  CC(C)(C)C1=CC(O)=CC=C1 092651 [2,0,0,0,0,0|0,0,0]=2
31  B11R1.155  CC(C)(C)C1=CC=CC(I)=C1 023858 [2,0,0,0,0,0|1,0,0]=3
32  B13R1.2430  COC1=CC(C(C)=O)=C(OC)C=C1 132200 [1,1,0,0,0,0|1,0,1]=4
33  B13R1.2430  COC1=CC=C(OC)C(C(C)N)=C1 030447 [1,1,0,0,0,0|1,0,0]=3
34  B13R1.381  CC(C)(C)C1=CC=CC=C1N=C=O 467191 [1,1,0,0,0,0|1,0,1]=4
35  B13R1.381  CCOC1=C(C(C)(C)C)C=CC=C1 104287 [1,1,0,0,0,0|0,0,0]=2
36  B15R1.5651  CCOC1=C(C(C)(C)C)C=C(C=O)C=C1 180806 [0,2,0,0,0,0|0,0,1]=3
37  B13R2.3122  CC1(O)CCCC2=CC=CC=C21 373877 [1,0,0,1,0,0|2,0,0]=4
38  B13R1.622  CC(C)(C)SC1=C(C=O)C=CC=C1 103215 [1,0,0,0,0,1|2,0,0]=4