0 B11R1.166 CC1=C(C(N)=O)C=CC(Br)=C1 062790 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.166 CC1=CC(Br)=C(C(=O)Cl)C=C1 062786 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.166 CS(=O)C1=C(F)C=C(F)C=C1 064546 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.166 C[S+](C)C1=C(O)C=C(O)C=C1 021801 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.166 C[S+](C)C1=C(O)C=C(O)C=C1 021821 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.166 NC(=O)C1=C(N)C=C(Cl)C=C1 039336 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.166 NC(=O)C1=CC=C(Br)C=C1Br 467171 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.166 NC(=O)C1=CC=C(Cl)C=C1Cl 011135 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.166 O=C(Cl)C1=C(Br)C=C(Br)C=C1 062655 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.166 O=C(Cl)C1=C(Cl)C=C(Br)C=C1 038129 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.166 O=C(Cl)C1=C(F)C=C(I)C=C1 103809 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.166 O=C(Cl)C1=CC=C(F)C=C1Br 038137 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.61 O=C(Cl)C1=CC=CN=C1F 066676 [1,0,0,0,0,0|3,0,0]=4 13 B12R1.57 CCC1=C(C(=O)O)C=CC(Br)=C1 069431 [0,1,0,0,0,0|2,0,0]=3 14 B12R1.232 CC1=C(C(=O)O)C=C(Br)C(F)=C1 097663 [0,1,0,0,0,0|2,0,0]=3 15 B12R1.232 CC1=C(Cl)C=C(Cl)C(C(=O)O)=C1 037615 [0,1,0,0,0,0|2,0,0]=3 16 B12R1.232 CC1=CC(C(=O)O)=C(Cl)C=C1Br 070827 [0,1,0,0,0,0|2,0,0]=3 17 B12R1.232 CC1=CC(Cl)=C(C(=O)O)C=C1C 044221 [0,1,0,0,0,0|2,0,0]=3 18 B12R1.232 CC1=CC(Cl)=C(C)C=C1C(=O)O 037482 [0,1,0,0,0,0|2,0,0]=3 19 B12R1.232 O=C(O)C1=C(Br)C=C(Cl)C(I)=C1 038739 [0,1,0,0,0,0|2,0,0]=3 20 B12R1.232 O=C(O)C1=C(F)C=C(Br)C(Cl)=C1 069702 [0,1,0,0,0,0|2,0,0]=3 21 B12R1.893 CC(=O)C1=C(O)C(F)=C(F)C=C1 046461 [0,1,0,0,0,0|2,0,0]=3 22 B12R1.893 O=C(O)C1=CC=C(Cl)C(F)=C1F 037605 [0,1,0,0,0,0|2,0,0]=3 23 B12R1.893 O=C(O)C1=CC=C(F)C(Br)=C1F 070698 [0,1,0,0,0,0|2,0,0]=3 24 B12R1.1000 CC1=CC(C)=C(C(N)=O)C(C)=C1 102221 [0,1,0,0,0,0|3,0,0]=4 25 B12R1.1000 CC1=CC(Cl)=C(C(=O)O)C(C)=N1 029212 [0,1,0,0,0,0|3,0,0]=4 26 B12R1.1000 O=C(O)C1=C(F)C=C(I)C=C1F 037586 [0,1,0,0,0,0|2,0,0]=3 27 B12R1.1703 CNC(=O)C1=C(Br)C=C(Cl)C=C1 103535 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.1703 CNC(=O)C1=C(F)C=C(C)C=C1 104543 [0,1,0,0,0,0|3,0,0]=4 29 B12R1.1703 CNC(=O)C1=C(F)C=C(F)C=C1 102155 [0,1,0,0,0,0|3,0,0]=4 30 B12R1.1703 COC(=O)C1=CC=C(Br)C=C1Br 218279 [0,1,0,0,0,0|2,0,0]=3 31 B12R1.1703 C\C(=N\O)C1=CC=C(Cl)C=C1Cl 075984 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.59 CC1=CC(C)=C(C(=O)O)S1 059281 [0,0,0,0,1,0|3,0,0]=4 33 B10R1.59 O=C(O)C1=C(Br)C=C(Br)S1 217857 [0,0,0,0,1,0|3,0,0]=4 34 B12R1.233 NC(=O)CC1=C(F)C=C(Cl)C=C1 102743 [0,0,0,0,0,1|3,0,0]=4 35 B12R1.233 NC(=O)NC1=C(F)C=C(Br)C=C1 432428 [0,0,0,0,0,1|3,0,0]=4 36 B12R1.233 O=C(Cl)CC1=CC=C(Cl)C=C1F 070168 [0,0,0,0,0,1|3,0,0]=4 37 B9R1.15 C#CC1=CC=CC=C1O 222906 [2,0,0,0,0,0|1,0,1]=4 38 B9R1.69 OC1=CC=C(I)C(F)=C1 226296 [2,0,0,0,0,0|2,0,0]=4 39 B11R1.21 CC1=C(I)C=CC(C(=O)Cl)=C1 103960 [1,1,0,0,0,0|2,0,0]=4 40 B11R1.21 NC(=O)C1=CC=C(Cl)C(I)=C1 050135 [1,1,0,0,0,0|2,0,0]=4 41 B11R1.21 O=C(Cl)C1=CC(I)=C(Cl)C=C1 103976 [1,1,0,0,0,0|2,0,0]=4 42 B11R1.21 O=C(Cl)C1=CC=C(Cl)C(Br)=C1 038136 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.22 CC1=CC=C(C(=O)CCl)C=C1 180337 [1,1,0,0,0,0|2,0,0]=4 44 B11R1.277 CC1=C(C=O)C=C(F)C(Br)=C1 069438 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.277 CC1=C(Cl)C=C(Cl)C(C=O)=C1 037616 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.277 CC1=CC(Cl)=C(C)C=C1C=O 037483 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.277 O=CC1=C(Cl)C=C(Br)C(Cl)=C1 069421 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.277 O=CC1=C(Cl)C=C(Cl)C(Cl)=C1 097793 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.278 O=CC1=C(F)C(F)=C(Cl)C=C1 037606 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.464 O=CC1=C(Cl)C=C(Br)C=C1F 097821 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.464 O=CC1=C(F)C=C(Br)C=C1Br 229501 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.464 O=CC1=C(F)C=C(F)C=C1Br 333057 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.156 CC1=C(C(=O)O)C(Br)=NC=C1 070200 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.156 O=C(Cl)C1=C(F)C=CC=C1Br 038139 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.159 CC1=C(C(=O)Cl)C=CC=C1Cl 062740 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.159 CC1=CC=CC(C(=O)Cl)=C1Br 062785 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.159 NC(=O)C1=C(N)C(Cl)=CC=C1 094026 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.159 O=C(Cl)C1=C(Br)C(F)=CC=C1 062706 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.159 O=C(Cl)C1=C(Cl)C(F)=CC=C1 038156 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.167 CC1=CC(C(=O)Cl)=C(Br)C=C1 062787 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.167 CC1=CC(C(N)=O)=C(Cl)C=C1 094064 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.167 CC1=CC=C(Cl)C(C(=O)Cl)=C1 062748 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.167 NC(=O)C1=C(Cl)C=CC(I)=C1 104006 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.167 NC(=O)C1=C(I)C=CC(Cl)=C1 104007 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.167 O=C(Cl)C1=C(Cl)C=CC(I)=C1 038159 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.167 O=C(Cl)C1=C(I)C=CC(Br)=C1 246343 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.167 O=C(Cl)C1=C(I)C=CC(Cl)=C1 103977 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.167 O=C(Cl)C1=CC(Br)=CC=C1F 038143 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.222 COC(=O)C1=NC=CC=C1N 066881 [1,1,0,0,0,0|2,0,0]=4 70 B13R1.653 COC1=CC(Cl)=C(CC(=O)O)C=C1 080229 [0,1,0,0,0,1|1,0,0]=3 71 B13R1.2679 COC(=O)CC1=CC=C(F)C=C1Cl 091457 [0,1,0,0,0,1|2,0,0]=4 72 B13R1.165 CC(C)C1=C(C(=O)O)C=CC(Br)=C1 069704 [0,2,0,0,0,0|2,0,0]=4 73 B13R1.2398 COC1=CC(Cl)=C(Cl)C=C1C(=O)O 069728 [0,2,0,0,0,0|1,0,0]=3 74 B13R1.651 COC1=C(Cl)C=C(Cl)C(C(=O)O)=C1 069722 [0,2,0,0,0,0|2,0,0]=4 75 B13R1.1807 COC(=O)C1=C(C)C=C(Br)C(F)=C1 075251 [0,2,0,0,0,0|2,0,0]=4 76 B13R1.3096 COC1=C(C)C(C)=C(C(=O)O)C=C1 045101 [0,2,0,0,0,0|1,0,0]=3 77 B13R1.4656 COC(=O)C1=C(C)C=C(O)C=C1O 042139 [0,2,0,0,0,0|0,0,0]=2 78 B13R1.1511 CCOC(=O)C1=C(Br)C=C(Br)C=C1 098778 [0,2,0,0,0,0|2,0,0]=4 79 B13R1.1511 CCOC(=O)C1=C(C)C=C(Br)C=C1 450296 [0,2,0,0,0,0|2,0,0]=4 80 B13R1.1511 CCOC(=O)C1=C(O)C=C(Cl)C=C1 098654 [0,2,0,0,0,0|1,0,0]=3 81 B13R1.1511 CCOC(=O)C1=CC=C(N)C=C1Cl 037788 [0,2,0,0,0,0|2,0,0]=4 82 B11R1.20 O=C(Cl)CC1=CC=C(I)C=C1 402653 [1,0,0,0,0,1|2,0,0]=4 83 B11R1.74 CC1=CC(C(=O)O)=NC(C)=C1 209062 [0,0,0,0,1,1|2,0,0]=4 84 B13R1.164 O=C(O)CCC1=CC=C(F)C=C1Br 211926 [0,0,0,0,0,2|2,0,0]=4 85 B13R1.164 O=C(O)COC1=CC=C(F)C=C1Cl 065834 [0,0,0,0,0,2|2,0,0]=4