0 B11R1.182 CCNC1=C(Cl)C=CC(Cl)=C1 18232 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.4 NCCC1=C(N)C=CC=C1 17930 [1,0,0,0,0,0|1,0,0]=2 2 B10R1.4 NOCC1=CC=CC=C1Cl 28477 [1,0,0,0,0,0|2,0,0]=3 3 B10R1.4 NOCC1=CC=CC=C1F 29333 [1,0,0,0,0,0|2,0,0]=3 4 B10R1.10 CCCC1=CC=CC(N)=N1 18146 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.10 CCOC1=CC(F)=CC=C1 28380 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.10 CCOC1=CC=CC(N)=C1 27146 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.10 N#CCC1=CC(Br)=CC=C1 26792 [1,0,0,0,0,0|1,0,2]=4 8 B10R1.10 N#CCC1=CC(I)=CC=C1 27588 [1,0,0,0,0,0|1,0,2]=4 9 B10R1.10 N#CCC1=CC(O)=CC=C1 28724 [1,0,0,0,0,0|1,0,2]=4 10 B10R1.30 CC1=C(C#N)C=C(N)C=C1 27456 [1,0,0,0,0,0|1,0,2]=4 11 B10R1.30 CC1=CC(C#N)=C(N)C=C1 29491 [1,0,0,0,0,0|1,0,2]=4 12 B10R1.30 CC1=CC=C(Br)C(C#N)=C1 29282 [1,0,0,0,0,0|1,0,2]=4 13 B10R1.30 CC1=CC=C(Br)C=C1C#N 29074 [1,0,0,0,0,0|1,0,2]=4 14 B10R1.30 CC1=CC=C(Cl)C=C1C#N 22472 [1,0,0,0,0,0|1,0,2]=4 15 B10R1.30 CC1=CC=C(F)C=C1C#N 27615 [1,0,0,0,0,0|1,0,2]=4 16 B10R1.30 CC1=CC=C(N)C(CO)=C1 27828 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.30 COC1=C(C)C=CC(I)=C1 28997 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.30 COC1=C(O)C=CC(C)=C1 29782 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.30 COC1=C(O)C=CC(C)=C1 29784 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.30 COC1=CC(Br)=CC=C1Cl 21663 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.30 COC1=CC(Cl)=CC=C1N 17703 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.30 ClC1=CC(CBr)=C(Cl)C=C1 24689 [1,0,0,0,0,0|3,0,0]=4 23 B12R1.127 CC1=CC(CC(=O)O)=C(C)C=C1 27375 [0,1,0,0,0,0|1,0,1]=3 24 B12R1.354 CCC(=O)C1=CC(C)=CC=C1O 24696 [0,1,0,0,0,0|2,0,1]=4 25 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 18151 [0,0,0,1,0,0|3,0,0]=4 26 B12R2.24 CC1=CC=C2CCNCC2=C1 20603 [0,0,0,1,0,0|2,0,0]=3 27 B12R2.24 CC1=CC=C2CNCCC2=C1 20552 [0,0,0,1,0,0|0,0,0]=1 28 B12R2.24 CC1=NC2=C(C=C1)CCCN2 19261 [0,0,0,1,0,0|3,0,0]=4 29 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 19248 [0,0,0,1,0,0|3,0,0]=4 30 B12R2.24 ClC1=CC=C2CNCCC2=C1 19194 [0,0,0,1,0,0|1,0,0]=2 31 B12R2.24 ClC1=CC=C2CNCCC2=C1 19195 [0,0,0,1,0,0|1,0,0]=2 32 B12R2.24 FC1=CC=C2CCNCC2=C1 19254 [0,0,0,1,0,0|3,0,0]=4 33 B12R2.24 FC1=CC=C2CNCCC2=C1 19208 [0,0,0,1,0,0|1,0,0]=2 34 B12R2.24 FC1=CC=C2CNCCC2=C1 19209 [0,0,0,1,0,0|1,0,0]=2 35 B12R2.24 NC1=CC2=C(C=C1)CCNC2 17886 [0,0,0,1,0,0|3,0,0]=4 36 B12R2.24 NC1=CC2=C(C=C1)CNCC2 19166 [0,0,0,1,0,0|1,0,0]=2 37 B12R2.24 OC1=CC2=C(C=C1)CNCC2 17885 [0,0,0,1,0,0|1,0,0]=2 38 B12R2.606 CC1=CC2=C(C=C1)NC(=O)C2 19127 [0,0,0,1,0,0|2,0,1]=4 39 B12R2.606 NC1CC2=C(C=C(Br)C=C2)C1 20386 [0,0,0,1,0,0|1,0,0]=2 40 B10R1.130 CC1=CC(C)=NN1CCN 17052 [0,0,0,0,1,0|2,0,0]=3 41 B10R1.187 CN1N=CC(Br)=C1CCN 26257 [0,0,0,0,1,0|3,0,0]=4 42 B10R1.187 NCCN1C(=O)C=CC1=O 22987 [0,0,0,0,1,0|3,0,0]=4 43 B9R1.8 CCCC1=CC=CC=C1 27219 [2,0,0,0,0,0|1,0,0]=3 44 B9R1.8 CCCC1=CC=CC=C1 29530 [2,0,0,0,0,0|1,0,0]=3 45 B9R1.8 CCOC1=CC=CC=C1 30856 [2,0,0,0,0,0|2,0,0]=4 46 B9R1.8 CNCC1=CC=CC=C1 23236 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.8 NCCC1=CC=CC=C1 21747 [2,0,0,0,0,0|0,0,0]=2 48 B9R1.8 NCCC1=NC=CN=C1 17453 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.8 NCCC1=NC=CN=C1 23818 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.8 NOCC1=CC=CC=C1 02279 [2,0,0,0,0,0|1,0,0]=3 51 B9R1.8 OCCC1=CC=CC=C1 01623 [2,0,0,0,0,0|1,0,0]=3 52 B9R1.8 ONCC1=CC=CC=C1 31261 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.15 BrCC1=C(Br)C=CC=C1 07247 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.15 CC1=C(CN)C=CN=C1 18175 [2,0,0,0,0,0|1,0,0]=3 55 B9R1.15 CCC1=C(Br)C=NC=C1 29280 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.15 CCC1=C(O)C=CC=C1 26809 [2,0,0,0,0,0|1,0,0]=3 57 B9R1.15 COC1=C(Br)C=CC=C1 30420 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.15 COC1=C(F)C=CC=C1 30023 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.15 COC1=C(I)C=CC=C1 26768 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.15 COC1=CC=CN=C1C 27922 [2,0,0,0,0,0|2,0,0]=4 61 B9R1.15 ClC1=C(CBr)C=CC=C1 14034 [2,0,0,0,0,0|2,0,0]=4 62 B9R1.15 FC1=C(CBr)C=CC=C1 07253 [2,0,0,0,0,0|2,0,0]=4 63 B9R1.15 NCC1=C(Cl)C=CC=N1 19564 [2,0,0,0,0,0|2,0,0]=4 64 B9R1.15 NCC1=C(Cl)N=CC=C1 19530 [2,0,0,0,0,0|2,0,0]=4 65 B9R1.15 OCC1=C(Cl)C=CC=C1 00064 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.15 OCC1=C(F)C=CC=C1 31154 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.2 BrCC1=CC(Br)=CC=C1 00425 [2,0,0,0,0,0|2,0,0]=4 68 B9R1.2 CC1=CC(CN)=NC=C1 26193 [2,0,0,0,0,0|1,0,0]=3 69 B9R1.2 CC1=CN=CC(CCl)=C1 29342 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.2 CC1=NC(CCl)=CC=C1 28539 [2,0,0,0,0,0|2,0,0]=4 71 B9R1.2 CC1=NC(CN)=CC=C1 17766 [2,0,0,0,0,0|1,0,0]=3 72 B9R1.2 CCC1=CC(Br)=NC=C1 28599 [2,0,0,0,0,0|2,0,0]=4 73 B9R1.2 CCC1=CC(N)=NC=C1 27934 [2,0,0,0,0,0|2,0,0]=4 74 B9R1.2 CCC1=CC=CC(Br)=C1 28104 [2,0,0,0,0,0|1,0,0]=3 75 B9R1.2 CCC1=CC=CC(O)=C1 26816 [2,0,0,0,0,0|1,0,0]=3 76 B9R1.2 CCC1=CC=CC(O)=C1 29553 [2,0,0,0,0,0|1,0,0]=3 77 B9R1.2 CCC1=NC(C)=CC=C1 27484 [2,0,0,0,0,0|1,0,0]=3 78 B9R1.2 COC1=CC=CC(Br)=C1 21480 [2,0,0,0,0,0|2,0,0]=4 79 B9R1.2 COC1=CC=CC(C)=N1 28841 [2,0,0,0,0,0|2,0,0]=4 80 B9R1.2 COC1=CC=CC(Cl)=C1 26754 [2,0,0,0,0,0|2,0,0]=4 81 B9R1.2 COC1=CC=CC(F)=C1 30017 [2,0,0,0,0,0|2,0,0]=4 82 B9R1.2 COC1=CC=CC(O)=C1 00432 [2,0,0,0,0,0|2,0,0]=4 83 B9R1.2 COC1=NC=CC(C)=C1 28913 [2,0,0,0,0,0|2,0,0]=4 84 B9R1.2 ClC1=CC(CBr)=CC=C1 14035 [2,0,0,0,0,0|2,0,0]=4 85 B9R1.2 FC1=CC(CBr)=CC=C1 07254 [2,0,0,0,0,0|2,0,0]=4 86 B9R1.2 NCC1=CC(I)=CC=C1 28182 [2,0,0,0,0,0|1,0,0]=3 87 B9R1.2 NCC1=CC=CC(I)=C1 27339 [2,0,0,0,0,0|1,0,0]=3 88 B9R1.2 OCC1=CC(F)=CC=C1 31155 [2,0,0,0,0,0|2,0,0]=4 89 B9R1.69 CC1=C(C)N=C(N)C=C1 28911 [2,0,0,0,0,0|2,0,0]=4 90 B9R1.69 CC1=C(C)N=CC(Br)=C1 29341 [2,0,0,0,0,0|2,0,0]=4 91 B9R1.69 CC1=C(I)C=C(N)C=C1 27676 [2,0,0,0,0,0|2,0,0]=4 92 B9R1.69 CC1=C(N)C=CC(I)=C1 30827 [2,0,0,0,0,0|2,0,0]=4 93 B9R1.69 CC1=C(N)C=CC(N)=C1 17451 [2,0,0,0,0,0|2,0,0]=4 94 B9R1.69 CC1=C(O)C=C(Cl)C=C1 27750 [2,0,0,0,0,0|2,0,0]=4 95 B9R1.69 CC1=C(O)C=CC(Cl)=C1 26818 [2,0,0,0,0,0|2,0,0]=4 96 B9R1.69 CC1=C(O)C=CC(O)=C1 30342 [2,0,0,0,0,0|2,0,0]=4 97 B9R1.69 CC1=CC(Br)=C(C)N=C1 28268 [2,0,0,0,0,0|2,0,0]=4 98 B9R1.69 CC1=CC(Br)=C(O)C=C1 26805 [2,0,0,0,0,0|2,0,0]=4 99 B9R1.69 CC1=CC(C)=C(Br)C=N1 29242 [2,0,0,0,0,0|2,0,0]=4 100 B9R1.69 CC1=CC(C)=C(Br)N=C1 28269 [2,0,0,0,0,0|2,0,0]=4 101 B9R1.69 CC1=CC(N)=C(Br)C=N1 29016 [2,0,0,0,0,0|2,0,0]=4 102 B9R1.69 CC1=CC(N)=C(Cl)N=C1 28766 [2,0,0,0,0,0|2,0,0]=4 103 B9R1.69 CC1=CC(O)=CC=C1Br 27863 [2,0,0,0,0,0|2,0,0]=4 104 B9R1.69 CC1=CC=C(Br)C(I)=C1 29060 [2,0,0,0,0,0|2,0,0]=4 105 B9R1.69 CC1=CC=C(Br)C(N)=C1 17974 [2,0,0,0,0,0|1,0,0]=3 106 B9R1.69 CC1=CC=C(Br)C(N)=N1 28707 [2,0,0,0,0,0|2,0,0]=4 107 B9R1.69 CC1=CC=C(Br)C=C1C 12975 [2,0,0,0,0,0|1,0,0]=3 108 B9R1.69 CC1=CC=C(C)C(Br)=N1 29362 [2,0,0,0,0,0|2,0,0]=4 109 B9R1.69 CC1=CC=C(Cl)C(Br)=C1 27858 [2,0,0,0,0,0|2,0,0]=4 110 B9R1.69 CC1=CC=C(F)C=C1Cl 31163 [2,0,0,0,0,0|2,0,0]=4 111 B9R1.69 CC1=CC=C(F)C=C1N 21901 [2,0,0,0,0,0|1,0,0]=3 112 B9R1.69 CC1=CC=C(I)C(Br)=C1 27860 [2,0,0,0,0,0|2,0,0]=4 113 B9R1.69 CC1=CC=C(N)C(I)=C1 28728 [2,0,0,0,0,0|2,0,0]=4 114 B9R1.69 CC1=CC=C(O)C=C1Br 29091 [2,0,0,0,0,0|2,0,0]=4 115 B9R1.69 CC1=CN=C(Br)C(N)=C1 29097 [2,0,0,0,0,0|2,0,0]=4 116 B9R1.69 CC1=CN=C(C)C(C)=C1 31937 [2,0,0,0,0,0|1,0,0]=3 117 B9R1.69 CC1=CN=C(Cl)C(C)=C1 29361 [2,0,0,0,0,0|2,0,0]=4 118 B9R1.69 CC1=CN=C(N)C(C)=C1 29283 [2,0,0,0,0,0|2,0,0]=4 119 B9R1.69 CC1=NC(C)=C(Br)C=C1 28278 [2,0,0,0,0,0|2,0,0]=4 120 B9R1.69 CC1=NC(C)=C(N)C=C1 28532 [2,0,0,0,0,0|2,0,0]=4 121 B9R1.69 CC1=NC=C(Br)C=C1N 29148 [2,0,0,0,0,0|2,0,0]=4 122 B9R1.69 NC1=C(F)C=CC(Br)=C1 29748 [2,0,0,0,0,0|2,0,0]=4 123 B9R1.69 NC1=C(I)C=CC(Cl)=C1 17354 [2,0,0,0,0,0|2,0,0]=4 124 B9R1.69 NC1=CC(Br)=CC=C1O 28279 [2,0,0,0,0,0|2,0,0]=4 125 B9R1.69 NC1=CC(F)=CC=C1O 24900 [2,0,0,0,0,0|2,0,0]=4 126 B11R1.41 COC1=C(CCN)C=CC=C1 32490 [1,1,0,0,0,0|0,0,0]=2 127 B11R1.86 CC1=C(NC(=N)N)C=CC=C1 20839 [1,1,0,0,0,0|1,0,1]=4 128 B11R1.86 CC1=C(NC(=N)N)C=CC=C1 20840 [1,1,0,0,0,0|1,0,1]=4 129 B11R1.86 CC1=C(NC(N)=S)C=CC=C1 24849 [1,1,0,0,0,0|1,0,1]=4 130 B11R1.222 CC1=C(C(=O)NN)C=CC=C1 27388 [1,1,0,0,0,0|1,0,1]=4 131 B11R1.222 CC1=C(C(O)CN)C=CC=C1 23756 [1,1,0,0,0,0|0,0,0]=2 132 B11R1.222 NCC(O)C1=C(Cl)C=CC=C1 23687 [1,1,0,0,0,0|1,0,0]=3 133 B11R1.23 NCC(O)C1=CC=CC(O)=C1 32497 [1,1,0,0,0,0|1,0,0]=3 134 B11R1.24 CNCCC1=CC(C)=CC=C1 19438 [1,1,0,0,0,0|0,0,0]=2 135 B11R1.157 CC1=CC=CC(NC(N)=S)=C1 24850 [1,1,0,0,0,0|1,0,1]=4 136 B11R1.157 NC(=O)CC1=CC(O)=CC=C1 28948 [1,1,0,0,0,0|1,0,1]=4 137 B11R1.189 COC1=CC=CC(CC#N)=C1 26793 [1,1,0,0,0,0|0,0,2]=4 138 B11R1.189 COC1=CC=CC(CCN)=C1 32493 [1,1,0,0,0,0|0,0,0]=2 139 B11R1.192 NCCC1=CC=C(O)C(O)=C1 11757 [1,1,0,0,0,0|1,0,0]=3 140 B11R1.37 COC1=C(CO)C=CC(Br)=C1 29028 [1,1,0,0,0,0|2,0,0]=4 141 B11R1.37 COC1=C(CO)C=CC(Cl)=C1 28645 [1,1,0,0,0,0|2,0,0]=4 142 B11R1.37 COC1=C(CO)C=CC(O)=C1 28285 [1,1,0,0,0,0|2,0,0]=4 143 B11R1.37 COC1=CC=C(Br)C=C1OC 27167 [1,1,0,0,0,0|2,0,0]=4 144 B11R1.167 CC1=CC=C(F)C=C1C(=N)N 20401 [1,1,0,0,0,0|1,0,1]=4 145 B11R1.280 CCC1=CC(OC)=C(O)C=C1 27548 [1,1,0,0,0,0|2,0,0]=4 146 B11R1.280 COC1=C(O)C=CC(CN)=C1 27642 [1,1,0,0,0,0|2,0,0]=4 147 B11R1.280 COC1=C(O)C=CC(CO)=C1 12971 [1,1,0,0,0,0|2,0,0]=4 148 B11R2.10 NC1CC2=C(C=CC=C2)C1 17047 [1,0,0,1,0,0|0,0,0]=2 149 B11R2.10 NC1CC2=C(C=CC=C2)C1 29942 [1,0,0,1,0,0|0,0,0]=2 150 B11R2.10 O=C1CC2=C(C=CC=C2)C1 14364 [1,0,0,1,0,0|1,0,1]=4 151 B11R2.10 OC1CC2=C(C=CC=C2)C1 07203 [1,0,0,1,0,0|1,0,0]=3 152 B11R2.106 BrC1=C2CCNC2=CC=C1 20239 [1,0,0,1,0,0|1,0,0]=3 153 B11R2.106 CC1=C2NCCC2=CC=C1 20604 [1,0,0,1,0,0|2,0,0]=4 154 B11R2.106 CC1=CC=CC2=C1C=CN2 21994 [1,0,0,1,0,0|0,0,2]=4 155 B11R2.106 ClC1=C2CCNC2=CC=C1 17702 [1,0,0,1,0,0|1,0,0]=3 156 B11R2.106 FC1=C2CCNC2=CC=C1 20288 [1,0,0,1,0,0|1,0,0]=3 157 B11R2.106 IC1=C2CCNC2=CC=C1 20297 [1,0,0,1,0,0|1,0,0]=3 158 B11R2.36 BrC1=CC2=C(C=C1)NCC2 17214 [1,0,0,1,0,0|1,0,0]=3 159 B11R2.36 CC1=CC2=C(C=C1)NC=C2 21951 [1,0,0,1,0,0|0,0,2]=4 160 B11R2.36 CC1=CC2=C(C=C1)NCC2 19131 [1,0,0,1,0,0|0,0,0]=2 161 B11R2.36 CC1=CC=C2NN=CC2=C1 19130 [1,0,0,1,0,0|1,0,1]=4 162 B11R2.36 ClC1=CC=C2NCCC2=C1 17280 [1,0,0,1,0,0|1,0,0]=3 163 B11R2.36 FC1=CC=C2NCCC2=C1 17283 [1,0,0,1,0,0|1,0,0]=3 164 B11R2.36 NC1=CC2=C(C=C1)NCC2 21080 [1,0,0,1,0,0|1,0,0]=3 165 B13R2.155 NC1CCC2=CC=C(Cl)C=C2C1 19250 [0,1,0,1,0,0|1,0,0]=3 166 B13R2.5179 O=C1NCCC2=C1C=CC(Br)=C2 20497 [0,1,0,1,0,0|1,0,1]=4 167 B13R2.5179 O=C1NCCC2=C1C=CC(Cl)=C2 20517 [0,1,0,1,0,0|1,0,1]=4 168 B13R2.5179 O=C1NCCC2=CC(O)=CC=C12 20537 [0,1,0,1,0,0|1,0,1]=4 169 B13R2.57 COC1=CC2=C(C=C1)CNCC2 17763 [0,1,0,1,0,0|0,0,0]=2 170 B13R2.57 COC1=CC2=C(C=C1)NCCC2 24155 [0,1,0,1,0,0|2,0,0]=4 171 B13R2.57 COC1=CC=C2CCNCC2=C1 19258 [0,1,0,1,0,0|2,0,0]=4 172 B13R2.57 O=CC1=CC=C2CCCCC2=C1 27459 [0,1,0,1,0,0|1,0,1]=4 173 B13R2.162 CC1=CC=C2OCCC(N)C2=C1 19230 [0,1,0,1,0,0|2,0,0]=4 174 B13R2.3683 NC1CCC2=CC(Br)=CC=C2C1 19174 [0,1,0,1,0,0|1,0,0]=3 175 B13R2.3683 NC1CCC2=CC(F)=CC=C2C1 20525 [0,1,0,1,0,0|1,0,0]=3 176 B13R2.3683 O=C1CCC2=C(C=CC(F)=C2)C1 17761 [0,1,0,1,0,0|2,0,0]=4 177 B13R2.3683 O=C1CCC2=CC(Br)=CC=C2C1 17157 [0,1,0,1,0,0|2,0,0]=4 178 B9R1.33 CC1=C(CCN)SC=N1 26241 [1,0,0,0,1,0|2,0,0]=4 179 B9R1.22 CC1=NN(C)C=C1CN 17299 [1,0,0,0,1,0|2,0,0]=4