0 B10R1.4 CCOC1=C(Br)C=CC=N1 28270 [0,0,0,0,0,0|3,1,0]=4 1 B10R1.4 CCOC1=C(Br)C=CN=C1 29223 [0,0,0,0,0,0|3,1,0]=4 2 B10R1.4 CCOC1=CC=NC=C1N 28271 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.4 NCCC1=C(N)C=CC=C1 17930 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.4 NOCC1=CC=CC=C1Cl 28477 [0,0,0,0,0,0|1,1,0]=2 5 B10R1.4 NOCC1=CC=CC=C1F 29333 [0,0,0,0,0,0|1,1,0]=2 6 B10R1.4 O\N=C\C1=C(Cl)C=CC=C1 24130 [0,0,0,0,0,0|2,1,1]=4 7 B10R1.4 O\N=C\C1=C(O)C=CC=C1 22050 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.8 CCCC1=CC=CC=C1 27219 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.8 CCCC1=CC=CC=C1 29530 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.8 CCOC1=CC=CC=C1 30856 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.8 CCOC1=NC=CC=C1 27481 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.8 CNCC1=CC=CC=C1 23236 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.8 CNCC1=CC=CN=C1 23300 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.8 CNCC1=CC=NC=C1 23632 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.8 CNCC1=NC=CC=C1 23554 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.8 COCC1=CC=CN=C1 29457 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.8 COCC1=CC=NC=C1 29392 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.8 COCC1=NC=CC=C1 27516 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.8 NCCC1=CC=CC=C1 21747 [1,0,0,0,0,0|0,0,0]=1 20 B9R1.8 NCCC1=NC=CN=C1 17453 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.8 NCCC1=NC=CN=C1 23818 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.8 NOCC1=CC=CC=C1 02279 [1,0,0,0,0,0|1,0,0]=2 23 B9R1.8 OCCC1=CC=CC=C1 01623 [1,0,0,0,0,0|1,0,0]=2 24 B9R1.8 ONCC1=CC=CC=C1 31261 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.8 S=C=NC1=CC=CC=C1 24479 [1,0,0,0,0,0|2,0,1]=4 26 B9R1.15 BrCC1=C(Br)C=CC=C1 07247 [1,0,0,0,0,0|1,1,0]=3 27 B9R1.15 CC1=C(CN)C=CN=C1 18175 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.15 CCC1=C(Br)C=NC=C1 29280 [1,0,0,0,0,0|1,1,0]=3 29 B9R1.15 CCC1=C(O)C=CC=C1 26809 [1,0,0,0,0,0|1,0,0]=2 30 B9R1.15 COC1=C(Br)C=CC=C1 30420 [1,0,0,0,0,0|1,1,0]=3 31 B9R1.15 COC1=C(Cl)N=CC=C1 28752 [1,0,0,0,0,0|2,1,0]=4 32 B9R1.15 COC1=C(F)C=CC=C1 30023 [1,0,0,0,0,0|1,1,0]=3 33 B9R1.15 COC1=C(I)C=CC=C1 26768 [1,0,0,0,0,0|1,0,0]=2 34 B9R1.15 COC1=C(I)C=CC=N1 17151 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.15 COC1=C(I)N=CC=C1 17657 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.15 COC1=C(N)C=CN=C1 26333 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.15 COC1=CC=CN=C1Br 17332 [1,0,0,0,0,0|2,1,0]=4 38 B9R1.15 COC1=CC=CN=C1C 27922 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.15 COC1=CC=CN=C1N 26214 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.15 COC1=CC=NC=C1Br 18025 [1,0,0,0,0,0|2,1,0]=4 41 B9R1.15 COC1=CC=NC=C1I 20132 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.15 COC1=CC=NC=C1N 26215 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.15 COC1=NC=CC=C1Br 18024 [1,0,0,0,0,0|2,1,0]=4 44 B9R1.15 COC1=NC=CC=C1N 30330 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.15 ClC1=C(CBr)C=CC=C1 14034 [1,0,0,0,0,0|1,1,0]=3 46 B9R1.15 FC1=C(CBr)C=CC=C1 07253 [1,0,0,0,0,0|1,1,0]=3 47 B9R1.15 N#CC1=C(O)C=CC=C1 26803 [1,0,0,0,0,0|1,0,2]=4 48 B9R1.15 NC1=C(CCl)C=CC=N1 18029 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.15 NC1=C(CO)C=CC=N1 17074 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.15 NC1=CN=CC=C1CO 17398 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.15 NCC1=C(Cl)C=CC=N1 19564 [1,0,0,0,0,0|1,1,0]=3 52 B9R1.15 NCC1=C(Cl)N=CC=C1 19530 [1,0,0,0,0,0|1,1,0]=3 53 B9R1.15 NNC1=C(Cl)C=CC=N1 26149 [1,0,0,0,0,0|2,1,0]=4 54 B9R1.15 O=CC1=C(Br)C=CC=C1 21252 [1,0,0,0,0,0|1,1,1]=4 55 B9R1.15 O=CC1=C(F)C=CC=C1 30013 [1,0,0,0,0,0|1,1,1]=4 56 B9R1.15 O=CC1=C(O)C=CC=C1 21847 [1,0,0,0,0,0|2,0,1]=4 57 B9R1.15 OCC1=C(Cl)C=CC=C1 00064 [1,0,0,0,0,0|1,1,0]=3 58 B9R1.15 OCC1=C(F)C=CC=C1 31154 [1,0,0,0,0,0|1,1,0]=3 59 B9R1.15 OCC1=CC=CN=C1Cl 17223 [1,0,0,0,0,0|2,1,0]=4 60 B9R1.15 OCC1=NC=CC=C1O 27043 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.15 [O-][N+]1=CC=CC=C1CCl 26338 [1,0,0,0,0,0|3,0,0]=4 62 B11R1.13 CCNC1=C(Cl)C(Cl)=CC=C1 18230 [0,1,0,0,0,0|2,1,0]=4 63 B11R1.41 CCOC1=C(C=O)C=CC=C1 26869 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.41 COC1=C(CCN)C=CC=C1 32490 [0,1,0,0,0,0|1,0,0]=2 65 B11R1.81 CCNC1=C(Cl)C=C(Cl)C=C1 18231 [0,1,0,0,0,0|2,1,0]=4 66 B11R1.81 ONCC1=C(Cl)C=C(Cl)C=C1 29482 [0,1,0,0,0,0|2,1,0]=4 67 B11R1.86 CC(=O)NC1=C(I)C=CC=C1 23255 [0,1,0,0,0,0|2,0,1]=4 68 B11R1.86 CC1=C(NC(=N)N)C=CC=C1 20839 [0,1,0,0,0,0|2,0,1]=4 69 B11R1.86 CC1=C(NC(=N)N)C=CC=C1 20840 [0,1,0,0,0,0|2,0,1]=4 70 B11R1.86 CC1=C(NC(N)=S)C=CC=C1 24849 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.86 CN(C)CC1=C(N)C=CC=C1 20019 [0,1,0,0,0,0|3,0,0]=4 72 B11R1.86 N=C(N)NC1=C(Cl)C=CC=C1 20803 [0,1,0,0,0,0|1,1,1]=4 73 B11R1.86 N=C(N)NC1=C(F)C=CC=C1 20806 [0,1,0,0,0,0|1,1,1]=4 74 B11R1.86 NC(=S)NC1=C(F)C=CC=C1 24851 [0,1,0,0,0,0|1,1,1]=4 75 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 21246 [0,1,0,0,0,0|1,1,1]=4 76 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 21887 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.182 CCNC1=C(Cl)C=CC(Cl)=C1 18232 [0,1,0,0,0,0|2,1,0]=4 78 B11R1.222 CC1=C(C(=O)NN)C=CC=C1 27388 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.222 CC1=C(C(O)CN)C=CC=C1 23756 [0,1,0,0,0,0|1,0,0]=2 80 B11R1.222 COC(=O)C1=C(I)C=CC=C1 30029 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.222 NCC(O)C1=C(Cl)C=CC=C1 23687 [0,1,0,0,0,0|0,1,0]=2 82 B11R1.605 CCNC1=C(Cl)C=CC=C1Cl 18234 [0,1,0,0,0,0|2,1,0]=4 83 B11R2.10 NC1=NC2=C(C=CC=C2)N1 26960 [0,0,0,1,0,0|2,0,1]=4 84 B11R2.10 NC1CC2=C(C=CC=C2)C1 17047 [0,0,0,1,0,0|1,0,0]=2 85 B11R2.10 NC1CC2=C(C=CC=C2)C1 29942 [0,0,0,1,0,0|1,0,0]=2 86 B11R2.10 O=C1CC2=C(C=CC=C2)C1 14364 [0,0,0,1,0,0|2,0,1]=4 87 B11R2.10 O=C1CC2=C(C=CC=C2)N1 32065 [0,0,0,1,0,0|2,0,1]=4 88 B11R2.10 OC1CC2=C(C=CC=C2)C1 07203 [0,0,0,1,0,0|2,0,0]=3 89 B11R2.106 BrC1=C2CCNC2=CC=C1 20239 [0,0,0,1,0,0|0,1,0]=2 90 B11R2.106 BrC1=CC=CC2=C1C=CN2 21855 [0,0,0,1,0,0|0,1,2]=4 91 B11R2.106 BrC1=CC=CC2=C1C=NN2 20238 [0,0,0,1,0,0|1,1,1]=4 92 B11R2.106 CC1=C2NCCC2=CC=C1 20604 [0,0,0,1,0,0|3,0,0]=4 93 B11R2.106 CC1=CC=CC2=C1C=CN2 21994 [0,0,0,1,0,0|1,0,2]=4 94 B11R2.106 ClC1=C2CCNC2=CC=C1 17702 [0,0,0,1,0,0|0,1,0]=2 95 B11R2.106 ClC1=CC=CC2=C1C=CN2 21962 [0,0,0,1,0,0|0,1,2]=4 96 B11R2.106 FC1=C2C=NNC2=CC=C1 20287 [0,0,0,1,0,0|1,1,1]=4 97 B11R2.106 FC1=C2CCNC2=CC=C1 20288 [0,0,0,1,0,0|0,1,0]=2 98 B11R2.106 FC1=CC=CC2=C1C=CN2 21803 [0,0,0,1,0,0|0,1,2]=4 99 B11R2.106 IC1=C2CCNC2=CC=C1 20297 [0,0,0,1,0,0|0,0,0]=1 100 B11R2.106 NC1=CC=CC2=C1C=CN2 21898 [0,0,0,1,0,0|1,0,2]=4 101 B11R2.106 NC1=CC=CC2=C1C=NN2 26163 [0,0,0,1,0,0|2,0,1]=4 102 B11R2.106 OC1=CC=CC2=C1C=CN2 21841 [0,0,0,1,0,0|1,0,2]=4 103 B9R1.33 CC1=C(CCN)SC=N1 26241 [0,0,0,0,1,0|3,0,0]=4 104 B8R1.2 BrCC1=CC=CC=C1 00332 [2,0,0,0,0,0|1,0,0]=3 105 B8R1.2 C#CC1=CC=CC=C1 24540 [2,0,0,0,0,0|0,0,2]=4 106 B8R1.2 CC[N+]1=CC=CC=C1 31419 [2,0,0,0,0,0|1,0,0]=3 107 B8R1.2 CNC1=CN=CC=C1 18208 [2,0,0,0,0,0|2,0,0]=4 108 B8R1.2 COC1=CC=CC=C1 02045 [2,0,0,0,0,0|1,0,0]=3 109 B8R1.2 COC1=CC=NC=C1 28387 [2,0,0,0,0,0|2,0,0]=4 110 B8R1.2 COC1=NC=CC=C1 27017 [2,0,0,0,0,0|2,0,0]=4 111 B8R1.2 ClCC1=CC=CN=C1 06928 [2,0,0,0,0,0|2,0,0]=4 112 B8R1.2 ClCC1=CC=NC=C1 06929 [2,0,0,0,0,0|2,0,0]=4 113 B8R1.2 ClCC1=NC=CC=C1 06927 [2,0,0,0,0,0|2,0,0]=4 114 B8R1.2 N#CC1=CC=CC=C1 27352 [2,0,0,0,0,0|0,0,2]=4 115 B8R1.2 NCC1=CC=CC=C1 29916 [2,0,0,0,0,0|0,0,0]=2 116 B8R1.2 NCC1=CC=CN=C1 27056 [2,0,0,0,0,0|1,0,0]=3 117 B8R1.2 NCC1=CC=NC=C1 27066 [2,0,0,0,0,0|1,0,0]=3 118 B8R1.2 NCC1=CC=NC=C1 28201 [2,0,0,0,0,0|1,0,0]=3 119 B8R1.2 NCC1=CN=CC=N1 23715 [2,0,0,0,0,0|2,0,0]=4 120 B8R1.2 NCC1=NC=CC=N1 18223 [2,0,0,0,0,0|2,0,0]=4 121 B8R1.2 NCC1=NC=CC=N1 23716 [2,0,0,0,0,0|2,0,0]=4 122 B8R1.2 NNC1=CC=CC=C1 02348 [2,0,0,0,0,0|1,0,0]=3 123 B8R1.2 OCC1=CC=CC=C1 00371 [2,0,0,0,0,0|1,0,0]=3 124 B8R1.2 OCC1=CC=CN=C1 27054 [2,0,0,0,0,0|2,0,0]=4 125 B8R1.2 OCC1=CC=NC=C1 12966 [2,0,0,0,0,0|2,0,0]=4 126 B8R1.5 BrC1=C(Br)C=CC=C1 26731 [2,0,0,0,0,0|1,1,0]=4 127 B8R1.5 BrC1=C(Br)C=CC=C1 29549 [2,0,0,0,0,0|1,1,0]=4 128 B8R1.5 BrC1=C(I)C=CC=C1 26767 [2,0,0,0,0,0|1,0,0]=3 129 B8R1.5 CC1=C(Br)C=CC=N1 17037 [2,0,0,0,0,0|1,1,0]=4 130 B8R1.5 CC1=C(Br)N=CC=C1 28290 [2,0,0,0,0,0|1,1,0]=4 131 B8R1.5 CC1=C(Cl)C=CC=N1 28853 [2,0,0,0,0,0|1,1,0]=4 132 B8R1.5 CC1=C(Cl)N=CC=C1 28262 [2,0,0,0,0,0|1,1,0]=4 133 B8R1.5 CC1=C(F)C=CC=C1 30019 [2,0,0,0,0,0|0,1,0]=3 134 B8R1.5 CC1=C(F)C=NC=C1 28867 [2,0,0,0,0,0|1,1,0]=4 135 B8R1.5 CC1=C(N)C=CC=N1 17034 [2,0,0,0,0,0|2,0,0]=4 136 B8R1.5 CC1=CC=CN=C1F 27598 [2,0,0,0,0,0|1,1,0]=4 137 B8R1.5 CC1=CC=CN=C1I 28830 [2,0,0,0,0,0|1,0,0]=3 138 B8R1.5 CC1=CC=CN=C1N 27031 [2,0,0,0,0,0|2,0,0]=4 139 B8R1.5 CC1=CC=CN=C1O 27920 [2,0,0,0,0,0|2,0,0]=4 140 B8R1.5 CC1=CN=CC=C1Br 17700 [2,0,0,0,0,0|1,1,0]=4 141 B8R1.5 CC1=CN=CC=C1Br 28527 [2,0,0,0,0,0|1,1,0]=4 142 B8R1.5 CC1=CN=CC=C1N 28541 [2,0,0,0,0,0|2,0,0]=4 143 B8R1.5 CC1=NC=CC=C1F 29136 [2,0,0,0,0,0|1,1,0]=4 144 B8R1.5 CC1=NC=CC=C1I 29187 [2,0,0,0,0,0|1,0,0]=3 145 B8R1.5 CC1=[N+]([O-])C=CC=C1 26990 [2,0,0,0,0,0|2,0,0]=4 146 B8R1.5 C[N+]1=C(Cl)C=CC=C1 04881 [2,0,0,0,0,0|1,1,0]=4 147 B8R1.5 ClC1=C(Br)C=CC=C1 30431 [2,0,0,0,0,0|1,1,0]=4 148 B8R1.5 ClC1=C(I)C=CC=N1 28368 [2,0,0,0,0,0|2,0,0]=4 149 B8R1.5 FC1=C(Br)C=CC=C1 30361 [2,0,0,0,0,0|1,1,0]=4 150 B8R1.5 FC1=NC=CC=C1I 28713 [2,0,0,0,0,0|2,0,0]=4 151 B8R1.5 NC1=C(Br)C=CC=C1 27130 [2,0,0,0,0,0|0,1,0]=3 152 B8R1.5 NC1=C(Br)N=CC=C1 17019 [2,0,0,0,0,0|1,1,0]=4 153 B8R1.5 NC1=C(Cl)C=CC=N1 17023 [2,0,0,0,0,0|1,1,0]=4 154 B8R1.5 NC1=C(Cl)C=NC=C1 17261 [2,0,0,0,0,0|1,1,0]=4 155 B8R1.5 NC1=C(F)C=CC=C1 27132 [2,0,0,0,0,0|0,1,0]=3 156 B8R1.5 NC1=C(I)C=CC=N1 28533 [2,0,0,0,0,0|1,0,0]=3 157 B8R1.5 NC1=C(N)C=CC=C1 31478 [2,0,0,0,0,0|1,0,0]=3 158 B8R1.5 NC1=C(O)C=CN=C1 17149 [2,0,0,0,0,0|2,0,0]=4 159 B8R1.5 NC1=C(O)C=NC=C1 26270 [2,0,0,0,0,0|2,0,0]=4 160 B8R1.5 NC1=CC=CN=C1Cl 16971 [2,0,0,0,0,0|1,1,0]=4 161 B8R1.5 NC1=CC=CN=C1F 17335 [2,0,0,0,0,0|1,1,0]=4 162 B8R1.5 NC1=CC=CN=C1I 29050 [2,0,0,0,0,0|1,0,0]=3 163 B8R1.5 NC1=CC=CN=C1N 24516 [2,0,0,0,0,0|2,0,0]=4 164 B8R1.5 NC1=CC=CN=C1O 28734 [2,0,0,0,0,0|2,0,0]=4 165 B8R1.5 NC1=CC=NC=C1Br 28582 [2,0,0,0,0,0|1,1,0]=4 166 B8R1.5 NC1=CC=NC=C1F 28257 [2,0,0,0,0,0|1,1,0]=4 167 B8R1.5 NC1=CN=CC=C1Br 18983 [2,0,0,0,0,0|1,1,0]=4 168 B8R1.5 NC1=CN=CC=C1Cl 17040 [2,0,0,0,0,0|1,1,0]=4 169 B8R1.5 NC1=CN=CC=C1I 17273 [2,0,0,0,0,0|1,0,0]=3 170 B8R1.5 NC1=NC=CC=C1Br 28705 [2,0,0,0,0,0|1,1,0]=4 171 B8R1.5 NC1=NC=CC=C1F 18902 [2,0,0,0,0,0|1,1,0]=4 172 B8R1.5 NC1=NC=CC=C1O 16974 [2,0,0,0,0,0|2,0,0]=4 173 B8R1.5 OC1=C(I)N=CC=C1 27478 [2,0,0,0,0,0|2,0,0]=4 174 B8R1.5 OC1=C(O)C=CC=C1 00500 [2,0,0,0,0,0|2,0,0]=4 175 B10R1.1 CCCC1=CC=C(Br)C=C1 27327 [1,1,0,0,0,0|1,0,0]=3 176 B10R1.1 CCOC1=CC=C(Br)C=C1 30421 [1,1,0,0,0,0|2,0,0]=4 177 B10R1.1 NCCC1=CC=C(Br)C=C1 18380 [1,1,0,0,0,0|0,0,0]=2 178 B10R1.1 NCCC1=CC=C(N)C=C1 17000 [1,1,0,0,0,0|0,0,0]=2 179 B10R1.1 NCCC1=CC=C(O)C=C1 00831 [1,1,0,0,0,0|0,0,0]=2 180 B10R1.1 NCCC1=CC=C(O)C=C1 21913 [1,1,0,0,0,0|0,0,0]=2 181 B10R1.1 O=CCC1=CC=C(Cl)C=C1 17835 [1,1,0,0,0,0|1,0,1]=4 182 B10R1.1 O=CCC1=CC=C(F)C=C1 17837 [1,1,0,0,0,0|1,0,1]=4 183 B10R1.1 OCCC1=CC=C(Cl)C=C1 26850 [1,1,0,0,0,0|1,0,0]=3 184 B10R1.10 CCCC1=CC=CC(N)=N1 18146 [1,1,0,0,0,0|2,0,0]=4 185 B10R1.10 CCOC1=CC(F)=CC=C1 28380 [1,1,0,0,0,0|2,0,0]=4 186 B10R1.10 CCOC1=CC=CC(N)=C1 27146 [1,1,0,0,0,0|2,0,0]=4 187 B10R1.10 N#CCC1=CC(Br)=CC=C1 26792 [1,1,0,0,0,0|0,0,2]=4 188 B10R1.10 N#CCC1=CC(I)=CC=C1 27588 [1,1,0,0,0,0|0,0,2]=4 189 B10R1.10 N#CCC1=CC(O)=CC=C1 28724 [1,1,0,0,0,0|0,0,2]=4 190 B10R1.15 BrCC(Br)C1=CC=CC=C1 26738 [1,1,0,0,0,0|1,0,0]=3 191 B10R1.15 CCC(=O)C1=CC=CC=C1 27218 [1,1,0,0,0,0|1,0,1]=4 192 B10R1.15 CNC(C)C1=CC=CC=C1 28338 [1,1,0,0,0,0|2,0,0]=4 193 B10R1.15 NCC(O)C1=CC=CC=C1 22012 [1,1,0,0,0,0|0,0,0]=2 194 B10R1.15 NCC(O)C1=CC=CN=C1 17144 [1,1,0,0,0,0|1,0,0]=3 195 B10R1.15 NCC(O)C1=CC=CN=C1 23828 [1,1,0,0,0,0|1,0,0]=3 196 B10R1.15 NCC(O)C1=NC=CC=C1 23837 [1,1,0,0,0,0|1,0,0]=3 197 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 05373 [1,1,0,0,0,0|1,0,0]=3 198 B10R1.15 N[C@H](CO)C1=CC=CC=C1 05372 [1,1,0,0,0,0|1,0,0]=3 199 B10R1.15 O=C(CBr)C1=CC=CC=C1 01681 [1,1,0,0,0,0|1,0,1]=4 200 B10R1.15 O=C(CCl)C1=CC=CC=C1 12998 [1,1,0,0,0,0|1,0,1]=4 201 B10R1.15 OC[C@H](O)C1=CC=CC=C1 24591 [1,1,0,0,0,0|1,0,0]=3 202 B10R1.17 CCCCC1=CC=CC=C1 27221 [1,1,0,0,0,0|1,0,0]=3 203 B10R1.17 CCCC[N+]1=CC=CC=C1 31412 [1,1,0,0,0,0|2,0,0]=4 204 B10R1.17 CCCC[N+]1=CC=CC=C1 31413 [1,1,0,0,0,0|2,0,0]=4 205 B10R1.17 CNCCC1=CC=CC=C1 23237 [1,1,0,0,0,0|0,0,0]=2 206 B10R1.17 CNCCC1=CC=CN=C1 23587 [1,1,0,0,0,0|1,0,0]=3 207 B10R1.17 CNCCC1=CC=NC=C1 17201 [1,1,0,0,0,0|1,0,0]=3 208 B10R1.17 CNCCC1=NC=CC=C1 23232 [1,1,0,0,0,0|1,0,0]=3 209 B10R1.17 ClCC#CC1=CC=CC=C1 28941 [1,1,0,0,0,0|1,0,1]=4 210 B10R1.17 ClCOCC1=CC=CC=C1 00728 [1,1,0,0,0,0|1,0,0]=3 211 B10R1.17 OCC#CC1=CC=CC=C1 27592 [1,1,0,0,0,0|1,0,1]=4 212 B10R1.18 CC(N)CC1=CC=CN=C1 17923 [1,1,0,0,0,0|1,0,0]=3 213 B10R1.18 CC(N)CC1=CC=NC=C1 17924 [1,1,0,0,0,0|1,0,0]=3 214 B10R1.18 CC(N)CC1=CN=CC=N1 17922 [1,1,0,0,0,0|2,0,0]=4 215 B10R1.18 CC(N)CC1=NC=CC=C1 17610 [1,1,0,0,0,0|1,0,0]=3 216 B10R1.2 CCC1=CC=CC(C)=C1O 28454 [1,1,0,0,0,0|1,0,0]=3 217 B10R1.2 COC1=CC=CC(C)=C1N 30844 [1,1,0,0,0,0|2,0,0]=4 218 B10R1.20 CCC1=C(C#N)C=CC=C1 22426 [1,1,0,0,0,0|1,0,0]=3 219 B10R1.20 COC1=C(CO)C=CC=C1 14050 [1,1,0,0,0,0|2,0,0]=4 220 B10R1.20 COC1=C(OC)C=CC=C1 27166 [1,1,0,0,0,0|2,0,0]=4 221 B10R1.20 N#CC1=C(CCl)C=CC=C1 17032 [1,1,0,0,0,0|2,0,0]=4 222 B10R1.25 CC1=CC(Br)=CC=C1CO 29345 [1,1,0,0,0,0|2,0,0]=4 223 B10R1.25 CC1=CC(Cl)=CC=C1CO 28919 [1,1,0,0,0,0|2,0,0]=4 224 B10R1.25 CCC1=C(Br)C=C(N)C=C1 29476 [1,1,0,0,0,0|0,1,0]=3 225 B10R1.25 COC1=C(Br)C=C(Br)C=C1 30389 [1,1,0,0,0,0|1,1,0]=4 226 B10R1.25 COC1=C(Br)C=C(F)C=C1 27315 [1,1,0,0,0,0|1,1,0]=4 227 B10R1.25 COC1=C(I)C=C(Cl)C=C1 27716 [1,1,0,0,0,0|1,0,0]=3 228 B10R1.25 COC1=CC=C(C)C=C1O 27589 [1,1,0,0,0,0|2,0,0]=4 229 B10R1.25 COC1=CC=C(Cl)C=C1Br 27857 [1,1,0,0,0,0|1,1,0]=4 230 B10R1.25 COC1=CC=C(F)C=C1N 24899 [1,1,0,0,0,0|2,0,0]=4 231 B10R1.25 COC1=CC=C(S)C=C1F 28920 [1,1,0,0,0,0|1,1,0]=4 232 B10R1.25 NNC1=C(I)C=C(Cl)C=N1 29157 [1,1,0,0,0,0|2,0,0]=4 233 B10R1.30 CC1=CC=C(N)C(CO)=C1 27828 [1,1,0,0,0,0|2,0,0]=4 234 B10R1.30 COC1=C(C)C=CC(I)=C1 28997 [1,1,0,0,0,0|2,0,0]=4 235 B10R1.30 COC1=C(O)C=CC(C)=C1 29782 [1,1,0,0,0,0|2,0,0]=4 236 B10R1.30 COC1=C(O)C=CC(C)=C1 29784 [1,1,0,0,0,0|2,0,0]=4 237 B10R1.30 COC1=CC(Br)=CC=C1Cl 21663 [1,1,0,0,0,0|1,1,0]=4 238 B10R1.30 COC1=CC(Cl)=CC=C1N 17703 [1,1,0,0,0,0|2,0,0]=4 239 B10R1.30 ClC1=CC(CBr)=C(Cl)C=C1 24689 [1,1,0,0,0,0|1,1,0]=4 240 B10R1.61 CC(=O)C1=C(C)C=CC=C1 30419 [1,1,0,0,0,0|1,0,1]=4 241 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 26752 [1,1,0,0,0,0|0,1,1]=4 242 B10R1.61 CC(=O)C1=C(F)C=CC=C1 26745 [1,1,0,0,0,0|0,1,1]=4 243 B10R1.61 CC1=CC=CC=C1C(=N)N 20038 [1,1,0,0,0,0|1,0,1]=4 244 B10R1.61 N=C(N)C1=CC=CC=C1Br 19996 [1,1,0,0,0,0|0,1,1]=4 245 B10R1.61 N=C(N)C1=CC=CC=C1Cl 20015 [1,1,0,0,0,0|0,1,1]=4 246 B10R1.61 N=C(N)C1=CC=CC=C1F 17984 [1,1,0,0,0,0|0,1,1]=4 247 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 27155 [1,1,0,0,0,0|0,1,1]=4 248 B10R1.61 NC(=O)C1=C(N)C=CC=C1 24534 [1,1,0,0,0,0|1,0,1]=4 249 B10R1.61 NC(=S)C1=C(O)C=CC=C1 28538 [1,1,0,0,0,0|1,0,1]=4 250 B10R1.61 O=C(O)C1=C(I)C=CC=C1 24457 [1,1,0,0,0,0|1,0,1]=4 251 B10R1.61 O=[N+]([O-])C1=C(I)C=CC=C1 27099 [1,1,0,0,0,0|2,0,0]=4 252 B10R1.245 CC1=CC=CC(C)=C1CO 17396 [1,1,0,0,0,0|2,0,0]=4 253 B10R1.245 CC1=CC=CC(C)=C1NN 25014 [1,1,0,0,0,0|2,0,0]=4 254 B10R1.245 CCC1=C(Br)C=NC=C1Br 29485 [1,1,0,0,0,0|1,1,0]=4 255 B10R1.245 COC1=C(Br)C=CC=C1F 17175 [1,1,0,0,0,0|1,1,0]=4 256 B10R1.245 COC1=C(F)C=CC=C1N 17680 [1,1,0,0,0,0|1,1,0]=4 257 B10R1.245 O=CC1=C(F)C=CC=C1I 17983 [1,1,0,0,0,0|1,0,1]=4 258 B10R1.187 NCCN1C(=O)C=CC1=O 22987 [0,1,0,0,1,0|2,0,0]=4 259 B12R1.125 O=C(O)CCC1=C(O)C=CC=C1 27370 [0,2,0,0,0,0|2,0,0]=4 260 B12R1.308 N#CCC(=O)C1=CC=CC=C1I 20027 [0,2,0,0,0,0|0,0,2]=4 261 B12R1.371 CC(CN)OC1=C(Cl)C=CC=C1 23694 [0,2,0,0,0,0|0,1,0]=3 262 B12R1.77 COC1=C(C(O)CN)C=CC=C1 23755 [0,2,0,0,0,0|1,0,0]=3 263 B12R1.283 NCCC1=C([N+](=O)[O-])C=CC=C1 18757 [0,2,0,0,0,0|1,0,0]=3 264 B12R1.1703 CC1=CC=C(C(N)CO)C(C)=C1 29505 [0,2,0,0,0,0|2,0,0]=4 265 B10R2.7 C1=CC2=C(C=C1)CC=C2 21927 [1,0,0,1,0,0|1,0,1]=4 266 B10R2.7 C1=CC2=C(C=C1)NC=C2 21854 [1,0,0,1,0,0|0,0,2]=4 267 B10R2.7 C1=CC2=C(C=C1)NC=N2 26958 [1,0,0,1,0,0|1,0,1]=4 268 B10R2.7 C1=CC2=C(C=C1)NN=N2 24501 [1,0,0,1,0,0|2,0,0]=4 269 B10R2.7 C1=CC2=C(CCC2)N=C1 26968 [1,0,0,1,0,0|2,0,0]=4 270 B10R2.7 C1=CC2=C(N=C1)NCC2 28977 [1,0,0,1,0,0|1,0,0]=3 271 B12R2.202 O=C1CC2=C(C=CC=C2Br)N1 26203 [0,1,0,1,0,0|0,1,1]=4 272 B12R2.202 O=C1CC2=C(C=CC=C2Cl)N1 17482 [0,1,0,1,0,0|0,1,1]=4 273 B12R2.1081 ClC1=C2CNCCC2=CC=C1 20617 [0,1,0,1,0,0|1,0,0]=3 274 B12R2.1081 NC1=CC=CC2=C1OCCO2 26168 [0,1,0,1,0,0|2,0,0]=4 275 B12R2.1081 NC1CCOC2=C1C=CC=C2 17363 [0,1,0,1,0,0|2,0,0]=4 276 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 19637 [0,1,0,1,0,0|2,0,0]=4 277 B12R2.1081 N[C@H]1CCOC2=CC=CC=C21 18346 [0,1,0,1,0,0|2,0,0]=4 278 B12R2.1081 O=C1NCCC2=C1C=CC=C2 20083 [0,1,0,1,0,0|1,0,0]=3 279 B12R2.1081 OC1CCCC2=CC=CC=C21 26786 [0,1,0,1,0,0|2,0,0]=4 280 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 18151 [0,1,0,1,0,0|1,0,0]=3 281 B12R2.24 BrC1=CN=C2CCNCC2=C1 18027 [0,1,0,1,0,0|2,0,0]=4 282 B12R2.24 CC1=CC=C2CCNCC2=C1 20603 [0,1,0,1,0,0|1,0,0]=3 283 B12R2.24 CC1=CC=C2CNCCC2=C1 20552 [0,1,0,1,0,0|1,0,0]=3 284 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 19248 [0,1,0,1,0,0|1,0,0]=3 285 B12R2.24 ClC1=CC=C2CNCCC2=C1 19194 [0,1,0,1,0,0|1,0,0]=3 286 B12R2.24 ClC1=CC=C2CNCCC2=C1 19195 [0,1,0,1,0,0|1,0,0]=3 287 B12R2.24 FC1=CC=C2CCNCC2=C1 19254 [0,1,0,1,0,0|1,0,0]=3 288 B12R2.24 FC1=CC=C2CNCCC2=C1 19208 [0,1,0,1,0,0|1,0,0]=3 289 B12R2.24 FC1=CC=C2CNCCC2=C1 19209 [0,1,0,1,0,0|1,0,0]=3 290 B12R2.24 NC1=CC2=C(C=C1)CCNC2 17886 [0,1,0,1,0,0|1,0,0]=3 291 B12R2.24 NC1=CC2=C(C=C1)CNCC2 19166 [0,1,0,1,0,0|1,0,0]=3 292 B12R2.24 NC1CCC2=C(C=CC=C2)C1 18439 [0,1,0,1,0,0|1,0,0]=3 293 B12R2.24 NC1COC2=C(C=CC=C2)C1 20658 [0,1,0,1,0,0|1,0,0]=3 294 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 18446 [0,1,0,1,0,0|1,0,1]=4 295 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 14365 [0,1,0,1,0,0|2,0,0]=4 296 B12R2.24 OC1=CC2=C(C=C1)CNCC2 17885 [0,1,0,1,0,0|1,0,0]=3 297 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 17139 [0,1,0,1,0,0|1,0,1]=4 298 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 20647 [0,1,0,1,0,0|1,0,1]=4 299 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 18173 [0,1,0,1,0,0|1,0,1]=4 300 B12R2.32 OC[C@@H]1CC2=C(C=CC=C2)N1 16551 [0,1,0,1,0,0|2,0,0]=4 301 B12R2.196 O=C1CCC2=C1C=CC=C2Br 31298 [0,1,0,1,0,0|1,1,0]=4 302 B12R2.1 NCC1=NNC2=CC=CC=C21 19307 [0,1,0,1,0,0|1,0,1]=4 303 B12R2.1 NCC1CCC2=C1C=CC=C2 19369 [0,1,0,1,0,0|1,0,0]=3 304 B12R2.315 COC1=C2CCNC2=CC=C1 20305 [0,1,0,1,0,0|1,0,0]=3 305 B12R2.315 COC1=C2CCNC2=CC=C1 29848 [0,1,0,1,0,0|1,0,0]=3 306 B12R2.315 N#CC1=C2CCNC2=CC=C1 20279 [0,1,0,1,0,0|1,0,0]=3 307 B12R2.606 NC1CC2=C(C=C(Br)C=C2)C1 20386 [0,1,0,1,0,0|1,0,0]=3 308 B8R1.8 NCCC1=CNC=N1 00178 [1,0,0,0,1,0|2,0,0]=4 309 B8R1.8 NCCC1=CNC=N1 21888 [1,0,0,0,1,0|2,0,0]=4 310 B8R1.8 NCCC1=CNC=N1 32474 [1,0,0,0,1,0|2,0,0]=4 311 B8R1.8 NCCC1=CON=C1 18732 [1,0,0,0,1,0|2,0,0]=4 312 B8R1.8 NCCC1=CSC=C1 26286 [1,0,0,0,1,0|1,0,0]=3 313 B8R1.8 NCCC1=NC=CS1 18801 [1,0,0,0,1,0|2,0,0]=4 314 B8R1.8 NCCN1C=CN=C1 23546 [1,0,0,0,1,0|2,0,0]=4 315 B8R1.8 NCCN1C=CN=C1 23717 [1,0,0,0,1,0|2,0,0]=4