0 B10R1.10 CCCC1=CC=CC(N)=N1 18146 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.10 CCOC1=CC(F)=CC=C1 28380 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.10 CCOC1=CC=CC(N)=C1 27146 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.10 CCOC1=CC=NC(N)=C1 18996 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.10 CCOC1=NC(Br)=CC=C1 28276 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.10 CCOC1=NC(N)=CC=C1 17759 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.10 CCOC1=NC=CC(N)=C1 17650 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.10 N#CCC1=CC(Br)=CC=C1 26792 [0,0,0,0,0,0|1,0,2]=3 8 B10R1.10 N#CCC1=CC(I)=CC=C1 27588 [0,0,0,0,0,0|1,0,2]=3 9 B10R1.10 N#CCC1=CC(O)=CC=C1 28724 [0,0,0,0,0,0|0,0,2]=2 10 B9R1.2 BrCC1=CC(Br)=CC=C1 00425 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.2 C#CC1=CC=CC(N)=C1 27389 [1,0,0,0,0,0|1,0,2]=4 12 B9R1.2 CC1=CC(CN)=NC=C1 26193 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.2 CC1=CN=CC(CCl)=C1 29342 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.2 CC1=NC(CCl)=CC=C1 28539 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.2 CC1=NC(CN)=CC=C1 17766 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.2 CCC1=CC(Br)=NC=C1 28599 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.2 CCC1=CC(N)=NC=C1 27934 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.2 CCC1=CC=CC(Br)=C1 28104 [1,0,0,0,0,0|1,0,0]=2 19 B9R1.2 CCC1=CC=CC(O)=C1 26816 [1,0,0,0,0,0|0,0,0]=1 20 B9R1.2 CCC1=CC=CC(O)=C1 29553 [1,0,0,0,0,0|0,0,0]=1 21 B9R1.2 CCC1=NC(C)=CC=C1 27484 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.2 COC1=CC(Br)=NC=C1 28934 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.2 COC1=CC(Cl)=CC=N1 17704 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.2 COC1=CC(N)=CC=N1 17450 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.2 COC1=CC(N)=NC=C1 26221 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.2 COC1=CC=CC(Br)=C1 21480 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.2 COC1=CC=CC(C)=N1 28841 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.2 COC1=CC=CC(Cl)=C1 26754 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.2 COC1=CC=CC(F)=C1 30017 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.2 COC1=CC=CC(N)=N1 17159 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.2 COC1=CC=CC(O)=C1 00432 [1,0,0,0,0,0|1,0,0]=2 32 B9R1.2 COC1=CC=NC(Cl)=C1 26079 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.2 COC1=NC(Br)=CC=C1 27894 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.2 COC1=NC(Cl)=CC=C1 27020 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.2 COC1=NC=CC(C)=C1 28913 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.2 ClC1=CC(CBr)=CC=C1 14035 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.2 FC1=CC(CBr)=CC=C1 07254 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.2 N#CC1=CC=CC(N)=C1 27142 [1,0,0,0,0,0|1,0,2]=4 39 B9R1.2 NCC1=CC(I)=CC=C1 28182 [1,0,0,0,0,0|1,0,0]=2 40 B9R1.2 NCC1=CC=CC(I)=C1 27339 [1,0,0,0,0,0|1,0,0]=2 41 B9R1.2 O=CC1=CC(Br)=CC=C1 21244 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.2 O=CC1=CC(Cl)=CC=C1 31157 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.2 O=CC1=CC(F)=CC=C1 30014 [1,0,0,0,0,0|2,0,1]=4 44 B9R1.2 O=CC1=CC(O)=CC=C1 21925 [1,0,0,0,0,0|1,0,1]=3 45 B9R1.2 O=CC1=CC(O)=NC=C1 17656 [1,0,0,0,0,0|2,0,1]=4 46 B9R1.2 OCC1=CC(F)=CC=C1 31155 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.2 OCC1=NC(Br)=CC=C1 24708 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.8 CCCC1=CC=CC=C1 27219 [1,0,0,0,0,0|1,0,0]=2 49 B9R1.8 CCCC1=CC=CC=C1 29530 [1,0,0,0,0,0|1,0,0]=2 50 B9R1.8 CCOC1=CC=CC=C1 30856 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.8 CCOC1=NC=CC=C1 27481 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.8 CNCC1=CC=CC=C1 23236 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.8 CNCC1=CC=CN=C1 23300 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.8 CNCC1=CC=NC=C1 23632 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.8 CNCC1=NC=CC=C1 23554 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.8 COCC1=CC=CN=C1 29457 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.8 COCC1=CC=NC=C1 29392 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.8 COCC1=NC=CC=C1 27516 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.8 NCCC1=CC=CC=C1 21747 [1,0,0,0,0,0|0,0,0]=1 60 B9R1.8 NCCC1=NC=CN=C1 17453 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.8 NCCC1=NC=CN=C1 23818 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.8 NOCC1=CC=CC=C1 02279 [1,0,0,0,0,0|1,0,0]=2 63 B9R1.8 OCCC1=CC=CC=C1 01623 [1,0,0,0,0,0|1,0,0]=2 64 B9R1.8 ONCC1=CC=CC=C1 31261 [1,0,0,0,0,0|2,0,0]=3 65 B9R1.8 S=C=NC1=CC=CC=C1 24479 [1,0,0,0,0,0|2,0,1]=4 66 B11R1.13 CCNC1=C(Cl)C(Cl)=CC=C1 18230 [0,1,0,0,0,0|3,0,0]=4 67 B11R1.23 CCC(=O)C1=CC=CC(Cl)=C1 27232 [0,1,0,0,0,0|2,0,1]=4 68 B11R1.23 NCC(O)C1=CC=CC(O)=C1 32497 [0,1,0,0,0,0|0,0,0]=1 69 B11R1.23 O=C(CBr)C1=CC(O)=CC=C1 25032 [0,1,0,0,0,0|1,0,1]=3 70 B11R1.23 O=C(CBr)C1=CC=CC(Br)=C1 27875 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.23 O=C(CCl)C1=CC=CC(F)=C1 24427 [0,1,0,0,0,0|2,0,1]=4 72 B11R1.24 CCCCC1=NC(N)=CC=C1 24057 [0,1,0,0,0,0|3,0,0]=4 73 B11R1.24 CNCCC1=CC(C)=CC=C1 19438 [0,1,0,0,0,0|1,0,0]=2 74 B11R1.34 CCNC1=CC(Cl)=CC(Cl)=C1 18260 [0,1,0,0,0,0|3,0,0]=4 75 B11R1.157 CC(=O)NC1=CC=CC(O)=C1 30864 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.157 CC(C)NC1=CC(F)=CC=C1 17554 [0,1,0,0,0,0|3,0,0]=4 77 B11R1.157 CC1=CC=CC(NC(N)=S)=C1 24850 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.157 CN(C)CC1=CC(N)=CC=C1 20128 [0,1,0,0,0,0|3,0,0]=4 79 B11R1.157 NC(=O)CC1=CC(O)=CC=C1 28948 [0,1,0,0,0,0|0,0,1]=2 80 B11R1.157 NC1=CC(CC(=O)O)=CC=C1 28953 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.157 O=C(O)CC1=CC(I)=CC=C1 27657 [0,1,0,0,0,0|2,0,1]=4 82 B11R1.182 CCNC1=C(Cl)C=CC(Cl)=C1 18232 [0,1,0,0,0,0|3,0,0]=4 83 B11R1.189 CCOC1=CC=CC(C=O)=C1 27412 [0,1,0,0,0,0|2,0,1]=4 84 B11R1.189 COC1=CC=CC(CC#N)=C1 26793 [0,1,0,0,0,0|0,0,2]=3 85 B11R1.189 COC1=CC=CC(CCN)=C1 32493 [0,1,0,0,0,0|0,0,0]=1 86 B11R1.192 CCNC1=CC(Cl)=C(Cl)C=C1 18259 [0,1,0,0,0,0|3,0,0]=4 87 B11R1.192 NCCC1=CC=C(O)C(O)=C1 11757 [0,1,0,0,0,0|0,0,0]=1 88 B11R2.36 BrC1=CC2=C(C=C1)NC=C2 21843 [0,0,0,1,0,0|1,0,2]=4 89 B11R2.36 BrC1=CC2=C(C=C1)NCC2 17214 [0,0,0,1,0,0|1,0,0]=2 90 B11R2.36 BrC1=CC=C2CCNC2=C1 20490 [0,0,0,1,0,0|3,0,0]=4 91 B11R2.36 BrC1=CC=C2NN=CC2=C1 17213 [0,0,0,1,0,0|2,0,1]=4 92 B11R2.36 CC1=CC2=C(C=C1)NC=C2 21951 [0,0,0,1,0,0|1,0,2]=4 93 B11R2.36 CC1=CC2=C(C=C1)NCC2 19131 [0,0,0,1,0,0|1,0,0]=2 94 B11R2.36 CC1=CC=C2NN=CC2=C1 19130 [0,0,0,1,0,0|2,0,1]=4 95 B11R2.36 ClC1=CC2=C(C=C1)NC=C2 21871 [0,0,0,1,0,0|1,0,2]=4 96 B11R2.36 ClC1=CC2=C(C=C1)NN=N2 26964 [0,0,0,1,0,0|3,0,0]=4 97 B11R2.36 ClC1=CC=C2CCNC2=C1 20514 [0,0,0,1,0,0|3,0,0]=4 98 B11R2.36 ClC1=CC=C2NCCC2=C1 17280 [0,0,0,1,0,0|1,0,0]=2 99 B11R2.36 FC1=CC2=C(C=C1)CCN2 19213 [0,0,0,1,0,0|3,0,0]=4 100 B11R2.36 FC1=CC2=C(C=C1)NC=C2 01691 [0,0,0,1,0,0|1,0,2]=4 101 B11R2.36 FC1=CC2=C(C=C1)NN=C2 17282 [0,0,0,1,0,0|2,0,1]=4 102 B11R2.36 FC1=CC=C2NCCC2=C1 17283 [0,0,0,1,0,0|1,0,0]=2 103 B11R2.36 IC1=CC=C2CCNC2=C1 20539 [0,0,0,1,0,0|3,0,0]=4 104 B11R2.36 IC1=CC=C2NC=CC2=C1 21574 [0,0,0,1,0,0|1,0,2]=4 105 B11R2.36 NC1=CC2=C(C=C1)CCN2 21317 [0,0,0,1,0,0|3,0,0]=4 106 B11R2.36 NC1=CC2=C(C=C1)NC=C2 20909 [0,0,0,1,0,0|1,0,2]=4 107 B11R2.36 NC1=CC2=C(C=C1)NC=C2 21081 [0,0,0,1,0,0|1,0,2]=4 108 B11R2.36 NC1=CC2=C(C=C1)NC=C2 21897 [0,0,0,1,0,0|1,0,2]=4 109 B11R2.36 NC1=CC2=C(C=C1)NCC2 21080 [0,0,0,1,0,0|1,0,0]=2 110 B11R2.36 NC1=CC2=C(C=C1)NN=C2 29953 [0,0,0,1,0,0|2,0,1]=4 111 B11R2.36 OC1=CC2=C(C=C1)C=NN2 27473 [0,0,0,1,0,0|3,0,0]=4 112 B11R2.36 OC1=CC2=C(C=C1)N=CN2 26334 [0,0,0,1,0,0|1,0,2]=4 113 B11R2.36 OC1=CC2=C(C=C1)NC=C2 21844 [0,0,0,1,0,0|0,0,2]=3 114 B11R2.36 OC1=CC2=C(C=CN2)C=C1 21936 [0,0,0,1,0,0|2,0,1]=4 115 B11R2.106 BrC1=C2CCNC2=CC=C1 20239 [0,0,0,1,0,0|3,0,0]=4 116 B11R2.106 BrC1=C2NN=CC2=CC=C1 20581 [0,0,0,1,0,0|2,0,1]=4 117 B11R2.106 BrC1=CC=CC2=C1NC=C2 21929 [0,0,0,1,0,0|1,0,2]=4 118 B11R2.106 CC1=C2NCCC2=CC=C1 20604 [0,0,0,1,0,0|1,0,0]=2 119 B11R2.106 CC1=CC=CC2=C1NC=C2 21895 [0,0,0,1,0,0|1,0,2]=4 120 B11R2.106 ClC1=C2CCNC2=CC=C1 17702 [0,0,0,1,0,0|3,0,0]=4 121 B11R2.106 ClC1=CC=CC2=C1NC=C2 21814 [0,0,0,1,0,0|1,0,2]=4 122 B11R2.106 ClC1=CC=CC2=C1NN=C2 19251 [0,0,0,1,0,0|2,0,1]=4 123 B11R2.106 FC1=C2CCNC2=CC=C1 20288 [0,0,0,1,0,0|3,0,0]=4 124 B11R2.106 FC1=C2NN=CC2=CC=C1 24735 [0,0,0,1,0,0|2,0,1]=4 125 B11R2.106 FC1=CC=CC2=C1NC=C2 21547 [0,0,0,1,0,0|1,0,2]=4 126 B11R2.106 IC1=C2CCNC2=CC=C1 20297 [0,0,0,1,0,0|3,0,0]=4 127 B11R2.106 OC1=CC=CC2=C1C=CN2 21841 [0,0,0,1,0,0|2,0,1]=4 128 B11R2.106 OC1=CC=CC2=C1NC=C2 21568 [0,0,0,1,0,0|0,0,2]=3 129 B11R2.106 OC1=CC=CC2=C1NN=C2 19834 [0,0,0,1,0,0|1,0,1]=3 130 B9R1.33 CC1=C(CCN)SC=N1 26241 [0,0,0,0,1,0|3,0,0]=4 131 B8R1.2 BrCC1=CC=CC=C1 00332 [2,0,0,0,0,0|1,0,0]=3 132 B8R1.2 C#CC1=CC=CC=C1 24540 [2,0,0,0,0,0|0,0,2]=4 133 B8R1.2 CC[N+]1=CC=CC=C1 31419 [2,0,0,0,0,0|1,0,0]=3 134 B8R1.2 CNC1=CN=CC=C1 18208 [2,0,0,0,0,0|2,0,0]=4 135 B8R1.2 COC1=CC=CC=C1 02045 [2,0,0,0,0,0|1,0,0]=3 136 B8R1.2 COC1=CC=NC=C1 28387 [2,0,0,0,0,0|2,0,0]=4 137 B8R1.2 COC1=NC=CC=C1 27017 [2,0,0,0,0,0|2,0,0]=4 138 B8R1.2 ClCC1=CC=CN=C1 06928 [2,0,0,0,0,0|2,0,0]=4 139 B8R1.2 ClCC1=CC=NC=C1 06929 [2,0,0,0,0,0|2,0,0]=4 140 B8R1.2 ClCC1=NC=CC=C1 06927 [2,0,0,0,0,0|2,0,0]=4 141 B8R1.2 N#CC1=CC=CC=C1 27352 [2,0,0,0,0,0|0,0,2]=4 142 B8R1.2 NCC1=CC=CC=C1 29916 [2,0,0,0,0,0|0,0,0]=2 143 B8R1.2 NCC1=CC=CN=C1 27056 [2,0,0,0,0,0|1,0,0]=3 144 B8R1.2 NCC1=CC=NC=C1 27066 [2,0,0,0,0,0|1,0,0]=3 145 B8R1.2 NCC1=CC=NC=C1 28201 [2,0,0,0,0,0|1,0,0]=3 146 B8R1.2 NCC1=CN=CC=N1 23715 [2,0,0,0,0,0|2,0,0]=4 147 B8R1.2 NCC1=NC=CC=N1 18223 [2,0,0,0,0,0|2,0,0]=4 148 B8R1.2 NCC1=NC=CC=N1 23716 [2,0,0,0,0,0|2,0,0]=4 149 B8R1.2 NNC1=CC=CC=C1 02348 [2,0,0,0,0,0|1,0,0]=3 150 B8R1.2 OCC1=CC=CC=C1 00371 [2,0,0,0,0,0|1,0,0]=3 151 B8R1.2 OCC1=CC=CN=C1 27054 [2,0,0,0,0,0|2,0,0]=4 152 B8R1.2 OCC1=CC=NC=C1 12966 [2,0,0,0,0,0|2,0,0]=4 153 B8R1.4 BrC1=CC=CC(Br)=C1 26732 [2,0,0,0,0,0|2,0,0]=4 154 B8R1.4 CC1=CC(Br)=CC=N1 17038 [2,0,0,0,0,0|2,0,0]=4 155 B8R1.4 CC1=CC(Br)=NC=C1 27873 [2,0,0,0,0,0|2,0,0]=4 156 B8R1.4 CC1=CC(N)=CC=N1 28156 [2,0,0,0,0,0|2,0,0]=4 157 B8R1.4 CC1=CC(O)=CC=C1 03571 [2,0,0,0,0,0|0,0,0]=2 158 B8R1.4 CC1=CC(O)=CN=C1 28367 [2,0,0,0,0,0|1,0,0]=3 159 B8R1.4 CC1=CC=CC(=O)N1 28328 [2,0,0,0,0,0|1,0,1]=4 160 B8R1.4 CC1=CC=CC(Br)=N1 27580 [2,0,0,0,0,0|2,0,0]=4 161 B8R1.4 CC1=CC=CC(C)=N1 00800 [2,0,0,0,0,0|2,0,0]=4 162 B8R1.4 CC1=CC=CC(Cl)=N1 27011 [2,0,0,0,0,0|2,0,0]=4 163 B8R1.4 CC1=CC=CC(F)=C1 30020 [2,0,0,0,0,0|1,0,0]=3 164 B8R1.4 CC1=CC=CC(F)=N1 27601 [2,0,0,0,0,0|2,0,0]=4 165 B8R1.4 CC1=CC=CC(I)=C1 26769 [2,0,0,0,0,0|1,0,0]=3 166 B8R1.4 CC1=CC=CC(N)=N1 27037 [2,0,0,0,0,0|2,0,0]=4 167 B8R1.4 CC1=CC=C[N+]([O-])=C1 26993 [2,0,0,0,0,0|1,0,1]=4 168 B8R1.4 CC1=CC=NC(O)=C1 27954 [2,0,0,0,0,0|1,0,0]=3 169 B8R1.4 CC1=CN=CC(Br)=C1 17060 [2,0,0,0,0,0|2,0,0]=4 170 B8R1.4 CC1=CN=CC(C)=C1 27053 [2,0,0,0,0,0|2,0,0]=4 171 B8R1.4 CC1=CN=CC(Cl)=C1 28865 [2,0,0,0,0,0|2,0,0]=4 172 B8R1.4 CC1=CN=CC(F)=C1 17150 [2,0,0,0,0,0|2,0,0]=4 173 B8R1.4 CC1=CN=CC(N)=C1 17044 [2,0,0,0,0,0|2,0,0]=4 174 B8R1.4 CC1=CN=CC(N)=C1 29247 [2,0,0,0,0,0|2,0,0]=4 175 B8R1.4 CC1=NC=CC(Cl)=C1 27551 [2,0,0,0,0,0|2,0,0]=4 176 B8R1.4 ClC1=CC(Br)=CC=C1 30362 [2,0,0,0,0,0|2,0,0]=4 177 B8R1.4 NC1=CC(Br)=CC=C1 27143 [2,0,0,0,0,0|1,0,0]=3 178 B8R1.4 NC1=CC(Br)=CC=N1 17206 [2,0,0,0,0,0|2,0,0]=4 179 B8R1.4 NC1=CC(Cl)=NC=C1 16972 [2,0,0,0,0,0|2,0,0]=4 180 B8R1.4 NC1=CC(F)=NC=C1 17653 [2,0,0,0,0,0|2,0,0]=4 181 B8R1.4 NC1=CC(O)=CN=C1 19077 [2,0,0,0,0,0|1,0,0]=3 182 B8R1.4 NC1=CC=CC(Br)=N1 24610 [2,0,0,0,0,0|2,0,0]=4 183 B8R1.4 NC1=CC=CC(Cl)=N1 28256 [2,0,0,0,0,0|2,0,0]=4 184 B8R1.4 NC1=CC=CC(N)=C1 27147 [2,0,0,0,0,0|1,0,0]=3 185 B8R1.4 NC1=CC=CC(N)=N1 27036 [2,0,0,0,0,0|2,0,0]=4 186 B8R1.4 NC1=CC=NC(Br)=C1 28521 [2,0,0,0,0,0|2,0,0]=4 187 B8R1.4 NC1=CC=NC(O)=C1 18971 [2,0,0,0,0,0|1,0,0]=3 188 B8R1.4 NC1=CN=CC(Br)=C1 17002 [2,0,0,0,0,0|2,0,0]=4 189 B8R1.4 NC1=CN=CC(Cl)=C1 17737 [2,0,0,0,0,0|2,0,0]=4 190 B8R1.4 NC1=CN=CC(F)=C1 31748 [2,0,0,0,0,0|2,0,0]=4 191 B8R1.4 NC1=NC(F)=CC=C1 17512 [2,0,0,0,0,0|2,0,0]=4 192 B8R1.4 NC1=NC=CC(Cl)=C1 17039 [2,0,0,0,0,0|2,0,0]=4 193 B8R1.4 NC1=NC=CC(Cl)=C1 29410 [2,0,0,0,0,0|2,0,0]=4 194 B8R1.4 NC1=NC=CC(O)=C1 17441 [2,0,0,0,0,0|1,0,0]=3 195 B8R1.4 OC1=CC=CC(O)=C1 30180 [2,0,0,0,0,0|1,0,0]=3 196 B8R1.4 OC1=CC=NC(Cl)=C1 28524 [2,0,0,0,0,0|2,0,0]=4 197 B8R1.4 OC1=CN=CC(Br)=C1 28369 [2,0,0,0,0,0|2,0,0]=4 198 B8R1.4 OC1=NC(Cl)=CC=C1 28450 [2,0,0,0,0,0|2,0,0]=4 199 B10R1.2 CCC1=CC=CC(C)=C1O 28454 [1,1,0,0,0,0|1,0,0]=3 200 B10R1.2 COC1=CC=CC(C)=C1N 30844 [1,1,0,0,0,0|2,0,0]=4 201 B10R1.8 COC1=CC(Br)=CC(Br)=C1 32072 [1,1,0,0,0,0|2,0,0]=4 202 B10R1.8 FC1=CC(F)=CC(CBr)=C1 07256 [1,1,0,0,0,0|2,0,0]=4 203 B10R1.30 CC1=CC=C(N)C(CO)=C1 27828 [1,1,0,0,0,0|2,0,0]=4 204 B10R1.30 COC1=C(C)C=CC(I)=C1 28997 [1,1,0,0,0,0|2,0,0]=4 205 B10R1.30 COC1=C(O)C=CC(C)=C1 29782 [1,1,0,0,0,0|2,0,0]=4 206 B10R1.30 COC1=C(O)C=CC(C)=C1 29784 [1,1,0,0,0,0|2,0,0]=4 207 B10R1.30 COC1=CC(Br)=CC=C1Cl 21663 [1,1,0,0,0,0|2,0,0]=4 208 B10R1.30 COC1=CC(Cl)=CC=C1N 17703 [1,1,0,0,0,0|2,0,0]=4 209 B10R1.30 ClC1=CC(CBr)=C(Cl)C=C1 24689 [1,1,0,0,0,0|2,0,0]=4 210 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 26733 [1,1,0,0,0,0|1,0,1]=4 211 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 26755 [1,1,0,0,0,0|1,0,1]=4 212 B10R1.113 CC(=O)C1=CC=CC(F)=C1 26746 [1,1,0,0,0,0|1,0,1]=4 213 B10R1.113 CC(=O)C1=CC=CC(O)=C1 30369 [1,1,0,0,0,0|0,0,1]=3 214 B10R1.113 CC1=CC=CC(C(=N)N)=C1 17682 [1,1,0,0,0,0|1,0,1]=4 215 B10R1.113 CC1=CC=NC(C(C)N)=C1 18431 [1,1,0,0,0,0|2,0,0]=4 216 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 20111 [1,1,0,0,0,0|1,0,1]=4 217 B10R1.113 N=C(N)C1=CC=CC(Cl)=C1 18893 [1,1,0,0,0,0|1,0,1]=4 218 B10R1.113 N=C(N)C1=CC=CC(F)=C1 17461 [1,1,0,0,0,0|1,0,1]=4 219 B10R1.113 N=C(N)C1=CC=CC(F)=C1 18901 [1,1,0,0,0,0|1,0,1]=4 220 B10R1.113 N=C(N)C1=CC=CC(F)=C1 31282 [1,1,0,0,0,0|1,0,1]=4 221 B10R1.113 NC(=O)C1=CC(N)=CC=C1 31578 [1,1,0,0,0,0|1,0,1]=4 222 B10R1.113 NC(=O)C1=CC=CC(I)=C1 27982 [1,1,0,0,0,0|1,0,1]=4 223 B10R1.113 O=[N+]([O-])C1=CC(O)=CC=C1 21241 [1,1,0,0,0,0|2,0,0]=4 224 B10R1.172 CCC1=CC=CC(C#N)=C1 22425 [1,1,0,0,0,0|1,0,0]=3 225 B10R1.172 CCC1=CC=CC(CC)=N1 24049 [1,1,0,0,0,0|2,0,0]=4 226 B10R1.172 COC1=CC=CC(CBr)=C1 14049 [1,1,0,0,0,0|1,0,0]=3 227 B10R1.172 COC1=CC=CC(CCl)=C1 07251 [1,1,0,0,0,0|1,0,0]=3 228 B10R1.172 COC1=CC=CC(OC)=C1 31189 [1,1,0,0,0,0|1,0,0]=3 229 B10R1.172 COC1=CC=NC(OC)=C1 24194 [1,1,0,0,0,0|2,0,0]=4 230 B10R1.172 CSC1=CC=CC(C=O)=C1 26618 [1,1,0,0,0,0|1,0,1]=4 231 B10R1.172 OCC1=CC=CC(CO)=N1 24517 [1,1,0,0,0,0|2,0,0]=4 232 B10R1.176 CC1=C(Br)C=CC(CO)=C1 29912 [1,1,0,0,0,0|2,0,0]=4 233 B10R1.176 CC1=C(C)C=C(CN)C=C1 29260 [1,1,0,0,0,0|1,0,0]=3 234 B10R1.176 CC1=CC(NN)=CC=C1Br 17832 [1,1,0,0,0,0|2,0,0]=4 235 B10R1.176 CC1=CC=C(CO)C=C1N 27832 [1,1,0,0,0,0|2,0,0]=4 236 B10R1.176 CCC1=CN=C(C)C(Br)=C1 29458 [1,1,0,0,0,0|2,0,0]=4 237 B10R1.176 COC1=CC(Br)=C(O)C=C1 17182 [1,1,0,0,0,0|2,0,0]=4 238 B10R1.176 COC1=CC(N)=C(Cl)C=C1 27675 [1,1,0,0,0,0|2,0,0]=4 239 B10R1.176 COC1=CC(N)=C(O)C=C1 24931 [1,1,0,0,0,0|2,0,0]=4 240 B10R1.176 N#CC1=CC(O)=C(O)C=C1 27407 [1,1,0,0,0,0|0,0,2]=4 241 B10R1.176 NNC1=CC(F)=C(F)C=C1 17093 [1,1,0,0,0,0|2,0,0]=4 242 B10R1.176 O=CC1=CC(O)=C(I)C=C1 27912 [1,1,0,0,0,0|1,0,1]=4 243 B10R1.176 O=CC1=CC(O)=C(O)C=C1 21243 [1,1,0,0,0,0|1,0,1]=4 244 B10R1.1 CCCC1=CC=C(Br)C=C1 27327 [1,1,0,0,0,0|1,0,0]=3 245 B10R1.1 CCOC1=CC=C(Br)C=C1 30421 [1,1,0,0,0,0|2,0,0]=4 246 B10R1.1 NCCC1=CC=C(Br)C=C1 18380 [1,1,0,0,0,0|0,0,0]=2 247 B10R1.1 NCCC1=CC=C(N)C=C1 17000 [1,1,0,0,0,0|0,0,0]=2 248 B10R1.1 NCCC1=CC=C(O)C=C1 00831 [1,1,0,0,0,0|0,0,0]=2 249 B10R1.1 NCCC1=CC=C(O)C=C1 21913 [1,1,0,0,0,0|0,0,0]=2 250 B10R1.1 O=CCC1=CC=C(Cl)C=C1 17835 [1,1,0,0,0,0|1,0,1]=4 251 B10R1.1 O=CCC1=CC=C(F)C=C1 17837 [1,1,0,0,0,0|1,0,1]=4 252 B10R1.1 OCCC1=CC=C(Cl)C=C1 26850 [1,1,0,0,0,0|1,0,0]=3 253 B10R1.4 NCCC1=C(N)C=CC=C1 17930 [1,1,0,0,0,0|0,0,0]=2 254 B10R1.4 NOCC1=CC=CC=C1Cl 28477 [1,1,0,0,0,0|1,0,0]=3 255 B10R1.4 NOCC1=CC=CC=C1F 29333 [1,1,0,0,0,0|1,0,0]=3 256 B10R1.15 BrCC(Br)C1=CC=CC=C1 26738 [1,1,0,0,0,0|1,0,0]=3 257 B10R1.15 CCC(=O)C1=CC=CC=C1 27218 [1,1,0,0,0,0|1,0,1]=4 258 B10R1.15 CNC(C)C1=CC=CC=C1 28338 [1,1,0,0,0,0|2,0,0]=4 259 B10R1.15 NCC(O)C1=CC=CC=C1 22012 [1,1,0,0,0,0|0,0,0]=2 260 B10R1.15 NCC(O)C1=CC=CN=C1 17144 [1,1,0,0,0,0|1,0,0]=3 261 B10R1.15 NCC(O)C1=CC=CN=C1 23828 [1,1,0,0,0,0|1,0,0]=3 262 B10R1.15 NCC(O)C1=NC=CC=C1 23837 [1,1,0,0,0,0|1,0,0]=3 263 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 05373 [1,1,0,0,0,0|1,0,0]=3 264 B10R1.15 N[C@H](CO)C1=CC=CC=C1 05372 [1,1,0,0,0,0|1,0,0]=3 265 B10R1.15 O=C(CBr)C1=CC=CC=C1 01681 [1,1,0,0,0,0|1,0,1]=4 266 B10R1.15 O=C(CCl)C1=CC=CC=C1 12998 [1,1,0,0,0,0|1,0,1]=4 267 B10R1.15 OC[C@H](O)C1=CC=CC=C1 24591 [1,1,0,0,0,0|1,0,0]=3 268 B10R1.17 CCCCC1=CC=CC=C1 27221 [1,1,0,0,0,0|1,0,0]=3 269 B10R1.17 CCCC[N+]1=CC=CC=C1 31412 [1,1,0,0,0,0|2,0,0]=4 270 B10R1.17 CCCC[N+]1=CC=CC=C1 31413 [1,1,0,0,0,0|2,0,0]=4 271 B10R1.17 CNCCC1=CC=CC=C1 23237 [1,1,0,0,0,0|0,0,0]=2 272 B10R1.17 CNCCC1=CC=CN=C1 23587 [1,1,0,0,0,0|1,0,0]=3 273 B10R1.17 CNCCC1=CC=NC=C1 17201 [1,1,0,0,0,0|1,0,0]=3 274 B10R1.17 CNCCC1=NC=CC=C1 23232 [1,1,0,0,0,0|1,0,0]=3 275 B10R1.17 ClCC#CC1=CC=CC=C1 28941 [1,1,0,0,0,0|1,0,1]=4 276 B10R1.17 ClCOCC1=CC=CC=C1 00728 [1,1,0,0,0,0|1,0,0]=3 277 B10R1.17 OCC#CC1=CC=CC=C1 27592 [1,1,0,0,0,0|1,0,1]=4 278 B10R1.18 CC(N)CC1=CC=CN=C1 17923 [1,1,0,0,0,0|1,0,0]=3 279 B10R1.18 CC(N)CC1=CC=NC=C1 17924 [1,1,0,0,0,0|1,0,0]=3 280 B10R1.18 CC(N)CC1=CN=CC=N1 17922 [1,1,0,0,0,0|2,0,0]=4 281 B10R1.18 CC(N)CC1=NC=CC=C1 17610 [1,1,0,0,0,0|1,0,0]=3 282 B10R1.187 NCCN1C(=O)C=CC1=O 22987 [0,1,0,0,1,0|1,0,1]=4 283 B12R1.17 CNCC(O)C1=CC(O)=CC=C1 32506 [0,2,0,0,0,0|0,0,0]=2 284 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 32504 [0,2,0,0,0,0|0,0,0]=2 285 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 32505 [0,2,0,0,0,0|0,0,0]=2 286 B12R1.354 CCC(=O)C1=CC(O)=CC=C1O 25735 [0,2,0,0,0,0|1,0,1]=4 287 B12R1.358 NCC(O)C1=CC(Cl)=CC(Cl)=C1 23684 [0,2,0,0,0,0|1,0,0]=3 288 B12R1.367 CC1=CC=C(C(N)CO)C=C1C 29508 [0,2,0,0,0,0|2,0,0]=4 289 B12R1.367 NCC(O)C1=CC=C(Cl)C(Cl)=C1 23753 [0,2,0,0,0,0|1,0,0]=3 290 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 32442 [0,2,0,0,0,0|0,0,0]=2 291 B12R1.367 O=C(CCl)C1=CC(O)=C(O)C=C1 24120 [0,2,0,0,0,0|1,0,1]=4 292 B12R1.435 COC1=CC=CC(C(=O)CBr)=C1 30866 [0,2,0,0,0,0|1,0,1]=4 293 B12R1.435 COC1=CC=CC(C(=O)NN)=C1 27124 [0,2,0,0,0,0|1,0,1]=4 294 B12R1.438 COC1=CC=CC(NC(=N)N)=C1 20816 [0,2,0,0,0,0|1,0,1]=4 295 B12R1.438 COC1=CC=CC(NC(=N)N)=C1 20817 [0,2,0,0,0,0|1,0,1]=4 296 B12R1.279 NCCC1=CC([N+](=O)[O-])=CC=C1 18922 [0,2,0,0,0,0|0,0,1]=3 297 B12R1.286 COC1=CC(CCN)=CC=C1O 10603 [0,2,0,0,0,0|0,0,0]=2 298 B10R2.7 C1=CC2=C(C=C1)CC=C2 21927 [1,0,0,1,0,0|1,0,1]=4 299 B10R2.7 C1=CC2=C(C=C1)NC=C2 21854 [1,0,0,1,0,0|0,0,2]=4 300 B10R2.7 C1=CC2=C(C=C1)NC=N2 26958 [1,0,0,1,0,0|1,0,1]=4 301 B10R2.7 C1=CC2=C(C=C1)NN=N2 24501 [1,0,0,1,0,0|2,0,0]=4 302 B10R2.7 C1=CC2=C(CCC2)N=C1 26968 [1,0,0,1,0,0|2,0,0]=4 303 B10R2.7 C1=CC2=C(N=C1)NCC2 28977 [1,0,0,1,0,0|1,0,0]=3 304 B12R2.82 OC1=CC=C2NC=NC2=C1Cl 24065 [0,1,0,1,0,0|1,0,1]=4 305 B12R2.202 NC1=NC2=C(C=CC=C2O)S1 17244 [0,1,0,1,0,0|1,0,1]=4 306 B12R2.202 O=C1CC2=C(N1)C(F)=CC=C2 21289 [0,1,0,1,0,0|1,0,1]=4 307 B12R2.1081 ClC1=C2CNCCC2=CC=C1 20617 [0,1,0,1,0,0|1,0,0]=3 308 B12R2.1081 NC1=CC=CC2=C1OCCO2 26168 [0,1,0,1,0,0|2,0,0]=4 309 B12R2.132 NC1COC2=CC=C(F)C=C21 19116 [0,1,0,1,0,0|2,0,0]=4 310 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 18151 [0,1,0,1,0,0|2,0,0]=4 311 B12R2.24 BrC1=CC2=C(C=C1)OCCO2 24662 [0,1,0,1,0,0|2,0,0]=4 312 B12R2.24 CC1=CC=C2CCNCC2=C1 20603 [0,1,0,1,0,0|2,0,0]=4 313 B12R2.24 CC1=CC=C2CNCCC2=C1 20552 [0,1,0,1,0,0|1,0,0]=3 314 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 19248 [0,1,0,1,0,0|2,0,0]=4 315 B12R2.24 ClC1=CC=C2CNCCC2=C1 19194 [0,1,0,1,0,0|1,0,0]=3 316 B12R2.24 ClC1=CC=C2CNCCC2=C1 19195 [0,1,0,1,0,0|1,0,0]=3 317 B12R2.24 FC1=CC=C2CCNCC2=C1 19254 [0,1,0,1,0,0|2,0,0]=4 318 B12R2.24 FC1=CC=C2CNCCC2=C1 19208 [0,1,0,1,0,0|1,0,0]=3 319 B12R2.24 FC1=CC=C2CNCCC2=C1 19209 [0,1,0,1,0,0|1,0,0]=3 320 B12R2.24 NC1=CC2=C(C=C1)CCNC2 17886 [0,1,0,1,0,0|2,0,0]=4 321 B12R2.24 NC1=CC2=C(C=C1)CNCC2 19166 [0,1,0,1,0,0|1,0,0]=3 322 B12R2.24 NC1=CC2=C(C=C1)OCCO2 27084 [0,1,0,1,0,0|2,0,0]=4 323 B12R2.24 OC1=CC2=C(C=C1)CNCC2 17885 [0,1,0,1,0,0|0,0,0]=2 324 B12R2.612 CC1=CC2=C(C=C1)C(=O)CC2 30815 [0,1,0,1,0,0|2,0,0]=4 325 B12R2.612 CN1C=NC2=C1C=CC(O)=C2 23282 [0,1,0,1,0,0|1,0,1]=4 326 B12R2.612 O=C1CCC2=C1C=CC(Br)=C2 24606 [0,1,0,1,0,0|2,0,0]=4 327 B12R2.612 O=C1CCC2=C1C=CC(Cl)=C2 27603 [0,1,0,1,0,0|2,0,0]=4 328 B12R2.612 O=C1CCC2=C1C=CC(F)=C2 21251 [0,1,0,1,0,0|2,0,0]=4 329 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 26295 [0,1,0,1,0,0|2,0,0]=4 330 B12R2.612 O=C1COC2=C1C=CC(O)=C2 31269 [0,1,0,1,0,0|1,0,1]=4 331 B12R2.606 CC1=CC2=C(C=C1)NC(=O)C2 19127 [0,1,0,1,0,0|1,0,1]=4 332 B12R2.606 CC1=CC2=C(C=CC(O)=C2)N1 21286 [0,1,0,1,0,0|0,0,2]=4 333 B12R2.606 NC1=NC2=C(C=C(O)C=C2)S1 26121 [0,1,0,1,0,0|1,0,1]=4 334 B12R2.606 NC1=NC2=C(C=CC(O)=C2)S1 24059 [0,1,0,1,0,0|1,0,1]=4 335 B12R2.606 NC1CC2=C(C=C(Br)C=C2)C1 20386 [0,1,0,1,0,0|1,0,0]=3 336 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)N1 21830 [0,1,0,1,0,0|1,0,1]=4 337 B12R2.606 O=C1CC2=C(C=CC(Cl)=C2)N1 22003 [0,1,0,1,0,0|1,0,1]=4 338 B12R2.606 O=C1CC2=C(C=CC(F)=C2)N1 28613 [0,1,0,1,0,0|1,0,1]=4 339 B12R2.606 O=C1CC2=C(C=CC(O)=C2)N1 21800 [0,1,0,1,0,0|0,0,1]=3 340 B12R2.606 O=C1NC2=C(C=C(O)C=C2)O1 24712 [0,1,0,1,0,0|1,0,1]=4 341 B12R2.44 COC1=CC2=C(C=C1)NC=C2 01406 [0,1,0,1,0,0|0,0,2]=4 342 B12R2.44 COC1=CC2=C(C=C1)NCC2 18115 [0,1,0,1,0,0|0,0,0]=2 343 B12R2.44 COC1=CC=C2CCNC2=C1 19218 [0,1,0,1,0,0|2,0,0]=4 344 B12R2.44 COC1=CC=C2CNCC2=C1 20412 [0,1,0,1,0,0|2,0,0]=4 345 B12R2.44 N#CC1=CC=C2NCCC2=C1 20399 [0,1,0,1,0,0|1,0,0]=3 346 B12R2.44 O=CC1=CC2=C(C=C1)OCC2 17017 [0,1,0,1,0,0|1,0,1]=4 347 B12R2.44 OCC1=CC2=C(C=C1)NC=C2 26155 [0,1,0,1,0,0|0,0,2]=4 348 B12R2.44 OCC1=CC2=C(C=C1)NN=C2 26179 [0,1,0,1,0,0|1,0,1]=4 349 B12R2.315 COC1=C2CCNC2=CC=C1 20305 [0,1,0,1,0,0|2,0,0]=4 350 B12R2.315 COC1=C2CCNC2=CC=C1 29848 [0,1,0,1,0,0|2,0,0]=4 351 B12R2.315 COC1=C2NCCC2=CC=C1 20593 [0,1,0,1,0,0|0,0,0]=2 352 B12R2.315 COC1=CC=CC2=C1NC=C2 22066 [0,1,0,1,0,0|0,0,2]=4 353 B12R2.100 OC1=CC2=C(C=C1O)NC=C2 20987 [0,1,0,1,0,0|0,0,2]=4 354 B8R1.8 NCCC1=CNC=N1 00178 [1,0,0,0,1,0|2,0,0]=4 355 B8R1.8 NCCC1=CNC=N1 21888 [1,0,0,0,1,0|2,0,0]=4 356 B8R1.8 NCCC1=CNC=N1 32474 [1,0,0,0,1,0|2,0,0]=4 357 B8R1.8 NCCC1=CON=C1 18732 [1,0,0,0,1,0|2,0,0]=4 358 B8R1.8 NCCC1=CSC=C1 26286 [1,0,0,0,1,0|1,0,0]=3 359 B8R1.8 NCCC1=NC=CS1 18801 [1,0,0,0,1,0|2,0,0]=4 360 B8R1.8 NCCN1C=CN=C1 23546 [1,0,0,0,1,0|2,0,0]=4 361 B8R1.8 NCCN1C=CN=C1 23717 [1,0,0,0,1,0|2,0,0]=4