0 B8R1.18 BrC1=CC(Br)=C(Br)S1 001452 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.18 BrC1=NC(Br)=C(Br)N1 001253 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.18 CC1=C(Br)N=C(Br)S1 220719 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.18 CC1=C(C)NC(S)=N1 009935 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.18 CC1=C(C)SC(N)=N1 014135 [0,0,0,0,0,0|1,0,0]=1 5 B8R1.18 CC1=C(C)SC(N)=N1 209385 [0,0,0,0,0,0|1,0,0]=1 6 B8R1.18 CC1=C(C)SC(S)=N1 009921 [0,0,0,0,0,0|1,0,0]=1 7 B8R1.18 CC1=CC(=O)OC1=O 236869 [0,0,0,0,0,0|3,1,0]=4 8 B8R1.18 CC1=CC(C)=NN1C 019024 [0,0,0,0,0,0|2,0,0]=2 9 B8R1.18 CC1=CC(N)=NN1C 030210 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.18 CC1=NC(C)=C(Br)S1 067367 [0,0,0,0,0,0|1,0,0]=1 11 B8R1.18 CC1=NN(C)C(N)=C1 017422 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.18 CN1C=C(Br)C(Br)=N1 097623 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.18 CN1CC(=O)N=C1N 245770 [0,0,0,0,0,0|4,0,0]=4 14 B7R1.2 BrC1=CC=C(Br)S1 001056 [1,0,0,0,0,0|3,0,0]=4 15 B7R1.2 BrC1=CN=C(Br)S1 046206 [1,0,0,0,0,0|2,0,0]=3 16 B7R1.2 BrC1=CSC(Br)=N1 016251 [1,0,0,0,0,0|2,0,0]=3 17 B7R1.2 BrC1=NN=C(Br)S1 304375 [1,0,0,0,0,0|3,0,0]=4 18 B7R1.2 CC1=CC(Br)=CS1 022016 [1,0,0,0,0,0|2,0,0]=3 19 B7R1.2 CC1=CC(Br)=NN1 079115 [1,0,0,0,0,0|3,0,0]=4 20 B7R1.2 CC1=CC(C)=NN1 037857 [1,0,0,0,0,0|2,0,0]=3 21 B7R1.2 CC1=CC(C)=NO1 023218 [1,0,0,0,0,0|2,0,0]=3 22 B7R1.2 CC1=CC(N)=NN1 005985 [1,0,0,0,0,0|3,0,0]=4 23 B7R1.2 CC1=CC(N)=NO1 227902 [1,0,0,0,0,0|3,0,0]=4 24 B7R1.2 CC1=CC=C(Br)S1 024230 [1,0,0,0,0,0|2,0,0]=3 25 B7R1.2 CC1=CC=C(C)N1 236653 [1,0,0,0,0,0|1,0,1]=3 26 B7R1.2 CC1=CC=C(C)S1 002791 [1,0,0,0,0,0|1,0,0]=2 27 B7R1.2 CC1=CC=C(I)S1 002582 [1,0,0,0,0,0|2,0,0]=3 28 B7R1.2 CC1=CCC(=O)O1 098871 [1,0,0,0,0,0|2,1,0]=4 29 B7R1.2 CC1=CCC(=O)O1 107050 [1,0,0,0,0,0|2,1,0]=4 30 B7R1.2 CC1=CN=C(Br)S1 067363 [1,0,0,0,0,0|1,0,0]=2 31 B7R1.2 CC1=CN=C(N)S1 011366 [1,0,0,0,0,0|1,0,0]=2 32 B7R1.2 CC1=CNC(Br)=N1 222056 [1,0,0,0,0,0|2,0,0]=3 33 B7R1.2 CC1=CNC(C)=N1 078094 [1,0,0,0,0,0|1,0,0]=2 34 B7R1.2 CC1=COC(N)=N1 016110 [1,0,0,0,0,0|1,1,0]=3 35 B7R1.2 CC1=CSC(Br)=N1 016134 [1,0,0,0,0,0|1,0,0]=2 36 B7R1.2 CC1=CSC(C)=N1 002760 [1,0,0,0,0,0|0,0,0]=1 37 B7R1.2 CC1=CSC(N)=N1 023295 [1,0,0,0,0,0|1,0,0]=2 38 B7R1.2 CC1=NC(Br)=CN1 209279 [1,0,0,0,0,0|2,0,0]=3 39 B7R1.2 CC1=NC=C(I)N1 077607 [1,0,0,0,0,0|2,0,0]=3 40 B7R1.2 CC1=NN(C)C=C1 038245 [1,0,0,0,0,0|2,0,0]=3 41 B7R1.2 CC1=NN=C(Br)S1 024525 [1,0,0,0,0,0|2,0,0]=3 42 B7R1.2 CC1=NN=C(N)N1 009886 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.2 CC1=NN=C(N)O1 009900 [1,0,0,0,0,0|2,1,0]=4 44 B7R1.2 CC1=NN=C(N)S1 013407 [1,0,0,0,0,0|2,0,0]=3 45 B7R1.2 CC1=NN=C(S)S1 068973 [1,0,0,0,0,0|2,0,0]=3 46 B7R1.2 CC1=NNC(=O)C1 077205 [1,0,0,0,0,0|3,0,0]=4 47 B7R1.2 CC1=NNC(=S)S1 184250 [1,0,0,0,0,0|2,0,0]=3 48 B7R1.2 CC1=NNC(C)=N1 233300 [1,0,0,0,0,0|2,0,0]=3 49 B7R1.2 CC1=NSC(N)=C1 021671 [1,0,0,0,0,0|3,0,0]=4 50 B7R1.2 CC1=NSC(N)=N1 009666 [1,0,0,0,0,0|2,0,0]=3 51 B7R1.2 CN1C=C(Br)C=N1 033223 [1,0,0,0,0,0|3,0,0]=4 52 B7R1.2 CN1C=C(I)C=N1 067375 [1,0,0,0,0,0|3,0,0]=4 53 B7R1.2 CN1C=C(N)C=N1 030187 [1,0,0,0,0,0|3,0,0]=4 54 B7R1.2 CN1C=CC(Br)=N1 093190 [1,0,0,0,0,0|3,0,0]=4 55 B7R1.2 CN1C=CC(Cl)=N1 044766 [1,0,0,0,0,0|3,0,0]=4 56 B7R1.2 CN1C=CC(I)=N1 047530 [1,0,0,0,0,0|3,0,0]=4 57 B7R1.2 CN1C=CC(N)=N1 025069 [1,0,0,0,0,0|3,0,0]=4 58 B7R1.2 ClC1=CC=C(Cl)S1 002955 [1,0,0,0,0,0|3,0,0]=4 59 B7R1.2 ClC1=CN=C(Br)S1 077385 [1,0,0,0,0,0|2,0,0]=3 60 B7R1.2 ClC1=CSC(Cl)=N1 079363 [1,0,0,0,0,0|2,0,0]=3 61 B7R1.2 ClC1=NC(Br)=NS1 005949 [1,0,0,0,0,0|3,0,0]=4 62 B7R1.2 ClC1=NSC(Cl)=N1 005950 [1,0,0,0,0,0|3,0,0]=4 63 B7R1.2 NC1=CSC(N)=N1 223229 [1,0,0,0,0,0|2,0,0]=3 64 B7R1.2 NC1=NC(Br)=CS1 076229 [1,0,0,0,0,0|2,0,0]=3 65 B7R1.2 NC1=NC(O)=CS1 319245 [1,0,0,0,0,0|2,0,0]=3 66 B7R1.2 NC1=NC=C(Br)S1 013397 [1,0,0,0,0,0|2,0,0]=3 67 B7R1.2 NC1=NN=C(S)S1 094214 [1,0,0,0,0,0|3,0,0]=4 68 B7R1.2 SC1=NN=C(S)S1 366949 [1,0,0,0,0,0|3,0,0]=4 69 B7R1.4 BrC1=C(Br)SC=C1 024261 [1,0,0,0,0,0|3,0,0]=4 70 B7R1.4 CC1=C(Br)NC=N1 209278 [1,0,0,0,0,0|2,0,0]=3 71 B7R1.4 CC1=C(Br)SC=C1 013451 [1,0,0,0,0,0|2,0,0]=3 72 B7R1.4 CC1=C(C)SC=N1 002761 [1,0,0,0,0,0|0,0,0]=1 73 B7R1.4 CC1=C(Cl)SC=C1 024249 [1,0,0,0,0,0|2,0,0]=3 74 B7R1.4 CC1=CC=NN1C 026155 [1,0,0,0,0,0|2,0,0]=3 75 B7R1.4 CC1=CNN=C1O 312908 [1,0,0,0,0,0|3,0,0]=4 76 B7R1.4 CC1=NC=CN1C 093937 [1,0,0,0,0,0|2,0,0]=3 77 B7R1.4 CC1=NNC=C1Br 064560 [1,0,0,0,0,0|3,0,0]=4 78 B7R1.4 CC1=NNC=C1I 093372 [1,0,0,0,0,0|3,0,0]=4 79 B7R1.4 CN1C=CN=C1I 216361 [1,0,0,0,0,0|3,0,0]=4 80 B7R1.4 CN1N=CC=C1N 030129 [1,0,0,0,0,0|3,0,0]=4 81 B7R1.4 ClC1=C(Cl)NC=N1 208842 [1,0,0,0,0,0|3,0,0]=4 82 B7R1.4 ClC1=C(Cl)SC=C1 024868 [1,0,0,0,0,0|3,0,0]=4 83 B7R1.4 ClC1=C(Cl)S[S+]=N1 037235 [1,0,0,0,0,0|3,0,0]=4 84 B7R1.4 IC1=C(I)NC=N1 067398 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.22 CC1=C(CCl)OC(=O)O1 079667 [0,1,0,0,0,0|2,1,0]=4 86 B9R1.22 CC1=CC(C#N)=C(N)S1 021664 [0,1,0,0,0,0|2,0,1]=4 87 B9R1.22 CC1=CC(C)=C(C=O)N1 077848 [0,1,0,0,0,0|1,0,2]=4 88 B9R1.22 CC1=CC(C)=NN1CO 031637 [0,1,0,0,0,0|2,0,0]=3 89 B9R1.22 CC1=CC(CN)=C(C)O1 044303 [0,1,0,0,0,0|1,1,0]=3 90 B9R1.22 CC1=NN(C)C=C1C=O 014484 [0,1,0,0,0,0|2,0,1]=4 91 B9R1.22 CCN1N=C(C)C=C1N 030192 [0,1,0,0,0,0|3,0,0]=4 92 B9R1.22 CCN1N=C(C)CC1=O 180064 [0,1,0,0,0,0|3,0,0]=4 93 B9R1.22 CSC1=NC(N)=NN1C 043895 [0,1,0,0,0,0|3,0,0]=4 94 B9R1.23 CC1=C(C)SC(C=O)=C1 024276 [0,1,0,0,0,0|1,0,1]=3 95 B9R1.23 CC1=C(C)SC(C=O)=N1 215655 [0,1,0,0,0,0|0,0,1]=2 96 B9R1.23 CCC1=NC(C)=C(C)S1 009626 [0,1,0,0,0,0|0,0,0]=1 97 B9R1.23 CCN1C=C(Br)C(C)=N1 026156 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.37 CC1=NN(C)C(C)=C1Br 067376 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.34 CC1=CC(=O)C=C(C)O1 069041 [0,0,0,0,0,1|2,1,0]=4 100 B9R1.34 CC1=CC(=O)OC(C)=C1 045789 [0,0,0,0,0,1|2,1,0]=4 101 B9R1.34 CC1=CC(=S)OC(C)=C1 180125 [0,0,0,0,0,1|2,1,0]=4 102 B9R1.34 CC1=CC(Br)=CC(C)=N1 077942 [0,0,0,0,0,1|2,0,0]=3 103 B9R1.34 CC1=CC(Br)=NC(Br)=C1 078035 [0,0,0,0,0,1|3,0,0]=4 104 B9R1.34 CC1=CC(C)=CC(Br)=C1 008025 [0,0,0,0,0,1|3,0,0]=4 105 B9R1.34 CC1=CC(C)=CC(C)=C1 095021 [0,0,0,0,0,1|2,0,0]=3 106 B9R1.34 CC1=CC(C)=CC(Cl)=C1 018463 [0,0,0,0,0,1|3,0,0]=4 107 B9R1.34 CC1=CC(C)=CC(F)=C1 002576 [0,0,0,0,0,1|3,0,0]=4 108 B9R1.34 CC1=CC(C)=CC(I)=C1 002953 [0,0,0,0,0,1|3,0,0]=4 109 B9R1.34 CC1=CC(C)=CC(I)=C1 106112 [0,0,0,0,0,1|3,0,0]=4 110 B9R1.34 CC1=CC(C)=CC(N)=C1 095075 [0,0,0,0,0,1|3,0,0]=4 111 B9R1.34 CC1=CC(C)=CC(O)=C1 214771 [0,0,0,0,0,1|3,0,0]=4 112 B9R1.34 CC1=CC(C)=CC(S)=C1 001348 [0,0,0,0,0,1|3,0,0]=4 113 B9R1.34 CC1=CC(C)=NC(C)=C1 005102 [0,0,0,0,0,1|1,0,0]=2 114 B9R1.34 CC1=CC(C)=NC(C)=C1 102991 [0,0,0,0,0,1|1,0,0]=2 115 B9R1.34 CC1=CC(C)=NC(Cl)=N1 023423 [0,0,0,0,0,1|2,0,0]=3 116 B9R1.34 CC1=CC(C)=NC(N)=N1 036339 [0,0,0,0,0,1|2,0,0]=3 117 B9R1.34 CC1=CC(C)=NC(S)=N1 036395 [0,0,0,0,0,1|2,0,0]=3 118 B9R1.34 CC1=CC(C)=[O+]C(C)=C1 005450 [0,0,0,0,0,1|1,1,0]=3 119 B9R1.34 CC1=CC(Cl)=CC(Cl)=N1 047109 [0,0,0,0,0,1|3,0,0]=4 120 B9R1.34 CC1=CC(Cl)=CC(N)=N1 079721 [0,0,0,0,0,1|3,0,0]=4 121 B9R1.34 CC1=CC(Cl)=NC(C)=C1 037141 [0,0,0,0,0,1|2,0,0]=3 122 B9R1.34 CC1=CC(Cl)=NC(C)=N1 058303 [0,0,0,0,0,1|2,0,0]=3 123 B9R1.34 CC1=CC(Cl)=NC(Cl)=C1 075736 [0,0,0,0,0,1|3,0,0]=4 124 B9R1.34 CC1=CC(Cl)=NC(Cl)=N1 036406 [0,0,0,0,0,1|3,0,0]=4 125 B9R1.34 CC1=CC(Cl)=NC(N)=N1 036342 [0,0,0,0,0,1|3,0,0]=4 126 B9R1.34 CC1=CC(N)=NC(Br)=C1 093618 [0,0,0,0,0,1|3,0,0]=4 127 B9R1.34 CC1=CC(N)=NC(C)=C1 046704 [0,0,0,0,0,1|2,0,0]=3 128 B9R1.34 CC1=CC(N)=NC(C)=N1 233210 [0,0,0,0,0,1|2,0,0]=3 129 B9R1.34 CC1=CC(N)=NC(Cl)=C1 093619 [0,0,0,0,0,1|3,0,0]=4 130 B9R1.34 CC1=CC(O)=CC(C)=N1 011702 [0,0,0,0,0,1|2,0,0]=3 131 B9R1.34 CC1=CC(O)=CC(O)=N1 068449 [0,0,0,0,0,1|3,0,0]=4 132 B9R1.34 CC1=CC(O)=NC(C)=N1 222325 [0,0,0,0,0,1|2,0,0]=3 133 B9R1.34 CC1=CC(O)=NC(O)=N1 077360 [0,0,0,0,0,1|3,0,0]=4 134 B9R1.34 CC1=NC(Cl)=CC(Cl)=N1 036431 [0,0,0,0,0,1|3,0,0]=4 135 B9R1.34 CC1=NC(Cl)=CC(N)=N1 078280 [0,0,0,0,0,1|3,0,0]=4 136 B9R1.34 CC1=NC(N)=NC(N)=N1 238997 [0,0,0,0,0,1|3,0,0]=4 137 B9R1.34 CC1=NC(N)=NC(O)=C1 076960 [0,0,0,0,0,1|3,0,0]=4 138 B9R1.34 CC1=NC(O)=CC(O)=N1 036424 [0,0,0,0,0,1|3,0,0]=4 139 B9R1.69 CC1=C(Br)C=CC(Br)=N1 012710 [0,0,0,0,0,1|3,0,0]=4 140 B9R1.69 CC1=C(Br)C=CC(Cl)=N1 033110 [0,0,0,0,0,1|3,0,0]=4 141 B9R1.69 CC1=C(Br)C=NC(F)=C1 045050 [0,0,0,0,0,1|3,0,0]=4 142 B9R1.69 CC1=C(Br)C=NC(N)=C1 049682 [0,0,0,0,0,1|3,0,0]=4 143 B9R1.69 CC1=C(C)C=C(F)C=C1 002578 [0,0,0,0,0,1|3,0,0]=4 144 B9R1.69 CC1=C(C)C=C(I)C=C1 004948 [0,0,0,0,0,1|3,0,0]=4 145 B9R1.69 CC1=C(C)C=C(N)C=C1 038327 [0,0,0,0,0,1|3,0,0]=4 146 B9R1.69 CC1=C(C)C=C(O)C=C1 094083 [0,0,0,0,0,1|3,0,0]=4 147 B9R1.69 CC1=C(C)C=C(S)C=C1 001347 [0,0,0,0,0,1|3,0,0]=4 148 B9R1.69 CC1=C(C)N=C(N)C=C1 024688 [0,0,0,0,0,1|2,0,0]=3 149 B9R1.69 CC1=C(F)C=CC(Cl)=N1 033259 [0,0,0,0,0,1|3,0,0]=4 150 B9R1.69 CC1=C(O)N=CC(Br)=C1 035850 [0,0,0,0,0,1|3,0,0]=4 151 B9R1.69 CC1=CC(Br)=C(C)C=C1 019270 [0,0,0,0,0,1|3,0,0]=4 152 B9R1.69 CC1=CC(Br)=C(Cl)N=C1 043875 [0,0,0,0,0,1|3,0,0]=4 153 B9R1.69 CC1=CC(Br)=CN=C1Br 036398 [0,0,0,0,0,1|3,0,0]=4 154 B9R1.69 CC1=CC(Br)=CN=C1Cl 036246 [0,0,0,0,0,1|3,0,0]=4 155 B9R1.69 CC1=CC(Br)=CN=C1F 012711 [0,0,0,0,0,1|3,0,0]=4 156 B9R1.69 CC1=CC(Br)=CN=C1N 002494 [0,0,0,0,0,1|3,0,0]=4 157 B9R1.69 CC1=CC(Br)=NC=C1Br 067342 [0,0,0,0,0,1|3,0,0]=4 158 B9R1.69 CC1=CC(C)=C(I)C=C1 001771 [0,0,0,0,0,1|3,0,0]=4 159 B9R1.69 CC1=CC(C)=C(S)C=C1 001344 [0,0,0,0,0,1|3,0,0]=4 160 B9R1.69 CC1=CC(Cl)=CN=C1Cl 033107 [0,0,0,0,0,1|3,0,0]=4 161 B9R1.69 CC1=CC(Cl)=CN=C1N 033113 [0,0,0,0,0,1|3,0,0]=4 162 B9R1.69 CC1=CC(Cl)=NN=C1Cl 017102 [0,0,0,0,0,1|3,0,0]=4 163 B9R1.69 CC1=CC(F)=C(Cl)N=C1 033267 [0,0,0,0,0,1|3,0,0]=4 164 B9R1.69 CC1=CC(F)=CN=C1Cl 077349 [0,0,0,0,0,1|3,0,0]=4 165 B9R1.69 CC1=CC(F)=NC=C1N 036178 [0,0,0,0,0,1|3,0,0]=4 166 B9R1.69 CC1=CC(I)=C(C)C=C1 003509 [0,0,0,0,0,1|3,0,0]=4 167 B9R1.69 CC1=CC(I)=CN=C1N 033294 [0,0,0,0,0,1|3,0,0]=4 168 B9R1.69 CC1=CC(N)=C(C)C=C1 094616 [0,0,0,0,0,1|3,0,0]=4 169 B9R1.69 CC1=CC(N)=C(Cl)N=C1 033670 [0,0,0,0,0,1|3,0,0]=4 170 B9R1.69 CC1=CC(N)=NC=C1I 217491 [0,0,0,0,0,1|3,0,0]=4 171 B9R1.69 CC1=CC(S)=C(C)C=C1 001345 [0,0,0,0,0,1|3,0,0]=4 172 B9R1.69 CC1=CC=C(Br)C(C)=C1 018327 [0,0,0,0,0,1|3,0,0]=4 173 B9R1.69 CC1=CC=C(Br)C(Cl)=N1 036228 [0,0,0,0,0,1|3,0,0]=4 174 B9R1.69 CC1=CC=C(Br)C(F)=N1 077268 [0,0,0,0,0,1|3,0,0]=4 175 B9R1.69 CC1=CC=C(Br)C=C1C 018328 [0,0,0,0,0,1|3,0,0]=4 176 B9R1.69 CC1=CC=C(C)C(Cl)=C1 094429 [0,0,0,0,0,1|3,0,0]=4 177 B9R1.69 CC1=CC=C(Cl)N=C1Cl 079679 [0,0,0,0,0,1|3,0,0]=4 178 B9R1.69 CC1=CC=C(N)C(C)=C1 098336 [0,0,0,0,0,1|3,0,0]=4 179 B9R1.69 CC1=CC=C(N)C(C)=N1 079681 [0,0,0,0,0,1|2,0,0]=3 180 B9R1.69 CC1=CC=C(O)C(C)=C1 208699 [0,0,0,0,0,1|3,0,0]=4 181 B9R1.69 CC1=CC=C(O)C(C)=N1 208702 [0,0,0,0,0,1|2,0,0]=3 182 B9R1.69 CC1=CC=C(O)C(I)=N1 076967 [0,0,0,0,0,1|3,0,0]=4 183 B9R1.69 CC1=CN=C(Br)C(Br)=C1 033109 [0,0,0,0,0,1|3,0,0]=4 184 B9R1.69 CC1=CN=C(C)C(C)=C1 219272 [0,0,0,0,0,1|1,0,0]=2 185 B9R1.69 CC1=CN=C(C)N=C1O 189283 [0,0,0,0,0,1|2,0,0]=3 186 B9R1.69 CC1=CN=C(Cl)N=C1Cl 033156 [0,0,0,0,0,1|3,0,0]=4 187 B9R1.69 CC1=CN=C(F)C=C1I 036281 [0,0,0,0,0,1|3,0,0]=4 188 B9R1.69 CC1=CN=C(N)C(Br)=C1 002493 [0,0,0,0,0,1|3,0,0]=4 189 B9R1.69 CC1=CN=C(N)C(Cl)=C1 219357 [0,0,0,0,0,1|3,0,0]=4 190 B9R1.69 CC1=CNC(=O)N=C1N 222199 [0,0,0,0,0,1|3,0,0]=4 191 B9R1.69 CC1=NC(Br)=CC=C1F 033261 [0,0,0,0,0,1|3,0,0]=4 192 B9R1.69 CC1=NC(Br)=CC=C1N 040412 [0,0,0,0,0,1|3,0,0]=4 193 B9R1.69 CC1=NC(Cl)=CC=C1N 040121 [0,0,0,0,0,1|3,0,0]=4 194 B9R1.69 CC1=NC(F)=CC=C1Br 045232 [0,0,0,0,0,1|3,0,0]=4 195 B9R1.69 CC1=NC(N)=CC=C1Br 002495 [0,0,0,0,0,1|3,0,0]=4 196 B9R1.69 CC1=NC=C(N)C=C1Br 064785 [0,0,0,0,0,1|3,0,0]=4 197 B6R0.2 C=C(C)C=C(C)C 104537 [1,0,1,0,0,0|2,0,0]=4 198 B6R0.2 C=C(C)OC(C)=O 101993 [1,0,1,0,0,0|1,1,0]=4 199 B6R0.2 CC(=O)C=C(C)C 098815 [1,0,1,0,0,0|1,1,0]=4 200 B6R0.2 CC(C)=NC(C)C 022053 [1,0,1,0,0,0|1,0,1]=4 201 B6R0.3 CC(=O)\C(C)=N\O 099089 [1,0,1,0,0,0|1,1,0]=4 202 B6R0.3 C\C=C(/C)C(=O)O 099810 [1,0,1,0,0,0|1,1,0]=4 203 B6R1.2 BrC1=CC=CS1 001055 [2,0,0,0,0,0|2,0,0]=4 204 B6R1.2 BrC1=CNC=N1 047684 [2,0,0,0,0,0|2,0,0]=4 205 B6R1.2 BrC1=CSC=C1 003082 [2,0,0,0,0,0|2,0,0]=4 206 B6R1.2 BrC1=CSC=N1 016178 [2,0,0,0,0,0|1,0,0]=3 207 B6R1.2 BrC1=NC=CS1 021802 [2,0,0,0,0,0|1,0,0]=3 208 B6R1.2 BrC1=NN=CS1 046500 [2,0,0,0,0,0|2,0,0]=4 209 B6R1.2 CC1=CC=CN1 214609 [2,0,0,0,0,0|1,0,1]=4 210 B6R1.2 CC1=CC=CO1 463359 [2,0,0,0,0,0|1,1,0]=4 211 B6R1.2 CC1=CC=CS1 001209 [2,0,0,0,0,0|1,0,0]=3 212 B6R1.2 CC1=CNC=N1 078608 [2,0,0,0,0,0|1,0,0]=3 213 B6R1.2 CC1=CNN=C1 043307 [2,0,0,0,0,0|2,0,0]=4 214 B6R1.2 CC1=COC=N1 224056 [2,0,0,0,0,0|0,1,0]=3 215 B6R1.2 CC1=CSC=C1 003448 [2,0,0,0,0,0|1,0,0]=3 216 B6R1.2 CC1=CSC=N1 002765 [2,0,0,0,0,0|0,0,0]=2 217 B6R1.2 CC1=NC=CN1 157400 [2,0,0,0,0,0|1,0,0]=3 218 B6R1.2 CC1=NNC=C1 033183 [2,0,0,0,0,0|2,0,0]=4 219 B6R1.2 CN1C=CC=N1 046854 [2,0,0,0,0,0|2,0,0]=4 220 B6R1.2 CN1C=CN=C1 005002 [2,0,0,0,0,0|2,0,0]=4 221 B6R1.2 CN1C=CN=C1 245803 [2,0,0,0,0,0|2,0,0]=4 222 B6R1.2 CN1C=NC=N1 043664 [2,0,0,0,0,0|2,0,0]=4 223 B6R1.2 ClC1=CC=CS1 002954 [2,0,0,0,0,0|2,0,0]=4 224 B6R1.2 ClC1=CSC=C1 001747 [2,0,0,0,0,0|2,0,0]=4 225 B6R1.2 IC1=CC=CS1 001058 [2,0,0,0,0,0|2,0,0]=4 226 B6R1.2 IC1=CNC=N1 067394 [2,0,0,0,0,0|2,0,0]=4 227 B6R1.2 IC1=CSC=C1 079489 [2,0,0,0,0,0|2,0,0]=4 228 B6R1.2 NC1=CSC=C1 049735 [2,0,0,0,0,0|2,0,0]=4 229 B6R1.2 NC1=NC=CN1 013113 [2,0,0,0,0,0|2,0,0]=4 230 B6R1.2 NC1=NC=CN1 076511 [2,0,0,0,0,0|2,0,0]=4 231 B6R1.2 NC1=NC=CO1 043635 [2,0,0,0,0,0|1,1,0]=4 232 B6R1.2 NC1=NC=CS1 078568 [2,0,0,0,0,0|1,0,0]=3 233 B6R1.2 NC1=NC=NS1 013903 [2,0,0,0,0,0|2,0,0]=4 234 B6R1.2 NC1=NN=CS1 064997 [2,0,0,0,0,0|2,0,0]=4 235 B6R1.2 S=C1NC=CS1 180040 [2,0,0,0,0,0|1,0,1]=4 236 B6R1.2 SC1=CC=CS1 018767 [2,0,0,0,0,0|2,0,0]=4 237 B8R1.1 CC1=CC(CN)=NO1 094980 [1,1,0,0,0,0|2,0,0]=4 238 B8R1.1 CC1=CC(CN)=NO1 358781 [1,1,0,0,0,0|2,0,0]=4 239 B8R1.1 CC1=CC(CO)=NO1 017477 [1,1,0,0,0,0|2,0,0]=4 240 B8R1.1 CC1=CC=C(C=O)S1 045074 [1,1,0,0,0,0|1,0,1]=4 241 B8R1.1 CC1=CC=C(CN)O1 225706 [1,1,0,0,0,0|1,1,0]=4 242 B8R1.1 CC1=CC=C(CO)O1 013649 [1,1,0,0,0,0|1,1,0]=4 243 B8R1.1 CC1=CC=C(CO)S1 362444 [1,1,0,0,0,0|1,0,0]=3 244 B8R1.1 CC1=CSC(C#N)=C1 023897 [1,1,0,0,0,0|1,0,1]=4 245 B8R1.1 CC1=CSC(C=O)=N1 065270 [1,1,0,0,0,0|0,0,1]=3 246 B8R1.1 CC1=CSC(CN)=C1 023898 [1,1,0,0,0,0|1,0,0]=3 247 B8R1.1 CC1=NC(C#N)=CS1 017216 [1,1,0,0,0,0|0,0,1]=3 248 B8R1.1 CC1=NC(CCl)=CS1 016133 [1,1,0,0,0,0|0,0,0]=2 249 B8R1.1 CC1=NNC(CN)=C1 058640 [1,1,0,0,0,0|2,0,0]=4 250 B8R1.1 CC1=NOC(CCl)=N1 219873 [1,1,0,0,0,0|1,1,0]=4 251 B8R1.1 CCC1=NC=C(C)N1 403581 [1,1,0,0,0,0|1,0,0]=3 252 B8R1.1 CCC1=NSC(N)=N1 009733 [1,1,0,0,0,0|2,0,0]=4 253 B8R1.1 CN1C=C(CN)C=N1 030587 [1,1,0,0,0,0|2,0,0]=4 254 B8R1.1 CN1C=CC(CN)=N1 030355 [1,1,0,0,0,0|2,0,0]=4 255 B8R1.1 CNC1=NCC(C)S1 180081 [1,1,0,0,0,0|0,0,2]=4 256 B8R1.1 CNC1=NN=C(S)S1 026277 [1,1,0,0,0,0|2,0,0]=4 257 B8R1.1 COC1=NC(N)=NS1 009730 [1,1,0,0,0,0|2,0,0]=4 258 B8R1.1 COC1=NSC(N)=N1 009665 [1,1,0,0,0,0|2,0,0]=4 259 B8R1.1 CSC1=NC(Br)=NS1 024023 [1,1,0,0,0,0|2,0,0]=4 260 B8R1.1 CSC1=NC(Cl)=NS1 024022 [1,1,0,0,0,0|2,0,0]=4 261 B8R1.1 CSC1=NC(N)=NS1 009668 [1,1,0,0,0,0|2,0,0]=4 262 B8R1.1 CSC1=NC(O)=NS1 005951 [1,1,0,0,0,0|2,0,0]=4 263 B8R1.1 CSC1=NN=C(N)S1 013408 [1,1,0,0,0,0|2,0,0]=4 264 B8R1.1 CSC1=NN=C(S)S1 005495 [1,1,0,0,0,0|2,0,0]=4 265 B8R1.1 ClCC1=CN=C(Cl)S1 016115 [1,1,0,0,0,0|1,0,0]=3 266 B8R1.1 N#CC1=CN=C(N)S1 078801 [1,1,0,0,0,0|1,0,1]=4 267 B8R1.1 NC1=NC=C(C=O)S1 016150 [1,1,0,0,0,0|1,0,1]=4 268 B8R1.1 NCC1=CC(Br)=CS1 091824 [1,1,0,0,0,0|2,0,0]=4 269 B8R1.1 O=CC1=CN=C(Br)S1 016151 [1,1,0,0,0,0|1,0,1]=4 270 B8R1.1 O=CC1=CN=C(Cl)S1 093519 [1,1,0,0,0,0|1,0,1]=4 271 B8R1.1 O=CC1=CSC(Br)=N1 047696 [1,1,0,0,0,0|1,0,1]=4 272 B8R1.1 O=CC1=NC(Br)=CS1 016124 [1,1,0,0,0,0|1,0,1]=4 273 B8R1.1 OCC1=CN=C(Br)S1 079893 [1,1,0,0,0,0|1,0,0]=3 274 B8R1.50 CC1=NNC(C)=C1Br 017107 [1,1,0,0,0,0|2,0,0]=4 275 B8R1.50 CC1=NNC(C)=C1C 311762 [1,1,0,0,0,0|2,0,0]=4 276 B8R1.50 CC1=NNC(C)=C1Cl 026201 [1,1,0,0,0,0|2,0,0]=4 277 B8R1.50 CC1=NOC(C)=C1Br 017251 [1,1,0,0,0,0|2,0,0]=4 278 B8R1.50 CC1=NOC(C)=C1I 023250 [1,1,0,0,0,0|2,0,0]=4 279 B8R1.11 CC1=C(C=O)NC=N1 065296 [1,1,0,0,0,0|1,0,1]=4 280 B8R1.11 CC1=C(C=O)SC=C1 024308 [1,1,0,0,0,0|1,0,1]=4 281 B8R1.11 CC1=C(C=O)SC=N1 043360 [1,1,0,0,0,0|0,0,1]=3 282 B8R1.11 CC1=C(CO)NC=N1 077905 [1,1,0,0,0,0|1,0,0]=3 283 B8R1.11 CC1=C(CO)SC=N1 217920 [1,1,0,0,0,0|0,0,0]=2 284 B8R1.11 CN1C=CN=C1CN 041898 [1,1,0,0,0,0|2,0,0]=4 285 B8R1.11 CN1C=CN=C1CO 067732 [1,1,0,0,0,0|2,0,0]=4 286 B8R1.11 ClCC1=C(Cl)SN=N1 017314 [1,1,0,0,0,0|2,0,0]=4 287 B10R1.8 CC1=CC(C)=CC(CBr)=C1 003416 [0,1,0,0,0,1|2,0,0]=4 288 B10R1.8 CC1=CC(C)=CC(CN)=C1 008879 [0,1,0,0,0,1|2,0,0]=4 289 B10R1.8 COC1=CC(C)=CC(C)=C1 208837 [0,1,0,0,0,1|2,0,0]=4 290 B10R1.8 COC1=NC(N)=NC(C)=C1 049952 [0,1,0,0,0,1|2,0,0]=4 291 B10R1.8 COC1=NC(N)=NC(C)=N1 046154 [0,1,0,0,0,1|2,0,0]=4 292 B10R1.8 CSC1=CC(C)=CC(C)=C1 019340 [0,1,0,0,0,1|2,0,0]=4 293 B10R1.8 CSC1=NC(C)=CC(=O)N1 046352 [0,1,0,0,0,1|2,0,0]=4 294 B10R1.8 CSC1=NC(C)=NC(N)=N1 065005 [0,1,0,0,0,1|2,0,0]=4 295 B10R1.22 CC1=CC(C)=C(Br)C(C)=C1 092104 [0,1,0,0,0,1|2,0,0]=4 296 B10R1.22 CC1=CC(C)=C(Cl)C(C)=C1 018387 [0,1,0,0,0,1|2,0,0]=4 297 B10R1.22 CC1=CC(C)=C(I)C(C)=C1 148300 [0,1,0,0,0,1|2,0,0]=4 298 B10R1.22 CC1=CC(C)=C(N)C(C)=C1 236741 [0,1,0,0,0,1|2,0,0]=4 299 B10R1.22 CC1=CC(C)=C(O)C(C)=C1 384938 [0,1,0,0,0,1|2,0,0]=4 300 B10R1.22 CC1=CC(C)=[N+](F)C(C)=C1 006456 [0,1,0,0,0,1|1,0,1]=4 301 B10R1.22 CC1=CC(N)=NC(C)=C1Br 221732 [0,1,0,0,0,1|2,0,0]=4 302 B10R1.22 CC1=NC(N)=NC(C)=C1Br 067414 [0,1,0,0,0,1|2,0,0]=4 303 B10R1.25 CC1=CC=C(CN)C(C)=C1 018614 [0,1,0,0,0,1|2,0,0]=4 304 B10R1.25 CCC1=C(C)C=C(C)C=N1 450509 [0,1,0,0,0,1|1,0,0]=3 305 B10R1.25 CCC1=C(N)N=C(C)C=C1 430516 [0,1,0,0,0,1|2,0,0]=4 306 B10R1.25 COC1=NC=C(Br)C=C1C 067300 [0,1,0,0,0,1|2,0,0]=4 307 B10R1.25 CSC1=C(C)C=C(C)C=C1 019336 [0,1,0,0,0,1|2,0,0]=4 308 B10R1.30 CC1=CC=C(C)C(CN)=C1 018615 [0,1,0,0,0,1|2,0,0]=4 309 B10R1.30 CSC1=C(C)C=CC(C)=C1 019337 [0,1,0,0,0,1|2,0,0]=4 310 B10R1.118 CC1=CC(C)=C(C)C=C1Br 210362 [0,1,0,0,0,1|2,0,0]=4 311 B10R1.118 CC1=CC(C)=C(C)C=C1C 448616 [0,1,0,0,0,1|2,0,0]=4 312 B10R1.118 CC1=NC(C)=C(C)N=C1C 078918 [0,1,0,0,0,1|1,0,0]=3 313 B10R1.118 Cc1nc(C)c(C)nc1C 196124 [0,1,0,0,0,1|1,0,0]=3 314 B10R1.119 CC1=C(C)C(C)=C(C)C=C1 462849 [0,1,0,0,0,1|2,0,0]=4 315 B10R1.119 CC1=C(C)C(O)=C(C)C=C1 224603 [0,1,0,0,0,1|2,0,0]=4 316 B10R1.176 CC1=CC=C(CCl)C=C1C 018620 [0,1,0,0,0,1|2,0,0]=4 317 B10R1.176 CC1=CC=C(CN)C=C1C 018617 [0,1,0,0,0,1|2,0,0]=4 318 B10R1.176 CC1=CC=C(CO)C=C1C 237644 [0,1,0,0,0,1|2,0,0]=4 319 B10R1.176 COC1=CC(C)=C(C)C=C1 049843 [0,1,0,0,0,1|2,0,0]=4 320 B10R1.176 COC1=NC(C)=C(Br)C=C1 036180 [0,1,0,0,0,1|2,0,0]=4 321 B10R1.176 COC1=NC=C(N)C(C)=C1 036182 [0,1,0,0,0,1|2,0,0]=4 322 B10R1.176 CSC1=CC(C)=C(C)C=C1 019339 [0,1,0,0,0,1|2,0,0]=4 323 B10R1.34 CCN1N=C(C)C(N)=C1C 030929 [0,2,0,0,0,0|2,0,0]=4 324 B10R1.59 CC(=O)C1=C(C)N=C(C)O1 023608 [0,2,0,0,0,0|0,1,0]=3 325 B10R1.59 CC(=O)C1=C(C)N=C(N)S1 011078 [0,2,0,0,0,0|1,0,0]=3 326 B10R1.59 CC(=O)C1=C(C)OC(C)=C1 240370 [0,2,0,0,0,0|1,1,0]=4 327 B10R1.59 CC(=O)C1=C(C)SC(C)=C1 002781 [0,2,0,0,0,0|1,0,0]=3 328 B10R1.59 CC1=NC(C(=O)O)=C(C)O1 066205 [0,2,0,0,0,0|0,1,1]=4 329 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 017412 [0,2,0,0,0,0|0,0,1]=3 330 B10R1.130 CC1=CC(C)=NN1CCO 449186 [0,2,0,0,0,0|2,0,0]=4 331 B10R1.256 CC1=NN(C)C(C)=C1C=O 025163 [0,2,0,0,0,0|2,0,0]=4 332 B10R1.58 CC1=C(C)SC(C(C)C)=N1 009625 [0,2,0,0,0,0|0,0,0]=2 333 B8R1.4 CC1=CC(C)=NC=C1 242811 [0,0,1,1,0,0|1,0,1]=4 334 B8R1.4 CC1=CC=CC(C)=N1 092726 [0,0,1,1,0,0|1,0,1]=4 335 B8R1.4 CC1=CC=CC(C)=N1 104293 [0,0,1,1,0,0|1,0,1]=4 336 B8R1.4 CC1=CN=CC(C)=N1 002730 [0,0,1,1,0,0|2,0,0]=4 337 B8R1.4 CC1=NC(S)=NC=C1 068730 [0,0,1,1,0,0|1,0,1]=4 338 B8R1.5 CC1=CC=CN=C1C 477008 [0,0,1,1,0,0|1,0,1]=4 339 B8R1.5 CC1=NC=CN=C1C 009615 [0,0,1,1,0,0|1,0,1]=4 340 B10R2.2 NC1=NC2=C(CCC2)S1 009936 [0,1,0,1,0,0|1,0,0]=3 341 B8R1.3 CC1=CC=C(C)C=C1 098352 [1,0,0,0,0,1|2,0,0]=4 342 B8R1.3 CC1=CC=C(Cl)N=C1 049167 [1,0,0,0,0,1|2,0,0]=4 343 B8R1.3 CC1=CC=C(Cl)N=N1 067463 [1,0,0,0,0,1|2,0,0]=4 344 B8R1.3 CC1=CC=C(F)C=N1 035867 [1,0,0,0,0,1|2,0,0]=4 345 B8R1.3 CC1=CC=C(N)C=N1 012721 [1,0,0,0,0,1|2,0,0]=4 346 B8R1.3 CC1=CN=C(Br)C=C1 024508 [1,0,0,0,0,1|2,0,0]=4 347 B8R1.3 CC1=CN=C(C)C=N1 002729 [1,0,0,0,0,1|1,0,0]=3 348 B8R1.3 CC1=CN=C(Cl)N=C1 076041 [1,0,0,0,0,1|2,0,0]=4 349 B8R1.3 CC1=CN=C(F)C=C1 008920 [1,0,0,0,0,1|2,0,0]=4 350 B8R1.3 CC1=CN=C(N)C=C1 003527 [1,0,0,0,0,1|2,0,0]=4 351 B8R1.3 CC1=CN=C(N)C=N1 064501 [1,0,0,0,0,1|2,0,0]=4 352 B8R1.3 CC1=CN=C(O)C=C1 037381 [1,0,0,0,0,1|2,0,0]=4 353 B8R1.3 CC1=NC=C(Br)C=C1 033262 [1,0,0,0,0,1|2,0,0]=4 354 B8R1.3 CC1=NC=C(Br)C=N1 076444 [1,0,0,0,0,1|2,0,0]=4 355 B8R1.3 CC1=NC=C(Cl)C=C1 221445 [1,0,0,0,0,1|2,0,0]=4 356 B8R1.3 CC1=NC=C(O)C=C1 076959 [1,0,0,0,0,1|2,0,0]=4 357 B8R1.3 CC1=NNC(=O)C=C1 077719 [1,0,0,0,0,1|2,0,0]=4