0 B10R1.172 BrCC1=CC(CBr)=CC=C1 PI-32198 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.172 BrCc1cccc(C=O)c1 PI-26927 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.172 C1=CC(=CC(=C1)C#N)C#N PI-48850 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.172 C1=CC(=CC(=C1)C#N)C=O PI-24269 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.172 C1=CC(=CC(=C1)C#N)CBr PI-11546 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.172 C1=CC(=CC(=C1)C#N)CO PI-46956 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.172 C1=CC(=CC(=C1)CO)CO PI-11678 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.172 C1=CC(=CC(=C1)NN)C#N PI-44884 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.172 C1=CC(=CC(=C1)NN)C#N PI-44909 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.172 C1=CC(=CC(=C1)NN)C#N PI-50325 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.172 C=Cc1cccc(c1)C=O PI-27316 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.172 CCC1=CC(=CC=C1)C#N PI-22051 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.172 CCC1=NC=CC(=C1)C#N PI-44125 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.172 CNC1=NC(=CC=C1)OC PI-11646 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.172 COC1=CC(=CC=C1)OC PI-35273 [0,0,0,0,0,0|0,0,0]=0 15 B10R1.172 COC1=CC(=NC=C1)CN PI-50083 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.172 COC1=CC(=NC=C1)OC PI-26237 [0,0,0,0,0,0|1,0,0]=1 17 B10R1.172 COC1=CC(=NC=N1)OC PI-21332 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.172 COC1=CC=CC(=C1)C#N PI-31072 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.172 COC1=CC=CC(=C1)CBr PI-49400 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.172 COC1=CC=CC(=C1)CN PI-31714 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.172 COC1=CC=CC(=C1)NN PI-29546 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.172 COC1=NC(=CC=C1)OC PI-34404 [0,0,0,0,0,0|1,0,0]=1 23 B10R1.172 COC1=NC(=NC=C1)OC PI-21327 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.172 COc1cccc(c1)C=O PI-32570 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.172 COc1cccc(n1)C=O PI-26723 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.172 COc1nccc(c1)CO PI-39370 [0,0,0,0,0,0|3,0,0]=3 27 B10R1.172 ClCc1cccc(c1)OC PI-32021 [0,0,0,0,0,0|2,0,0]=2 28 B10R1.172 N#CC1=NC(OC)=CC=C1 PI-46677 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.172 N#CC1=NC=CC(OC)=C1 PI-46678 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.172 O=CC1=CC(OC)=CN=C1 PI-37016 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.172 O=Cc1cccc(c1)C=O PI-16456 [0,0,0,0,0,0|4,0,0]=4 32 B10R1.172 O=Cc1cccc(c1)C=O PI-18771 [0,0,0,0,0,0|4,0,0]=4 33 B10R1.172 OCc1cccc(CBr)c1 PI-22137 [0,0,0,0,0,0|4,0,0]=4 34 B10R1.172 OCc1cccc(c1)OC PI-31272 [0,0,0,0,0,0|2,0,0]=2 35 B9R1.2 BrCc1cccc(I)c1 PI-29628 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.2 BrCc1cccc(c1)Br PI-13393 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.2 BrCc1cccc(c1)Cl PI-23167 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.2 C#CC1=CC(=CC=C1)Br PI-30913 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.2 C#CC1=CC(=CC=C1)Cl PI-30914 [1,0,0,0,0,0|2,0,1]=4 40 B9R1.2 C#CC1=CC(=CC=C1)F PI-30388 [1,0,0,0,0,0|2,0,1]=4 41 B9R1.2 C#Cc1cccc(N)c1 PI-10850 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.2 C1=CC(=CC(=C1)Br)C#N PI-30857 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.2 C1=CC(=CC(=C1)Br)CCl PI-35258 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.2 C1=CC(=CC(=C1)Br)CO PI-10954 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.2 C1=CC(=CC(=C1)Cl)CCl PI-34222 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.2 C1=CC(=CC(=C1)Cl)NN PI-29369 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.2 C1=CC(=CC(=C1)F)CBr PI-13389 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.2 C1=CC(=CC(=C1)F)CCl PI-34129 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.2 C1=CC(=CC(=C1)F)CO PI-16873 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.2 C1=CC(=CC(=C1)F)NN PI-29439 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.2 C1=CC(=CC(=C1)I)C=O PI-27854 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.2 C1=CC(=CC(=C1)N)C=O PI-27126 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.2 C1=CC(=CC(=C1)O)C#N PI-35245 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.2 C1=CC(=CC(=C1)O)CBr PI-43991 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.2 C1=CC(=CC(=C1)O)CO PI-11929 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.2 C=CC1=CC(=CC=C1)Br PI-22598 [1,0,0,0,0,0|2,0,1]=4 57 B9R1.2 C=Cc1cccc(c1)C PI-40767 [1,0,0,0,0,0|1,0,1]=3 58 B9R1.2 CC1=CC(=CC=C1)C=O PI-11938 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.2 CC1=CC(=CC=C1)CN PI-35861 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.2 CC1=CC(=CN=C1)C=O PI-43924 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.2 CC1=CC(=NC=C1)C#N PI-11834 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.2 CC1=CC=CC(=N1)C#N PI-44998 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.2 CC1=NC(=CC=C1)C=C PI-27081 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.2 CC1=NC(=CC=C1)C=O PI-16691 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.2 CC1=NC(=CC=C1)NN PI-36907 [1,0,0,0,0,0|3,0,0]=4 66 B9R1.2 CC1=NC(=CC=C1)OC PI-10858 [1,0,0,0,0,0|1,0,0]=2 67 B9R1.2 CC1=NC=CC(=N1)OC PI-44930 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.2 CCC1=CC(=CC=C1)Br PI-21410 [1,0,0,0,0,0|2,0,0]=3 69 B9R1.2 CCC1=CC(=NC=C1)Br PI-24478 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.2 CCc1cccc(N)n1 PI-30318 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.2 CCc1ccnc(c1)N PI-30483 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.2 CNc1cccc(c1)F PI-29299 [1,0,0,0,0,0|2,0,0]=3 73 B9R1.2 COC1=CC(=CC=C1)Br PI-12683 [1,0,0,0,0,0|1,0,0]=2 74 B9R1.2 COC1=CC(=CC=C1)S PI-13025 [1,0,0,0,0,0|0,1,0]=2 75 B9R1.2 COC1=CC(=NC=C1)Cl PI-27253 [1,0,0,0,0,0|2,0,0]=3 76 B9R1.2 COC1=CC(=NC=C1)N PI-31930 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.2 COC1=CC(=NC=N1)Cl PI-16342 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.2 COC1=CC(=O)NC=C1 PI-47311 [1,0,0,0,0,0|1,0,1]=3 79 B9R1.2 COC1=CC(Cl)=CC=C1 PI-31362 [1,0,0,0,0,0|1,0,0]=2 80 B9R1.2 COC1=CC(F)=CC=C1 PI-12220 [1,0,0,0,0,0|1,0,0]=2 81 B9R1.2 COC1=NC(=CC=C1)Br PI-34471 [1,0,0,0,0,0|2,0,0]=3 82 B9R1.2 COC1=NC(=NC=C1)Br PI-45082 [1,0,0,0,0,0|3,0,0]=4 83 B9R1.2 COC1=NC(=NC=C1)Cl PI-45081 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.2 COC1=NC=CC(=C1)I PI-36520 [1,0,0,0,0,0|2,0,0]=3 85 B9R1.2 COC1=NC=CC(Br)=N1 PI-46750 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.2 COC1=NC=NC(=C1)N PI-11959 [1,0,0,0,0,0|3,0,0]=4 87 B9R1.2 COc1cc(Br)cnc1 PI-38259 [1,0,0,0,0,0|2,0,0]=3 88 B9R1.2 COc1cc(Cl)ccn1 PI-26867 [1,0,0,0,0,0|2,0,0]=3 89 B9R1.2 COc1cc(N)ccn1 PI-26277 [1,0,0,0,0,0|2,0,0]=3 90 B9R1.2 COc1cc(N)cnc1 PI-33855 [1,0,0,0,0,0|2,0,0]=3 91 B9R1.2 COc1cccc(c1)O PI-34658 [1,0,0,0,0,0|0,0,0]=1 92 B9R1.2 COc1ccnc(I)n1 PI-36437 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.2 CSC1=CC(=CC=C1)Br PI-11915 [1,0,0,0,0,0|1,1,0]=3 94 B9R1.2 CSC1=CC(=CC=C1)Cl PI-20243 [1,0,0,0,0,0|1,1,0]=3 95 B9R1.2 CSc1cccc(c1)N PI-11908 [1,0,0,0,0,0|1,1,0]=3 96 B9R1.2 Clc1cccc(c1)C#N PI-31301 [1,0,0,0,0,0|3,0,0]=4 97 B9R1.2 N#Cc1cccc(F)c1 PI-16864 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.2 N#Cc1cccc(c1)I PI-10114 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.2 N#Cc1ccnc(O)c1 PI-20781 [1,0,0,0,0,0|3,0,0]=4 100 B9R1.2 NCc1cccc(Cl)c1 PI-15673 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.2 NCc1cccc(c1)Br PI-21372 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.2 NCc1cccc(c1)Br PI-38545 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.2 NCc1cccc(c1)F PI-23480 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.2 NNc1cccc(c1)Br PI-29422 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.2 NNc1cccc(c1)C PI-29814 [1,0,0,0,0,0|2,0,0]=3 106 B9R1.2 O=Cc1cccc(c1)Br PI-34503 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.2 O=Cc1cccc(c1)Cl PI-27742 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.2 O=Cc1cccc(c1)F PI-11925 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.2 O=Cc1cccc(c1)N PI-11906 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.2 O=Cc1cccc(c1)O PI-34273 [1,0,0,0,0,0|2,0,0]=3 111 B9R1.2 OCC1=CC(C)=NC=C1 PI-36994 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.2 OCc1cccc(c1)C PI-38620 [1,0,0,0,0,0|2,0,0]=3 113 B9R1.2 OCc1cccc(c1)Cl PI-11919 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.2 SCc1cccc(F)c1 PI-23495 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.2 [C-]#[N+]C1=CC(=CC=C1)Br PI-22496 [1,0,0,0,0,0|2,0,1]=4 116 B11R1.9 CC1=CC(=CC(=C1)OC)OC PI-23360 [0,1,0,0,0,0|0,0,0]=1 117 B11R1.9 CC1=NC(=CC(=N1)OC)OC PI-15335 [0,1,0,0,0,0|2,0,0]=3 118 B11R1.9 CCC1=CC(=CC(=N1)CC)Br PI-35011 [0,1,0,0,0,0|3,0,0]=4 119 B11R1.9 CCc1cc(CC)cc(c1)Br PI-19973 [0,1,0,0,0,0|2,0,0]=3 120 B11R1.9 COC1=CC(=CC(=C1)C#N)F PI-10705 [0,1,0,0,0,0|2,0,0]=3 121 B11R1.9 COC1=CC(=CC(=C1)Cl)OC PI-34241 [0,1,0,0,0,0|0,0,0]=1 122 B11R1.9 COC1=CC(=CC(=C1)N)OC PI-24022 [0,1,0,0,0,0|0,0,0]=1 123 B11R1.9 COC1=CC(=NC(=C1)OC)N PI-16746 [0,1,0,0,0,0|1,0,0]=2 124 B11R1.9 COC1=CC(=NC(=N1)N)OC PI-31167 [0,1,0,0,0,0|2,0,0]=3 125 B11R1.9 COC1=CC(=NC(=N1)OC)Cl PI-17230 [0,1,0,0,0,0|2,0,0]=3 126 B11R1.9 COC1=CC(=NC(=S)N1)OC PI-32527 [0,1,0,0,0,0|2,0,0]=3 127 B11R1.9 COC1=CC(C=O)=CC(C)=C1 PI-42609 [0,1,0,0,0,0|2,0,0]=3 128 B11R1.9 COC1=NC(=NC(=C1)N)OC PI-16820 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.9 COC1=NC(=NC(=N1)Cl)OC PI-12325 [0,1,0,0,0,0|3,0,0]=4 130 B11R1.9 COC1=NC(=NC(=N1)N)OC PI-14081 [0,1,0,0,0,0|3,0,0]=4 131 B11R1.9 COc1cc(C=O)cc(c1)F PI-34291 [0,1,0,0,0,0|2,0,0]=3 132 B11R1.9 COc1cc(OC)cc(c1)I PI-38256 [0,1,0,0,0,0|0,0,0]=1 133 B11R1.9 COc1cc(OC)cc(c1)O PI-27638 [0,1,0,0,0,0|0,0,0]=1 134 B11R1.9 COc1cc(OC)nc(n1)Cl PI-11817 [0,1,0,0,0,0|2,0,0]=3 135 B11R1.189 CCCC1=CC(=CC=C1)NN PI-29461 [0,1,0,0,0,0|3,0,0]=4 136 B11R1.189 CCOC1=CC=CC(=C1)C=O PI-27357 [0,1,0,0,0,0|2,0,0]=3 137 B11R1.189 COC1=CC=CC(=C1)N=C=O PI-11427 [0,1,0,0,0,0|1,0,1]=3 138 B11R1.189 COC1=CC=CC(=C1)N=C=S PI-46943 [0,1,0,0,0,0|1,0,1]=3 139 B11R1.189 N#CCc1cccc(c1)OC PI-11344 [0,1,0,0,0,0|1,0,1]=3 140 B11R1.189 NCCc1cccc(OC)c1 PI-31712 [0,1,0,0,0,0|1,0,0]=2 141 B11R1.266 B(C1=CC(=CC=C1)OC)(O)O PI-16835 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.266 B(C1=CC(=CC=C1)SC)(O)O PI-11569 [0,1,0,0,0,0|2,1,0]=4 143 B11R1.266 B(C1=CC(=NC=C1)OC)(O)O PI-40454 [0,1,0,0,0,0|3,0,0]=4 144 B11R1.266 B(C1=NC(=CC=C1)OC)(O)O PI-25501 [0,1,0,0,0,0|3,0,0]=4 145 B11R1.266 CC(=O)C1=CC(=CC=C1)OC PI-44646 [0,1,0,0,0,0|1,0,0]=2 146 B11R1.266 CC(=O)C1=CC=CC(=C1)CCl PI-16155 [0,1,0,0,0,0|3,0,0]=4 147 B11R1.266 CC(C)C1=NC(=CC=C1)OC PI-31677 [0,1,0,0,0,0|2,0,0]=3 148 B11R1.266 CCC1=CC(=CC=C1)C(=O)C PI-22041 [0,1,0,0,0,0|2,0,0]=3 149 B11R1.266 CCC1=NC(=CC=C1)C(C)C PI-19881 [0,1,0,0,0,0|3,0,0]=4 150 B11R1.266 CN(C)C1=CC(=CC=C1)OC PI-48688 [0,1,0,0,0,0|1,0,0]=2 151 B11R1.266 CN(C)C1=CC=CC(=C1)CO PI-21930 [0,1,0,0,0,0|3,0,0]=4 152 B11R1.266 COC1=CC(=NC=C1)C(=O)N PI-26971 [0,1,0,0,0,0|3,0,0]=4 153 B11R1.266 COC1=CC(=NC=C1)C(=O)O PI-26085 [0,1,0,0,0,0|3,0,0]=4 154 B11R1.266 COC1=CC=CC(=C1)C(=O)Cl PI-50560 [0,1,0,0,0,0|2,0,0]=3 155 B11R1.266 COC1=CC=CC(=C1)C(=O)O PI-33400 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.266 COC1=CC=CC(=N1)C(=O)O PI-28329 [0,1,0,0,0,0|3,0,0]=4 157 B11R1.266 COC1=CN=CC(=C1)C(=O)O PI-39997 [0,1,0,0,0,0|3,0,0]=4 158 B11R1.266 COC1=NC=CC(=C1)C(=O)O PI-28037 [0,1,0,0,0,0|3,0,0]=4 159 B11R1.266 COc1cccc(c1)C(=O)N PI-30738 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.266 COc1cccc(c1)[N+](=O)[O-] PI-29700 [0,1,0,0,0,0|2,0,0]=3 161 B11R1.266 COc1ccnc(c1)C(=O)O PI-26532 [0,1,0,0,0,0|3,0,0]=4 162 B11R1.266 N#Cc1cccc(c1)C(=O)C PI-29763 [0,1,0,0,0,0|3,0,0]=4 163 B11R1.266 N#Cc1cccc(c1)[C@@H](N)C PI-34601 [0,1,0,0,0,0|3,0,0]=4 164 B11R1.266 N#Cc1cccc(c1)[C@H](N)C PI-34602 [0,1,0,0,0,0|3,0,0]=4 165 B11R1.267 CC1=C(OC)C=CN=C1CCl PI-41098 [0,1,0,0,0,0|3,0,0]=4 166 B11R1.267 CCC1=C(C(=CC=C1)CC)Br PI-19810 [0,1,0,0,0,0|2,0,0]=3 167 B11R1.267 CCC1=C(C(=CC=C1)CC)N PI-33866 [0,1,0,0,0,0|2,0,0]=3 168 B11R1.267 COC1=C(C(=CC=C1)OC)Br PI-34350 [0,1,0,0,0,0|0,0,0]=1 169 B11R1.267 COC1=C(C(=CC=C1)OC)N PI-21281 [0,1,0,0,0,0|0,0,0]=1 170 B11R1.267 COC1=CC=CC(=C1F)C=O PI-27049 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.267 OCC1=NC=CC(OC)=C1C PI-39845 [0,1,0,0,0,0|3,0,0]=4 172 B11R1.280 C1=CC(=CC(=C1C)OC)C=O PI-10103 [0,1,0,0,0,0|2,0,0]=3 173 B11R1.280 CCC1=C(C=CC(=C1)C#N)N PI-15893 [0,1,0,0,0,0|3,0,0]=4 174 B11R1.280 CCC1=CC(=C(C=C1)Br)OC PI-48437 [0,1,0,0,0,0|1,0,0]=2 175 B11R1.280 CCC1=CC(=C(C=C1)O)C=O PI-26703 [0,1,0,0,0,0|3,0,0]=4 176 B11R1.280 CCC1=CC(=C(C=C1)O)OC PI-12830 [0,1,0,0,0,0|1,0,0]=2 177 B11R1.280 CNC1=C(C=CC(=N1)OC)N PI-33712 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.280 COC1=C(C=CC(=C1)C#N)F PI-10706 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.280 COC1=C(C=CC(=C1)NN)F PI-50686 [0,1,0,0,0,0|2,0,0]=3 180 B11R1.280 COC1=CC(=C(C=C1)Br)C=O PI-27895 [0,1,0,0,0,0|2,0,0]=3 181 B11R1.280 COC1=CC(=C(C=C1)Br)CBr PI-46496 [0,1,0,0,0,0|2,0,0]=3 182 B11R1.280 COC1=CC(=C(C=C1)Br)CO PI-49402 [0,1,0,0,0,0|2,0,0]=3 183 B11R1.280 COC1=CC(=C(C=C1)F)C#N PI-10702 [0,1,0,0,0,0|2,0,0]=3 184 B11R1.280 COC1=CC(=C(C=C1)F)C=O PI-27060 [0,1,0,0,0,0|2,0,0]=3 185 B11R1.280 COC1=CC(=C(C=C1)I)OC PI-23241 [0,1,0,0,0,0|0,0,0]=1 186 B11R1.280 COC1=NC(=C(C=C1)Br)C=O PI-50053 [0,1,0,0,0,0|3,0,0]=4 187 B11R1.280 COC1=NC(=C(C=C1)Br)CO PI-50056 [0,1,0,0,0,0|3,0,0]=4 188 B11R1.280 COC1=NC(=NC=C1Br)OC PI-45786 [0,1,0,0,0,0|2,0,0]=3 189 B11R1.280 COc1cc(C#N)ccc1O PI-29016 [0,1,0,0,0,0|2,0,0]=3 190 B11R1.280 COc1cc(C=O)ccc1F PI-28101 [0,1,0,0,0,0|2,0,0]=3 191 B11R1.280 COc1cc(C=O)ccc1O PI-34109 [0,1,0,0,0,0|2,0,0]=3 192 B11R1.280 COc1ccc(F)c(OC)c1 PI-23228 [0,1,0,0,0,0|0,0,0]=1 193 B11R1.280 COc1ccc(O)c(C=O)c1 PI-27833 [0,1,0,0,0,0|2,0,0]=3 194 B11R1.280 COc1ccc(S)c(OC)c1 PI-23358 [0,1,0,0,0,0|0,0,0]=1 195 B11R1.280 COc1ccc(c(c1)OC)Br PI-21375 [0,1,0,0,0,0|0,0,0]=1 196 B11R1.280 COc1ccc(c(n1)OC)N PI-26916 [0,1,0,0,0,0|1,0,0]=2 197 B11R1.280 N#CC1=NC(OC)=CC=C1Br PI-46758 [0,1,0,0,0,0|3,0,0]=4 198 B9R0.26 COC(=CC(=O)OC)CCl PI-11568 [0,0,1,0,0,0|2,0,1]=4 199 B11R2.190 O=CC1=CC=C2CCC2=C1 PI-40933 [0,0,0,1,0,0|3,0,0]=4 200 B9R1.14 COC1=CSC=C1OC PI-29650 [0,0,0,0,1,0|1,0,0]=2 201 B8R1.2 BrCC1=CC=CC=C1 PI-36476 [2,0,0,0,0,0|2,0,0]=4 202 B8R1.2 C#CC1=CC=CC=C1 PI-48958 [2,0,0,0,0,0|1,0,1]=4 203 B8R1.2 CCC1=CC=CC=N1 PI-49466 [2,0,0,0,0,0|2,0,0]=4 204 B8R1.2 CC[N+]1=CC=CC=C1 PI-13342 [2,0,0,0,0,0|2,0,0]=4 205 B8R1.2 CC[N+]1=CC=CC=C1 PI-13347 [2,0,0,0,0,0|2,0,0]=4 206 B8R1.2 CNC1=CC=CC=N1 PI-11864 [2,0,0,0,0,0|2,0,0]=4 207 B8R1.2 CNC1=CC=NC=C1 PI-23603 [2,0,0,0,0,0|2,0,0]=4 208 B8R1.2 CNC1=CN=CC=C1 PI-11328 [2,0,0,0,0,0|2,0,0]=4 209 B8R1.2 COC1=CC=CC=N1 PI-33887 [2,0,0,0,0,0|1,0,0]=3 210 B8R1.2 COC1=CC=NC=C1 PI-10034 [2,0,0,0,0,0|1,0,0]=3 211 B8R1.2 COC1=CN=CC=C1 PI-33889 [2,0,0,0,0,0|1,0,0]=3 212 B8R1.2 COC1=NC=CN=C1 PI-11859 [2,0,0,0,0,0|2,0,0]=4 213 B8R1.2 CSC1=CC=CC=N1 PI-16757 [2,0,0,0,0,0|1,1,0]=4 214 B8R1.2 NCC1=CC=CC=C1 PI-37209 [2,0,0,0,0,0|2,0,0]=4 215 B8R1.2 NNC1=CC=CC=C1 PI-41551 [2,0,0,0,0,0|2,0,0]=4 216 B8R1.2 ONc1ccccc1 PI-38448 [2,0,0,0,0,0|2,0,0]=4 217 B8R1.2 [C-]#CC1=CC=CC=C1 PI-48435 [2,0,0,0,0,0|1,0,1]=4 218 B8R1.4 Brc1cccc(I)c1 PI-21524 [2,0,0,0,0,0|2,0,0]=4 219 B8R1.4 Brc1cccc(c1)Br PI-11676 [2,0,0,0,0,0|2,0,0]=4 220 B8R1.4 Brc1ccnc(c1)C PI-32240 [2,0,0,0,0,0|2,0,0]=4 221 B8R1.4 C1=C(C=NC=C1Cl)O PI-40461 [2,0,0,0,0,0|2,0,0]=4 222 B8R1.4 C1=CC(=CC(=C1)Br)F PI-12279 [2,0,0,0,0,0|2,0,0]=4 223 B8R1.4 C1=CC(=CC(=C1)Br)S PI-15584 [2,0,0,0,0,0|1,1,0]=4 224 B8R1.4 C1=CC(=CC(=C1)F)O PI-16947 [2,0,0,0,0,0|1,0,0]=3 225 B8R1.4 C1=CC(=CC(=C1)I)F PI-12350 [2,0,0,0,0,0|2,0,0]=4 226 B8R1.4 C1=CC(=CC(=C1)I)N PI-41422 [2,0,0,0,0,0|2,0,0]=4 227 B8R1.4 C1=CC(=C[N+](=C1)[O-])O PI-13309 [2,0,0,0,0,0|1,0,1]=4 228 B8R1.4 C1=CC(=O)NC(=C1)O PI-11767 [2,0,0,0,0,0|1,0,1]=4 229 B8R1.4 C1=CNC(=O)C=C1O PI-10171 [2,0,0,0,0,0|1,0,1]=4 230 B8R1.4 CC1=CC(=CC=C1)I PI-10981 [2,0,0,0,0,0|1,0,0]=3 231 B8R1.4 CC1=CC(=CN=C1)Br PI-27499 [2,0,0,0,0,0|2,0,0]=4 232 B8R1.4 CC1=CC(=CN=C1)F PI-16772 [2,0,0,0,0,0|2,0,0]=4 233 B8R1.4 CC1=CC(=NC=C1)Br PI-10385 [2,0,0,0,0,0|2,0,0]=4 234 B8R1.4 CC1=CC(=NC=C1)Cl PI-16626 [2,0,0,0,0,0|2,0,0]=4 235 B8R1.4 CC1=CC=CC(=O)N1 PI-16688 [2,0,0,0,0,0|1,0,1]=4 236 B8R1.4 CC1=CN=CC(=N1)C PI-11052 [2,0,0,0,0,0|2,0,0]=4 237 B8R1.4 CC1=C[N+](=CC=C1)[O-] PI-33810 [2,0,0,0,0,0|1,0,1]=4 238 B8R1.4 CC1=NC(=CC=C1)Br PI-23524 [2,0,0,0,0,0|2,0,0]=4 239 B8R1.4 CC1=NC=CC(=C1)N PI-13314 [2,0,0,0,0,0|2,0,0]=4 240 B8R1.4 Cc1cccc(N)n1 PI-32836 [2,0,0,0,0,0|2,0,0]=4 241 B8R1.4 Cc1cccc(n1)Cl PI-28225 [2,0,0,0,0,0|2,0,0]=4 242 B8R1.4 Cc1cccc(n1)F PI-16770 [2,0,0,0,0,0|2,0,0]=4 243 B8R1.4 Cc1ccnc(N)c1 PI-32462 [2,0,0,0,0,0|2,0,0]=4 244 B8R1.4 Cc1ccnc(c1)F PI-23598 [2,0,0,0,0,0|2,0,0]=4 245 B8R1.4 Clc1cccc(c1)I PI-39251 [2,0,0,0,0,0|2,0,0]=4 246 B8R1.4 FC1=CC(=CN=C1)O PI-40460 [2,0,0,0,0,0|2,0,0]=4 247 B8R1.4 Fc1cccc(Cl)c1 PI-33064 [2,0,0,0,0,0|2,0,0]=4 248 B8R1.4 Fc1cccc(c1)F PI-11677 [2,0,0,0,0,0|2,0,0]=4 249 B8R1.4 Fc1cccc(c1)S PI-16910 [2,0,0,0,0,0|1,1,0]=4 250 B8R1.4 Nc1cccc(F)c1 PI-16946 [2,0,0,0,0,0|2,0,0]=4 251 B8R1.4 Nc1cccc(S)c1 PI-21351 [2,0,0,0,0,0|1,1,0]=4 252 B8R1.4 OC1=NC=CC(C)=C1 PI-28120 [2,0,0,0,0,0|1,0,0]=3 253 B8R1.4 Oc1cccc(c1)I PI-10955 [2,0,0,0,0,0|1,0,0]=3 254 B8R1.4 Oc1cccc(c1)S PI-21360 [2,0,0,0,0,0|0,1,0]=3 255 B8R1.4 Oc1ccnc(c1)N PI-34188 [2,0,0,0,0,0|2,0,0]=4 256 B8R1.4 Oc1cncc(c1)Br PI-27886 [2,0,0,0,0,0|2,0,0]=4 257 B8R1.4 Sc1cccc(Cl)c1 PI-11010 [2,0,0,0,0,0|1,1,0]=4 258 B10R1.2 CC1=C(C(=CC=C1)C#N)C PI-21940 [1,1,0,0,0,0|2,0,0]=4 259 B10R1.2 CC1=C(C(=CC=C1)C#N)F PI-10707 [1,1,0,0,0,0|2,0,0]=4 260 B10R1.2 CC1=C(C(=CC=C1)C=O)C PI-10267 [1,1,0,0,0,0|2,0,0]=4 261 B10R1.2 CC1=C(C(=CC=C1)CBr)C PI-19918 [1,1,0,0,0,0|2,0,0]=4 262 B10R1.2 CC1=C(C(=CC=C1)CBr)F PI-23752 [1,1,0,0,0,0|2,0,0]=4 263 B10R1.2 CC1=C(C(=CC=C1)NN)C PI-29705 [1,1,0,0,0,0|2,0,0]=4 264 B10R1.2 CC1=C(C(=CC=C1)OC)C PI-33340 [1,1,0,0,0,0|0,0,0]=2 265 B10R1.2 CC1=C(C=CC=C1Cl)OC PI-19448 [1,1,0,0,0,0|1,0,0]=3 266 B10R1.2 CC1=C(C=CC=C1OC)N PI-19271 [1,1,0,0,0,0|1,0,0]=3 267 B10R1.2 CCC1=CC=CC(=C1N)C PI-34080 [1,1,0,0,0,0|1,0,0]=3 268 B10R1.2 COC1=C(C(=CC=C1)F)Br PI-34352 [1,1,0,0,0,0|1,0,0]=3 269 B10R1.2 COC1=C(C(=CC=C1)F)F PI-28119 [1,1,0,0,0,0|1,0,0]=3 270 B10R1.2 COC1=CC=CC(=C1Cl)N PI-34739 [1,1,0,0,0,0|1,0,0]=3 271 B10R1.2 COc1cccc(O)c1Br PI-34766 [1,1,0,0,0,0|0,0,0]=2 272 B10R1.2 COc1cccc(c1N)O PI-38206 [1,1,0,0,0,0|0,0,0]=2 273 B10R1.2 COc1cccc(c1O)O PI-19986 [1,1,0,0,0,0|0,0,0]=2 274 B10R1.2 CSC1=C(C)C(Cl)=CC=C1 PI-39859 [1,1,0,0,0,0|1,1,0]=4 275 B10R1.2 N#Cc1cccc(c1O)O PI-31955 [1,1,0,0,0,0|2,0,0]=4 276 B10R1.2 O=Cc1cccc(C)c1F PI-28944 [1,1,0,0,0,0|2,0,0]=4 277 B10R1.2 O=Cc1cccc(C)c1O PI-27937 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.2 O=Cc1cccc(O)c1O PI-21380 [1,1,0,0,0,0|2,0,0]=4 279 B10R1.8 CC1=CC(=CC(=C1)Br)OC PI-19403 [1,1,0,0,0,0|0,0,0]=2 280 B10R1.8 CC1=CC(=CC(=C1)C#N)C PI-23424 [1,1,0,0,0,0|2,0,0]=4 281 B10R1.8 CC1=CC(=CC(=C1)CBr)C PI-24287 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.8 CC1=CC(=CC(=C1)CN)C PI-21942 [1,1,0,0,0,0|2,0,0]=4 283 B10R1.8 CC1=CC(=CC(=C1)F)C#N PI-10708 [1,1,0,0,0,0|2,0,0]=4 284 B10R1.8 CC1=CC(=CC(=C1)NN)C PI-21975 [1,1,0,0,0,0|2,0,0]=4 285 B10R1.8 CC1=CC(=CC(=O)O1)OC PI-48746 [1,1,0,0,0,0|1,0,0]=3 286 B10R1.8 CC1=CC(=NC(=N1)N)OC PI-30926 [1,1,0,0,0,0|2,0,0]=4 287 B10R1.8 CC1=NC(OC)=CC(Cl)=N1 PI-46743 [1,1,0,0,0,0|2,0,0]=4 288 B10R1.8 COC1=CC(=CC(=C1)Br)Br PI-19875 [1,1,0,0,0,0|1,0,0]=3 289 B10R1.8 COC1=CC(=CC(=C1)Cl)F PI-20056 [1,1,0,0,0,0|1,0,0]=3 290 B10R1.8 COC1=CC(Cl)=CC(Br)=C1 PI-41830 [1,1,0,0,0,0|1,0,0]=3 291 B10R1.8 COc1cc(C)cc(c1)C PI-34203 [1,1,0,0,0,0|0,0,0]=2 292 B10R1.8 COc1cc(C)nc(Cl)n1 PI-36372 [1,1,0,0,0,0|2,0,0]=4 293 B10R1.8 COc1cc(F)cc(F)c1 PI-31329 [1,1,0,0,0,0|1,0,0]=3 294 B10R1.8 COc1cc(F)cc(c1)Br PI-10475 [1,1,0,0,0,0|1,0,0]=3 295 B10R1.8 COc1cc(O)cc(c1)O PI-17720 [1,1,0,0,0,0|0,0,0]=2 296 B10R1.8 CSC1=CC(=CC(=C1)Cl)Cl PI-11896 [1,1,0,0,0,0|1,1,0]=4 297 B10R1.8 N#Cc1cc(O)cc(c1)Cl PI-39164 [1,1,0,0,0,0|2,0,0]=4 298 B10R1.8 NC1=CC(C)=CC(OC)=C1 PI-37340 [1,1,0,0,0,0|0,0,0]=2 299 B10R1.8 NC1=CC(OC)=CC(Cl)=C1 PI-36641 [1,1,0,0,0,0|1,0,0]=3 300 B10R1.8 O=Cc1cc(C)cc(F)c1 PI-28945 [1,1,0,0,0,0|2,0,0]=4 301 B10R1.8 O=Cc1cc(C)cc(c1)C PI-27730 [1,1,0,0,0,0|2,0,0]=4 302 B10R1.8 O=Cc1cc(O)cc(O)c1 PI-11898 [1,1,0,0,0,0|2,0,0]=4 303 B10R1.8 OC1=CC(C)=CC(OC)=C1 PI-20801 [1,1,0,0,0,0|0,0,0]=2 304 B10R1.8 OCc1cc(O)cc(O)c1 PI-31143 [1,1,0,0,0,0|2,0,0]=4 305 B10R1.10 BrCCc1cccc(C)c1 PI-21424 [1,1,0,0,0,0|1,0,0]=3 306 B10R1.10 BrCCc1cccc(Cl)c1 PI-21414 [1,1,0,0,0,0|2,0,0]=4 307 B10R1.10 C1=CC(=CC(=C1)Br)CCN PI-48226 [1,1,0,0,0,0|2,0,0]=4 308 B10R1.10 C1=CC(=CC(=C1)F)CCBr PI-23811 [1,1,0,0,0,0|2,0,0]=4 309 B10R1.10 C1=CC(=CC(=C1)O)CCN PI-12399 [1,1,0,0,0,0|1,0,0]=3 310 B10R1.10 C1=CC(=CC(=C1)O)CCO PI-48194 [1,1,0,0,0,0|1,0,0]=3 311 B10R1.10 CC1=CC(=CC=C1)N=C=O PI-50375 [1,1,0,0,0,0|1,0,1]=4 312 B10R1.10 CCOC1=CC(=CC=C1)F PI-33067 [1,1,0,0,0,0|1,0,0]=3 313 B10R1.10 CCOC1=CC(=CC=C1)S PI-21359 [1,1,0,0,0,0|0,1,0]=3 314 B10R1.10 CCOC1=NC=CC(=C1)N PI-31798 [1,1,0,0,0,0|2,0,0]=4 315 B10R1.10 CCOc1cccc(c1)Br PI-38261 [1,1,0,0,0,0|1,0,0]=3 316 B10R1.10 NCCc1cccc(c1)F PI-33071 [1,1,0,0,0,0|2,0,0]=4 317 B10R1.10 OCCc1cccc(c1)Cl PI-38594 [1,1,0,0,0,0|2,0,0]=4 318 B10R1.30 BrC1=C(C=C(C=C1)Cl)OC PI-41885 [1,1,0,0,0,0|1,0,0]=3 319 B10R1.30 CC1=C(C=C(C=C1)Cl)OC PI-10564 [1,1,0,0,0,0|1,0,0]=3 320 B10R1.30 CC1=CC(=C(C=C1)C)C#C PI-19877 [1,1,0,0,0,0|1,0,1]=4 321 B10R1.30 CC1=CC(=C(C=C1)C)C#N PI-23423 [1,1,0,0,0,0|2,0,0]=4 322 B10R1.30 CC1=CC(=C(C=C1)C)C=O PI-27729 [1,1,0,0,0,0|2,0,0]=4 323 B10R1.30 CC1=CC(=C(C=C1)C)NN PI-29706 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.30 CC1=CC(=C(C=C1)F)C#N PI-28713 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.30 CC1=CC(=C(C=C1)F)C=O PI-10457 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.30 CC1=CC(=C(C=C1)N)C#N PI-34275 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.30 CC1=CC=C(O)C(CC)=N1 PI-33202 [1,1,0,0,0,0|2,0,0]=4 328 B10R1.30 CC1=NC(=C(C=C1)F)OC PI-34436 [1,1,0,0,0,0|1,0,0]=3 329 B10R1.30 CC1=NC(=C(C=C1)N)NC PI-35679 [1,1,0,0,0,0|2,0,0]=4 330 B10R1.30 CCC1=C(C=CC(=C1)O)O PI-19340 [1,1,0,0,0,0|1,0,0]=3 331 B10R1.30 CCc1cc(Br)ccc1I PI-21420 [1,1,0,0,0,0|2,0,0]=4 332 B10R1.30 CNC1=C(C=CC(=C1)F)Br PI-39646 [1,1,0,0,0,0|2,0,0]=4 333 B10R1.30 COC1=C(C=CC(=C1)Br)N PI-44941 [1,1,0,0,0,0|1,0,0]=3 334 B10R1.30 COC1=C(C=CC(=C1)Cl)Cl PI-21000 [1,1,0,0,0,0|1,0,0]=3 335 B10R1.30 COC1=C(C=CC(=C1)Cl)N PI-11332 [1,1,0,0,0,0|1,0,0]=3 336 B10R1.30 COC1=C(C=CC(=C1)F)Br PI-21434 [1,1,0,0,0,0|1,0,0]=3 337 B10R1.30 COC1=C(C=CC(=C1)F)F PI-12727 [1,1,0,0,0,0|1,0,0]=3 338 B10R1.30 COC1=C(C=CC(=C1)N)Br PI-33359 [1,1,0,0,0,0|1,0,0]=3 339 B10R1.30 COC1=C(C=CC(=C1)N)Cl PI-34236 [1,1,0,0,0,0|1,0,0]=3 340 B10R1.30 COC1=C(C=CC(=C1)N)F PI-10622 [1,1,0,0,0,0|1,0,0]=3 341 B10R1.30 COC1=C(N=CC(=C1)Br)N PI-34882 [1,1,0,0,0,0|2,0,0]=4 342 B10R1.30 COC1=C(O)C=CC(F)=C1 PI-27601 [1,1,0,0,0,0|1,0,0]=3 343 B10R1.30 COC1=CC(=CN=C1F)Br PI-43260 [1,1,0,0,0,0|2,0,0]=4 344 B10R1.30 COC1=CC(Br)=CN=C1Cl PI-41978 [1,1,0,0,0,0|2,0,0]=4 345 B10R1.30 COc1cc(Br)ccc1Cl PI-14389 [1,1,0,0,0,0|1,0,0]=3 346 B10R1.30 COc1cc(Br)ccc1F PI-34341 [1,1,0,0,0,0|1,0,0]=3 347 B10R1.30 FC1=CC(=C(N)C=C1)OC PI-39749 [1,1,0,0,0,0|1,0,0]=3 348 B10R1.30 N#Cc1cc(O)ccc1F PI-39223 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.30 O=Cc1cc(C)ccc1O PI-10857 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.30 O=Cc1cc(O)ccc1Br PI-27441 [1,1,0,0,0,0|2,0,0]=4 351 B10R1.30 O=Cc1cc(O)ccc1O PI-18118 [1,1,0,0,0,0|2,0,0]=4 352 B10R1.30 OC1=CC=C(C)N=C1CC PI-40313 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.113 B(C1=CC(=CC=C1)C)(O)O PI-11574 [1,1,0,0,0,0|2,0,0]=4 354 B10R1.113 B(C1=CC(=CC=C1)O)(O)O PI-25936 [1,1,0,0,0,0|2,0,0]=4 355 B10R1.113 Brc1cccc(c1)C(N)C PI-34608 [1,1,0,0,0,0|2,0,0]=4 356 B10R1.113 Brc1cccc(c1)[C@@H](N)C PI-34607 [1,1,0,0,0,0|2,0,0]=4 357 B10R1.113 CC(=O)C1=CC(=CC=C1)I PI-29141 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.113 CC(C1=CC(=CC=C1)Br)O PI-19679 [1,1,0,0,0,0|2,0,0]=4 359 B10R1.113 CC(C1=CC(=CC=C1)Cl)O PI-32583 [1,1,0,0,0,0|2,0,0]=4 360 B10R1.113 CC(C1=CC(=CC=C1)F)N PI-34605 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.113 CC(C1=CC(=CC=C1)F)N PI-34606 [1,1,0,0,0,0|2,0,0]=4 362 B10R1.113 CC(C1=CC(=CC=C1)F)O PI-32581 [1,1,0,0,0,0|2,0,0]=4 363 B10R1.113 CC1=CC(=CC=C1)C(=N)N PI-30283 [1,1,0,0,0,0|2,0,0]=4 364 B10R1.113 CC1=CC(=CC=C1)C(=O)C PI-10859 [1,1,0,0,0,0|1,0,0]=3 365 B10R1.113 CC1=CC(=CC=C1)N(C)N PI-29882 [1,1,0,0,0,0|1,0,0]=3 366 B10R1.113 CC1=CC(=CC=C1)[C@@H](C)O PI-49835 [1,1,0,0,0,0|1,0,0]=3 367 B10R1.113 CC1=NC=CC(C(C)=O)=C1 PI-46770 [1,1,0,0,0,0|2,0,0]=4 368 B10R1.113 C[C@@H](C1=CC(=CC=C1)Br)O PI-49804 [1,1,0,0,0,0|2,0,0]=4 369 B10R1.113 C[C@@H](O)C1=CC=CC(Br)=C1 PI-37056 [1,1,0,0,0,0|2,0,0]=4 370 B10R1.113 Clc1cccc(c1)[C@@H](N)C PI-34603 [1,1,0,0,0,0|2,0,0]=4 371 B10R1.113 Clc1cccc(c1)[C@H](N)C PI-34604 [1,1,0,0,0,0|2,0,0]=4 372 B10R1.113 Fc1cccc(c1)C(=O)C PI-28549 [1,1,0,0,0,0|2,0,0]=4 373 B10R1.113 NC(C1=CC=CC(O)=C1)=S PI-20876 [1,1,0,0,0,0|2,0,0]=4 374 B10R1.113 Nc1cccc(c1)C(=O)C PI-32567 [1,1,0,0,0,0|2,0,0]=4 375 B10R1.113 Nc1cccc(c1)N(C)C PI-30522 [1,1,0,0,0,0|2,0,0]=4 376 B10R1.113 Oc1cccc(c1)C(=O)C PI-31363 [1,1,0,0,0,0|1,0,0]=3 377 B10R1.113 Oc1cccc(c1)C(=O)N PI-30785 [1,1,0,0,0,0|2,0,0]=4 378 B10R1.113 Oc1cccc(c1)C(=O)O PI-33399 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.113 Oc1cccc(c1)[N+](=O)[O-] PI-11942 [1,1,0,0,0,0|2,0,0]=4 380 B10R1.113 S=C(N)C1=CC=CC(C)=C1 PI-19344 [1,1,0,0,0,0|2,0,0]=4 381 B10R1.113 Sc1cccc(c1)N(C)C PI-23411 [1,1,0,0,0,0|1,1,0]=4 382 B10R1.176 BrCc1ccc(F)c(C)c1 PI-23754 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.176 C1=CC(=C(C=C1C#N)O)F PI-35270 [1,1,0,0,0,0|2,0,0]=4 384 B10R1.176 C1=CC(=C(C=C1C=O)O)I PI-27146 [1,1,0,0,0,0|2,0,0]=4 385 B10R1.176 C1=CC(=C(C=C1CO)O)I PI-45003 [1,1,0,0,0,0|2,0,0]=4 386 B10R1.176 C1=CC(=C(C=C1CO)O)O PI-19526 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.176 CC1=C(C=C(C=C1)C=O)C PI-11614 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.176 CC1=C(C=C(C=C1)CCl)C PI-23827 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.176 CC1=C(C=C(C=C1)CN)C PI-33680 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.176 CC1=C(C=C(C=C1)NN)C PI-50516 [1,1,0,0,0,0|2,0,0]=4 391 B10R1.176 CC1=C(C=C(C=C1)OC)Cl PI-10076 [1,1,0,0,0,0|1,0,0]=3 392 B10R1.176 CC1=C(C=C(C=C1)OC)F PI-28510 [1,1,0,0,0,0|1,0,0]=3 393 B10R1.176 CC1=C(C=CC(=C1)C#N)Br PI-14470 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.176 CC1=C(C=CC(=C1)C#N)F PI-10709 [1,1,0,0,0,0|2,0,0]=4 395 B10R1.176 CC1=C(C=CC(=C1)C#N)N PI-30932 [1,1,0,0,0,0|2,0,0]=4 396 B10R1.176 CC1=C(C=CC(=C1)C=O)F PI-28124 [1,1,0,0,0,0|2,0,0]=4 397 B10R1.176 CC1=C(C=CC(=C1)C=O)O PI-18215 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.176 CC1=C(C=CC(=C1)OC)Br PI-31134 [1,1,0,0,0,0|0,0,0]=2 399 B10R1.176 CC1=C(C=CC(=C1)OC)Cl PI-19110 [1,1,0,0,0,0|0,0,0]=2 400 B10R1.176 CC1=C(C=CC(=C1)OC)F PI-28300 [1,1,0,0,0,0|0,0,0]=2 401 B10R1.176 CC1=C(C=CC(=C1)OC)N PI-11298 [1,1,0,0,0,0|0,0,0]=2 402 B10R1.176 CC1=NC(OC)=NC=C1Br PI-46809 [1,1,0,0,0,0|2,0,0]=4 403 B10R1.176 CCc1ccc(c(c1)O)O PI-19057 [1,1,0,0,0,0|1,0,0]=3 404 B10R1.176 COC1=CC(=C(C=C1)Br)Cl PI-20604 [1,1,0,0,0,0|1,0,0]=3 405 B10R1.176 COC1=CC(=C(C=C1)Br)F PI-10453 [1,1,0,0,0,0|1,0,0]=3 406 B10R1.176 COC1=CC(=C(C=C1)Cl)Br PI-33016 [1,1,0,0,0,0|1,0,0]=3 407 B10R1.176 COC1=CC(=C(C=C1)N)O PI-34837 [1,1,0,0,0,0|0,0,0]=2 408 B10R1.176 COC1=CC(=C(C=C1)O)Br PI-14462 [1,1,0,0,0,0|1,0,0]=3 409 B10R1.176 COC1=CC(=C(C=C1)O)N PI-34807 [1,1,0,0,0,0|1,0,0]=3 410 B10R1.176 COC1=CC(F)=C(O)C=C1 PI-40578 [1,1,0,0,0,0|1,0,0]=3 411 B10R1.176 COC1=CC=C(Cl)C(F)=C1 PI-39520 [1,1,0,0,0,0|1,0,0]=3 412 B10R1.176 COC1=CC=C(N)C(N)=C1 PI-12090 [1,1,0,0,0,0|1,0,0]=3 413 B10R1.176 COC1=NC(=C(C=C1)N)N PI-10380 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.176 COC1=NC(=C(C=C1)N)N PI-33881 [1,1,0,0,0,0|2,0,0]=4 415 B10R1.176 COc1ccc(c(c1)Cl)O PI-20143 [1,1,0,0,0,0|1,0,0]=3 416 B10R1.176 COc1ccc(c(c1)F)F PI-28067 [1,1,0,0,0,0|1,0,0]=3 417 B10R1.176 COc1ccc(c(c1)F)N PI-39131 [1,1,0,0,0,0|1,0,0]=3 418 B10R1.176 COc1ccc(c(c1)N)Br PI-35266 [1,1,0,0,0,0|1,0,0]=3 419 B10R1.176 COc1ccc(c(c1)N)N PI-29731 [1,1,0,0,0,0|1,0,0]=3 420 B10R1.176 COc1ccc(c(n1)C)Br PI-38912 [1,1,0,0,0,0|1,0,0]=3 421 B10R1.176 COc1ncc(c(c1)C)Br PI-38911 [1,1,0,0,0,0|1,0,0]=3 422 B10R1.176 CSC1=CC(=C(C=C1)Cl)Cl PI-11888 [1,1,0,0,0,0|1,1,0]=4 423 B10R1.176 N#Cc1ccc(c(c1)C)C PI-29364 [1,1,0,0,0,0|2,0,0]=4 424 B10R1.176 NCc1ccc(c(c1)O)O PI-30190 [1,1,0,0,0,0|2,0,0]=4 425 B10R1.176 NNc1ccc(c(c1)C)C PI-29749 [1,1,0,0,0,0|2,0,0]=4 426 B10R1.176 O=Cc1ccc(O)c(O)c1 PI-10046 [1,1,0,0,0,0|2,0,0]=4 427 B10R1.176 O=Cc1ccc(c(c1)O)C PI-27720 [1,1,0,0,0,0|2,0,0]=4 428 B12R1.11 B(C1=CC(=CC(=C1)F)OC)(O)O PI-49915 [0,2,0,0,0,0|2,0,0]=4 429 B12R1.11 COc1cc(C)cc(c1)C(=O)O PI-36103 [0,2,0,0,0,0|2,0,0]=4 430 B12R1.11 COc1cc(N)cc(c1)[N+](=O)[O-] PI-29722 [0,2,0,0,0,0|2,0,0]=4 431 B12R1.58 COC1=CC(=CC(=C1)C#C)OC PI-48351 [0,2,0,0,0,0|0,0,0]=2 432 B12R1.58 COC1=CC(=CC(=C1)C#N)OC PI-16134 [0,2,0,0,0,0|0,0,0]=2 433 B12R1.58 COC1=CC(=CC(=C1)CO)CO PI-19268 [0,2,0,0,0,0|2,0,0]=4 434 B12R1.58 COC1=CC(=CC(=C1)CO)OC PI-31277 [0,2,0,0,0,0|0,0,0]=2 435 B12R1.58 COC1=CC(=NC(=N1)OC)OC PI-21350 [0,2,0,0,0,0|2,0,0]=4 436 B12R1.58 COC1=CC(=NC(=N1)SC)OC PI-11256 [0,2,0,0,0,0|2,0,0]=4 437 B12R1.58 COC1=CC(OC)=CC(CCl)=C1 PI-23198 [0,2,0,0,0,0|0,0,0]=2 438 B12R1.58 COC1=CC(OC)=NC(CCl)=N1 PI-21316 [0,2,0,0,0,0|2,0,0]=4 439 B12R1.58 COc1cc(OC)cc(c1)C=O PI-16093 [0,2,0,0,0,0|0,0,0]=2 440 B12R1.58 COc1cc(OC)cc(c1)OC PI-11233 [0,2,0,0,0,0|0,0,0]=2 441 B12R1.58 NCc1cc(OC)cc(c1)OC PI-30510 [0,2,0,0,0,0|0,0,0]=2 442 B12R1.235 CCC1=CC(=CC(=C1N)CC)Br PI-21612 [0,2,0,0,0,0|2,0,0]=4 443 B12R1.235 CCC1=CC(C)=CC(CC)=C1Br PI-42055 [0,2,0,0,0,0|2,0,0]=4 444 B12R1.235 COC1=CC(=CC(=C1O)C=O)Br PI-27644 [0,2,0,0,0,0|2,0,0]=4 445 B12R1.235 COC1=CC(=CC(=C1O)C=O)I PI-27877 [0,2,0,0,0,0|2,0,0]=4 446 B12R1.235 COC1=CC(=O)C=C(C1=O)OC PI-29662 [0,2,0,0,0,0|0,0,0]=2 447 B12R1.300 COC1=C(C(=CC(=C1)C=O)Br)O PI-18444 [0,2,0,0,0,0|2,0,0]=4 448 B12R1.300 COC1=C(C(=CC(=C1)C=O)I)O PI-27693 [0,2,0,0,0,0|2,0,0]=4 449 B12R1.300 COC1=CC(=C(C(=C1)Br)O)C=O PI-27643 [0,2,0,0,0,0|2,0,0]=4 450 B12R1.300 COC1=CC(=CC(=C1O)O)C=O PI-18518 [0,2,0,0,0,0|2,0,0]=4 451 B12R1.300 COc1cc(C=O)cc(Cl)c1O PI-27306 [0,2,0,0,0,0|2,0,0]=4 452 B12R1.300 COc1cc(C=O)cc(F)c1O PI-27919 [0,2,0,0,0,0|2,0,0]=4 453 B12R1.279 B(C1=CC(=CC=C1)COC)(O)O PI-25147 [0,2,0,0,0,0|2,0,0]=4 454 B12R1.279 B(C1=CC(=CC=C1)OCC)(O)O PI-25964 [0,2,0,0,0,0|2,0,0]=4 455 B12R1.279 CCOC1=CC=CC(=C1)C(=O)O PI-27803 [0,2,0,0,0,0|2,0,0]=4 456 B12R1.279 O=C(N)C1=CC=CC(OCC)=C1 PI-30716 [0,2,0,0,0,0|2,0,0]=4 457 B12R1.280 CCOC1=CC=CC(=C1O)C=O PI-19647 [0,2,0,0,0,0|2,0,0]=4 458 B12R1.280 COC1=CC=CC(=C1O)CC#N PI-20796 [0,2,0,0,0,0|1,0,1]=4 459 B12R1.286 CC1=C(C=C(C=C1)CC#N)OC PI-35269 [0,2,0,0,0,0|1,0,1]=4 460 B12R1.286 COC1=C(C=CC(=C1)C=NO)O PI-27429 [0,2,0,0,0,0|2,0,0]=4 461 B12R1.286 COC1=C(C=CC(=C1)CCN)Br PI-48277 [0,2,0,0,0,0|1,0,0]=3 462 B12R1.286 COC1=C(C=CC(=C1)CCN)O PI-20794 [0,2,0,0,0,0|1,0,0]=3 463 B12R1.286 OCCc1ccc(c(c1)OC)O PI-27378 [0,2,0,0,0,0|1,0,0]=3 464 B12R1.382 C1=CC(=CC(=C1)OCCO)C=O PI-27769 [0,2,0,0,0,0|2,0,0]=4 465 B12R1.382 CNC1=CC=CC(=C1)CCCO PI-12563 [0,2,0,0,0,0|2,0,0]=4 466 B12R1.382 COCOC1=CC=CC(=C1)C=O PI-26117 [0,2,0,0,0,0|2,0,0]=4 467 B12R1.435 CCC(=O)C1=CC(=CC=C1)OC PI-49387 [0,2,0,0,0,0|1,0,0]=3 468 B12R1.435 COC(=O)C1=CC=CC(=C1)C#N PI-45902 [0,2,0,0,0,0|2,0,0]=4 469 B12R1.435 COC(=O)C1=CC=CC(=C1)CBr PI-30071 [0,2,0,0,0,0|2,0,0]=4 470 B12R1.435 COC(=O)c1cccc(C=O)c1 PI-27667 [0,2,0,0,0,0|2,0,0]=4 471 B12R1.435 COC1=CC(=NC=C1)C(=O)OC PI-26535 [0,2,0,0,0,0|1,0,0]=3 472 B12R1.435 COC1=CC=CC(=C1)C(=O)CBr PI-21567 [0,2,0,0,0,0|1,0,0]=3 473 B12R1.435 COC1=CC=CC(=C1)C(=O)OC PI-50321 [0,2,0,0,0,0|0,0,0]=2 474 B12R1.438 C1=CC(=CC(=C1)OC(F)F)C#N PI-21185 [0,2,0,0,0,0|2,0,0]=4 475 B12R1.438 C1=CC(=CC(=C1)OC(F)F)C=O PI-21179 [0,2,0,0,0,0|2,0,0]=4 476 B12R1.438 C1=CC(=CC(=C1)OC(F)F)CBr PI-21190 [0,2,0,0,0,0|2,0,0]=4 477 B12R1.438 COC1=CC=CC(=C1)CC(=O)O PI-15442 [0,2,0,0,0,0|1,0,1]=4 478 B12R1.438 O=Cc1cccc(c1)OC(=O)C PI-27498 [0,2,0,0,0,0|2,0,0]=4 479 B12R1.56 B(C1=CC(=C(C=C1)C)OC)(O)O PI-49932 [0,2,0,0,0,0|2,0,0]=4 480 B12R1.56 B(C1=CC(=C(C=C1)Cl)OC)(O)O PI-49926 [0,2,0,0,0,0|2,0,0]=4 481 B12R1.56 B(C1=CC(=C(C=C1)F)OC)(O)O PI-49958 [0,2,0,0,0,0|2,0,0]=4 482 B12R1.56 CC(=O)C1=CC(=C(C=C1)F)OC PI-30823 [0,2,0,0,0,0|1,0,0]=3 483 B12R1.56 CC1=C(C=C(C=C1)[N+](=O)[O-])OC PI-12157 [0,2,0,0,0,0|2,0,0]=4 484 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)F PI-34251 [0,2,0,0,0,0|2,0,0]=4 485 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])Cl PI-20188 [0,2,0,0,0,0|2,0,0]=4 486 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])F PI-34250 [0,2,0,0,0,0|2,0,0]=4 487 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])I PI-29688 [0,2,0,0,0,0|2,0,0]=4 488 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])O PI-27481 [0,2,0,0,0,0|2,0,0]=4 489 B12R1.56 COc1cc(ccc1Br)C(=O)O PI-35857 [0,2,0,0,0,0|2,0,0]=4 490 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] PI-29916 [0,2,0,0,0,0|2,0,0]=4 491 B12R1.56 COc1cc(ccc1Cl)C(=O)O PI-27953 [0,2,0,0,0,0|2,0,0]=4 492 B12R1.56 COc1cc(ccc1F)B(O)O PI-25597 [0,2,0,0,0,0|2,0,0]=4 493 B12R1.56 COc1cc(ccc1N)C(=O)O PI-30375 [0,2,0,0,0,0|2,0,0]=4 494 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] PI-32439 [0,2,0,0,0,0|2,0,0]=4 495 B12R1.56 COc1cc(ccc1O)C(=O)O PI-31895 [0,2,0,0,0,0|2,0,0]=4 496 B12R1.56 O=C(C1=CC=C(O)C(OC)=C1)C PI-46830 [0,2,0,0,0,0|1,0,0]=3 497 B12R1.56 O=C(O)C1=CC=C(C)C(OC)=C1 PI-10102 [0,2,0,0,0,0|2,0,0]=4 498 B12R1.258 CC(=C)C1=CC(=CC=C1)C(=C)C PI-50180 [0,2,0,0,0,0|2,0,0]=4 499 B12R1.258 CC(=C)C1=CC(=CC=C1)C(=O)C PI-50179 [0,2,0,0,0,0|2,0,0]=4 500 B12R1.258 CC(=O)C1=CC(=CC=C1)N(C)C PI-29288 [0,2,0,0,0,0|2,0,0]=4 501 B12R1.436 CCC1=CC(=CC=C1)C(C)(C)C PI-19132 [0,2,0,0,0,0|2,0,0]=4 502 B12R1.436 COC1=CC(=CC=C1)S(=O)(=O)Cl PI-40966 [0,2,0,0,0,0|1,1,0]=4 503 B12R1.436 COC1=CC=CC(=C1)C(F)(F)F PI-31198 [0,2,0,0,0,0|2,0,0]=4 504 B12R1.440 CC1=C(C=CC=C1OC)C(=O)O PI-11935 [0,2,0,0,0,0|2,0,0]=4 505 B12R1.440 CC1=C(C=CC=C1OC)[N+](=O)[O-] PI-26676 [0,2,0,0,0,0|2,0,0]=4 506 B12R1.440 COC1=CC=CC(=C1Br)[N+](=O)[O-] PI-29844 [0,2,0,0,0,0|2,0,0]=4 507 B12R1.440 COC1=CC=CC(=C1N)C(=O)O PI-30469 [0,2,0,0,0,0|2,0,0]=4 508 B12R1.440 COC1=CC=CC(=C1O)C(=O)O PI-16106 [0,2,0,0,0,0|2,0,0]=4 509 B12R1.440 COc1cccc(c1Br)C(=O)O PI-39348 [0,2,0,0,0,0|2,0,0]=4 510 B12R1.440 COc1cccc(c1F)B(O)O PI-25468 [0,2,0,0,0,0|2,0,0]=4 511 B12R1.440 O=C(Cl)C1=CC=CC(OC)=C1C PI-37995 [0,2,0,0,0,0|2,0,0]=4 512 B12R1.453 B(C1=C(C=CC(=C1)OC)Cl)(O)O PI-33007 [0,2,0,0,0,0|2,0,0]=4 513 B12R1.453 CC1=C(C=C(C=C1)OC)[N+](=O)[O-] PI-31366 [0,2,0,0,0,0|2,0,0]=4 514 B12R1.453 CCC1=CC(=C(C=C1)O)C(=O)C PI-29391 [0,2,0,0,0,0|2,0,0]=4 515 B12R1.453 COC1=CC(=C(C=C1)Br)C(=O)Cl PI-21556 [0,2,0,0,0,0|2,0,0]=4 516 B12R1.453 COC1=CC(=C(C=C1)Br)C(=O)O PI-30340 [0,2,0,0,0,0|2,0,0]=4 517 B12R1.453 COC1=CC(=C(C=C1)Br)[N+](=O)[O-] PI-29670 [0,2,0,0,0,0|2,0,0]=4 518 B12R1.453 COC1=CC(=C(C=C1)I)[N+](=O)[O-] PI-29724 [0,2,0,0,0,0|2,0,0]=4 519 B12R1.453 COC1=CC(=C(C=C1)O)[N+](=O)[O-] PI-29161 [0,2,0,0,0,0|2,0,0]=4 520 B12R1.453 COc1ccc(N)c(c1)C(=O)O PI-16410 [0,2,0,0,0,0|2,0,0]=4 521 B12R1.453 COc1ccc(c(c1)C(=O)C)O PI-29865 [0,2,0,0,0,0|1,0,0]=3 522 B12R1.453 COc1ccc(c(c1)C(=O)O)Cl PI-18773 [0,2,0,0,0,0|2,0,0]=4 523 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Cl PI-29037 [0,2,0,0,0,0|2,0,0]=4 524 B12R1.453 O=C(O)C1=CC(OC)=CC=C1S PI-37112 [0,2,0,0,0,0|2,0,0]=4 525 B12R1.654 COC1=C(C(=C(C=C1)Br)C=O)O PI-27317 [0,2,0,0,0,0|2,0,0]=4 526 B12R1.654 COC1=C(C(=C(C=C1)F)C=O)F PI-50192 [0,2,0,0,0,0|2,0,0]=4 527 B12R1.654 COC1=C(C=CC(=C1F)C#N)F PI-10695 [0,2,0,0,0,0|2,0,0]=4 528 B12R1.1879 COC1=CC=CC(=C1OC)C#N PI-23192 [0,2,0,0,0,0|2,0,0]=4 529 B12R1.1879 COC1=CC=CC(=C1OC)C=O PI-11730 [0,2,0,0,0,0|2,0,0]=4 530 B12R1.1879 COc1c(OC)cccc1OC PI-33041 [0,2,0,0,0,0|0,0,0]=2 531 B12R1.1879 N#Cc1c(OC)cccc1OC PI-21286 [0,2,0,0,0,0|0,0,0]=2 532 B12R1.1879 NCC1=CC=CC(OC)=C1OC PI-30009 [0,2,0,0,0,0|2,0,0]=4 533 B12R1.1879 O=Cc1c(OC)cccc1OC PI-15326 [0,2,0,0,0,0|0,0,0]=2 534 B12R1.78 C1=C(C(=CC=C1OC)OC)OC PI-15328 [0,2,0,0,0,0|0,0,0]=2 535 B12R1.78 COC1=C(C=C(C=C1)C#N)OC PI-34357 [0,2,0,0,0,0|2,0,0]=4 536 B12R1.78 COC1=C(C=C(C=C1)C=C)OC PI-46940 [0,2,0,0,0,0|1,0,1]=4 537 B12R1.78 COC1=C(C=C(C=C1)CN)OC PI-21287 [0,2,0,0,0,0|2,0,0]=4 538 B12R1.78 COC1=C(C=CC(=C1)C#N)C=O PI-26308 [0,2,0,0,0,0|2,0,0]=4 539 B12R1.78 COC1=CC(=C(C=C1)C#N)OC PI-29583 [0,2,0,0,0,0|0,0,0]=2 540 B12R1.78 COC1=CC(=C(C=C1)C=O)C#N PI-26309 [0,2,0,0,0,0|2,0,0]=4 541 B12R1.78 COC1=CC(=C(C=C1)OC)CCl PI-23197 [0,2,0,0,0,0|2,0,0]=4 542 B12R1.78 COc1cc(C#C)ccc1OC PI-30615 [0,2,0,0,0,0|1,0,1]=4 543 B12R1.78 COc1cc(CCl)ccc1OC PI-32020 [0,2,0,0,0,0|2,0,0]=4 544 B12R1.78 COc1cc(OC)ccc1C=O PI-10207 [0,2,0,0,0,0|0,0,0]=2 545 B12R1.78 COc1cc(OC)ccc1CO PI-29889 [0,2,0,0,0,0|0,0,0]=2 546 B12R1.78 COc1cc(SC)ccc1OC PI-23352 [0,2,0,0,0,0|0,1,0]=3 547 B12R1.78 COc1cc([N+]#[C-])ccc1OC PI-23292 [0,2,0,0,0,0|1,0,1]=4 548 B12R1.78 COc1ccc(OC)c([N+]#[C-])c1 PI-23291 [0,2,0,0,0,0|1,0,1]=4 549 B12R1.449 COC1=C(C=C(C(=C1)C=O)Br)O PI-27776 [0,2,0,0,0,0|2,0,0]=4 550 B12R1.449 COC1=C(C=C(C(=C1)C=O)F)Cl PI-48251 [0,2,0,0,0,0|2,0,0]=4 551 B12R1.449 COC1=CC(=C(C=C1N)Cl)OC PI-11752 [0,2,0,0,0,0|0,0,0]=2 552 B10R1.149 CN1C=CC=C1C(=O)OC PI-31682 [0,0,1,1,0,0|2,0,0]=4 553 B10R2.31 BrC1=CC2=C(CC2)C=C1 PI-37003 [1,0,0,1,0,0|2,0,0]=4 554 B10R2.31 NC1=CC=C2CCC2=C1 PI-40931 [1,0,0,1,0,0|2,0,0]=4 555 B10R2.31 OC1=CC=C2CCC2=C1 PI-42598 [1,0,0,1,0,0|1,0,0]=3 556 B10R2.7 C1COc2c(O1)csc2 PI-31761 [0,0,0,1,1,0|1,0,0]=3 557 B12R2.44 C#Cc1ccc2c(c1)OCO2 PI-38731 [0,1,0,1,0,0|1,0,1]=4 558 B12R2.44 C1OC2=C(O1)C=C(C=C2)CCl PI-32417 [0,1,0,1,0,0|2,0,0]=4 559 B12R2.44 C=CC1=CC2=C(C=C1)OCO2 PI-49743 [0,1,0,1,0,0|1,0,1]=4 560 B12R2.44 COC1=CC2=C(C=C1)N=CS2 PI-45370 [0,1,0,1,0,0|0,1,1]=4 561 B12R2.44 COC1=CC2=C(C=C1)NCC2 PI-36188 [0,1,0,1,0,0|1,0,0]=3 562 B12R2.44 COC1=CC2=C(CNC2)C=C1 PI-48286 [0,1,0,1,0,0|1,0,0]=3 563 B12R2.44 COc1ccc2[nH]ccc2c1 PI-20326 [0,1,0,1,0,0|1,0,1]=4 564 B12R2.44 COc1ccc2[nH]ncc2c1 PI-36080 [0,1,0,1,0,0|2,0,0]=4 565 B12R2.44 COc1ccc2c(c1)[nH]cc2 PI-22794 [0,1,0,1,0,0|1,0,1]=4 566 B12R2.44 COc1ccc2c(c1)cco2 PI-17717 [0,1,0,1,0,0|1,0,1]=4 567 B12R2.44 N#Cc1ccc2c(c1)OCO2 PI-12788 [0,1,0,1,0,0|2,0,0]=4 568 B12R2.44 OCc1ccc2OCOc2c1 PI-32416 [0,1,0,1,0,0|2,0,0]=4 569 B12R2.315 C1COC2=CC=CC(=C21)C=O PI-41060 [0,1,0,1,0,0|2,0,0]=4 570 B12R2.315 C1OC2=CC=CC(=C2O1)C=O PI-27910 [0,1,0,1,0,0|2,0,0]=4 571 B12R2.315 C=CC1=C2CCOC2=CC=C1 PI-42311 [0,1,0,1,0,0|1,0,1]=4 572 B12R2.315 COC1=CC=CC2=C1C=CN2 PI-16821 [0,1,0,1,0,0|1,0,1]=4 573 B12R2.315 COC1=CC=CC2=C1NC=C2 PI-16822 [0,1,0,1,0,0|1,0,1]=4 574 B12R2.315 COC1=CC=CC2=C1NCC2 PI-35812 [0,1,0,1,0,0|1,0,0]=3 575 B12R2.315 COC1=CC=CC2=C1OC=C2 PI-19860 [0,1,0,1,0,0|1,0,1]=4 576 B12R2.315 COc1cccc2cn[nH]c12 PI-36375 [0,1,0,1,0,0|2,0,0]=4 577 B8R1.11 CC1=C(C=CO1)SC PI-14230 [1,0,0,0,1,0|1,1,0]=4 578 B8R1.11 COC1=C(SC=C1)Br PI-39262 [1,0,0,0,1,0|2,0,0]=4 579 B10R1.3 COC1=CC=C(C=C1)C#N PI-11998 [0,0,0,0,1,1|2,0,0]=4 580 B10R1.3 COC1=CC=C(C=C1)CS PI-45776 [0,0,0,0,1,1|2,0,0]=4 581 B10R1.3 COC1=CC=C(CC)C=C1 PI-12098 [0,0,0,0,1,1|1,0,0]=3 582 B10R1.3 COC1=NC=C(C=C1)C=O PI-10317 [0,0,0,0,1,1|2,0,0]=4 583 B10R1.3 COc1ccc(cc1)C#C PI-30919 [0,0,0,0,1,1|1,0,1]=4 584 B10R1.3 COc1ccc(cc1)C=C PI-34180 [0,0,0,0,1,1|1,0,1]=4 585 B10R1.3 COc1ccc(cc1)SC PI-12000 [0,0,0,0,1,1|0,1,0]=3 586 B10R1.3 COc1ccc(nc1)C=O PI-39039 [0,0,0,0,1,1|2,0,0]=4 587 B10R1.3 ClCc1ccc(OC)cc1 PI-11999 [0,0,0,0,1,1|2,0,0]=4 588 B10R1.3 NCc1ccc(OC)cc1 PI-10970 [0,0,0,0,1,1|2,0,0]=4 589 B10R1.3 NNc1ccc(cc1)OC PI-25299 [0,0,0,0,1,1|2,0,0]=4 590 B10R1.3 NNc1ccc(nc1)OC PI-39209 [0,0,0,0,1,1|2,0,0]=4