0 B10R1.10 BrCCc1cccc(C)c1 PI-21424 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.10 BrCCc1cccc(Cl)c1 PI-21414 [0,0,0,0,0,0|1,1,0]=2 2 B10R1.10 C1=CC(=CC(=C1)Br)C=NO PI-27659 [0,0,0,0,0,0|2,1,1]=4 3 B10R1.10 C1=CC(=CC(=C1)Br)CCN PI-48226 [0,0,0,0,0,0|0,1,0]=1 4 B10R1.10 C1=CC(=CC(=C1)Br)N=C=S PI-22498 [0,0,0,0,0,0|2,1,1]=4 5 B10R1.10 C1=CC(=CC(=C1)Cl)C=NO PI-27977 [0,0,0,0,0,0|2,1,1]=4 6 B10R1.10 C1=CC(=CC(=C1)F)CCBr PI-23811 [0,0,0,0,0,0|1,0,0]=1 7 B10R1.10 C1=CC(=CC(=C1)F)N=C=O PI-19552 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.10 C1=CC(=CC(=C1)F)N=C=S PI-19553 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.10 C1=CC(=CC(=C1)O)CCN PI-12399 [0,0,0,0,0,0|1,0,0]=1 10 B10R1.10 C1=CC(=CC(=C1)O)CCO PI-48194 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.10 CC1=CC(=CC=C1)N=C=O PI-50375 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.10 CCCC1=CC(=NC=C1)N PI-19769 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.10 CCOC1=CC(=CC=C1)F PI-33067 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.10 CCOC1=CC(=CC=C1)S PI-21359 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.10 CCOC1=NC=CC(=C1)N PI-31798 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.10 CCOc1cccc(c1)Br PI-38261 [0,0,0,0,0,0|2,1,0]=3 17 B10R1.10 N#CCc1cccc(Cl)c1 PI-11917 [0,0,0,0,0,0|0,1,2]=3 18 B10R1.10 N#CCc1cccc(F)c1 PI-16867 [0,0,0,0,0,0|0,0,2]=2 19 B10R1.10 N#CCc1cccc(c1)Br PI-11912 [0,0,0,0,0,0|0,1,2]=3 20 B10R1.10 NCCc1cccc(c1)F PI-33071 [0,0,0,0,0,0|0,0,0]=0 21 B10R1.10 OCCc1cccc(c1)Cl PI-38594 [0,0,0,0,0,0|1,1,0]=2 22 B10R1.10 [C-]#[N+]Cc1cccc(c1)Cl PI-23614 [0,0,0,0,0,0|2,1,0]=3 23 B9R1.2 BrCc1cccc(I)c1 PI-29628 [1,0,0,0,0,0|1,1,0]=3 24 B9R1.2 BrCc1cccc(c1)Br PI-13393 [1,0,0,0,0,0|1,1,0]=3 25 B9R1.2 BrCc1cccc(c1)Cl PI-23167 [1,0,0,0,0,0|1,1,0]=3 26 B9R1.2 C#CC1=CC(=CC=C1)Br PI-30913 [1,0,0,0,0,0|0,1,2]=4 27 B9R1.2 C#CC1=CC(=CC=C1)Cl PI-30914 [1,0,0,0,0,0|0,1,2]=4 28 B9R1.2 C#CC1=CC(=CC=C1)F PI-30388 [1,0,0,0,0,0|0,0,2]=3 29 B9R1.2 C#Cc1cccc(N)c1 PI-10850 [1,0,0,0,0,0|1,0,2]=4 30 B9R1.2 C1=C(C=NC=C1Br)CO PI-47170 [1,0,0,0,0,0|2,1,0]=4 31 B9R1.2 C1=C(C=NC=C1Cl)CO PI-34717 [1,0,0,0,0,0|2,1,0]=4 32 B9R1.2 C1=C(C=NC=C1F)NN PI-48989 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.2 C1=CC(=CC(=C1)Br)C#N PI-30857 [1,0,0,0,0,0|0,1,2]=4 34 B9R1.2 C1=CC(=CC(=C1)Br)CCl PI-35258 [1,0,0,0,0,0|1,1,0]=3 35 B9R1.2 C1=CC(=CC(=C1)Br)CO PI-10954 [1,0,0,0,0,0|1,1,0]=3 36 B9R1.2 C1=CC(=CC(=C1)Cl)CCl PI-34222 [1,0,0,0,0,0|1,1,0]=3 37 B9R1.2 C1=CC(=CC(=C1)Cl)NN PI-29369 [1,0,0,0,0,0|1,1,0]=3 38 B9R1.2 C1=CC(=CC(=C1)F)CBr PI-13389 [1,0,0,0,0,0|1,0,0]=2 39 B9R1.2 C1=CC(=CC(=C1)F)CCl PI-34129 [1,0,0,0,0,0|1,0,0]=2 40 B9R1.2 C1=CC(=CC(=C1)F)CO PI-16873 [1,0,0,0,0,0|1,0,0]=2 41 B9R1.2 C1=CC(=CC(=C1)F)NN PI-29439 [1,0,0,0,0,0|1,0,0]=2 42 B9R1.2 C1=CC(=CC(=C1)I)C=O PI-27854 [1,0,0,0,0,0|1,1,1]=4 43 B9R1.2 C1=CC(=CC(=C1)N)C=O PI-27126 [1,0,0,0,0,0|2,0,1]=4 44 B9R1.2 C1=CC(=CC(=C1)O)C#N PI-35245 [1,0,0,0,0,0|1,0,2]=4 45 B9R1.2 C1=CC(=CC(=C1)O)CBr PI-43991 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.2 C1=CC(=CC(=C1)O)CO PI-11929 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.2 C1=CC(=NC(=C1)Br)CBr PI-34987 [1,0,0,0,0,0|2,1,0]=4 48 B9R1.2 C1=CC(=NC(=C1)Br)CN PI-34988 [1,0,0,0,0,0|1,1,0]=3 49 B9R1.2 C1=CC(=NC(=C1)Br)CO PI-11552 [1,0,0,0,0,0|2,1,0]=4 50 B9R1.2 C1=CC(=NC(=C1)Br)NN PI-34719 [1,0,0,0,0,0|2,1,0]=4 51 B9R1.2 C1=CC(=NC(=C1)Cl)CO PI-35291 [1,0,0,0,0,0|2,1,0]=4 52 B9R1.2 C1=CC(=NC(=C1)Cl)CO PI-35292 [1,0,0,0,0,0|2,1,0]=4 53 B9R1.2 C1=CN=C(C=C1CBr)Br PI-40971 [1,0,0,0,0,0|2,1,0]=4 54 B9R1.2 C1=CN=C(C=C1CO)Br PI-27098 [1,0,0,0,0,0|2,1,0]=4 55 B9R1.2 C1=CN=C(C=C1CO)F PI-44971 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.2 C1=CN=C(C=C1Cl)CO PI-34715 [1,0,0,0,0,0|2,1,0]=4 57 B9R1.2 C=CC1=CC(=CC=C1)Br PI-22598 [1,0,0,0,0,0|0,1,2]=4 58 B9R1.2 C=Cc1cccc(c1)C PI-40767 [1,0,0,0,0,0|1,0,2]=4 59 B9R1.2 CC1=CC(=CC=C1)C=O PI-11938 [1,0,0,0,0,0|2,0,1]=4 60 B9R1.2 CC1=CC(=CC=C1)CN PI-35861 [1,0,0,0,0,0|1,0,0]=2 61 B9R1.2 CC1=NC(=CC=C1)NN PI-36907 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.2 CC1=NC(=CC=C1)OC PI-10858 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.2 CCC1=CC(=CC=C1)Br PI-21410 [1,0,0,0,0,0|0,1,0]=2 64 B9R1.2 CCC1=CC(=NC=C1)Br PI-24478 [1,0,0,0,0,0|1,1,0]=3 65 B9R1.2 CCC1=CC(=NC=N1)Cl PI-47323 [1,0,0,0,0,0|2,1,0]=4 66 B9R1.2 CCc1cccc(N)n1 PI-30318 [1,0,0,0,0,0|2,0,0]=3 67 B9R1.2 CCc1ccnc(c1)N PI-30483 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.2 CNc1cccc(c1)F PI-29299 [1,0,0,0,0,0|1,0,0]=2 69 B9R1.2 COC1=CC(=CC=C1)Br PI-12683 [1,0,0,0,0,0|1,1,0]=3 70 B9R1.2 COC1=CC(=CC=C1)S PI-13025 [1,0,0,0,0,0|2,0,0]=3 71 B9R1.2 COC1=CC(=NC=C1)Cl PI-27253 [1,0,0,0,0,0|2,1,0]=4 72 B9R1.2 COC1=CC(=NC=C1)N PI-31930 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.2 COC1=CC(=O)NC=C1 PI-47311 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.2 COC1=CC(Cl)=CC=C1 PI-31362 [1,0,0,0,0,0|1,1,0]=3 75 B9R1.2 COC1=CC(F)=CC=C1 PI-12220 [1,0,0,0,0,0|1,0,0]=2 76 B9R1.2 COC1=NC(=CC=C1)Br PI-34471 [1,0,0,0,0,0|2,1,0]=4 77 B9R1.2 COC1=NC=CC(=C1)I PI-36520 [1,0,0,0,0,0|2,1,0]=4 78 B9R1.2 COc1cc(Br)cnc1 PI-38259 [1,0,0,0,0,0|2,1,0]=4 79 B9R1.2 COc1cc(Cl)ccn1 PI-26867 [1,0,0,0,0,0|2,1,0]=4 80 B9R1.2 COc1cc(N)ccn1 PI-26277 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.2 COc1cc(N)cnc1 PI-33855 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.2 COc1cccc(c1)O PI-34658 [1,0,0,0,0,0|2,0,0]=3 83 B9R1.2 CSC1=CC(=CC=C1)Br PI-11915 [1,0,0,0,0,0|1,1,0]=3 84 B9R1.2 CSC1=CC(=CC=C1)Cl PI-20243 [1,0,0,0,0,0|1,1,0]=3 85 B9R1.2 CSc1cccc(c1)N PI-11908 [1,0,0,0,0,0|2,0,0]=3 86 B9R1.2 Clc1cccc(c1)C#N PI-31301 [1,0,0,0,0,0|0,1,2]=4 87 B9R1.2 FC1=NC(=CC=C1)C=O PI-39667 [1,0,0,0,0,0|2,0,1]=4 88 B9R1.2 Fc1cc(cnc1)C#N PI-38882 [1,0,0,0,0,0|1,0,2]=4 89 B9R1.2 N#Cc1cccc(F)c1 PI-16864 [1,0,0,0,0,0|0,0,2]=3 90 B9R1.2 N#Cc1cccc(c1)I PI-10114 [1,0,0,0,0,0|0,1,2]=4 91 B9R1.2 NCc1cc(Br)ccn1 PI-39476 [1,0,0,0,0,0|1,1,0]=3 92 B9R1.2 NCc1cccc(Cl)c1 PI-15673 [1,0,0,0,0,0|0,1,0]=2 93 B9R1.2 NCc1cccc(c1)Br PI-21372 [1,0,0,0,0,0|0,1,0]=2 94 B9R1.2 NCc1cccc(c1)Br PI-38545 [1,0,0,0,0,0|0,1,0]=2 95 B9R1.2 NCc1cccc(c1)F PI-23480 [1,0,0,0,0,0|0,0,0]=1 96 B9R1.2 NNc1cccc(Cl)n1 PI-34718 [1,0,0,0,0,0|2,1,0]=4 97 B9R1.2 NNc1cccc(c1)Br PI-29422 [1,0,0,0,0,0|1,1,0]=3 98 B9R1.2 NNc1cccc(c1)C PI-29814 [1,0,0,0,0,0|2,0,0]=3 99 B9R1.2 O=Cc1cccc(c1)Br PI-34503 [1,0,0,0,0,0|1,1,1]=4 100 B9R1.2 O=Cc1cccc(c1)Cl PI-27742 [1,0,0,0,0,0|1,1,1]=4 101 B9R1.2 O=Cc1cccc(c1)F PI-11925 [1,0,0,0,0,0|1,0,1]=3 102 B9R1.2 O=Cc1cccc(c1)N PI-11906 [1,0,0,0,0,0|2,0,1]=4 103 B9R1.2 O=Cc1cccc(c1)O PI-34273 [1,0,0,0,0,0|2,0,1]=4 104 B9R1.2 OCC1=CC(C)=NC=C1 PI-36994 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.2 OCC1=CC(N)=CN=C1 PI-35898 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.2 OCc1cccc(c1)C PI-38620 [1,0,0,0,0,0|2,0,0]=3 107 B9R1.2 OCc1cccc(c1)Cl PI-11919 [1,0,0,0,0,0|1,1,0]=3 108 B9R1.2 SCc1cccc(F)c1 PI-23495 [1,0,0,0,0,0|1,0,0]=2 109 B9R1.2 [C-]#[N+]C1=CC(=CC=C1)Br PI-22496 [1,0,0,0,0,0|1,1,1]=4 110 B9R1.8 BrC#Cc1ccccc1 PI-38808 [1,0,0,0,0,0|1,0,2]=4 111 B9R1.8 C1=CC(=CN=C1)CCO PI-20772 [1,0,0,0,0,0|2,0,0]=3 112 B9R1.8 C1=CC=C(C=C1)C=CBr PI-12915 [1,0,0,0,0,0|1,0,2]=4 113 B9R1.8 C1=CC=C(C=C1)CCS PI-48520 [1,0,0,0,0,0|1,0,0]=2 114 B9R1.8 C1=CC=C(C=C1)CNN PI-12194 [1,0,0,0,0,0|1,0,0]=2 115 B9R1.8 C1=CC=C(C=C1)CNN PI-12195 [1,0,0,0,0,0|1,0,0]=2 116 B9R1.8 C1=CC=C(C=C1)CON PI-48767 [1,0,0,0,0,0|1,0,0]=2 117 B9R1.8 C1=CC=NC(=C1)CCN PI-33890 [1,0,0,0,0,0|1,0,0]=2 118 B9R1.8 C1=CC=[N+](C=C1)CC#N PI-30212 [1,0,0,0,0,0|1,0,2]=4 119 B9R1.8 C1=CN=C(C=N1)CCS PI-48496 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.8 C=CCC1=CC=CC=C1 PI-36465 [1,0,0,0,0,0|1,0,1]=3 121 B9R1.8 CC#CC1=CC=CC=C1 PI-48954 [1,0,0,0,0,0|1,0,2]=4 122 B9R1.8 CCCC1=CC=CC=N1 PI-13326 [1,0,0,0,0,0|2,0,0]=3 123 B9R1.8 CCCC1=CC=NC=C1 PI-28052 [1,0,0,0,0,0|2,0,0]=3 124 B9R1.8 CCC[N+]1=CC=CC=C1 PI-13348 [1,0,0,0,0,0|2,0,0]=3 125 B9R1.8 CCOC1=CC=CC=N1 PI-16377 [1,0,0,0,0,0|3,0,0]=4 126 B9R1.8 CCOC1=CC=NC=C1 PI-16378 [1,0,0,0,0,0|3,0,0]=4 127 B9R1.8 CNCC1=CC=CN=C1 PI-46624 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.8 COCC1=CC=CC=C1 PI-19695 [1,0,0,0,0,0|2,0,0]=3 129 B9R1.8 COCc1ccccn1 PI-38670 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.8 C\C=C\C1=CC=CC=C1 PI-42685 [1,0,0,0,0,0|1,0,2]=4 131 B9R1.8 C\C=C\C1=CC=CC=C1 PI-46536 [1,0,0,0,0,0|1,0,2]=4 132 B9R1.8 N#CCc1ccccn1 PI-16690 [1,0,0,0,0,0|1,0,2]=4 133 B9R1.8 N#CCc1cccnc1 PI-32834 [1,0,0,0,0,0|1,0,2]=4 134 B9R1.8 N#CCc1ccncc1 PI-10376 [1,0,0,0,0,0|1,0,2]=4 135 B9R1.8 NCCc1cccnc1 PI-23439 [1,0,0,0,0,0|1,0,0]=2 136 B9R1.8 NCCc1ccncc1 PI-15907 [1,0,0,0,0,0|1,0,0]=2 137 B9R1.8 NOCc1ccccc1 PI-11329 [1,0,0,0,0,0|1,0,0]=2 138 B9R1.8 OCCC1=CC=NC=C1 PI-27680 [1,0,0,0,0,0|2,0,0]=3 139 B9R1.8 ONCC1=CC=CC=C1 PI-42266 [1,0,0,0,0,0|2,0,0]=3 140 B11R1.13 C1=CC(=C(C(=C1)Cl)Cl)CC#N PI-16138 [0,1,0,0,0,0|0,1,2]=4 141 B11R1.13 C1=CC(=C(C(=C1)F)F)CC#N PI-33129 [0,1,0,0,0,0|0,0,2]=3 142 B11R1.13 CCOC1=C(C(=CC=C1)F)F PI-21166 [0,1,0,0,0,0|2,0,0]=3 143 B11R1.13 Cc1c(cccc1F)N=C=S PI-23770 [0,1,0,0,0,0|2,0,1]=4 144 B11R1.23 BrCC(=O)c1cccc(Br)c1 PI-22228 [0,1,0,0,0,0|1,1,1]=4 145 B11R1.23 C1=CC(=CC(=C1)Br)C(=O)NN PI-20531 [0,1,0,0,0,0|1,1,1]=4 146 B11R1.23 C1=CC(=CC(=C1)Br)C(CN)O PI-36568 [0,1,0,0,0,0|0,1,0]=2 147 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)CBr PI-20200 [0,1,0,0,0,0|1,1,1]=4 148 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)CCl PI-32569 [0,1,0,0,0,0|1,1,1]=4 149 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)NN PI-23137 [0,1,0,0,0,0|1,1,1]=4 150 B11R1.23 C1=CC(=CC(=C1)F)C(=O)CBr PI-31564 [0,1,0,0,0,0|1,0,1]=3 151 B11R1.23 C1=CC(=CC(=C1)F)C(=O)NN PI-23455 [0,1,0,0,0,0|1,0,1]=3 152 B11R1.23 C1=CC(=CC(=C1)I)C(=O)NN PI-50336 [0,1,0,0,0,0|1,1,1]=4 153 B11R1.23 C1=CC(=CC(=C1)N)C(=O)NN PI-30136 [0,1,0,0,0,0|2,0,1]=4 154 B11R1.23 C1=CC(=CC(=C1)O)C(CN)O PI-41192 [0,1,0,0,0,0|1,0,0]=2 155 B11R1.23 CC1=CC(=CC=C1)C(=O)NN PI-24087 [0,1,0,0,0,0|2,0,1]=4 156 B11R1.23 CCC(=O)C1=CC(=CC=C1)F PI-28550 [0,1,0,0,0,0|1,0,1]=3 157 B11R1.23 CCC(=O)C1=CC(=CC=C1)O PI-17471 [0,1,0,0,0,0|2,0,1]=4 158 B11R1.23 CCC(=O)c1cccc(c1)Cl PI-13415 [0,1,0,0,0,0|1,1,1]=4 159 B11R1.23 CCN(C1=CC=CC(=C1)C)N PI-30000 [0,1,0,0,0,0|3,0,0]=4 160 B11R1.23 COC(=O)C1=CC(=CC=C1)F PI-34142 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.23 FC1=CC([C@H](N)CO)=CC=C1 PI-46646 [0,1,0,0,0,0|1,0,0]=2 162 B11R1.24 C1=CC(=CC(=C1)Br)C#CCO PI-14511 [0,1,0,0,0,0|1,1,1]=4 163 B11R1.24 C1=CC(=CC(=C1)Cl)C#CCO PI-20217 [0,1,0,0,0,0|1,1,1]=4 164 B11R1.24 C1=CC(=CC(=C1)Cl)CN=C=S PI-23617 [0,1,0,0,0,0|1,1,1]=4 165 B11R1.24 C1=CC(=CC(=C1)F)CN=C=S PI-23492 [0,1,0,0,0,0|1,0,1]=3 166 B11R1.24 CC1=CC(=CC=C1)CN=C=O PI-11438 [0,1,0,0,0,0|2,0,1]=4 167 B11R1.24 COCOC1=CC(=CC=C1)Br PI-43270 [0,1,0,0,0,0|2,1,0]=4 168 B11R1.24 N#CCCc1cccc(c1)Br PI-22540 [0,1,0,0,0,0|0,1,1]=3 169 B11R1.24 O=C=NCc1cccc(c1)F PI-26032 [0,1,0,0,0,0|1,0,1]=3 170 B11R1.24 O=C\C=C\C1=CC=CC(F)=C1 PI-46535 [0,1,0,0,0,0|1,0,2]=4 171 B11R1.24 OCCSc1cccc(C)c1 PI-24821 [0,1,0,0,0,0|2,0,0]=3 172 B11R1.34 C1=C(C=C(C=C1F)F)CC#N PI-13396 [0,1,0,0,0,0|0,0,2]=3 173 B11R1.34 C1=C(C=C(C=C1F)F)N=C=O PI-26935 [0,1,0,0,0,0|2,0,1]=4 174 B11R1.157 C1=CC(=CC(=C1)Br)CC(=O)O PI-22281 [0,1,0,0,0,0|1,1,1]=4 175 B11R1.157 C1=CC(=CC(=C1)Cl)CC(=O)O PI-16021 [0,1,0,0,0,0|1,1,1]=4 176 B11R1.157 C1=CC(=CC(=C1)Cl)N=C(N)N PI-47259 [0,1,0,0,0,0|1,1,1]=4 177 B11R1.157 C1=CC(=CC(=C1)I)CC(=O)O PI-30249 [0,1,0,0,0,0|1,1,1]=4 178 B11R1.157 C1=CC(=CC(=C1)OC(F)F)N PI-21175 [0,1,0,0,0,0|3,0,0]=4 179 B11R1.157 CC(=O)Cc1cccc(c1)Br PI-38558 [0,1,0,0,0,0|1,1,1]=4 180 B11R1.157 CC(=O)NC1=CC(=CC=C1)F PI-23433 [0,1,0,0,0,0|2,0,1]=4 181 B11R1.157 CC(=O)OC1=CC(=CC=C1)F PI-26855 [0,1,0,0,0,0|2,0,1]=4 182 B11R1.157 CC(C)OC1=CC(=CC=C1)Br PI-31927 [0,1,0,0,0,0|2,1,0]=4 183 B11R1.157 CC(C)OC1=CC=CC(=C1)N PI-33132 [0,1,0,0,0,0|3,0,0]=4 184 B11R1.157 CC1=CC(=CC=C1)NC(=S)N PI-24525 [0,1,0,0,0,0|2,0,1]=4 185 B11R1.157 CN(C)CC1=CC(=CC=C1)Br PI-47270 [0,1,0,0,0,0|2,1,0]=4 186 B11R1.157 NC(=S)Nc1cccc(c1)Br PI-22566 [0,1,0,0,0,0|1,1,1]=4 187 B11R1.157 NC(=S)Nc1cccc(c1)Cl PI-40813 [0,1,0,0,0,0|1,1,1]=4 188 B11R1.157 OC(=O)Cc1cccc(c1)F PI-16930 [0,1,0,0,0,0|1,0,1]=3 189 B11R1.157 OC(=O)Cc1cccc(c1)N PI-31063 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.157 OC(=O)Cc1cccc(c1)O PI-11931 [0,1,0,0,0,0|2,0,1]=4 191 B11R1.182 C1=CC(=C(C=C1Cl)CC#N)Cl PI-35239 [0,1,0,0,0,0|0,1,2]=4 192 B11R1.182 C1=CC(=C(C=C1F)N=C=O)F PI-21226 [0,1,0,0,0,0|2,0,1]=4 193 B11R1.182 CC1=C(C=C(C=C1)F)N=C=S PI-23774 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.182 CC1=CC(=C(C=C1)C)CCN PI-23899 [0,1,0,0,0,0|1,0,0]=2 195 B11R1.182 CCOC1=C(C=CC(=C1)N)Br PI-16386 [0,1,0,0,0,0|3,0,0]=4 196 B11R1.182 Cc1ccc(F)cc1CC#N PI-23764 [0,1,0,0,0,0|0,0,2]=3 197 B11R1.182 Cc1ccc(O)cc1NCC PI-11924 [0,1,0,0,0,0|3,0,0]=4 198 B11R1.182 FC1=C(CC#N)C=C(Cl)C=C1 PI-40312 [0,1,0,0,0,0|0,1,2]=4 199 B11R1.182 Fc1ccc(cc1CC#N)F PI-28764 [0,1,0,0,0,0|0,0,2]=3 200 B11R1.189 CCCC1=CC(=CC=C1)NN PI-29461 [0,1,0,0,0,0|2,0,0]=3 201 B11R1.189 CCOC1=CC=CC(=C1)C=O PI-27357 [0,1,0,0,0,0|3,0,0]=4 202 B11R1.189 N#CCc1cccc(c1)OC PI-11344 [0,1,0,0,0,0|1,0,2]=4 203 B11R1.189 NCCc1cccc(OC)c1 PI-31712 [0,1,0,0,0,0|1,0,0]=2 204 B11R1.192 C1=C(C=CC(=C1Cl)Cl)CC#N PI-11885 [0,1,0,0,0,0|0,1,2]=4 205 B11R1.192 C1=CC(=C(C=C1CC#N)Cl)F PI-44993 [0,1,0,0,0,0|0,1,2]=4 206 B11R1.192 C1=CC(=C(C=C1CC#N)F)F PI-28733 [0,1,0,0,0,0|0,0,2]=3 207 B11R1.192 C1=CC(=C(C=C1CCO)O)O PI-27061 [0,1,0,0,0,0|2,0,0]=3 208 B11R1.192 C=CCC1=CC(=C(C=C1)O)O PI-41465 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.192 C=CCc1ccc(F)c(C)c1 PI-23775 [0,1,0,0,0,0|2,0,1]=4 210 B11R1.192 CCOC1=CC(=C(C=C1)N)N PI-13551 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.192 N#CCc1ccc(C)c(F)c1 PI-23763 [0,1,0,0,0,0|0,0,2]=3 212 B11R1.192 NCCc1ccc(c(c1)C)C PI-23900 [0,1,0,0,0,0|1,0,0]=2 213 B11R1.192 S=C=Nc1ccc(Br)c(F)c1 PI-21485 [0,1,0,0,0,0|2,0,1]=4 214 B11R2.35 C1C(O1)C2=CC(=CC=C2)Cl PI-35811 [0,0,0,1,0,0|1,1,0]=3 215 B11R2.35 Clc1cccc(c1)[C@@H]2CO2 PI-10846 [0,0,0,1,0,0|1,1,0]=3 216 B11R2.36 Brc1ccc2[nH]ccc2c1 PI-20323 [0,0,0,1,0,0|0,1,2]=4 217 B11R2.36 Brc1ccc2c(c1)CCN2 PI-11096 [0,0,0,1,0,0|0,1,0]=2 218 B11R2.36 Brc1cnc2c(c1)CCC2 PI-39405 [0,0,0,1,0,0|2,1,0]=4 219 B11R2.36 C1=C2C(=CC=C1C)[NH]C=C2 PI-10262 [0,0,0,1,0,0|1,0,2]=4 220 B11R2.36 C1=CC(=CC2=C1C=CN2)F PI-10018 [0,0,0,1,0,0|2,0,1]=4 221 B11R2.36 C1=CC2=C(C=C1Br)C=NN2 PI-34641 [0,0,0,1,0,0|1,1,1]=4 222 B11R2.36 C1=CC2=C(C=C1Cl)C=NN2 PI-34938 [0,0,0,1,0,0|1,1,1]=4 223 B11R2.36 C1=CC2=C(C=C1F)C=NN2 PI-34939 [0,0,0,1,0,0|1,0,1]=3 224 B11R2.36 C1=CC2=C(C=C1F)N=CS2 PI-45368 [0,0,0,1,0,0|2,0,1]=4 225 B11R2.36 C1=CC2=C(C=C1F)NC=N2 PI-45215 [0,0,0,1,0,0|1,0,2]=4 226 B11R2.36 C1=CC2=C(C=C1F)NN=C2 PI-34959 [0,0,0,1,0,0|3,0,0]=4 227 B11R2.36 C1=CC2=C(C=C1F)SC=N2 PI-45369 [0,0,0,1,0,0|1,0,2]=4 228 B11R2.36 C1=CC2=C(C=C1N)C=NN2 PI-17683 [0,0,0,1,0,0|2,0,1]=4 229 B11R2.36 C1=CC2=C(C=C1O)C=NN2 PI-44936 [0,0,0,1,0,0|2,0,1]=4 230 B11R2.36 C1=CC2=C(C=CN2)C=C1F PI-10017 [0,0,0,1,0,0|0,0,2]=3 231 B11R2.36 C1CC2=C(C1)C=C(C=C2)N PI-17685 [0,0,0,1,0,0|2,0,0]=3 232 B11R2.36 C1CNC2=C1C=C(C=C2)Cl PI-11098 [0,0,0,1,0,0|0,1,0]=2 233 B11R2.36 C1CNC2=C1C=C(C=C2)O PI-36194 [0,0,0,1,0,0|1,0,0]=2 234 B11R2.36 C1CNC2=C1C=CC(=C2)Br PI-36067 [0,0,0,1,0,0|2,1,0]=4 235 B11R2.36 C1COC2=C1C=C(C=C2)Br PI-21650 [0,0,0,1,0,0|1,1,0]=3 236 B11R2.36 C1OC2=C(O1)C=C(C=C2)Cl PI-30880 [0,0,0,1,0,0|2,1,0]=4 237 B11R2.36 C1OC2=C(O1)C=C(C=C2)N PI-12185 [0,0,0,1,0,0|3,0,0]=4 238 B11R2.36 CC1=CC=C2[NH]N=CC2=C1 PI-41809 [0,0,0,1,0,0|2,0,1]=4 239 B11R2.36 Clc1ccc2CCNc2c1 PI-36115 [0,0,0,1,0,0|2,1,0]=4 240 B11R2.36 Clc1ccc2c(c1)cc[nH]2 PI-10008 [0,0,0,1,0,0|0,1,2]=4 241 B11R2.36 Fc1ccc2c(c1)nsn2 PI-23462 [0,0,0,1,0,0|2,0,1]=4 242 B11R2.36 IC1=CC=C2[NH]N=CC2=C1 PI-34940 [0,0,0,1,0,0|1,1,1]=4 243 B11R2.36 Ic1ccc2[nH]ccc2c1 PI-29169 [0,0,0,1,0,0|0,1,2]=4 244 B11R2.36 Nc1ccc2c(c1)cc[nH]2 PI-16447 [0,0,0,1,0,0|1,0,2]=4 245 B11R2.36 Oc1ccc2[nH]ccc2c1 PI-10314 [0,0,0,1,0,0|1,0,2]=4 246 B11R2.36 Oc1ccc2c(c1)OCO2 PI-15354 [0,0,0,1,0,0|3,0,0]=4 247 B11R2.36 SC1=CC=C2OCOC2=C1 PI-42647 [0,0,0,1,0,0|3,0,0]=4 248 B11R2.106 Brc1cccc2CCNc12 PI-35985 [0,0,0,1,0,0|0,1,0]=2 249 B11R2.106 C1=CC(=C2C(=C1)SC=N2)F PI-45367 [0,0,0,1,0,0|1,0,2]=4 250 B11R2.106 C1=CC2=C(C(=C1)Br)NC=C2 PI-10577 [0,0,0,1,0,0|0,1,2]=4 251 B11R2.106 C1=CC2=C(C(=C1)Br)NN=C2 PI-34894 [0,0,0,1,0,0|1,1,1]=4 252 B11R2.106 C1=CC2=C(C(=C1)Cl)NC=C2 PI-16827 [0,0,0,1,0,0|0,1,2]=4 253 B11R2.106 C1=CC2=C(C(=C1)Cl)NN=C2 PI-34897 [0,0,0,1,0,0|1,1,1]=4 254 B11R2.106 C1=CC2=C(C(=C1)O)NC=C2 PI-11104 [0,0,0,1,0,0|1,0,2]=4 255 B11R2.106 C1=CC2=C(C(=C1)O)NN=C2 PI-34910 [0,0,0,1,0,0|2,0,1]=4 256 B11R2.106 C1=CC2=C(C=CN2)C(=C1)F PI-16506 [0,0,0,1,0,0|2,0,1]=4 257 B11R2.106 C1=CC2=C(C=NN2)C(=C1)F PI-34923 [0,0,0,1,0,0|3,0,0]=4 258 B11R2.106 C1C2=C(CS1)C(=CC=C2)Br PI-48436 [0,0,0,1,0,0|2,1,0]=4 259 B11R2.106 C1CNC2=C1C(=CC=C2)Br PI-36066 [0,0,0,1,0,0|2,1,0]=4 260 B11R2.106 C1CNC2=C1C(=CC=C2)Cl PI-11092 [0,0,0,1,0,0|2,1,0]=4 261 B11R2.106 CC1=C2CNCC2=CC=C1 PI-36193 [0,0,0,1,0,0|3,0,0]=4 262 B11R2.106 Cc1cccc2c1NCC2 PI-38356 [0,0,0,1,0,0|1,0,0]=2 263 B11R2.106 Cc1cccc2c1[nH]cc2 PI-16266 [0,0,0,1,0,0|1,0,2]=4 264 B11R2.106 Cc1cccc2c1[nH]cn2 PI-38923 [0,0,0,1,0,0|2,0,1]=4 265 B11R2.106 Fc1cccc2c1[nH]cc2 PI-16457 [0,0,0,1,0,0|0,0,2]=3 266 B8R1.2 BrCC1=CC=CC=C1 PI-36476 [2,0,0,0,0,0|1,0,0]=3 267 B8R1.2 C#CC1=CC=CC=C1 PI-48958 [2,0,0,0,0,0|0,0,2]=4 268 B8R1.2 C1=C(N=CC=N1)CN PI-42651 [2,0,0,0,0,0|2,0,0]=4 269 B8R1.2 C1=CC(=CN=C1)CCl PI-16717 [2,0,0,0,0,0|2,0,0]=4 270 B8R1.2 C1=CC(=CN=C1)NN PI-39291 [2,0,0,0,0,0|2,0,0]=4 271 B8R1.2 C1=CC=NC(=C1)NN PI-46991 [2,0,0,0,0,0|2,0,0]=4 272 B8R1.2 C1=CC=NC(=C1)NN PI-50652 [2,0,0,0,0,0|2,0,0]=4 273 B8R1.2 C1=CN=CC=C1CCl PI-31734 [2,0,0,0,0,0|2,0,0]=4 274 B8R1.2 C1=CN=CC=C1CO PI-16744 [2,0,0,0,0,0|2,0,0]=4 275 B8R1.2 CCC1=CC=CC=N1 PI-49466 [2,0,0,0,0,0|1,0,0]=3 276 B8R1.2 CCC1=NC=CN=C1 PI-11040 [2,0,0,0,0,0|2,0,0]=4 277 B8R1.2 CC[N+]1=CC=CC=C1 PI-13342 [2,0,0,0,0,0|1,0,0]=3 278 B8R1.2 CC[N+]1=CC=CC=C1 PI-13347 [2,0,0,0,0,0|1,0,0]=3 279 B8R1.2 CNC1=CC=CC=N1 PI-11864 [2,0,0,0,0,0|2,0,0]=4 280 B8R1.2 CNC1=CC=NC=C1 PI-23603 [2,0,0,0,0,0|2,0,0]=4 281 B8R1.2 CNC1=CN=CC=C1 PI-11328 [2,0,0,0,0,0|2,0,0]=4 282 B8R1.2 COC1=CC=CC=N1 PI-33887 [2,0,0,0,0,0|2,0,0]=4 283 B8R1.2 COC1=CC=NC=C1 PI-10034 [2,0,0,0,0,0|2,0,0]=4 284 B8R1.2 COC1=CN=CC=C1 PI-33889 [2,0,0,0,0,0|2,0,0]=4 285 B8R1.2 CSC1=CC=CC=N1 PI-16757 [2,0,0,0,0,0|2,0,0]=4 286 B8R1.2 ClCC1=NC=CC=C1 PI-11827 [2,0,0,0,0,0|2,0,0]=4 287 B8R1.2 ClCc1ccccn1 PI-16716 [2,0,0,0,0,0|2,0,0]=4 288 B8R1.2 NCC1=CC=CC=C1 PI-37209 [2,0,0,0,0,0|0,0,0]=2 289 B8R1.2 NCC1=CC=NC=C1 PI-41875 [2,0,0,0,0,0|1,0,0]=3 290 B8R1.2 NCc1ccccn1 PI-33905 [2,0,0,0,0,0|1,0,0]=3 291 B8R1.2 NCc1cccnc1 PI-15236 [2,0,0,0,0,0|1,0,0]=3 292 B8R1.2 NCc1ccncc1 PI-31790 [2,0,0,0,0,0|1,0,0]=3 293 B8R1.2 NCc1ncccn1 PI-34855 [2,0,0,0,0,0|2,0,0]=4 294 B8R1.2 NCc1ncccn1 PI-34856 [2,0,0,0,0,0|2,0,0]=4 295 B8R1.2 NNC1=CC=CC=C1 PI-41551 [2,0,0,0,0,0|1,0,0]=3 296 B8R1.2 OCC1=CC=CN=C1 PI-11019 [2,0,0,0,0,0|2,0,0]=4 297 B8R1.2 OCC1=NC=CC=C1 PI-16261 [2,0,0,0,0,0|2,0,0]=4 298 B8R1.2 OCc1ccncc1 PI-16686 [2,0,0,0,0,0|2,0,0]=4 299 B8R1.2 ONc1ccccc1 PI-38448 [2,0,0,0,0,0|2,0,0]=4 300 B8R1.2 [C-]#CC1=CC=CC=C1 PI-48435 [2,0,0,0,0,0|0,0,2]=4 301 B8R1.4 Brc1cccc(I)c1 PI-21524 [2,0,0,0,0,0|1,1,0]=4 302 B8R1.4 Brc1cccc(c1)Br PI-11676 [2,0,0,0,0,0|1,1,0]=4 303 B8R1.4 Brc1ccnc(c1)C PI-32240 [2,0,0,0,0,0|1,1,0]=4 304 B8R1.4 Brc1ccnc(c1)N PI-35022 [2,0,0,0,0,0|1,1,0]=4 305 B8R1.4 C1=C(C=NC=C1Br)F PI-10088 [2,0,0,0,0,0|2,0,0]=4 306 B8R1.4 C1=C(C=NC=C1Br)N PI-10515 [2,0,0,0,0,0|1,1,0]=4 307 B8R1.4 C1=C(C=NC=C1Cl)F PI-34439 [2,0,0,0,0,0|2,0,0]=4 308 B8R1.4 C1=CC(=CC(=C1)Br)F PI-12279 [2,0,0,0,0,0|1,0,0]=3 309 B8R1.4 C1=CC(=CC(=C1)Br)S PI-15584 [2,0,0,0,0,0|1,1,0]=4 310 B8R1.4 C1=CC(=CC(=C1)F)O PI-16947 [2,0,0,0,0,0|1,0,0]=3 311 B8R1.4 C1=CC(=CC(=C1)I)F PI-12350 [2,0,0,0,0,0|1,0,0]=3 312 B8R1.4 C1=CC(=CC(=C1)I)N PI-41422 [2,0,0,0,0,0|0,1,0]=3 313 B8R1.4 C1=CC(=NC(=C1)Br)F PI-33061 [2,0,0,0,0,0|2,0,0]=4 314 B8R1.4 C1=CC(=NC(=C1)Br)N PI-14243 [2,0,0,0,0,0|1,1,0]=4 315 B8R1.4 C1=CC(=NC(=C1)Cl)F PI-34440 [2,0,0,0,0,0|2,0,0]=4 316 B8R1.4 C1=CC(=O)NC(=C1)N PI-28596 [2,0,0,0,0,0|2,0,0]=4 317 B8R1.4 C1=CN=C(C=C1Br)F PI-24079 [2,0,0,0,0,0|2,0,0]=4 318 B8R1.4 C1=CN=C(C=C1F)F PI-40869 [2,0,0,0,0,0|2,0,0]=4 319 B8R1.4 C1=CN=C(N=C1N)F PI-45161 [2,0,0,0,0,0|2,0,0]=4 320 B8R1.4 C1=CNC(=O)C=C1N PI-34824 [2,0,0,0,0,0|2,0,0]=4 321 B8R1.4 CC1=CC(=CC=C1)I PI-10981 [2,0,0,0,0,0|0,1,0]=3 322 B8R1.4 CC1=CC(=CN=C1)Br PI-27499 [2,0,0,0,0,0|1,1,0]=4 323 B8R1.4 CC1=CC(=CN=C1)F PI-16772 [2,0,0,0,0,0|1,0,0]=3 324 B8R1.4 CC1=CC(=NC=C1)Br PI-10385 [2,0,0,0,0,0|1,1,0]=4 325 B8R1.4 CC1=CC(=NC=C1)Cl PI-16626 [2,0,0,0,0,0|1,1,0]=4 326 B8R1.4 CC1=CC=CC(=O)N1 PI-16688 [2,0,0,0,0,0|2,0,0]=4 327 B8R1.4 CC1=C[N+](=CC=C1)[O-] PI-33810 [2,0,0,0,0,0|2,0,0]=4 328 B8R1.4 CC1=NC(=CC=C1)Br PI-23524 [2,0,0,0,0,0|1,1,0]=4 329 B8R1.4 CC1=NC=CC(=C1)N PI-13314 [2,0,0,0,0,0|2,0,0]=4 330 B8R1.4 Cc1cccc(N)n1 PI-32836 [2,0,0,0,0,0|2,0,0]=4 331 B8R1.4 Cc1cccc(n1)Cl PI-28225 [2,0,0,0,0,0|1,1,0]=4 332 B8R1.4 Cc1cccc(n1)F PI-16770 [2,0,0,0,0,0|1,0,0]=3 333 B8R1.4 Cc1ccnc(N)c1 PI-32462 [2,0,0,0,0,0|2,0,0]=4 334 B8R1.4 Cc1ccnc(c1)F PI-23598 [2,0,0,0,0,0|1,0,0]=3 335 B8R1.4 Clc1cccc(c1)I PI-39251 [2,0,0,0,0,0|1,1,0]=4 336 B8R1.4 Clc1ccnc(c1)N PI-11783 [2,0,0,0,0,0|1,1,0]=4 337 B8R1.4 FC1=CC(=CN=C1)O PI-40460 [2,0,0,0,0,0|2,0,0]=4 338 B8R1.4 Fc1cccc(Cl)c1 PI-33064 [2,0,0,0,0,0|1,0,0]=3 339 B8R1.4 Fc1cccc(c1)F PI-11677 [2,0,0,0,0,0|1,0,0]=3 340 B8R1.4 Fc1cccc(c1)S PI-16910 [2,0,0,0,0,0|1,0,0]=3 341 B8R1.4 Fc1cccc(n1)F PI-11766 [2,0,0,0,0,0|2,0,0]=4 342 B8R1.4 Fc1ccnc(Cl)c1 PI-16761 [2,0,0,0,0,0|2,0,0]=4 343 B8R1.4 Fc1ccnc(c1)Br PI-34451 [2,0,0,0,0,0|2,0,0]=4 344 B8R1.4 Fc1cncc(c1)F PI-33060 [2,0,0,0,0,0|2,0,0]=4 345 B8R1.4 Ic1ccnc(N)c1 PI-36261 [2,0,0,0,0,0|1,1,0]=4 346 B8R1.4 Ic1ccnc(c1)F PI-34431 [2,0,0,0,0,0|2,0,0]=4 347 B8R1.4 NC1=CC(=CN=C1)F PI-40469 [2,0,0,0,0,0|1,0,0]=3 348 B8R1.4 NC1=CC(N)=NC=C1 PI-37257 [2,0,0,0,0,0|2,0,0]=4 349 B8R1.4 NC1=NC=CC(=C1)F PI-39567 [2,0,0,0,0,0|1,0,0]=3 350 B8R1.4 Nc1cccc(F)c1 PI-16946 [2,0,0,0,0,0|0,0,0]=2 351 B8R1.4 Nc1cccc(F)n1 PI-15934 [2,0,0,0,0,0|1,0,0]=3 352 B8R1.4 Nc1cccc(N)n1 PI-33126 [2,0,0,0,0,0|2,0,0]=4 353 B8R1.4 Nc1cccc(S)c1 PI-21351 [2,0,0,0,0,0|1,0,0]=3 354 B8R1.4 Nc1cccc(n1)Cl PI-27605 [2,0,0,0,0,0|1,1,0]=4 355 B8R1.4 Nc1ccnc(c1)Br PI-23436 [2,0,0,0,0,0|1,1,0]=4 356 B8R1.4 Nc1ccnc(c1)Cl PI-23438 [2,0,0,0,0,0|1,1,0]=4 357 B8R1.4 OC1=NC=CC(C)=C1 PI-28120 [2,0,0,0,0,0|2,0,0]=4 358 B8R1.4 Oc1cccc(c1)I PI-10955 [2,0,0,0,0,0|1,1,0]=4 359 B8R1.4 Oc1cccc(c1)S PI-21360 [2,0,0,0,0,0|2,0,0]=4 360 B8R1.4 Oc1ccnc(c1)N PI-34188 [2,0,0,0,0,0|2,0,0]=4 361 B8R1.4 Sc1cccc(Cl)c1 PI-11010 [2,0,0,0,0,0|1,1,0]=4 362 B8R1.4 [O-][n+]1cccc(F)c1 PI-33008 [2,0,0,0,0,0|2,0,0]=4 363 B10R1.2 C1=CC(=C(C(=C1)Cl)F)CBr PI-28865 [1,1,0,0,0,0|1,1,0]=4 364 B10R1.2 C1=CC(=C(C(=C1)Cl)F)NN PI-10632 [1,1,0,0,0,0|1,1,0]=4 365 B10R1.2 C1=CC(=C(C(=C1)F)Br)C#N PI-10685 [1,1,0,0,0,0|0,0,2]=4 366 B10R1.2 C1=CC(=C(C(=C1)F)Cl)C#N PI-10693 [1,1,0,0,0,0|0,0,2]=4 367 B10R1.2 C1=CC(=C(C(=C1)F)Cl)C=O PI-28939 [1,1,0,0,0,0|1,0,1]=4 368 B10R1.2 C1=CC(=C(C(=C1)F)F)C#N PI-28273 [1,1,0,0,0,0|0,0,2]=4 369 B10R1.2 C1=CC(=C(C(=C1)F)F)C=O PI-28322 [1,1,0,0,0,0|1,0,1]=4 370 B10R1.2 C1=CC(=C(C(=C1)F)F)CBr PI-28061 [1,1,0,0,0,0|1,0,0]=3 371 B10R1.2 C1=CC(=C(C(=C1)F)F)CN PI-21148 [1,1,0,0,0,0|0,0,0]=2 372 B10R1.2 C1=CC(=C(C(=C1)F)F)CO PI-21147 [1,1,0,0,0,0|1,0,0]=3 373 B10R1.2 C1=CC(=C(C(=C1)F)N)C#N PI-10681 [1,1,0,0,0,0|0,0,2]=4 374 B10R1.2 C1=CC(=C(C(=C1)F)O)C=O PI-18520 [1,1,0,0,0,0|1,0,1]=4 375 B10R1.2 CC1=C(C(=CC=C1)CBr)C PI-19918 [1,1,0,0,0,0|2,0,0]=4 376 B10R1.2 CC1=C(C(=CC=C1)CBr)F PI-23752 [1,1,0,0,0,0|2,0,0]=4 377 B10R1.2 CC1=C(C(=CC=C1)NN)C PI-29705 [1,1,0,0,0,0|2,0,0]=4 378 B10R1.2 CC1=C(C(=CC=C1)OC)C PI-33340 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.2 CC1=C(C=CC=C1Cl)OC PI-19448 [1,1,0,0,0,0|1,1,0]=4 380 B10R1.2 CC1=C(C=CC=C1F)C=O PI-28157 [1,1,0,0,0,0|1,0,1]=4 381 B10R1.2 CC1=C(C=CC=C1N)CO PI-44883 [1,1,0,0,0,0|2,0,0]=4 382 B10R1.2 CC1=C(C=CC=C1N)CO PI-44908 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.2 CC1=C(C=CC=C1OC)N PI-19271 [1,1,0,0,0,0|2,0,0]=4 384 B10R1.2 CCC1=CC=CC(=C1N)C PI-34080 [1,1,0,0,0,0|1,0,0]=3 385 B10R1.2 COC1=C(C(=CC=C1)F)Br PI-34352 [1,1,0,0,0,0|1,0,0]=3 386 B10R1.2 COC1=C(C(=CC=C1)F)F PI-28119 [1,1,0,0,0,0|1,0,0]=3 387 B10R1.2 COC1=CC=CC(=C1Cl)N PI-34739 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.2 COc1cccc(O)c1Br PI-34766 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.2 COc1cccc(c1N)O PI-38206 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.2 COc1cccc(c1O)O PI-19986 [1,1,0,0,0,0|2,0,0]=4 391 B10R1.2 CSC1=C(C)C(Cl)=CC=C1 PI-39859 [1,1,0,0,0,0|1,1,0]=4 392 B10R1.2 FC1=C(Cl)C(CBr)=CC=C1 PI-39696 [1,1,0,0,0,0|1,0,0]=3 393 B10R1.2 N#Cc1cccc(c1C)F PI-28230 [1,1,0,0,0,0|0,0,2]=4 394 B10R1.2 N#Cc1cccc(c1I)F PI-10699 [1,1,0,0,0,0|0,0,2]=4 395 B10R1.2 NCC1=CC=CC(F)=C1Br PI-46659 [1,1,0,0,0,0|0,0,0]=2 396 B10R1.2 NCc1cccc(Cl)c1F PI-20073 [1,1,0,0,0,0|0,1,0]=3 397 B10R1.2 NNC1=CC=CC(Cl)=C1Cl PI-21067 [1,1,0,0,0,0|1,1,0]=4 398 B10R1.2 O=CC1=CC=CC(F)=C1Br PI-28928 [1,1,0,0,0,0|1,0,1]=4 399 B10R1.2 O=CC1=CC=CC(F)=C1I PI-28940 [1,1,0,0,0,0|1,0,1]=4 400 B10R1.8 BrCC1=CC(Br)=CC(Br)=C1 PI-30725 [1,1,0,0,0,0|1,1,0]=4 401 B10R1.8 C1=C(C=C(C=C1Br)Br)CO PI-30149 [1,1,0,0,0,0|1,1,0]=4 402 B10R1.8 C1=C(C=C(C=C1Cl)Cl)CN PI-21013 [1,1,0,0,0,0|0,1,0]=3 403 B10R1.8 C1=C(C=C(C=C1Cl)Cl)CO PI-30760 [1,1,0,0,0,0|1,1,0]=4 404 B10R1.8 C1=C(C=C(C=C1Cl)Cl)NN PI-21068 [1,1,0,0,0,0|1,1,0]=4 405 B10R1.8 C1=C(C=C(C=C1F)Br)C=O PI-28238 [1,1,0,0,0,0|1,0,1]=4 406 B10R1.8 C1=C(C=C(C=C1F)Cl)C=O PI-27970 [1,1,0,0,0,0|1,0,1]=4 407 B10R1.8 C1=C(C=C(C=C1F)F)CBr PI-16885 [1,1,0,0,0,0|1,0,0]=3 408 B10R1.8 C1=C(C=C(C=C1F)F)CN PI-33740 [1,1,0,0,0,0|0,0,0]=2 409 B10R1.8 C1=C(C=C(C=C1F)F)NN PI-10425 [1,1,0,0,0,0|1,0,0]=3 410 B10R1.8 C1=C(C=C(C=C1F)F)NN PI-50548 [1,1,0,0,0,0|1,0,0]=3 411 B10R1.8 CC1=CC(=CC(=C1)Br)OC PI-19403 [1,1,0,0,0,0|1,1,0]=4 412 B10R1.8 CC1=CC(=CC(=C1)CBr)C PI-24287 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.8 CC1=CC(=CC(=C1)CN)C PI-21942 [1,1,0,0,0,0|1,0,0]=3 414 B10R1.8 CC1=CC(=CC(=C1)F)C#N PI-10708 [1,1,0,0,0,0|0,0,2]=4 415 B10R1.8 CC1=CC(=CC(=C1)NN)C PI-21975 [1,1,0,0,0,0|2,0,0]=4 416 B10R1.8 COC1=CC(=CC(=C1)Br)Br PI-19875 [1,1,0,0,0,0|1,1,0]=4 417 B10R1.8 COC1=CC(=CC(=C1)Cl)F PI-20056 [1,1,0,0,0,0|1,0,0]=3 418 B10R1.8 COC1=CC(Cl)=CC(Br)=C1 PI-41830 [1,1,0,0,0,0|1,1,0]=4 419 B10R1.8 COc1cc(C)cc(c1)C PI-34203 [1,1,0,0,0,0|2,0,0]=4 420 B10R1.8 COc1cc(F)cc(F)c1 PI-31329 [1,1,0,0,0,0|1,0,0]=3 421 B10R1.8 COc1cc(F)cc(c1)Br PI-10475 [1,1,0,0,0,0|1,0,0]=3 422 B10R1.8 COc1cc(O)cc(c1)O PI-17720 [1,1,0,0,0,0|2,0,0]=4 423 B10R1.8 CSC1=CC(=CC(=C1)Cl)Cl PI-11896 [1,1,0,0,0,0|1,1,0]=4 424 B10R1.8 ClCc1cc(F)cc(c1)F PI-21151 [1,1,0,0,0,0|1,0,0]=3 425 B10R1.8 N#Cc1cc(F)cc(c1)Br PI-16500 [1,1,0,0,0,0|0,0,2]=4 426 B10R1.8 N#Cc1cc(F)cc(c1)F PI-31253 [1,1,0,0,0,0|0,0,2]=4 427 B10R1.8 N#Cc1cc(N)cc(c1)F PI-15920 [1,1,0,0,0,0|0,0,2]=4 428 B10R1.8 NC1=CC(C)=CC(OC)=C1 PI-37340 [1,1,0,0,0,0|2,0,0]=4 429 B10R1.8 NC1=CC(OC)=CC(Cl)=C1 PI-36641 [1,1,0,0,0,0|1,1,0]=4 430 B10R1.8 NNc1cc(Cl)cc(c1)Cl PI-29563 [1,1,0,0,0,0|1,1,0]=4 431 B10R1.8 O=Cc1cc(C)cc(F)c1 PI-28945 [1,1,0,0,0,0|1,0,1]=4 432 B10R1.8 O=Cc1cc(F)cc(c1)F PI-16921 [1,1,0,0,0,0|1,0,1]=4 433 B10R1.8 OC1=CC(C)=CC(OC)=C1 PI-20801 [1,1,0,0,0,0|2,0,0]=4 434 B10R1.8 OCc1cc(Cl)cc(c1)Br PI-36975 [1,1,0,0,0,0|1,1,0]=4 435 B10R1.8 OCc1cc(F)cc(c1)F PI-31311 [1,1,0,0,0,0|1,0,0]=3 436 B10R1.8 OCc1cc(O)cc(O)c1 PI-31143 [1,1,0,0,0,0|2,0,0]=4 437 B10R1.30 BrC1=C(C=C(C=C1)Cl)OC PI-41885 [1,1,0,0,0,0|1,1,0]=4 438 B10R1.30 BrCc1cc(Cl)ccc1Cl PI-38192 [1,1,0,0,0,0|1,1,0]=4 439 B10R1.30 BrCc1cc(Cl)ccc1F PI-20079 [1,1,0,0,0,0|1,1,0]=4 440 B10R1.30 C1=C(Br)C=CC(=C1CO)O PI-12023 [1,1,0,0,0,0|1,1,0]=4 441 B10R1.30 C1=CC(=C(C=C1Br)CN)N PI-44072 [1,1,0,0,0,0|0,1,0]=3 442 B10R1.30 C1=CC(=C(C=C1Br)CO)F PI-14437 [1,1,0,0,0,0|1,1,0]=4 443 B10R1.30 C1=CC(=C(C=C1Br)CO)N PI-46965 [1,1,0,0,0,0|1,1,0]=4 444 B10R1.30 C1=CC(=C(C=C1Cl)CCl)Cl PI-27419 [1,1,0,0,0,0|1,1,0]=4 445 B10R1.30 C1=CC(=C(C=C1Cl)CO)Cl PI-30501 [1,1,0,0,0,0|1,1,0]=4 446 B10R1.30 C1=CC(=C(C=C1Cl)CO)O PI-12028 [1,1,0,0,0,0|1,1,0]=4 447 B10R1.30 C1=CC(=C(C=C1Cl)NN)Cl PI-29450 [1,1,0,0,0,0|1,1,0]=4 448 B10R1.30 C1=CC(=C(C=C1Cl)NN)Cl PI-29640 [1,1,0,0,0,0|1,1,0]=4 449 B10R1.30 C1=CC(=C(C=C1F)C#N)Cl PI-28660 [1,1,0,0,0,0|0,0,2]=4 450 B10R1.30 C1=CC(=C(C=C1F)C#N)F PI-28715 [1,1,0,0,0,0|0,0,2]=4 451 B10R1.30 C1=CC(=C(C=C1F)C#N)N PI-10682 [1,1,0,0,0,0|0,0,2]=4 452 B10R1.30 C1=CC(=C(C=C1F)C=O)Br PI-28896 [1,1,0,0,0,0|1,0,1]=4 453 B10R1.30 C1=CC(=C(C=C1F)C=O)Cl PI-10456 [1,1,0,0,0,0|1,0,1]=4 454 B10R1.30 C1=CC(=C(C=C1F)C=O)N PI-44253 [1,1,0,0,0,0|1,0,1]=4 455 B10R1.30 C1=CC(=C(C=C1F)C=O)O PI-10579 [1,1,0,0,0,0|1,0,1]=4 456 B10R1.30 C1=CC(=C(C=C1F)CBr)Br PI-14438 [1,1,0,0,0,0|1,0,0]=3 457 B10R1.30 C1=CC(=C(C=C1F)CBr)Cl PI-34130 [1,1,0,0,0,0|1,0,0]=3 458 B10R1.30 C1=CC(=C(C=C1F)CBr)F PI-13390 [1,1,0,0,0,0|1,0,0]=3 459 B10R1.30 C1=CC(=C(C=C1F)CN)F PI-31317 [1,1,0,0,0,0|0,0,0]=2 460 B10R1.30 C1=CC(=C(C=C1F)CO)Br PI-42946 [1,1,0,0,0,0|1,0,0]=3 461 B10R1.30 C1=CC(=C(C=C1F)CO)F PI-33073 [1,1,0,0,0,0|1,0,0]=3 462 B10R1.30 C1=CC(=C(C=C1F)NN)Cl PI-50546 [1,1,0,0,0,0|1,0,0]=3 463 B10R1.30 C1=CC(=C(C=C1F)NN)F PI-10633 [1,1,0,0,0,0|1,0,0]=3 464 B10R1.30 C1=CC(=C(C=C1F)NN)F PI-21223 [1,1,0,0,0,0|1,0,0]=3 465 B10R1.30 C1=CC(=C(C=C1I)CO)Br PI-41207 [1,1,0,0,0,0|1,1,0]=4 466 B10R1.30 CC1=C(C=C(C=C1)Cl)OC PI-10564 [1,1,0,0,0,0|1,1,0]=4 467 B10R1.30 CC1=C(C=C(C=C1)F)C#N PI-28817 [1,1,0,0,0,0|0,0,2]=4 468 B10R1.30 CC1=C(C=C(C=C1)F)C=O PI-10582 [1,1,0,0,0,0|1,0,1]=4 469 B10R1.30 CC1=C(C=C(C=C1)F)CBr PI-23755 [1,1,0,0,0,0|1,0,0]=3 470 B10R1.30 CC1=C(C=C(C=C1)F)NN PI-10636 [1,1,0,0,0,0|1,0,0]=3 471 B10R1.30 CC1=CC(=C(C=C1)C)NN PI-29706 [1,1,0,0,0,0|2,0,0]=4 472 B10R1.30 CC1=CC=C(O)C(CC)=N1 PI-33202 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.30 CCC1=C(C=CC(=C1)O)O PI-19340 [1,1,0,0,0,0|1,0,0]=3 474 B10R1.30 CCc1cc(Br)ccc1I PI-21420 [1,1,0,0,0,0|0,1,0]=3 475 B10R1.30 CNC1=C(C=CC(=C1)F)Br PI-39646 [1,1,0,0,0,0|1,0,0]=3 476 B10R1.30 COC1=C(C=CC(=C1)Br)N PI-44941 [1,1,0,0,0,0|1,1,0]=4 477 B10R1.30 COC1=C(C=CC(=C1)Cl)Cl PI-21000 [1,1,0,0,0,0|1,1,0]=4 478 B10R1.30 COC1=C(C=CC(=C1)Cl)N PI-11332 [1,1,0,0,0,0|1,1,0]=4 479 B10R1.30 COC1=C(C=CC(=C1)F)Br PI-21434 [1,1,0,0,0,0|1,0,0]=3 480 B10R1.30 COC1=C(C=CC(=C1)F)F PI-12727 [1,1,0,0,0,0|1,0,0]=3 481 B10R1.30 COC1=C(C=CC(=C1)N)Br PI-33359 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.30 COC1=C(C=CC(=C1)N)Cl PI-34236 [1,1,0,0,0,0|2,0,0]=4 483 B10R1.30 COC1=C(C=CC(=C1)N)F PI-10622 [1,1,0,0,0,0|2,0,0]=4 484 B10R1.30 COC1=C(O)C=CC(F)=C1 PI-27601 [1,1,0,0,0,0|1,0,0]=3 485 B10R1.30 COc1cc(Br)ccc1Cl PI-14389 [1,1,0,0,0,0|1,1,0]=4 486 B10R1.30 COc1cc(Br)ccc1F PI-34341 [1,1,0,0,0,0|1,1,0]=4 487 B10R1.30 FC1=CC(=C(N)C=C1)OC PI-39749 [1,1,0,0,0,0|1,0,0]=3 488 B10R1.30 N#Cc1cc(F)ccc1Br PI-10686 [1,1,0,0,0,0|0,0,2]=4 489 B10R1.30 NCc1cc(Cl)ccc1F PI-20075 [1,1,0,0,0,0|0,1,0]=3 490 B10R1.30 NNC1=CC(Br)=CC=C1C PI-39726 [1,1,0,0,0,0|1,1,0]=4 491 B10R1.30 O=Cc1cc(F)ccc1F PI-10418 [1,1,0,0,0,0|1,0,1]=4 492 B10R1.30 OC1=CC=C(C)N=C1CC PI-40313 [1,1,0,0,0,0|2,0,0]=4 493 B10R1.30 OCc1cc(Cl)ccc1Br PI-35234 [1,1,0,0,0,0|1,1,0]=4 494 B10R1.113 Brc1cccc(c1)C(=N)N PI-30204 [1,1,0,0,0,0|0,1,1]=4 495 B10R1.113 Brc1cccc(c1)C(N)C PI-34608 [1,1,0,0,0,0|0,1,0]=3 496 B10R1.113 Brc1cccc(c1)[C@@H](N)C PI-34607 [1,1,0,0,0,0|0,1,0]=3 497 B10R1.113 C1=CC(=CC(=C1)Br)C(=S)N PI-22613 [1,1,0,0,0,0|0,1,1]=4 498 B10R1.113 C1=CC(=CC(=C1)Br)C(F)F PI-21635 [1,1,0,0,0,0|1,1,0]=4 499 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)N PI-23129 [1,1,0,0,0,0|0,1,1]=4 500 B10R1.113 C1=CC(=CC(=C1)Cl)C(=S)N PI-15665 [1,1,0,0,0,0|0,1,1]=4 501 B10R1.113 C1=CC(=CC(=C1)Cl)C(Cl)Cl PI-19154 [1,1,0,0,0,0|1,1,0]=4 502 B10R1.113 C1=CC(=CC(=C1)F)C(=O)Cl PI-12124 [1,1,0,0,0,0|1,0,1]=4 503 B10R1.113 C1=CC(=CC(=C1)F)C(=O)O PI-10427 [1,1,0,0,0,0|1,0,1]=4 504 B10R1.113 C1=CC(=CC(=C1)F)C(=O)[O-] PI-28584 [1,1,0,0,0,0|1,0,1]=4 505 B10R1.113 C1=CC(=CC(=C1)F)C(Cl)Cl PI-19546 [1,1,0,0,0,0|1,0,0]=3 506 B10R1.113 CC(=O)C1=CC(=CC=C1)I PI-29141 [1,1,0,0,0,0|0,1,1]=4 507 B10R1.113 CC(C)C1=NC(=CC=C1)Cl PI-31678 [1,1,0,0,0,0|1,1,0]=4 508 B10R1.113 CC(C1=CC(=CC=C1)Br)O PI-19679 [1,1,0,0,0,0|0,1,0]=3 509 B10R1.113 CC(C1=CC(=CC=C1)Cl)O PI-32583 [1,1,0,0,0,0|0,1,0]=3 510 B10R1.113 CC(C1=CC(=CC=C1)F)N PI-34605 [1,1,0,0,0,0|0,0,0]=2 511 B10R1.113 CC(C1=CC(=CC=C1)F)N PI-34606 [1,1,0,0,0,0|0,0,0]=2 512 B10R1.113 CC(C1=CC(=CC=C1)F)O PI-32581 [1,1,0,0,0,0|0,0,0]=2 513 B10R1.113 CC1=CC(=CC=C1)C(=N)N PI-30283 [1,1,0,0,0,0|1,0,1]=4 514 B10R1.113 CC1=CC(=CC=C1)C(=O)C PI-10859 [1,1,0,0,0,0|1,0,1]=4 515 B10R1.113 CC1=CC(=CC=C1)N(C)N PI-29882 [1,1,0,0,0,0|2,0,0]=4 516 B10R1.113 CC1=CC(=CC=C1)[C@@H](C)O PI-49835 [1,1,0,0,0,0|1,0,0]=3 517 B10R1.113 C[C@@H](C1=CC(=CC=C1)Br)O PI-49804 [1,1,0,0,0,0|0,1,0]=3 518 B10R1.113 C[C@@H](O)C1=CC=CC(Br)=C1 PI-37056 [1,1,0,0,0,0|0,1,0]=3 519 B10R1.113 Clc1cccc(c1)[C@@H](N)C PI-34603 [1,1,0,0,0,0|0,1,0]=3 520 B10R1.113 Clc1cccc(c1)[C@H](N)C PI-34604 [1,1,0,0,0,0|0,1,0]=3 521 B10R1.113 Fc1cccc(c1)B(O)O PI-23443 [1,1,0,0,0,0|2,0,0]=4 522 B10R1.113 Fc1cccc(c1)C(=O)C PI-28549 [1,1,0,0,0,0|0,0,1]=3 523 B10R1.113 Fc1cccc(c1)[N+](=O)[O-] PI-16966 [1,1,0,0,0,0|2,0,0]=4 524 B10R1.113 NC(C1=CC=CC(O)=C1)=S PI-20876 [1,1,0,0,0,0|1,0,1]=4 525 B10R1.113 Nc1cccc(c1)C(=O)C PI-32567 [1,1,0,0,0,0|1,0,1]=4 526 B10R1.113 Nc1cccc(c1)C(=O)N PI-30514 [1,1,0,0,0,0|1,0,1]=4 527 B10R1.113 Nc1cccc(c1)N(C)C PI-30522 [1,1,0,0,0,0|2,0,0]=4 528 B10R1.113 Oc1cccc(c1)C(=O)C PI-31363 [1,1,0,0,0,0|1,0,1]=4 529 B10R1.113 Oc1cccc(c1)C(=O)N PI-30785 [1,1,0,0,0,0|1,0,1]=4 530 B10R1.113 S=C(N)C1=CC=CC(C)=C1 PI-19344 [1,1,0,0,0,0|1,0,1]=4 531 B10R1.113 Sc1cccc(c1)N(C)C PI-23411 [1,1,0,0,0,0|2,0,0]=4 532 B10R1.172 BrCC1=CC(CBr)=CC=C1 PI-32198 [1,1,0,0,0,0|1,1,0]=4 533 B10R1.172 BrCc1cccc(C=O)c1 PI-26927 [1,1,0,0,0,0|2,0,0]=4 534 B10R1.172 C1=CC(=CC(=C1)C#N)CBr PI-11546 [1,1,0,0,0,0|2,0,0]=4 535 B10R1.172 C1=CC(=CC(=C1)C#N)CO PI-46956 [1,1,0,0,0,0|2,0,0]=4 536 B10R1.172 C1=CC(=CC(=C1)CO)CO PI-11678 [1,1,0,0,0,0|2,0,0]=4 537 B10R1.172 C1=CC(=CC(=C1)NN)C#N PI-44884 [1,1,0,0,0,0|2,0,0]=4 538 B10R1.172 C1=CC(=CC(=C1)NN)C#N PI-44909 [1,1,0,0,0,0|2,0,0]=4 539 B10R1.172 C1=CC(=CC(=C1)NN)C#N PI-50325 [1,1,0,0,0,0|2,0,0]=4 540 B10R1.172 CCC1=CC(=CC=C1)C#N PI-22051 [1,1,0,0,0,0|1,0,0]=3 541 B10R1.172 CCC1=NC=CC(=C1)C#N PI-44125 [1,1,0,0,0,0|2,0,0]=4 542 B10R1.172 COC1=CC(=CC=C1)OC PI-35273 [1,1,0,0,0,0|2,0,0]=4 543 B10R1.172 COC1=CC(=NC=C1)CN PI-50083 [1,1,0,0,0,0|2,0,0]=4 544 B10R1.172 COC1=CC=CC(=C1)C#N PI-31072 [1,1,0,0,0,0|2,0,0]=4 545 B10R1.172 COC1=CC=CC(=C1)CBr PI-49400 [1,1,0,0,0,0|1,1,0]=4 546 B10R1.172 COC1=CC=CC(=C1)CN PI-31714 [1,1,0,0,0,0|1,0,0]=3 547 B10R1.172 COC1=CC=CC(=C1)NN PI-29546 [1,1,0,0,0,0|2,0,0]=4 548 B10R1.172 COc1cccc(c1)C=O PI-32570 [1,1,0,0,0,0|2,0,0]=4 549 B10R1.172 ClCc1cccc(c1)OC PI-32021 [1,1,0,0,0,0|1,1,0]=4 550 B10R1.172 OCc1cccc(CBr)c1 PI-22137 [1,1,0,0,0,0|1,1,0]=4 551 B10R1.172 OCc1cccc(c1)OC PI-31272 [1,1,0,0,0,0|2,0,0]=4 552 B10R1.176 BrC1=C(C=C(C#N)C=C1)F PI-10688 [1,1,0,0,0,0|0,0,2]=4 553 B10R1.176 BrCc1ccc(C)c(F)c1 PI-23753 [1,1,0,0,0,0|1,0,0]=3 554 B10R1.176 BrCc1ccc(F)c(C)c1 PI-23754 [1,1,0,0,0,0|2,0,0]=4 555 B10R1.176 C1=C(C=CC(=C1F)Cl)C#N PI-28050 [1,1,0,0,0,0|0,0,2]=4 556 B10R1.176 C1=C(C=CC(=C1F)F)C#N PI-16869 [1,1,0,0,0,0|0,0,2]=4 557 B10R1.176 C1=CC(=C(C=C1C#N)F)I PI-10700 [1,1,0,0,0,0|0,0,2]=4 558 B10R1.176 C1=CC(=C(C=C1C#N)F)N PI-10683 [1,1,0,0,0,0|0,0,2]=4 559 B10R1.176 C1=CC(=C(C=C1C#N)F)O PI-34365 [1,1,0,0,0,0|0,0,2]=4 560 B10R1.176 C1=CC(=C(C=C1C=O)F)O PI-28509 [1,1,0,0,0,0|1,0,1]=4 561 B10R1.176 C1=CC(=C(C=C1CBr)Cl)Cl PI-35255 [1,1,0,0,0,0|1,1,0]=4 562 B10R1.176 C1=CC(=C(C=C1CBr)Cl)F PI-20078 [1,1,0,0,0,0|1,1,0]=4 563 B10R1.176 C1=CC(=C(C=C1CBr)F)Br PI-35170 [1,1,0,0,0,0|1,0,0]=3 564 B10R1.176 C1=CC(=C(C=C1CBr)F)F PI-13391 [1,1,0,0,0,0|1,0,0]=3 565 B10R1.176 C1=CC(=C(C=C1CCl)F)F PI-21150 [1,1,0,0,0,0|1,0,0]=3 566 B10R1.176 C1=CC(=C(C=C1CN)Br)F PI-43947 [1,1,0,0,0,0|0,1,0]=3 567 B10R1.176 C1=CC(=C(C=C1CN)Cl)Cl PI-11886 [1,1,0,0,0,0|0,1,0]=3 568 B10R1.176 C1=CC(=C(C=C1CN)Cl)F PI-20074 [1,1,0,0,0,0|0,1,0]=3 569 B10R1.176 C1=CC(=C(C=C1CN)F)F PI-33741 [1,1,0,0,0,0|0,0,0]=2 570 B10R1.176 C1=CC(=C(C=C1CO)Br)F PI-14435 [1,1,0,0,0,0|1,1,0]=4 571 B10R1.176 C1=CC(=C(C=C1CO)Cl)Cl PI-32224 [1,1,0,0,0,0|1,1,0]=4 572 B10R1.176 C1=CC(=C(C=C1CO)O)I PI-45003 [1,1,0,0,0,0|2,0,0]=4 573 B10R1.176 C1=CC(=C(C=C1CO)O)O PI-19526 [1,1,0,0,0,0|2,0,0]=4 574 B10R1.176 C1=CC(=C(C=C1NN)Cl)F PI-20108 [1,1,0,0,0,0|1,1,0]=4 575 B10R1.176 C1=CC(=C(C=C1NN)Cl)F PI-20109 [1,1,0,0,0,0|1,1,0]=4 576 B10R1.176 C1=CC(=C(C=C1NN)F)F PI-31188 [1,1,0,0,0,0|1,0,0]=3 577 B10R1.176 CC1=C(C=C(C=C1)C#N)F PI-31087 [1,1,0,0,0,0|0,0,2]=4 578 B10R1.176 CC1=C(C=C(C=C1)C=O)F PI-28215 [1,1,0,0,0,0|1,0,1]=4 579 B10R1.176 CC1=C(C=C(C=C1)CCl)C PI-23827 [1,1,0,0,0,0|2,0,0]=4 580 B10R1.176 CC1=C(C=C(C=C1)CN)C PI-33680 [1,1,0,0,0,0|1,0,0]=3 581 B10R1.176 CC1=C(C=C(C=C1)CN)Cl PI-20155 [1,1,0,0,0,0|0,1,0]=3 582 B10R1.176 CC1=C(C=C(C=C1)NN)C PI-50516 [1,1,0,0,0,0|2,0,0]=4 583 B10R1.176 CC1=C(C=C(C=C1)NN)Cl PI-20172 [1,1,0,0,0,0|1,1,0]=4 584 B10R1.176 CC1=C(C=C(C=C1)OC)Cl PI-10076 [1,1,0,0,0,0|1,1,0]=4 585 B10R1.176 CC1=C(C=C(C=C1)OC)F PI-28510 [1,1,0,0,0,0|1,0,0]=3 586 B10R1.176 CC1=C(C=CC(=C1)OC)Br PI-31134 [1,1,0,0,0,0|2,0,0]=4 587 B10R1.176 CC1=C(C=CC(=C1)OC)Cl PI-19110 [1,1,0,0,0,0|2,0,0]=4 588 B10R1.176 CC1=C(C=CC(=C1)OC)F PI-28300 [1,1,0,0,0,0|2,0,0]=4 589 B10R1.176 CC1=C(C=CC(=C1)OC)N PI-11298 [1,1,0,0,0,0|2,0,0]=4 590 B10R1.176 CCc1ccc(c(c1)O)O PI-19057 [1,1,0,0,0,0|1,0,0]=3 591 B10R1.176 COC1=CC(=C(C=C1)Br)Cl PI-20604 [1,1,0,0,0,0|1,1,0]=4 592 B10R1.176 COC1=CC(=C(C=C1)Br)F PI-10453 [1,1,0,0,0,0|1,0,0]=3 593 B10R1.176 COC1=CC(=C(C=C1)Cl)Br PI-33016 [1,1,0,0,0,0|1,1,0]=4 594 B10R1.176 COC1=CC(=C(C=C1)N)O PI-34837 [1,1,0,0,0,0|2,0,0]=4 595 B10R1.176 COC1=CC(=C(C=C1)O)Br PI-14462 [1,1,0,0,0,0|1,1,0]=4 596 B10R1.176 COC1=CC(=C(C=C1)O)N PI-34807 [1,1,0,0,0,0|2,0,0]=4 597 B10R1.176 COC1=CC(F)=C(O)C=C1 PI-40578 [1,1,0,0,0,0|1,0,0]=3 598 B10R1.176 COC1=CC=C(Cl)C(F)=C1 PI-39520 [1,1,0,0,0,0|1,0,0]=3 599 B10R1.176 COC1=CC=C(N)C(N)=C1 PI-12090 [1,1,0,0,0,0|2,0,0]=4 600 B10R1.176 COc1ccc(c(c1)Cl)O PI-20143 [1,1,0,0,0,0|1,1,0]=4 601 B10R1.176 COc1ccc(c(c1)F)F PI-28067 [1,1,0,0,0,0|1,0,0]=3 602 B10R1.176 COc1ccc(c(c1)F)N PI-39131 [1,1,0,0,0,0|1,0,0]=3 603 B10R1.176 COc1ccc(c(c1)N)Br PI-35266 [1,1,0,0,0,0|2,0,0]=4 604 B10R1.176 COc1ccc(c(c1)N)N PI-29731 [1,1,0,0,0,0|2,0,0]=4 605 B10R1.176 CSC1=CC(=C(C=C1)Cl)Cl PI-11888 [1,1,0,0,0,0|1,1,0]=4 606 B10R1.176 NCc1ccc(c(c1)O)O PI-30190 [1,1,0,0,0,0|1,0,0]=3 607 B10R1.176 NNc1ccc(Cl)c(Cl)c1 PI-29297 [1,1,0,0,0,0|1,1,0]=4 608 B10R1.176 NNc1ccc(F)c(F)c1 PI-31079 [1,1,0,0,0,0|1,0,0]=3 609 B10R1.176 NNc1ccc(c(c1)C)C PI-29749 [1,1,0,0,0,0|2,0,0]=4 610 B10R1.176 O=Cc1ccc(Cl)c(F)c1 PI-10524 [1,1,0,0,0,0|1,0,1]=4 611 B10R1.176 O=Cc1ccc(F)c(F)c1 PI-10106 [1,1,0,0,0,0|1,0,1]=4 612 B10R1.176 O=Cc1ccc(I)c(F)c1 PI-28941 [1,1,0,0,0,0|1,0,1]=4 613 B10R1.176 O=Cc1ccc(c(c1)F)Br PI-10449 [1,1,0,0,0,0|1,0,1]=4 614 B10R1.176 OCc1ccc(c(c1)F)Br PI-39169 [1,1,0,0,0,0|1,0,0]=3 615 B10R1.1 BrCCc1ccc(Br)cc1 PI-19204 [1,1,0,0,0,0|1,0,0]=3 616 B10R1.1 BrCCc1ccc(C)cc1 PI-21425 [1,1,0,0,0,0|1,0,0]=3 617 B10R1.1 BrCCc1ccc(Cl)cc1 PI-21415 [1,1,0,0,0,0|1,0,0]=3 618 B10R1.1 BrCCc1ccc(F)cc1 PI-21419 [1,1,0,0,0,0|1,0,0]=3 619 B10R1.1 BrCCc1ccc(cc1)O PI-19128 [1,1,0,0,0,0|1,0,0]=3 620 B10R1.1 C1=CC(=CC=C1CC#N)Br PI-14499 [1,1,0,0,0,0|0,0,2]=4 621 B10R1.1 C1=CC(=CC=C1CC#N)F PI-16868 [1,1,0,0,0,0|0,0,2]=4 622 B10R1.1 C1=CC(=CC=C1CC#N)N PI-30515 [1,1,0,0,0,0|0,0,2]=4 623 B10R1.1 C1=CC(=CC=C1CCCl)F PI-20050 [1,1,0,0,0,0|1,0,0]=3 624 B10R1.1 C1=CC(=CC=C1CCN)F PI-33070 [1,1,0,0,0,0|0,0,0]=2 625 B10R1.1 C1=CC(=CC=C1CCO)Br PI-44966 [1,1,0,0,0,0|1,0,0]=3 626 B10R1.1 C1=CC(=CC=C1CCO)Cl PI-46018 [1,1,0,0,0,0|1,0,0]=3 627 B10R1.1 C1=CC(=CC=C1CCO)N PI-10092 [1,1,0,0,0,0|1,0,0]=3 628 B10R1.1 C1=CC(=CC=C1CCO)O PI-29634 [1,1,0,0,0,0|1,0,0]=3 629 B10R1.1 CC1=CC=C(C=C1)SCCl PI-19470 [1,1,0,0,0,0|2,0,0]=4 630 B10R1.1 CCCC1=CC=C(C=C1)Br PI-16232 [1,1,0,0,0,0|1,0,0]=3 631 B10R1.1 CCCC1=CC=C(C=C1)I PI-19089 [1,1,0,0,0,0|1,0,0]=3 632 B10R1.1 CCCC1=CC=C(C=C1)O PI-16209 [1,1,0,0,0,0|1,0,0]=3 633 B10R1.1 CCOC1=CC=C(C=C1)Br PI-34197 [1,1,0,0,0,0|2,0,0]=4 634 B10R1.1 CCOC1=CC=C(C=C1)I PI-12223 [1,1,0,0,0,0|2,0,0]=4 635 B10R1.1 CCOc1ccc(cc1)O PI-27806 [1,1,0,0,0,0|2,0,0]=4 636 B10R1.1 CNCC1=CC=C(C=C1)N PI-30552 [1,1,0,0,0,0|2,0,0]=4 637 B10R1.1 FC1=CC=C(OCC)C=C1 PI-22032 [1,1,0,0,0,0|2,0,0]=4 638 B10R1.1 N#CCC1=CC=C(O)C=C1 PI-11988 [1,1,0,0,0,0|0,0,2]=4 639 B10R1.1 N#CCc1ccc(cc1)C PI-12004 [1,1,0,0,0,0|0,0,2]=4 640 B10R1.1 NCCC1=CC=C(Br)C=C1 PI-15694 [1,1,0,0,0,0|0,0,0]=2 641 B10R1.1 NCCc1ccc(Br)cc1 PI-22229 [1,1,0,0,0,0|0,0,0]=2 642 B10R1.1 NCCc1ccc(O)cc1 PI-16006 [1,1,0,0,0,0|0,0,0]=2 643 B10R1.1 NCCc1ccc(O)cc1 PI-16007 [1,1,0,0,0,0|0,0,0]=2 644 B10R1.1 NCCc1ccc(cc1)N PI-10153 [1,1,0,0,0,0|0,0,0]=2 645 B10R1.1 OCCc1ccc(F)cc1 PI-28804 [1,1,0,0,0,0|1,0,0]=3 646 B10R1.1 [C-]#[N+]CC1=CC=C(C=C1)Cl PI-23615 [1,1,0,0,0,0|2,0,0]=4 647 B10R1.4 BrCCc1ccccc1C PI-21423 [1,1,0,0,0,0|1,0,0]=3 648 B10R1.4 BrCCc1ccccc1Cl PI-21413 [1,1,0,0,0,0|1,0,0]=3 649 B10R1.4 BrCCc1ccccc1F PI-34239 [1,1,0,0,0,0|1,0,0]=3 650 B10R1.4 C1=CC=C(C(=C1)C=NN)O PI-27488 [1,1,0,0,0,0|1,0,1]=4 651 B10R1.4 C1=CC=C(C(=C1)CC#N)Br PI-22282 [1,1,0,0,0,0|0,0,2]=4 652 B10R1.4 C1=CC=C(C(=C1)CC#N)F PI-16866 [1,1,0,0,0,0|0,0,2]=4 653 B10R1.4 C1=CC=C(C(=C1)CCO)F PI-23810 [1,1,0,0,0,0|1,0,0]=3 654 B10R1.4 C1=CC=C(C(=C1)CNN)F PI-50605 [1,1,0,0,0,0|1,0,0]=3 655 B10R1.4 C=CCC1=CC=CC=C1O PI-46039 [1,1,0,0,0,0|1,0,1]=4 656 B10R1.4 CCNC1=CC=CC=C1F PI-22091 [1,1,0,0,0,0|2,0,0]=4 657 B10R1.4 CCOC1=CC=CC=C1F PI-23815 [1,1,0,0,0,0|2,0,0]=4 658 B10R1.4 CCOC1=CC=CC=C1N PI-30971 [1,1,0,0,0,0|2,0,0]=4 659 B10R1.4 N#CCc1ccccc1Cl PI-11829 [1,1,0,0,0,0|0,0,2]=4 660 B10R1.4 N#CCc1ccccc1N PI-16130 [1,1,0,0,0,0|0,0,2]=4 661 B10R1.4 NCCc1ccccc1Br PI-39292 [1,1,0,0,0,0|0,0,0]=2 662 B10R1.4 NCCc1ccccc1Cl PI-20209 [1,1,0,0,0,0|0,0,0]=2 663 B10R1.4 NCCc1ccccc1F PI-38584 [1,1,0,0,0,0|0,0,0]=2 664 B10R1.4 NOCc1ccccc1Cl PI-39246 [1,1,0,0,0,0|1,0,0]=3 665 B10R1.4 [C-]#[N+]Cc1ccccc1Cl PI-23174 [1,1,0,0,0,0|2,0,0]=4 666 B10R1.15 C1=CC=C(C=C1)C(C#N)O PI-38881 [1,1,0,0,0,0|0,0,2]=4 667 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42549 [1,1,0,0,0,0|1,0,0]=3 668 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42550 [1,1,0,0,0,0|1,0,0]=3 669 B10R1.15 C1=CC=C(C=C1)C(CN)O PI-30384 [1,1,0,0,0,0|0,0,0]=2 670 B10R1.15 C1=CC=C(C=C1)C(CO)O PI-19178 [1,1,0,0,0,0|1,0,0]=3 671 B10R1.15 CC(C1=CC=CC=C1)NC PI-26776 [1,1,0,0,0,0|2,0,0]=4 672 B10R1.15 CC(CN)C1=CC=CC=C1 PI-10356 [1,1,0,0,0,0|0,0,0]=2 673 B10R1.15 CCC(C1=CC=CC=C1)N PI-16663 [1,1,0,0,0,0|1,0,0]=3 674 B10R1.15 CCC(O)c1ccccc1 PI-31770 [1,1,0,0,0,0|1,0,0]=3 675 B10R1.15 CCN(C)C1=CC=CC=C1 PI-35465 [1,1,0,0,0,0|2,0,0]=4 676 B10R1.15 CCN(C1=CC=CC=C1)N PI-29822 [1,1,0,0,0,0|2,0,0]=4 677 B10R1.15 CC[C@@H](C1=CC=CC=C1)O PI-49816 [1,1,0,0,0,0|1,0,0]=3 678 B10R1.15 CC[C@@H](c1ccccc1)N PI-16662 [1,1,0,0,0,0|1,0,0]=3 679 B10R1.15 CC[C@H](C1=CC=CC=C1)O PI-49815 [1,1,0,0,0,0|1,0,0]=3 680 B10R1.15 C[C@H](CN)c1ccccc1 PI-10355 [1,1,0,0,0,0|0,0,0]=2 681 B10R1.15 NCC(=O)c1ccccc1 PI-29691 [1,1,0,0,0,0|0,0,1]=3 682 B10R1.15 NCC(O)c1ccccc1 PI-17268 [1,1,0,0,0,0|0,0,0]=2 683 B10R1.15 NC[C@H](c1ccccc1)O PI-30721 [1,1,0,0,0,0|0,0,0]=2 684 B10R1.15 OC(C1=CC=CC=C1)CO PI-39570 [1,1,0,0,0,0|1,0,0]=3 685 B10R1.15 OCC(=O)c1ccccc1 PI-11851 [1,1,0,0,0,0|1,0,1]=4 686 B10R1.15 OC[C@@H](N)c1ccccc1 PI-16634 [1,1,0,0,0,0|1,0,0]=3 687 B10R1.15 OC[C@@H](c1ccccc1)N PI-16633 [1,1,0,0,0,0|1,0,0]=3 688 B10R1.15 OC[C@H](c1ccccc1)O PI-17035 [1,1,0,0,0,0|1,0,0]=3 689 B10R1.17 C1=CC(=CN=C1)CCCO PI-33814 [1,1,0,0,0,0|2,0,0]=4 690 B10R1.17 C1=CC=C(C=C1)C#CCO PI-48957 [1,1,0,0,0,0|1,0,1]=4 691 B10R1.17 C1=CC=C(C=C1)CN=C=S PI-28698 [1,1,0,0,0,0|1,0,1]=4 692 B10R1.17 C1=CC=C(C=C1)COCCl PI-28438 [1,1,0,0,0,0|1,0,0]=3 693 B10R1.17 C1=CC=C(C=C1)OCCBr PI-31495 [1,1,0,0,0,0|1,0,0]=3 694 B10R1.17 C1=CC=C(C=C1)OCCCl PI-12172 [1,1,0,0,0,0|1,0,0]=3 695 B10R1.17 C1=CC=C(C=C1)OCCN PI-12173 [1,1,0,0,0,0|0,0,0]=2 696 B10R1.17 C1=CC=C(C=C1)\C=C\CBr PI-46926 [1,1,0,0,0,0|1,0,1]=4 697 B10R1.17 C=CCOc1ccccc1 PI-36466 [1,1,0,0,0,0|1,0,1]=4 698 B10R1.17 CCCCC1=CC=CC=N1 PI-13327 [1,1,0,0,0,0|2,0,0]=4 699 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13343 [1,1,0,0,0,0|2,0,0]=4 700 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13349 [1,1,0,0,0,0|2,0,0]=4 701 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45700 [1,1,0,0,0,0|2,0,0]=4 702 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45703 [1,1,0,0,0,0|2,0,0]=4 703 B10R1.17 CCCSC1=CC=CC=C1 PI-19961 [1,1,0,0,0,0|1,0,0]=3 704 B10R1.17 CNCCC1=CC=CC=N1 PI-13780 [1,1,0,0,0,0|1,0,0]=3 705 B10R1.17 CNCCC1=CC=CC=N1 PI-13781 [1,1,0,0,0,0|1,0,0]=3 706 B10R1.17 CNCCc1ccncc1 PI-12002 [1,1,0,0,0,0|1,0,0]=3 707 B10R1.17 ClCCCc1ccccc1 PI-33374 [1,1,0,0,0,0|1,0,0]=3 708 B10R1.17 ClCSCc1ccccc1 PI-19537 [1,1,0,0,0,0|1,0,0]=3 709 B10R1.17 N#CSCc1ccccc1 PI-32979 [1,1,0,0,0,0|0,0,2]=4 710 B10R1.17 NCCCc1ccccc1 PI-11351 [1,1,0,0,0,0|0,0,0]=2 711 B10R1.17 OCCCc1ccccn1 PI-33813 [1,1,0,0,0,0|2,0,0]=4 712 B10R1.17 OCCCc1ccncc1 PI-31736 [1,1,0,0,0,0|2,0,0]=4 713 B10R1.17 [NH-]=[N+]=NCc1ccccc1 PI-14174 [1,1,0,0,0,0|1,0,1]=4 714 B10R1.18 B(CC1=CC=CC=C1)(O)O PI-49945 [1,1,0,0,0,0|2,0,0]=4 715 B10R1.18 C1=CC=C(C=C1)N=C(N)N PI-11304 [1,1,0,0,0,0|1,0,1]=4 716 B10R1.18 C1=CC=C(C=C1)OC(=O)N PI-10948 [1,1,0,0,0,0|1,0,1]=4 717 B10R1.18 C1=CC=[N+](C=C1)CC(=O)N PI-15939 [1,1,0,0,0,0|1,0,1]=4 718 B10R1.18 CC(C)NC1=CC=CC=C1 PI-11279 [1,1,0,0,0,0|2,0,0]=4 719 B10R1.18 CC(Cc1ccccn1)C PI-13337 [1,1,0,0,0,0|2,0,0]=4 720 B10R1.18 NC(=Nc1ccccc1)N PI-20950 [1,1,0,0,0,0|1,0,1]=4 721 B12R1.24 CCC(=O)C1=C(C(=CC=C1)F)F PI-21239 [0,2,0,0,0,0|1,0,1]=4 722 B12R1.224 C1=CC(=C(C(=C1)F)F)CC(=O)O PI-21212 [0,2,0,0,0,0|1,0,1]=4 723 B12R1.544 CCOC1=C(C(=C(C=C1)Br)F)F PI-34508 [0,2,0,0,0,0|2,0,0]=4 724 B12R1.544 OC1=CC=C(OCC)C(F)=C1F PI-39569 [0,2,0,0,0,0|2,0,0]=4 725 B12R1.17 C1=CC(=CC(=C1)Cl)[C@H](CCO)O PI-50214 [0,2,0,0,0,0|1,1,0]=4 726 B12R1.17 CCOC(=O)C1=CC(=CC=C1)F PI-34136 [0,2,0,0,0,0|1,0,1]=4 727 B12R1.17 CNCC(=O)C1=CC(=CC=C1)O PI-44651 [0,2,0,0,0,0|1,0,1]=4 728 B12R1.17 CNCC(C1=CC(=CC=C1)O)O PI-33512 [0,2,0,0,0,0|1,0,0]=3 729 B12R1.17 CNCC(C1=CC(=CC=C1)O)O PI-41191 [0,2,0,0,0,0|1,0,0]=3 730 B12R1.17 CNC[C@@H](c1cccc(c1)O)O PI-33511 [0,2,0,0,0,0|1,0,0]=3 731 B12R1.17 N#CCC(=O)c1cccc(F)c1 PI-23465 [0,2,0,0,0,0|0,0,2]=4 732 B12R1.225 CC(C)C(C1=CC(=CC=C1)F)N PI-34609 [0,2,0,0,0,0|1,0,0]=3 733 B12R1.354 C1=CC(=C(C=C1F)C(=O)CBr)O PI-21450 [0,2,0,0,0,0|1,0,1]=4 734 B12R1.358 C1=C(C=C(C=C1F)F)C(=O)NN PI-50460 [0,2,0,0,0,0|1,0,1]=4 735 B12R1.358 CCC(=O)C1=CC(=CC(=C1)F)F PI-31055 [0,2,0,0,0,0|1,0,1]=4 736 B12R1.367 C1=CC(=C(C=C1C(=O)CBr)F)F PI-21210 [0,2,0,0,0,0|1,0,1]=4 737 B12R1.367 C1=CC(=C(C=C1C(=O)NN)F)F PI-50448 [0,2,0,0,0,0|1,0,1]=4 738 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O PI-10337 [0,2,0,0,0,0|1,0,0]=3 739 B12R1.367 C1=CC(=C(C=C1C(CO)O)O)O PI-26530 [0,2,0,0,0,0|2,0,0]=4 740 B12R1.367 C1=CC(=C(C=C1[C@@H](CCl)O)Cl)Cl PI-49810 [0,2,0,0,0,0|1,1,0]=4 741 B12R1.367 CCC(=O)C1=CC(=C(C=C1)F)F PI-17410 [0,2,0,0,0,0|1,0,1]=4 742 B12R1.50 C1=CC(=CC(=C1)Cl)CC(=O)NN PI-50254 [0,2,0,0,0,0|0,1,1]=4 743 B12R1.50 C1=CC(=CC(=C1)F)NC(=O)CCl PI-23121 [0,2,0,0,0,0|1,0,1]=4 744 B12R1.50 CNC(=O)CC1=CC(=CC=C1)N PI-36757 [0,2,0,0,0,0|1,0,1]=4 745 B12R1.50 COC(=O)CC1=CC(=CC=C1)F PI-50484 [0,2,0,0,0,0|1,0,1]=4 746 B12R1.100 OCCSc1cc(C)cc(C)c1 PI-23967 [0,2,0,0,0,0|2,0,0]=4 747 B12R1.226 C1=CC(=CC(=C1)Br)CN=C(N)N PI-14387 [0,2,0,0,0,0|0,1,1]=4 748 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O PI-20848 [0,2,0,0,0,0|2,0,0]=4 749 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O PI-24369 [0,2,0,0,0,0|2,0,0]=4 750 B12R1.226 OC(=O)CCc1cccc(c1)Br PI-22538 [0,2,0,0,0,0|1,1,0]=4 751 B12R1.226 OC(=O)CCc1cccc(c1)F PI-16998 [0,2,0,0,0,0|1,0,0]=3 752 B12R1.374 Cc1ccc(C)cc1SCCO PI-23964 [0,2,0,0,0,0|2,0,0]=4 753 B12R1.382 C1=CC(=CC(=C1)OCCO)C=O PI-27769 [0,2,0,0,0,0|2,0,0]=4 754 B12R1.382 CNC1=CC=CC(=C1)CCCO PI-12563 [0,2,0,0,0,0|2,0,0]=4 755 B12R1.385 CCCCC1=CC(=C(C=C1)I)C PI-19229 [0,2,0,0,0,0|2,0,0]=4 756 B12R1.385 CCCOC1=CC(=C(C=C1)N)N PI-15804 [0,2,0,0,0,0|2,0,0]=4 757 B12R1.385 CCCSC1=CC(=C(C=C1)N)N PI-32069 [0,2,0,0,0,0|2,0,0]=4 758 B12R1.385 OCCNc1ccc(c(c1)O)C PI-16012 [0,2,0,0,0,0|2,0,0]=4 759 B12R1.385 OCCSc1ccc(C)c(C)c1 PI-23966 [0,2,0,0,0,0|2,0,0]=4 760 B12R1.44 CCCC1=CC(=C(C(=C1)Br)N)Br PI-19038 [0,2,0,0,0,0|1,1,0]=4 761 B12R1.101 C1=C(C=C(C=C1F)F)CC(=O)O PI-16879 [0,2,0,0,0,0|1,0,1]=4 762 B12R1.19 C1=CC(=C(C=C1CC(=O)O)F)F PI-13375 [0,2,0,0,0,0|1,0,1]=4 763 B12R1.19 OC(=O)Cc1ccc(c(c1)F)C PI-23761 [0,2,0,0,0,0|1,0,1]=4 764 B12R1.19 OC(=O)Cc1ccc(c(c1)F)N PI-36900 [0,2,0,0,0,0|1,0,1]=4 765 B12R1.19 OC(=O)Cc1ccc(c(c1)F)O PI-30640 [0,2,0,0,0,0|1,0,1]=4 766 B12R1.119 Fc1cccc(c1)CS(=O)(=O)C PI-23498 [0,2,0,0,0,0|2,0,0]=4 767 B12R1.119 Fc1cccc(c1)OC(F)(F)F PI-28045 [0,2,0,0,0,0|2,0,0]=4 768 B12R1.127 C1=CC(=C(C=C1F)CC(=O)O)Br PI-35231 [0,2,0,0,0,0|1,0,1]=4 769 B12R1.127 C1=CC(=C(C=C1F)NC(=S)N)F PI-21234 [0,2,0,0,0,0|1,0,1]=4 770 B12R1.127 CC1=C(C=C(C=C1)F)NC(=S)N PI-29189 [0,2,0,0,0,0|1,0,1]=4 771 B12R1.127 Cc1ccc(F)cc1CC(=O)O PI-23762 [0,2,0,0,0,0|1,0,1]=4 772 B12R1.127 NC1=CC=C(F)C=C1OC(C)C PI-40835 [0,2,0,0,0,0|2,0,0]=4 773 B12R1.127 OC(=O)Cc1cc(F)ccc1F PI-13374 [0,2,0,0,0,0|1,0,1]=4 774 B12R1.268 COC1=C(C=C(C=C1)Br)CCN PI-21559 [0,2,0,0,0,0|0,1,0]=3 775 B12R1.1123 C1=C(C(=CC(=C1F)F)F)CC#N PI-35240 [0,2,0,0,0,0|0,0,2]=4 776 B12R1.279 C1=CC(=CC(=C1)C(=O)O)CCO PI-16394 [0,2,0,0,0,0|2,0,0]=4 777 B12R1.279 NCCc1cccc(c1)[N+](=O)[O-] PI-16430 [0,2,0,0,0,0|1,0,0]=3 778 B12R1.286 COC1=C(C=CC(=C1)CCN)Br PI-48277 [0,2,0,0,0,0|1,0,0]=3 779 B12R1.286 COC1=C(C=CC(=C1)CCN)O PI-20794 [0,2,0,0,0,0|1,0,0]=3 780 B12R1.286 OCCc1ccc(c(c1)OC)O PI-27378 [0,2,0,0,0,0|2,0,0]=4 781 B12R1.288 C=CCc1ccc(OC)c(F)c1 PI-23724 [0,2,0,0,0,0|1,0,1]=4 782 B12R1.288 COC1=C(C=C(C=C1)CC#N)F PI-35242 [0,2,0,0,0,0|0,0,2]=4 783 B12R1.288 NCCc1ccc(OC)c(O)c1 PI-20793 [0,2,0,0,0,0|1,0,0]=3 784 B10R1.25 C1=CC(=C(C=C1F)Cl)CN PI-20071 [0,0,1,1,0,0|1,0,1]=4 785 B10R1.25 NCc1ccc(cc1F)F PI-28783 [0,0,1,1,0,0|1,0,1]=4 786 B10R1.245 C1=CC(=C(C(=C1)F)CN)F PI-31271 [0,0,1,1,0,0|1,0,1]=4 787 B10R1.245 C1=CC(=C(C(=C1)F)CN)N PI-15923 [0,0,1,1,0,0|1,0,1]=4 788 B10R1.245 NCc1c(F)cccc1Cl PI-20072 [0,0,1,1,0,0|1,0,1]=4 789 B10R2.31 BrC1=CC2=C(CC2)C=C1 PI-37003 [1,0,0,1,0,0|0,1,0]=3 790 B10R2.31 NC1=CC=C2CCC2=C1 PI-40931 [1,0,0,1,0,0|1,0,0]=3 791 B10R2.31 OC1=CC=C2CCC2=C1 PI-42598 [1,0,0,1,0,0|1,0,0]=3 792 B10R2.6 C1CC1c2ccccc2 PI-17840 [1,0,0,1,0,0|1,0,0]=3 793 B10R2.6 O1C[C@@H]1c2ccccc2 PI-10841 [1,0,0,1,0,0|1,0,0]=3 794 B10R2.6 O1C[C@H]1c2ccccc2 PI-10838 [1,0,0,1,0,0|1,0,0]=3 795 B10R2.7 C12=C(CNC1)C=CC=C2 PI-41113 [1,0,0,1,0,0|2,0,0]=4 796 B10R2.7 C1=CC=C2C(=C1)C=CN2 PI-44715 [1,0,0,1,0,0|0,0,2]=4 797 B10R2.7 C1CC2=C(C1)N=CC=C2 PI-12954 [1,0,0,1,0,0|2,0,0]=4 798 B10R2.7 C1CNC2=CC=CC=C21 PI-44710 [1,0,0,1,0,0|0,0,0]=2 799 B10R2.7 C1COC2=CC=CC=C21 PI-21250 [1,0,0,1,0,0|1,0,0]=3 800 B10R2.7 c1ccc2c(c1)[nH]cn2 PI-31348 [1,0,0,1,0,0|1,0,1]=4 801 B10R2.7 c1ccc2c(c1)[nH]nc2 PI-31379 [1,0,0,1,0,0|1,0,1]=4 802 B10R2.320 C1=CC=CC2=C1CC2=O PI-40938 [1,0,0,1,0,0|1,0,1]=4 803 B10R2.320 C1C(C2=CC=CC=C21)Br PI-40935 [1,0,0,1,0,0|1,0,0]=3 804 B12R2.202 C1=CC(=C2C(=C1)SC(=N2)N)F PI-45305 [0,1,0,1,0,0|1,0,1]=4 805 B12R2.202 C1=CC(=C2C(=C1)SC(=O)N2)F PI-45347 [0,1,0,1,0,0|1,0,1]=4 806 B12R2.202 C1=CC(=C2C(=C1)SC(=S)N2)F PI-45334 [0,1,0,1,0,0|1,0,1]=4 807 B12R2.202 C1C2=C(C(=CC=C2)Cl)NC1=O PI-33957 [0,1,0,1,0,0|0,1,1]=4 808 B12R2.202 O=C1NC2=C(C=CC=C2F)C1 PI-40280 [0,1,0,1,0,0|0,0,1]=3 809 B12R2.1081 C1CC2=C(C=CC=C2Br)NC1 PI-44889 [0,1,0,1,0,0|1,1,0]=4 810 B12R2.1081 C1CC2=C(C=CC=C2Br)NC1 PI-44914 [0,1,0,1,0,0|1,1,0]=4 811 B12R2.1081 C1COC2=C(N1)C=CC=C2O PI-36585 [0,1,0,1,0,0|2,0,0]=4 812 B12R2.1081 CC1=C2C(=CC=C1)CCCN2 PI-29657 [0,1,0,1,0,0|1,0,0]=3 813 B12R2.1081 Nc1cccc2c1CCCC2 PI-25360 [0,1,0,1,0,0|2,0,0]=4 814 B12R2.1081 Nc1cccc2c1CCNC2 PI-17677 [0,1,0,1,0,0|2,0,0]=4 815 B12R2.1081 Nc1cccc2c1OCCO2 PI-34758 [0,1,0,1,0,0|2,0,0]=4 816 B12R2.1081 Oc1cccc2c1CCCC2 PI-18635 [0,1,0,1,0,0|2,0,0]=4 817 B12R2.132 CC1=CNC2=C1C=C(C=C2)F PI-22695 [0,1,0,1,0,0|0,0,2]=4 818 B12R2.132 FC1=CC2=C(NN=C2Br)C=C1 PI-46755 [0,1,0,1,0,0|1,0,1]=4 819 B12R2.132 Fc1ccc2c(c1)C(=O)CC2 PI-16850 [0,1,0,1,0,0|1,0,1]=4 820 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 PI-37113 [0,1,0,1,0,0|2,0,0]=4 821 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)F PI-32729 [0,1,0,1,0,0|1,0,1]=4 822 B12R2.24 Brc1ccc2COCCc2c1 PI-36578 [0,1,0,1,0,0|1,1,0]=4 823 B12R2.24 C1CNCC2=C1C=CC(=C2)N PI-17082 [0,1,0,1,0,0|2,0,0]=4 824 B12R2.24 C1COC2=C(N1)C=C(C=C2)O PI-49017 [0,1,0,1,0,0|2,0,0]=4 825 B12R2.24 C1COC2=C(O1)C=CC(=C2)Br PI-28606 [0,1,0,1,0,0|1,1,0]=4 826 B12R2.24 CC1=CC2=C(C=C1)NCCC2 PI-29971 [0,1,0,1,0,0|1,0,0]=3 827 B12R2.24 Cc1ccc2c(c1)CNCC2 PI-39238 [0,1,0,1,0,0|2,0,0]=4 828 B12R2.24 Clc1ccc2c(c1)CCNC2 PI-39220 [0,1,0,1,0,0|0,1,0]=3 829 B12R2.24 Clc1ccc2c(c1)CNCC2 PI-39234 [0,1,0,1,0,0|1,1,0]=4 830 B12R2.24 FC1=CC2=C(CNCC2)C=C1 PI-42588 [0,1,0,1,0,0|0,0,0]=2 831 B12R2.24 Nc1ccc2c(c1)NCCC2 PI-37583 [0,1,0,1,0,0|2,0,0]=4 832 B12R2.24 Nc1ccc2c(c1)OCCO2 PI-33749 [0,1,0,1,0,0|2,0,0]=4 833 B12R2.24 Oc1ccc2c(c1)CCCC2 PI-12597 [0,1,0,1,0,0|2,0,0]=4 834 B12R2.24 Oc1ccc2c(c1)NCCC2 PI-13250 [0,1,0,1,0,0|2,0,0]=4 835 B12R2.203 C1CC(=O)C2=C1C=CC=C2F PI-32734 [0,1,0,1,0,0|1,0,0]=3 836 B12R2.203 C1CC(=O)C2=C1C=CC=C2I PI-32736 [0,1,0,1,0,0|1,1,0]=4 837 B12R2.203 O=C1CCc2c1c(Br)ccc2 PI-32735 [0,1,0,1,0,0|1,1,0]=4 838 B12R2.203 O=C1CCc2c1c(Cl)ccc2 PI-31373 [0,1,0,1,0,0|1,1,0]=4 839 B12R2.612 C1=C(Br)C=CC2=C1CCC2=O PI-21521 [0,1,0,1,0,0|1,1,0]=4 840 B12R2.612 C1C(C2=C(O1)C=C(C=C2)Br)N PI-48312 [0,1,0,1,0,0|0,1,0]=3 841 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)F PI-16849 [0,1,0,1,0,0|1,0,0]=3 842 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)I PI-32739 [0,1,0,1,0,0|1,1,0]=4 843 B12R2.612 CC1NCC2=C1C=CC(Br)=C2 PI-41874 [0,1,0,1,0,0|1,1,0]=4 844 B12R2.612 Clc1ccc2C(=O)CCc2c1 PI-31195 [0,1,0,1,0,0|1,1,0]=4 845 B12R2.612 Nc1ccc2C(=O)CCc2c1 PI-14100 [0,1,0,1,0,0|2,0,0]=4 846 B12R2.612 O=C1CCC2=C1C=CC(C)=C2 PI-40563 [0,1,0,1,0,0|2,0,0]=4 847 B12R2.612 Oc1ccc2C(=O)CCc2c1 PI-11505 [0,1,0,1,0,0|2,0,0]=4 848 B12R2.246 C1COC2=C1C=C(C=C2F)F PI-21162 [0,1,0,1,0,0|1,0,0]=3 849 B12R2.606 C1=CC2=C(C=C1F)N=C(S2)N PI-45304 [0,1,0,1,0,0|1,0,1]=4 850 B12R2.606 C1=CC2=C(C=C1F)NC(=S)N2 PI-45213 [0,1,0,1,0,0|1,0,1]=4 851 B12R2.606 C1=CC2=C(C=C1F)SC(=O)N2 PI-45349 [0,1,0,1,0,0|1,0,1]=4 852 B12R2.606 C1=CC2=C(C=C1F)SC(=S)N2 PI-45336 [0,1,0,1,0,0|1,0,1]=4 853 B12R2.606 C1C(=O)CC2=C1C=CC(=C2)F PI-32760 [0,1,0,1,0,0|1,0,1]=4 854 B12R2.606 C1C(CC2=C1C=CC(=C2)Br)O PI-42084 [0,1,0,1,0,0|1,1,0]=4 855 B12R2.606 C1C2=C(C=CC(=C2)Cl)NC1=O PI-10011 [0,1,0,1,0,0|0,1,1]=4 856 B12R2.606 C1C2=C(C=CC(=C2)I)NC1=O PI-48127 [0,1,0,1,0,0|0,1,1]=4 857 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)F PI-21877 [0,1,0,1,0,0|0,0,2]=4 858 B12R2.606 FC1=CC=C2C(N=C(Cl)N2)=C1 PI-46728 [0,1,0,1,0,0|1,0,1]=4 859 B12R2.606 Fc1ccc2c(c1)sc(n2)N PI-10111 [0,1,0,1,0,0|1,0,1]=4 860 B12R2.606 NC1CC2=C(C=C(Br)C=C2)C1 PI-42264 [0,1,0,1,0,0|0,1,0]=3 861 B12R2.606 O=C1NC2=CC(F)=CC=C2N1 PI-46692 [0,1,0,1,0,0|1,0,1]=4 862 B12R2.606 O=C1Nc2c(C1)cc(cc2)Br PI-31105 [0,1,0,1,0,0|0,1,1]=4 863 B12R2.606 O=C1Nc2c(C1)cc(cc2)F PI-22697 [0,1,0,1,0,0|0,0,1]=3 864 B12R2.606 O=C1Nc2c(C1)cc(cc2)N PI-10591 [0,1,0,1,0,0|1,0,1]=4 865 B12R2.606 O=C1Nc2c(C1)cc(cc2)O PI-11085 [0,1,0,1,0,0|1,0,1]=4 866 B12R2.44 C1COC2=C1C=C(C=C2)C=O PI-21253 [0,1,0,1,0,0|2,0,0]=4 867 B12R2.44 C1COC2=C1C=C(C=C2)CN PI-17657 [0,1,0,1,0,0|2,0,0]=4 868 B12R2.44 C1COC2=C1C=C(C=C2)CO PI-19102 [0,1,0,1,0,0|2,0,0]=4 869 B12R2.44 COC1=CC2=C(C=C1)NCC2 PI-36188 [0,1,0,1,0,0|1,0,0]=3 870 B12R2.315 C1COC2=C1C=CC=C2C=O PI-19274 [0,1,0,1,0,0|2,0,0]=4 871 B12R2.315 C1COC2=C1C=CC=C2CO PI-19152 [0,1,0,1,0,0|2,0,0]=4 872 B12R2.315 COC1=CC=CC2=C1NCC2 PI-35812 [0,1,0,1,0,0|1,0,0]=3 873 B12R2.100 C1=C2C=NNC2=CC(=C1F)Br PI-45077 [0,1,0,1,0,0|1,0,1]=4 874 B12R2.100 C1=C2C=NNC2=CC(=C1F)Cl PI-45185 [0,1,0,1,0,0|1,0,1]=4 875 B12R2.100 C1=CNC2=CC(=C(C=C21)F)Cl PI-20090 [0,1,0,1,0,0|0,0,2]=4 876 B12R2.100 Fc1cc2NCCc2cc1F PI-36132 [0,1,0,1,0,0|0,0,0]=2 877 B12R2.100 Fc1cc2[nH]ccc2cc1F PI-10013 [0,1,0,1,0,0|0,0,2]=4 878 B8R1.1 CC1=CC=C(O1)CN PI-43985 [1,0,0,0,1,0|2,0,0]=4 879 B8R1.11 C1=CSC(=C1CN)Br PI-14463 [1,0,0,0,1,0|1,1,0]=4 880 B8R1.11 CCC1=CC=CN1N PI-40301 [1,0,0,0,1,0|2,0,0]=4 881 B8R1.8 C1=C(NC=N1)CCN PI-44999 [1,0,0,0,1,0|2,0,0]=4 882 B8R1.8 NCCc1cccs1 PI-11168 [1,0,0,0,1,0|1,0,0]=3 883 B8R1.8 NCCc1nc[nH]c1 PI-27712 [1,0,0,0,1,0|2,0,0]=4 884 B8R1.8 NCCn1cncc1 PI-36110 [1,0,0,0,1,0|2,0,0]=4 885 B8R1.8 OCCC1=CSC=C1 PI-42380 [1,0,0,0,1,0|2,0,0]=4 886 B8R1.8 OCCc1cccs1 PI-11150 [1,0,0,0,1,0|2,0,0]=4