0 B9R1.8 BrC#Cc1ccccc1 PI-38808 [0,0,0,0,0,0|1,0,2]=3 1 B9R1.8 C1=CC(=CN=C1)CCO PI-20772 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.8 C1=CC(=CN=C1)N=C=S PI-43942 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.8 C1=CC=C(C=C1)C=CBr PI-12915 [0,0,0,0,0,0|1,0,2]=3 4 B9R1.8 C1=CC=C(C=C1)CCS PI-48520 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.8 C1=CC=C(C=C1)CNN PI-12194 [0,0,0,0,0,0|1,0,0]=1 6 B9R1.8 C1=CC=C(C=C1)CNN PI-12195 [0,0,0,0,0,0|1,0,0]=1 7 B9R1.8 C1=CC=C(C=C1)CON PI-48767 [0,0,0,0,0,0|1,0,0]=1 8 B9R1.8 C1=CC=NC(=C1)CCN PI-33890 [0,0,0,0,0,0|1,0,0]=1 9 B9R1.8 C1=CC=[N+](C=C1)CC#N PI-30212 [0,0,0,0,0,0|1,0,2]=3 10 B9R1.8 C1=CN=C(C=N1)CCS PI-48496 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.8 C1=CN=CC=C1C=NO PI-41016 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.8 C1CCC(=CC1)CCN PI-40143 [0,0,0,0,0,0|0,0,4]=4 13 B9R1.8 C=CCC1=CC=CC=C1 PI-36465 [0,0,0,0,0,0|1,0,1]=2 14 B9R1.8 CC#CC1=CC=CC=C1 PI-48954 [0,0,0,0,0,0|1,0,2]=3 15 B9R1.8 CCCC1=CC=CC=N1 PI-13326 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.8 CCCC1=CC=NC=C1 PI-28052 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.8 CCC[N+]1=CC=CC=C1 PI-13348 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.8 CCOC1=CC=CC=N1 PI-16377 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.8 CCOC1=CC=NC=C1 PI-16378 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.8 CCOC1=NC=CN=C1 PI-11039 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.8 CNCC1=CC=CN=C1 PI-46624 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.8 COCC1=CC=CC=C1 PI-19695 [0,0,0,0,0,0|2,0,0]=2 23 B9R1.8 COCc1ccccn1 PI-38670 [0,0,0,0,0,0|3,0,0]=3 24 B9R1.8 C\C=C\C1=CC=CC=C1 PI-42685 [0,0,0,0,0,0|1,0,2]=3 25 B9R1.8 C\C=C\C1=CC=CC=C1 PI-46536 [0,0,0,0,0,0|1,0,2]=3 26 B9R1.8 N#CCc1ccccn1 PI-16690 [0,0,0,0,0,0|1,0,2]=3 27 B9R1.8 N#CCc1cccnc1 PI-32834 [0,0,0,0,0,0|1,0,2]=3 28 B9R1.8 N#CCc1ccncc1 PI-10376 [0,0,0,0,0,0|1,0,2]=3 29 B9R1.8 NCCc1cccnc1 PI-23439 [0,0,0,0,0,0|1,0,0]=1 30 B9R1.8 NCCc1ccncc1 PI-15907 [0,0,0,0,0,0|1,0,0]=1 31 B9R1.8 NOCc1ccccc1 PI-11329 [0,0,0,0,0,0|1,0,0]=1 32 B9R1.8 O=C=Nc1cccnc1 PI-38566 [0,0,0,0,0,0|3,0,1]=4 33 B9R1.8 OCCC1=CC=NC=C1 PI-27680 [0,0,0,0,0,0|2,0,0]=2 34 B9R1.8 ONCC1=CC=CC=C1 PI-42266 [0,0,0,0,0,0|2,0,0]=2 35 B9R1.8 O\N=C\c1ccccn1 PI-38007 [0,0,0,0,0,0|3,0,1]=4 36 B8R1.2 BrCC1=CC=CC=C1 PI-36476 [1,0,0,0,0,0|1,0,0]=2 37 B8R1.2 BrCC1=CN=CN=C1 PI-40551 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.2 C#CC1=CC=CC=C1 PI-48958 [1,0,0,0,0,0|0,0,2]=3 39 B8R1.2 C#CC1=NC=CC=C1 PI-37137 [1,0,0,0,0,0|1,0,2]=4 40 B8R1.2 C1=C(C=NC=N1)CO PI-32945 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.2 C1=C(N=CC=N1)CN PI-42651 [1,0,0,0,0,0|2,0,0]=3 42 B8R1.2 C1=CC(=CN=C1)CCl PI-16717 [1,0,0,0,0,0|2,0,0]=3 43 B8R1.2 C1=CC(=CN=C1)NN PI-39291 [1,0,0,0,0,0|2,0,0]=3 44 B8R1.2 C1=CC=NC(=C1)NN PI-46991 [1,0,0,0,0,0|2,0,0]=3 45 B8R1.2 C1=CC=NC(=C1)NN PI-50652 [1,0,0,0,0,0|2,0,0]=3 46 B8R1.2 C1=CN=C(C=N1)NN PI-48275 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.2 C1=CN=C(N=C1)CO PI-35153 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.2 C1=CN=CC=C1CCl PI-31734 [1,0,0,0,0,0|2,0,0]=3 49 B8R1.2 C1=CN=CC=C1CO PI-16744 [1,0,0,0,0,0|2,0,0]=3 50 B8R1.2 C1=CN=CN=C1CO PI-35498 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.2 CCC1=CC=CC=N1 PI-49466 [1,0,0,0,0,0|1,0,0]=2 52 B8R1.2 CCC1=NC=CN=C1 PI-11040 [1,0,0,0,0,0|2,0,0]=3 53 B8R1.2 CC[N+]1=CC=CC=C1 PI-13342 [1,0,0,0,0,0|1,0,0]=2 54 B8R1.2 CC[N+]1=CC=CC=C1 PI-13347 [1,0,0,0,0,0|1,0,0]=2 55 B8R1.2 CNC1=CC=CC=N1 PI-11864 [1,0,0,0,0,0|2,0,0]=3 56 B8R1.2 CNC1=CC=NC=C1 PI-23603 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.2 CNC1=CN=CC=C1 PI-11328 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.2 COC1=CC=CC=N1 PI-33887 [1,0,0,0,0,0|2,0,0]=3 59 B8R1.2 COC1=CC=NC=C1 PI-10034 [1,0,0,0,0,0|2,0,0]=3 60 B8R1.2 COC1=CN=CC=C1 PI-33889 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.2 COC1=NC=CN=C1 PI-11859 [1,0,0,0,0,0|3,0,0]=4 62 B8R1.2 CSC1=CC=CC=N1 PI-16757 [1,0,0,0,0,0|2,0,0]=3 63 B8R1.2 CSC1=NC=CN=C1 PI-11048 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.2 ClCC1=CN=CC=N1 PI-39634 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.2 ClCC1=NC=CC=C1 PI-11827 [1,0,0,0,0,0|2,0,0]=3 66 B8R1.2 ClCc1ccccn1 PI-16716 [1,0,0,0,0,0|2,0,0]=3 67 B8R1.2 ClCc1ncccn1 PI-35014 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.2 ClCc1ncccn1 PI-40553 [1,0,0,0,0,0|3,0,0]=4 69 B8R1.2 NCC1=CC=CC=C1 PI-37209 [1,0,0,0,0,0|0,0,0]=1 70 B8R1.2 NCC1=CC=NC=C1 PI-41875 [1,0,0,0,0,0|1,0,0]=2 71 B8R1.2 NCc1ccccn1 PI-33905 [1,0,0,0,0,0|1,0,0]=2 72 B8R1.2 NCc1cccnc1 PI-15236 [1,0,0,0,0,0|1,0,0]=2 73 B8R1.2 NCc1ccncc1 PI-31790 [1,0,0,0,0,0|1,0,0]=2 74 B8R1.2 NCc1ncccn1 PI-34855 [1,0,0,0,0,0|2,0,0]=3 75 B8R1.2 NCc1ncccn1 PI-34856 [1,0,0,0,0,0|2,0,0]=3 76 B8R1.2 NNC1=CC=CC=C1 PI-41551 [1,0,0,0,0,0|1,0,0]=2 77 B8R1.2 O=Cc1ccccn1 PI-33895 [1,0,0,0,0,0|2,0,1]=4 78 B8R1.2 O=Cc1cccnc1 PI-33908 [1,0,0,0,0,0|2,0,1]=4 79 B8R1.2 O=Cc1ccncc1 PI-13140 [1,0,0,0,0,0|2,0,1]=4 80 B8R1.2 OCC1=CC=CN=C1 PI-11019 [1,0,0,0,0,0|2,0,0]=3 81 B8R1.2 OCC1=NC=CC=C1 PI-16261 [1,0,0,0,0,0|2,0,0]=3 82 B8R1.2 OCc1ccncc1 PI-16686 [1,0,0,0,0,0|2,0,0]=3 83 B8R1.2 ONc1ccccc1 PI-38448 [1,0,0,0,0,0|2,0,0]=3 84 B8R1.2 [C-]#CC1=CC=CC=C1 PI-48435 [1,0,0,0,0,0|0,0,2]=3 85 B10R1.1 BrCCc1ccc(Br)cc1 PI-19204 [0,1,0,0,0,0|1,0,0]=2 86 B10R1.1 BrCCc1ccc(C)cc1 PI-21425 [0,1,0,0,0,0|1,0,0]=2 87 B10R1.1 BrCCc1ccc(Cl)cc1 PI-21415 [0,1,0,0,0,0|1,0,0]=2 88 B10R1.1 BrCCc1ccc(F)cc1 PI-21419 [0,1,0,0,0,0|1,0,0]=2 89 B10R1.1 BrCCc1ccc(cc1)O PI-19128 [0,1,0,0,0,0|1,0,0]=2 90 B10R1.1 C1=CC(=CC=C1C=NO)Cl PI-27545 [0,1,0,0,0,0|2,0,1]=4 91 B10R1.1 C1=CC(=CC=C1C=NO)F PI-23440 [0,1,0,0,0,0|2,0,1]=4 92 B10R1.1 C1=CC(=CC=C1CC#N)Br PI-14499 [0,1,0,0,0,0|0,0,2]=3 93 B10R1.1 C1=CC(=CC=C1CC#N)F PI-16868 [0,1,0,0,0,0|0,0,2]=3 94 B10R1.1 C1=CC(=CC=C1CC#N)N PI-30515 [0,1,0,0,0,0|0,0,2]=3 95 B10R1.1 C1=CC(=CC=C1CCCl)F PI-20050 [0,1,0,0,0,0|1,0,0]=2 96 B10R1.1 C1=CC(=CC=C1CCN)F PI-33070 [0,1,0,0,0,0|0,0,0]=1 97 B10R1.1 C1=CC(=CC=C1CCO)Br PI-44966 [0,1,0,0,0,0|1,0,0]=2 98 B10R1.1 C1=CC(=CC=C1CCO)Cl PI-46018 [0,1,0,0,0,0|1,0,0]=2 99 B10R1.1 C1=CC(=CC=C1CCO)N PI-10092 [0,1,0,0,0,0|1,0,0]=2 100 B10R1.1 C1=CC(=CC=C1CCO)O PI-29634 [0,1,0,0,0,0|1,0,0]=2 101 B10R1.1 C1=CC(=CC=C1N=C=O)F PI-19081 [0,1,0,0,0,0|2,0,1]=4 102 B10R1.1 CC1=CC=C(C=C1)N=C=S PI-48734 [0,1,0,0,0,0|2,0,1]=4 103 B10R1.1 CC1=CC=C(C=C1)SCCl PI-19470 [0,1,0,0,0,0|2,0,0]=3 104 B10R1.1 CCCC1=CC=C(C=C1)Br PI-16232 [0,1,0,0,0,0|1,0,0]=2 105 B10R1.1 CCCC1=CC=C(C=C1)I PI-19089 [0,1,0,0,0,0|1,0,0]=2 106 B10R1.1 CCCC1=CC=C(C=C1)O PI-16209 [0,1,0,0,0,0|1,0,0]=2 107 B10R1.1 CCCC1=CN=C(N=C1)Cl PI-20233 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.1 CCOC1=CC=C(C=C1)Br PI-34197 [0,1,0,0,0,0|2,0,0]=3 109 B10R1.1 CCOC1=CC=C(C=C1)I PI-12223 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.1 CCOC1=NC=C(C=C1)Br PI-23209 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.1 CCOc1ccc(cc1)O PI-27806 [0,1,0,0,0,0|2,0,0]=3 112 B10R1.1 CCOc1ccc(cn1)N PI-33888 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.1 CNCC1=CC=C(C=C1)N PI-30552 [0,1,0,0,0,0|2,0,0]=3 114 B10R1.1 FC1=CC=C(OCC)C=C1 PI-22032 [0,1,0,0,0,0|2,0,0]=3 115 B10R1.1 N#CCC1=CC=C(O)C=C1 PI-11988 [0,1,0,0,0,0|0,0,2]=3 116 B10R1.1 N#CCc1ccc(cc1)C PI-12004 [0,1,0,0,0,0|0,0,2]=3 117 B10R1.1 NCCC1=CC=C(Br)C=C1 PI-15694 [0,1,0,0,0,0|0,0,0]=1 118 B10R1.1 NCCc1ccc(Br)cc1 PI-22229 [0,1,0,0,0,0|0,0,0]=1 119 B10R1.1 NCCc1ccc(O)cc1 PI-16006 [0,1,0,0,0,0|0,0,0]=1 120 B10R1.1 NCCc1ccc(O)cc1 PI-16007 [0,1,0,0,0,0|0,0,0]=1 121 B10R1.1 NCCc1ccc(cc1)N PI-10153 [0,1,0,0,0,0|0,0,0]=1 122 B10R1.1 O=C=Nc1ccc(cc1)C PI-11411 [0,1,0,0,0,0|2,0,1]=4 123 B10R1.1 O=C=Nc1ccc(cc1)Cl PI-11417 [0,1,0,0,0,0|2,0,1]=4 124 B10R1.1 OCCc1ccc(F)cc1 PI-28804 [0,1,0,0,0,0|1,0,0]=2 125 B10R1.1 S=C=Nc1ccc(F)cc1 PI-19162 [0,1,0,0,0,0|2,0,1]=4 126 B10R1.1 [C-]#[N+]CC1=CC=C(C=C1)Cl PI-23615 [0,1,0,0,0,0|2,0,0]=3 127 B10R1.4 BrCCc1ccccc1C PI-21423 [0,1,0,0,0,0|1,0,0]=2 128 B10R1.4 BrCCc1ccccc1Cl PI-21413 [0,1,0,0,0,0|1,0,0]=2 129 B10R1.4 BrCCc1ccccc1F PI-34239 [0,1,0,0,0,0|1,0,0]=2 130 B10R1.4 C1=CC=C(C(=C1)C=NN)O PI-27488 [0,1,0,0,0,0|1,0,1]=3 131 B10R1.4 C1=CC=C(C(=C1)C=NO)Br PI-27497 [0,1,0,0,0,0|2,0,1]=4 132 B10R1.4 C1=CC=C(C(=C1)C=NO)Cl PI-23126 [0,1,0,0,0,0|2,0,1]=4 133 B10R1.4 C1=CC=C(C(=C1)CC#N)Br PI-22282 [0,1,0,0,0,0|0,0,2]=3 134 B10R1.4 C1=CC=C(C(=C1)CC#N)F PI-16866 [0,1,0,0,0,0|0,0,2]=3 135 B10R1.4 C1=CC=C(C(=C1)CCO)F PI-23810 [0,1,0,0,0,0|1,0,0]=2 136 B10R1.4 C1=CC=C(C(=C1)CNN)F PI-50605 [0,1,0,0,0,0|1,0,0]=2 137 B10R1.4 C1=CC=C(C(=C1)N=C=O)Br PI-14503 [0,1,0,0,0,0|2,0,1]=4 138 B10R1.4 C1=CC=C(C(=C1)N=C=O)Cl PI-11418 [0,1,0,0,0,0|2,0,1]=4 139 B10R1.4 C1=CC=C(C(=C1)N=C=S)Br PI-14504 [0,1,0,0,0,0|2,0,1]=4 140 B10R1.4 C1=CC=C(C(=C1)N=C=S)F PI-19528 [0,1,0,0,0,0|2,0,1]=4 141 B10R1.4 C=CCC1=CC=CC=C1O PI-46039 [0,1,0,0,0,0|1,0,1]=3 142 B10R1.4 CC1=CC=CC=C1N=C=O PI-11410 [0,1,0,0,0,0|2,0,1]=4 143 B10R1.4 CCNC1=CC=CC=C1F PI-22091 [0,1,0,0,0,0|2,0,0]=3 144 B10R1.4 CCOC1=CC=CC=C1F PI-23815 [0,1,0,0,0,0|2,0,0]=3 145 B10R1.4 CCOC1=CC=CC=C1N PI-30971 [0,1,0,0,0,0|2,0,0]=3 146 B10R1.4 CCOc1ccncc1N PI-33891 [0,1,0,0,0,0|3,0,0]=4 147 B10R1.4 N#CCc1ccccc1Cl PI-11829 [0,1,0,0,0,0|0,0,2]=3 148 B10R1.4 N#CCc1ccccc1N PI-16130 [0,1,0,0,0,0|0,0,2]=3 149 B10R1.4 NCCc1ccccc1Br PI-39292 [0,1,0,0,0,0|0,0,0]=1 150 B10R1.4 NCCc1ccccc1Cl PI-20209 [0,1,0,0,0,0|0,0,0]=1 151 B10R1.4 NCCc1ccccc1F PI-38584 [0,1,0,0,0,0|0,0,0]=1 152 B10R1.4 NOCc1ccccc1Cl PI-39246 [0,1,0,0,0,0|1,0,0]=2 153 B10R1.4 O=C=Nc1ccccc1F PI-26192 [0,1,0,0,0,0|2,0,1]=4 154 B10R1.4 [C-]#[N+]Cc1ccccc1Cl PI-23174 [0,1,0,0,0,0|2,0,0]=3 155 B10R1.10 BrCCc1cccc(C)c1 PI-21424 [0,1,0,0,0,0|1,0,0]=2 156 B10R1.10 BrCCc1cccc(Cl)c1 PI-21414 [0,1,0,0,0,0|1,0,0]=2 157 B10R1.10 C1=CC(=CC(=C1)Br)C=NO PI-27659 [0,1,0,0,0,0|2,0,1]=4 158 B10R1.10 C1=CC(=CC(=C1)Br)CCN PI-48226 [0,1,0,0,0,0|0,0,0]=1 159 B10R1.10 C1=CC(=CC(=C1)Br)N=C=S PI-22498 [0,1,0,0,0,0|2,0,1]=4 160 B10R1.10 C1=CC(=CC(=C1)Cl)C=NO PI-27977 [0,1,0,0,0,0|2,0,1]=4 161 B10R1.10 C1=CC(=CC(=C1)F)CCBr PI-23811 [0,1,0,0,0,0|1,0,0]=2 162 B10R1.10 C1=CC(=CC(=C1)F)N=C=O PI-19552 [0,1,0,0,0,0|2,0,1]=4 163 B10R1.10 C1=CC(=CC(=C1)F)N=C=S PI-19553 [0,1,0,0,0,0|2,0,1]=4 164 B10R1.10 C1=CC(=CC(=C1)O)CCN PI-12399 [0,1,0,0,0,0|0,0,0]=1 165 B10R1.10 C1=CC(=CC(=C1)O)CCO PI-48194 [0,1,0,0,0,0|1,0,0]=2 166 B10R1.10 CC1=CC(=CC=C1)N=C=O PI-50375 [0,1,0,0,0,0|2,0,1]=4 167 B10R1.10 CCCC1=CC(=NC=C1)N PI-19769 [0,1,0,0,0,0|2,0,0]=3 168 B10R1.10 CCOC1=CC(=CC=C1)F PI-33067 [0,1,0,0,0,0|2,0,0]=3 169 B10R1.10 CCOC1=CC(=CC=C1)S PI-21359 [0,1,0,0,0,0|2,0,0]=3 170 B10R1.10 CCOC1=NC=CC(=C1)N PI-31798 [0,1,0,0,0,0|3,0,0]=4 171 B10R1.10 CCOc1cccc(c1)Br PI-38261 [0,1,0,0,0,0|2,0,0]=3 172 B10R1.10 N#CCc1cccc(Cl)c1 PI-11917 [0,1,0,0,0,0|0,0,2]=3 173 B10R1.10 N#CCc1cccc(F)c1 PI-16867 [0,1,0,0,0,0|0,0,2]=3 174 B10R1.10 N#CCc1cccc(c1)Br PI-11912 [0,1,0,0,0,0|0,0,2]=3 175 B10R1.10 NCCc1cccc(c1)F PI-33071 [0,1,0,0,0,0|0,0,0]=1 176 B10R1.10 OCCc1cccc(c1)Cl PI-38594 [0,1,0,0,0,0|1,0,0]=2 177 B10R1.10 [C-]#[N+]Cc1cccc(c1)Cl PI-23614 [0,1,0,0,0,0|2,0,0]=3 178 B10R1.15 BrCC(=O)c1ccccn1 PI-20524 [0,1,0,0,0,0|2,0,1]=4 179 B10R1.15 BrCC(=O)c1ccncc1 PI-20526 [0,1,0,0,0,0|2,0,1]=4 180 B10R1.15 C1=CC(=CN=C1)C(=O)CBr PI-20525 [0,1,0,0,0,0|2,0,1]=4 181 B10R1.15 C1=CC=C(C=C1)C(=O)C#N PI-11000 [0,1,0,0,0,0|0,0,3]=4 182 B10R1.15 C1=CC=C(C=C1)C(=O)C=O PI-30054 [0,1,0,0,0,0|1,0,2]=4 183 B10R1.15 C1=CC=C(C=C1)C(=O)NO PI-10934 [0,1,0,0,0,0|2,0,1]=4 184 B10R1.15 C1=CC=C(C=C1)C(C#N)O PI-38881 [0,1,0,0,0,0|0,0,2]=3 185 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42549 [0,1,0,0,0,0|1,0,0]=2 186 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42550 [0,1,0,0,0,0|1,0,0]=2 187 B10R1.15 C1=CC=C(C=C1)C(CN)O PI-30384 [0,1,0,0,0,0|0,0,0]=1 188 B10R1.15 C1=CC=C(C=C1)C(CO)O PI-19178 [0,1,0,0,0,0|1,0,0]=2 189 B10R1.15 C1=CC=NC(=C1)C(=O)NN PI-50236 [0,1,0,0,0,0|2,0,1]=4 190 B10R1.15 CC(=NO)C1=CC=CC=C1 PI-29764 [0,1,0,0,0,0|2,0,1]=4 191 B10R1.15 CC(C1=CC=CC=C1)NC PI-26776 [0,1,0,0,0,0|2,0,0]=3 192 B10R1.15 CC(CN)C1=CC=CC=C1 PI-10356 [0,1,0,0,0,0|0,0,0]=1 193 B10R1.15 CCC(=O)c1ccncc1 PI-36821 [0,1,0,0,0,0|2,0,1]=4 194 B10R1.15 CCC(C1=CC=CC=C1)N PI-16663 [0,1,0,0,0,0|1,0,0]=2 195 B10R1.15 CCC(O)c1ccccc1 PI-31770 [0,1,0,0,0,0|1,0,0]=2 196 B10R1.15 CCN(C)C1=CC=CC=C1 PI-35465 [0,1,0,0,0,0|2,0,0]=3 197 B10R1.15 CCN(C1=CC=CC=C1)N PI-29822 [0,1,0,0,0,0|2,0,0]=3 198 B10R1.15 CC[C@@H](C1=CC=CC=C1)O PI-49816 [0,1,0,0,0,0|1,0,0]=2 199 B10R1.15 CC[C@@H](c1ccccc1)N PI-16662 [0,1,0,0,0,0|1,0,0]=2 200 B10R1.15 CC[C@H](C1=CC=CC=C1)O PI-49815 [0,1,0,0,0,0|1,0,0]=2 201 B10R1.15 CNC(=O)c1ccccc1 PI-29765 [0,1,0,0,0,0|2,0,1]=4 202 B10R1.15 COC(=N)C1=CC=CC=C1 PI-19741 [0,1,0,0,0,0|2,0,1]=4 203 B10R1.15 C[C@H](CN)c1ccccc1 PI-10355 [0,1,0,0,0,0|0,0,0]=1 204 B10R1.15 NCC(=O)c1ccccc1 PI-29691 [0,1,0,0,0,0|0,0,1]=2 205 B10R1.15 NCC(O)c1ccccc1 PI-17268 [0,1,0,0,0,0|0,0,0]=1 206 B10R1.15 NC[C@H](c1ccccc1)O PI-30721 [0,1,0,0,0,0|0,0,0]=1 207 B10R1.15 NNC(=O)c1cccnc1 PI-18681 [0,1,0,0,0,0|2,0,1]=4 208 B10R1.15 OC(C1=CC=CC=C1)CO PI-39570 [0,1,0,0,0,0|1,0,0]=2 209 B10R1.15 OCC(=O)c1ccccc1 PI-11851 [0,1,0,0,0,0|1,0,1]=3 210 B10R1.15 OC[C@@H](N)c1ccccc1 PI-16634 [0,1,0,0,0,0|1,0,0]=2 211 B10R1.15 OC[C@@H](c1ccccc1)N PI-16633 [0,1,0,0,0,0|1,0,0]=2 212 B10R1.15 OC[C@H](c1ccccc1)O PI-17035 [0,1,0,0,0,0|1,0,0]=2 213 B10R1.15 O\N=C(/c1ccccc1)\Cl PI-23127 [0,1,0,0,0,0|2,0,1]=4 214 B10R1.15 O\N=C(\c1ccccc1)/N PI-14770 [0,1,0,0,0,0|2,0,1]=4 215 B10R1.17 C1=CC(=CN=C1)CCCO PI-33814 [0,1,0,0,0,0|2,0,0]=3 216 B10R1.17 C1=CC=C(C=C1)C#CCO PI-48957 [0,1,0,0,0,0|1,0,1]=3 217 B10R1.17 C1=CC=C(C=C1)CN=C=S PI-28698 [0,1,0,0,0,0|1,0,1]=3 218 B10R1.17 C1=CC=C(C=C1)COCCl PI-28438 [0,1,0,0,0,0|1,0,0]=2 219 B10R1.17 C1=CC=C(C=C1)NNC=O PI-29787 [0,1,0,0,0,0|2,0,1]=4 220 B10R1.17 C1=CC=C(C=C1)OCCBr PI-31495 [0,1,0,0,0,0|1,0,0]=2 221 B10R1.17 C1=CC=C(C=C1)OCCCl PI-12172 [0,1,0,0,0,0|1,0,0]=2 222 B10R1.17 C1=CC=C(C=C1)OCCN PI-12173 [0,1,0,0,0,0|0,0,0]=1 223 B10R1.17 C1=CC=C(C=C1)\C=C\CBr PI-46926 [0,1,0,0,0,0|1,0,1]=3 224 B10R1.17 C=CCOc1ccccc1 PI-36466 [0,1,0,0,0,0|1,0,1]=3 225 B10R1.17 CCCCC1=CC=CC=N1 PI-13327 [0,1,0,0,0,0|2,0,0]=3 226 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13343 [0,1,0,0,0,0|2,0,0]=3 227 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13349 [0,1,0,0,0,0|2,0,0]=3 228 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45700 [0,1,0,0,0,0|2,0,0]=3 229 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45703 [0,1,0,0,0,0|2,0,0]=3 230 B10R1.17 CCCSC1=CC=CC=C1 PI-19961 [0,1,0,0,0,0|1,0,0]=2 231 B10R1.17 CNCCC1=CC=CC=N1 PI-13780 [0,1,0,0,0,0|1,0,0]=2 232 B10R1.17 CNCCC1=CC=CC=N1 PI-13781 [0,1,0,0,0,0|1,0,0]=2 233 B10R1.17 CNCCc1ccncc1 PI-12002 [0,1,0,0,0,0|1,0,0]=2 234 B10R1.17 ClCCCc1ccccc1 PI-33374 [0,1,0,0,0,0|1,0,0]=2 235 B10R1.17 ClCSCc1ccccc1 PI-19537 [0,1,0,0,0,0|1,0,0]=2 236 B10R1.17 N#CSCc1ccccc1 PI-32979 [0,1,0,0,0,0|0,0,2]=3 237 B10R1.17 N#C\C=C\c1ccccc1 PI-12934 [0,1,0,0,0,0|0,0,3]=4 238 B10R1.17 NCCCc1ccccc1 PI-11351 [0,1,0,0,0,0|0,0,0]=1 239 B10R1.17 O=CC#Cc1ccccc1 PI-33868 [0,1,0,0,0,0|1,0,2]=4 240 B10R1.17 OCCCc1ccccn1 PI-33813 [0,1,0,0,0,0|2,0,0]=3 241 B10R1.17 OCCCc1ccncc1 PI-31736 [0,1,0,0,0,0|2,0,0]=3 242 B10R1.17 [NH-]=[N+]=NCc1ccccc1 PI-14174 [0,1,0,0,0,0|1,0,1]=3 243 B10R1.18 B(CC1=CC=CC=C1)(O)O PI-49945 [0,1,0,0,0,0|2,0,0]=3 244 B10R1.18 BrC(=Cc1ccccc1)Br PI-35682 [0,1,0,0,0,0|1,0,2]=4 245 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-13521 [0,1,0,0,0,0|2,0,1]=4 246 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-16758 [0,1,0,0,0,0|2,0,1]=4 247 B10R1.18 C1=CC=C(C=C1)N=C(N)N PI-11304 [0,1,0,0,0,0|1,0,1]=3 248 B10R1.18 C1=CC=C(C=C1)OC(=O)N PI-10948 [0,1,0,0,0,0|1,0,1]=3 249 B10R1.18 C1=CC=NC(=C1)CC(=O)O PI-16725 [0,1,0,0,0,0|2,0,1]=4 250 B10R1.18 C1=CC=[N+](C=C1)CC(=O)N PI-15939 [0,1,0,0,0,0|1,0,1]=3 251 B10R1.18 CC(=CC1=CC=CC=C1)C PI-47118 [0,1,0,0,0,0|1,0,2]=4 252 B10R1.18 CC(=O)CC1=CC=NC=C1 PI-24530 [0,1,0,0,0,0|2,0,1]=4 253 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-17935 [0,1,0,0,0,0|2,0,1]=4 254 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-30609 [0,1,0,0,0,0|2,0,1]=4 255 B10R1.18 CC(C)NC1=CC=CC=C1 PI-11279 [0,1,0,0,0,0|2,0,0]=3 256 B10R1.18 CC(CC1=NC=CC=C1)=O PI-41787 [0,1,0,0,0,0|2,0,1]=4 257 B10R1.18 CC(Cc1ccccn1)C PI-13337 [0,1,0,0,0,0|2,0,0]=3 258 B10R1.18 ClC(=S)Oc1ccccc1 PI-13044 [0,1,0,0,0,0|2,0,1]=4 259 B10R1.18 NC(=Nc1ccccc1)N PI-20950 [0,1,0,0,0,0|1,0,1]=3 260 B10R1.18 OC(=O)Cc1cccnc1 PI-28588 [0,1,0,0,0,0|2,0,1]=4 261 B10R1.18 OC(=O)Cc1ccncc1 PI-16726 [0,1,0,0,0,0|2,0,1]=4 262 B10R2.6 C1CC1c2ccccc2 PI-17840 [0,0,0,1,0,0|1,0,0]=2 263 B10R2.6 O1C[C@@H]1c2ccccc2 PI-10841 [0,0,0,1,0,0|1,0,0]=2 264 B10R2.6 O1C[C@H]1c2ccccc2 PI-10838 [0,0,0,1,0,0|1,0,0]=2 265 B10R2.7 C12=C(CNC1)C=CC=C2 PI-41113 [0,0,0,1,0,0|2,0,0]=3 266 B10R2.7 C1=CC=C2C(=C1)C=CN2 PI-44715 [0,0,0,1,0,0|0,0,2]=3 267 B10R2.7 C1=CC=C2C(=C1)N=CO2 PI-47002 [0,0,0,1,0,0|1,0,2]=4 268 B10R2.7 C1=CC=C2C(=C1)SC=[S+]2 PI-14799 [0,0,0,1,0,0|2,0,1]=4 269 B10R2.7 C1=CN=CC2=C1C=NN2 PI-50033 [0,0,0,1,0,0|2,0,1]=4 270 B10R2.7 C1=C[NH]C2=C1C=CN=C2 PI-10410 [0,0,0,1,0,0|1,0,2]=4 271 B10R2.7 C1=C[NH]C2=C1C=NC=C2 PI-10409 [0,0,0,1,0,0|1,0,2]=4 272 B10R2.7 C1CC2=C(C1)N=CC=C2 PI-12954 [0,0,0,1,0,0|2,0,0]=3 273 B10R2.7 C1CNC2=CC=CC=C21 PI-44710 [0,0,0,1,0,0|0,0,0]=1 274 B10R2.7 C1COC2=CC=CC=C21 PI-21250 [0,0,0,1,0,0|1,0,0]=2 275 B10R2.7 [B]1OC2=CC=CC=C2O1 PI-50000 [0,0,0,1,0,0|3,0,0]=4 276 B10R2.7 c1ccc2c(c1)[nH]cn2 PI-31348 [0,0,0,1,0,0|1,0,1]=3 277 B10R2.7 c1ccc2c(c1)[nH]nc2 PI-31379 [0,0,0,1,0,0|1,0,1]=3 278 B10R2.7 c1ccc2c(c1)non2 PI-38745 [0,0,0,1,0,0|2,0,1]=4 279 B10R2.7 c1ccc2ccsc2c1 PI-14247 [0,0,0,1,0,0|1,0,2]=4 280 B10R2.7 c1ccc2nsnc2c1 PI-11675 [0,0,0,1,0,0|2,0,1]=4 281 B10R2.7 c1cnc2[nH]ccc2c1 PI-16515 [0,0,0,1,0,0|1,0,2]=4 282 B10R2.7 c1cnc2c(c1)CNC2 PI-39410 [0,0,0,1,0,0|3,0,0]=4 283 B10R2.7 c1cnc2c(c1)CNC2 PI-39560 [0,0,0,1,0,0|3,0,0]=4 284 B10R2.7 c1cnc2c(c1)[nH]cc2 PI-10408 [0,0,0,1,0,0|1,0,2]=4 285 B10R2.320 C1=CC=CC2=C1CC2=O PI-40938 [0,0,0,1,0,0|1,0,1]=3 286 B10R2.320 C1C(C2=CC=CC=C21)Br PI-40935 [0,0,0,1,0,0|1,0,0]=2 287 B8R1.8 C1=C(NC=N1)CCN PI-44999 [0,0,0,0,1,0|2,0,0]=3 288 B8R1.8 C1=C(NC=N1)CCO PI-31941 [0,0,0,0,1,0|3,0,0]=4 289 B8R1.8 CCCC1=NC=CN1 PI-24452 [0,0,0,0,1,0|3,0,0]=4 290 B8R1.8 CSCC1=CC=CO1 PI-48491 [0,0,0,0,1,0|3,0,0]=4 291 B8R1.8 ClCCC1=CNC=N1 PI-39992 [0,0,0,0,1,0|3,0,0]=4 292 B8R1.8 N#CCc1cccs1 PI-10786 [0,0,0,0,1,0|1,0,2]=4 293 B8R1.8 N#CCc1cscc1 PI-35071 [0,0,0,0,1,0|1,0,2]=4 294 B8R1.8 NCCc1cccs1 PI-11168 [0,0,0,0,1,0|1,0,0]=2 295 B8R1.8 NCCc1nc[nH]c1 PI-27712 [0,0,0,0,1,0|2,0,0]=3 296 B8R1.8 NCCn1cncc1 PI-36110 [0,0,0,0,1,0|2,0,0]=3 297 B8R1.8 OCCC1=CSC=C1 PI-42380 [0,0,0,0,1,0|2,0,0]=3 298 B8R1.8 OCCc1cccs1 PI-11150 [0,0,0,0,1,0|2,0,0]=3 299 B8R1.8 OCCn1cncc1 PI-20761 [0,0,0,0,1,0|3,0,0]=4 300 B7R1.3 Brc1cccnc1 PI-11914 [2,0,0,0,0,0|2,0,0]=4 301 B7R1.3 Brc1ccncc1 PI-10390 [2,0,0,0,0,0|2,0,0]=4 302 B7R1.3 C1=CC(=CN=C1)I PI-11390 [2,0,0,0,0,0|2,0,0]=4 303 B7R1.3 C1=CC(=CN=C1)O PI-44714 [2,0,0,0,0,0|2,0,0]=4 304 B7R1.3 C1=CC(=CN=C1)[O-] PI-42109 [2,0,0,0,0,0|2,0,0]=4 305 B7R1.3 C1=CC(=O)NC=C1 PI-13304 [2,0,0,0,0,0|2,0,0]=4 306 B7R1.3 C1=CC(=O)NC=C1 PI-49120 [2,0,0,0,0,0|2,0,0]=4 307 B7R1.3 C1=CC(=O)OC=C1 PI-46989 [2,0,0,0,0,0|2,0,0]=4 308 B7R1.3 C1=CC(=S)NC=C1 PI-11854 [2,0,0,0,0,0|2,0,0]=4 309 B7R1.3 C1=CC=C(C=C1)[Si] PI-45035 [2,0,0,0,0,0|0,1,0]=3 310 B7R1.3 C1=CC=NC(=C1)I PI-32173 [2,0,0,0,0,0|2,0,0]=4 311 B7R1.3 C1=CN=C(N=C1)N PI-33106 [2,0,0,0,0,0|2,0,0]=4 312 B7R1.3 C1=CN=CC=C1Cl PI-16703 [2,0,0,0,0,0|2,0,0]=4 313 B7R1.3 C1=CN=CC=C1F PI-10293 [2,0,0,0,0,0|2,0,0]=4 314 B7R1.3 C1=CN=CC=C1F PI-28763 [2,0,0,0,0,0|2,0,0]=4 315 B7R1.3 C1=CN=CC=C1I PI-16167 [2,0,0,0,0,0|2,0,0]=4 316 B7R1.3 C1=CN=CN=C1N PI-34789 [2,0,0,0,0,0|2,0,0]=4 317 B7R1.3 C1=CNC=CC1=S PI-33123 [2,0,0,0,0,0|2,0,0]=4 318 B7R1.3 C1=COC=CC1=O PI-43972 [2,0,0,0,0,0|2,0,0]=4 319 B7R1.3 CC1=CC=CC=N1 PI-38534 [2,0,0,0,0,0|1,0,0]=3 320 B7R1.3 CC1=CN=CN=C1 PI-21343 [2,0,0,0,0,0|2,0,0]=4 321 B7R1.3 CC1=CN=NC=C1 PI-31701 [2,0,0,0,0,0|2,0,0]=4 322 B7R1.3 CC1=NC=CN=C1 PI-48495 [2,0,0,0,0,0|2,0,0]=4 323 B7R1.3 C[N+]1=CC=CC=C1 PI-13346 [2,0,0,0,0,0|1,0,0]=3 324 B7R1.3 C[n+]1ccccc1 PI-17168 [2,0,0,0,0,0|1,0,0]=3 325 B7R1.3 Cc1ncccn1 PI-35192 [2,0,0,0,0,0|2,0,0]=4 326 B7R1.3 Clc1cccnc1 PI-11921 [2,0,0,0,0,0|2,0,0]=4 327 B7R1.3 Fc1ccccn1 PI-11583 [2,0,0,0,0,0|2,0,0]=4 328 B7R1.3 Fc1cccnc1 PI-16759 [2,0,0,0,0,0|2,0,0]=4 329 B7R1.3 Ic1ccccc1 PI-37973 [2,0,0,0,0,0|1,0,0]=3 330 B7R1.3 N[n+]1ccccc1 PI-10984 [2,0,0,0,0,0|1,0,0]=3 331 B7R1.3 Nc1cccnn1 PI-38601 [2,0,0,0,0,0|2,0,0]=4 332 B7R1.3 Nc1ccnnc1 PI-35933 [2,0,0,0,0,0|2,0,0]=4 333 B7R1.3 Nc1cnccn1 PI-29636 [2,0,0,0,0,0|2,0,0]=4 334 B7R1.3 Nc1cncnc1 PI-38883 [2,0,0,0,0,0|2,0,0]=4 335 B7R1.3 O=C1C=CNC=C1 PI-33984 [2,0,0,0,0,0|2,0,0]=4 336 B7R1.3 [S-]c1ccccc1 PI-17985 [2,0,0,0,0,0|1,0,0]=3 337 B9R0.45 CCCC\C=C\C=C\C=O PI-48531 [0,1,1,0,0,0|1,0,1]=4 338 B9R1.1 BrCc1ccc(Br)cc1 PI-11967 [1,1,0,0,0,0|1,0,0]=3 339 B9R1.1 BrCc1ccc(Cl)cc1 PI-15674 [1,1,0,0,0,0|1,0,0]=3 340 B9R1.1 BrCc1ccc(I)cc1 PI-16508 [1,1,0,0,0,0|1,0,0]=3 341 B9R1.1 Brc1ccc(cc1)[N+]#N PI-10983 [1,1,0,0,0,0|1,0,1]=4 342 B9R1.1 C#CC1=CC=C(C=C1)Br PI-30915 [1,1,0,0,0,0|0,0,2]=4 343 B9R1.1 C#Cc1ccc(F)cc1 PI-30917 [1,1,0,0,0,0|0,0,2]=4 344 B9R1.1 C1=CC(=CC=C1C#N)I PI-31146 [1,1,0,0,0,0|0,0,2]=4 345 B9R1.1 C1=CC(=CC=C1C#N)N PI-10997 [1,1,0,0,0,0|0,0,2]=4 346 B9R1.1 C1=CC(=CC=C1C=O)Cl PI-34386 [1,1,0,0,0,0|1,0,1]=4 347 B9R1.1 C1=CC(=CC=C1C=O)F PI-33068 [1,1,0,0,0,0|1,0,1]=4 348 B9R1.1 C1=CC(=CC=C1CBr)F PI-12706 [1,1,0,0,0,0|1,0,0]=3 349 B9R1.1 C1=CC(=CC=C1CCl)Br PI-20545 [1,1,0,0,0,0|1,0,0]=3 350 B9R1.1 C1=CC(=CC=C1CN)Cl PI-11469 [1,1,0,0,0,0|0,0,0]=2 351 B9R1.1 C1=CC(=CC=C1CN)I PI-33700 [1,1,0,0,0,0|0,0,0]=2 352 B9R1.1 C1=CC(=CC=C1CN)O PI-20736 [1,1,0,0,0,0|0,0,0]=2 353 B9R1.1 C1=CC(=CC=C1CO)F PI-16874 [1,1,0,0,0,0|1,0,0]=3 354 B9R1.1 C1=CC(=CC=C1CO)N PI-11961 [1,1,0,0,0,0|1,0,0]=3 355 B9R1.1 C1=CC(=CC=C1CS)F PI-23496 [1,1,0,0,0,0|1,0,0]=3 356 B9R1.1 C1=CC(=CC=C1NN)Br PI-14502 [1,1,0,0,0,0|1,0,0]=3 357 B9R1.1 C1=CC(=CC=C1NN)Br PI-50387 [1,1,0,0,0,0|1,0,0]=3 358 B9R1.1 C1=CC(=CC=C1NN)Br PI-50485 [1,1,0,0,0,0|1,0,0]=3 359 B9R1.1 C1=CC(=CC=C1NN)Cl PI-16438 [1,1,0,0,0,0|1,0,0]=3 360 B9R1.1 C1=CC(=CC=C1NN)Cl PI-50281 [1,1,0,0,0,0|1,0,0]=3 361 B9R1.1 C1=CC(=CC=C1NN)F PI-31312 [1,1,0,0,0,0|1,0,0]=3 362 B9R1.1 C1=CC(=CC=C1NN)I PI-29108 [1,1,0,0,0,0|1,0,0]=3 363 B9R1.1 C1=CC(=NC=C1Br)NN PI-35293 [1,1,0,0,0,0|2,0,0]=4 364 B9R1.1 C1=CC(=NC=C1CBr)Br PI-50654 [1,1,0,0,0,0|2,0,0]=4 365 B9R1.1 C1=CC(=NC=C1CO)N PI-44054 [1,1,0,0,0,0|2,0,0]=4 366 B9R1.1 C=Cc1ccc(cc1)Br PI-22599 [1,1,0,0,0,0|0,0,2]=4 367 B9R1.1 C=Cc1ccc(cc1)Cl PI-38314 [1,1,0,0,0,0|0,0,2]=4 368 B9R1.1 C=Cc1ccc(cc1)N PI-17562 [1,1,0,0,0,0|0,0,2]=4 369 B9R1.1 CC1=CC=C(C=C1)C#C PI-30916 [1,1,0,0,0,0|0,0,2]=4 370 B9R1.1 CC1=CC=C(C=C1)CBr PI-38678 [1,1,0,0,0,0|1,0,0]=3 371 B9R1.1 CC1=CN=C(C=N1)CN PI-48153 [1,1,0,0,0,0|2,0,0]=4 372 B9R1.1 CCC1=CC=C(C=C1)Br PI-16231 [1,1,0,0,0,0|0,0,0]=2 373 B9R1.1 CCC1=CC=C(C=C1)Cl PI-19776 [1,1,0,0,0,0|0,0,0]=2 374 B9R1.1 CCC1=CC=C(C=C1)F PI-22092 [1,1,0,0,0,0|0,0,0]=2 375 B9R1.1 CCC1=CC=C(C=C1)S PI-13700 [1,1,0,0,0,0|0,0,0]=2 376 B9R1.1 CCC1=CN=C(N=C1)Cl PI-21315 [1,1,0,0,0,0|2,0,0]=4 377 B9R1.1 CCc1ccc(C)cc1 PI-36542 [1,1,0,0,0,0|0,0,0]=2 378 B9R1.1 CNC1=CC=C(C=C1)Cl PI-34211 [1,1,0,0,0,0|1,0,0]=3 379 B9R1.1 CNC1=CC=C(C=C1)N PI-10555 [1,1,0,0,0,0|1,0,0]=3 380 B9R1.1 CNC1=CN=C(C=C1)Cl PI-45925 [1,1,0,0,0,0|2,0,0]=4 381 B9R1.1 CNC1=NC=C(Br)C=C1 PI-46679 [1,1,0,0,0,0|2,0,0]=4 382 B9R1.1 CNc1ccc(cc1)Br PI-21585 [1,1,0,0,0,0|1,0,0]=3 383 B9R1.1 COC1=CC=C(C=C1)F PI-12219 [1,1,0,0,0,0|1,0,0]=3 384 B9R1.1 COC1=CC=C(C=C1)S PI-21363 [1,1,0,0,0,0|1,0,0]=3 385 B9R1.1 COC1=CN=C(C=C1)Br PI-45881 [1,1,0,0,0,0|2,0,0]=4 386 B9R1.1 COC1=NC=C(C=C1)F PI-16766 [1,1,0,0,0,0|2,0,0]=4 387 B9R1.1 COc1cc[n+]([O-])cc1 PI-26063 [1,1,0,0,0,0|2,0,0]=4 388 B9R1.1 COc1ccc(Cl)cc1 PI-34198 [1,1,0,0,0,0|1,0,0]=3 389 B9R1.1 COc1ccc(N)cn1 PI-16695 [1,1,0,0,0,0|2,0,0]=4 390 B9R1.1 COc1ccc(O)cn1 PI-26700 [1,1,0,0,0,0|2,0,0]=4 391 B9R1.1 COc1ccc(cc1)Br PI-34196 [1,1,0,0,0,0|1,0,0]=3 392 B9R1.1 COc1ccc(cc1)I PI-33808 [1,1,0,0,0,0|1,0,0]=3 393 B9R1.1 COc1ccc(cc1)O PI-31355 [1,1,0,0,0,0|1,0,0]=3 394 B9R1.1 COc1ccc(cn1)Br PI-22840 [1,1,0,0,0,0|2,0,0]=4 395 B9R1.1 CSC1=CC=C(C=C1)F PI-11986 [1,1,0,0,0,0|1,0,0]=3 396 B9R1.1 CSc1ccc(cc1)O PI-18075 [1,1,0,0,0,0|1,0,0]=3 397 B9R1.1 ClCc1ccc(Cl)nc1 PI-10395 [1,1,0,0,0,0|2,0,0]=4 398 B9R1.1 ClCc1ccc(F)cc1 PI-31364 [1,1,0,0,0,0|1,0,0]=3 399 B9R1.1 N#Cc1ccc(Br)cc1 PI-11462 [1,1,0,0,0,0|0,0,2]=4 400 B9R1.1 N#Cc1ccc(Cl)cc1 PI-11470 [1,1,0,0,0,0|0,0,2]=4 401 B9R1.1 N#Cc1ccc(cc1)F PI-16865 [1,1,0,0,0,0|0,0,2]=4 402 B9R1.1 N#Cc1ccc(cc1)O PI-35246 [1,1,0,0,0,0|0,0,2]=4 403 B9R1.1 NC1=CC=C(SC)C=C1 PI-11963 [1,1,0,0,0,0|1,0,0]=3 404 B9R1.1 NCc1ccc(F)cc1 PI-11985 [1,1,0,0,0,0|0,0,0]=2 405 B9R1.1 NCc1ccc(cc1)Br PI-20544 [1,1,0,0,0,0|0,0,0]=2 406 B9R1.1 NCc1ccc(cc1)Br PI-38542 [1,1,0,0,0,0|0,0,0]=2 407 B9R1.1 NCc1ccc(nc1)Cl PI-39010 [1,1,0,0,0,0|1,0,0]=3 408 B9R1.1 NNc1ccc(C)cc1 PI-13126 [1,1,0,0,0,0|1,0,0]=3 409 B9R1.1 O=Cc1ccc(Br)cc1 PI-12729 [1,1,0,0,0,0|1,0,1]=4 410 B9R1.1 O=Cc1ccc(cc1)I PI-27209 [1,1,0,0,0,0|1,0,1]=4 411 B9R1.1 O=Cc1ccc(cc1)O PI-37802 [1,1,0,0,0,0|1,0,1]=4 412 B9R1.1 OCc1ccc(Cl)nc1 PI-16749 [1,1,0,0,0,0|2,0,0]=4 413 B9R1.1 OCc1ccc(S)cc1 PI-35674 [1,1,0,0,0,0|1,0,0]=3 414 B9R1.1 OCc1ccc(cc1)Cl PI-11977 [1,1,0,0,0,0|1,0,0]=3 415 B9R1.1 OCc1ccc(cc1)I PI-33685 [1,1,0,0,0,0|1,0,0]=3 416 B9R1.1 OCc1ccc(cc1)O PI-29788 [1,1,0,0,0,0|1,0,0]=3 417 B9R1.1 OCc1ccc(cn1)Br PI-10546 [1,1,0,0,0,0|2,0,0]=4 418 B9R1.1 [C-]#[N+]C1=CC=C(C=C1)Br PI-22497 [1,1,0,0,0,0|1,0,1]=4 419 B9R1.2 BrCc1cccc(I)c1 PI-29628 [1,1,0,0,0,0|1,0,0]=3 420 B9R1.2 BrCc1cccc(c1)Br PI-13393 [1,1,0,0,0,0|1,0,0]=3 421 B9R1.2 BrCc1cccc(c1)Cl PI-23167 [1,1,0,0,0,0|1,0,0]=3 422 B9R1.2 C#CC1=CC(=CC=C1)Br PI-30913 [1,1,0,0,0,0|0,0,2]=4 423 B9R1.2 C#CC1=CC(=CC=C1)Cl PI-30914 [1,1,0,0,0,0|0,0,2]=4 424 B9R1.2 C#CC1=CC(=CC=C1)F PI-30388 [1,1,0,0,0,0|0,0,2]=4 425 B9R1.2 C#Cc1cccc(N)c1 PI-10850 [1,1,0,0,0,0|0,0,2]=4 426 B9R1.2 C1=C(C=NC=C1Br)CO PI-47170 [1,1,0,0,0,0|2,0,0]=4 427 B9R1.2 C1=C(C=NC=C1Cl)CO PI-34717 [1,1,0,0,0,0|2,0,0]=4 428 B9R1.2 C1=C(C=NC=C1F)NN PI-48989 [1,1,0,0,0,0|2,0,0]=4 429 B9R1.2 C1=CC(=CC(=C1)Br)C#N PI-30857 [1,1,0,0,0,0|0,0,2]=4 430 B9R1.2 C1=CC(=CC(=C1)Br)CCl PI-35258 [1,1,0,0,0,0|1,0,0]=3 431 B9R1.2 C1=CC(=CC(=C1)Br)CO PI-10954 [1,1,0,0,0,0|1,0,0]=3 432 B9R1.2 C1=CC(=CC(=C1)Cl)CCl PI-34222 [1,1,0,0,0,0|1,0,0]=3 433 B9R1.2 C1=CC(=CC(=C1)Cl)NN PI-29369 [1,1,0,0,0,0|1,0,0]=3 434 B9R1.2 C1=CC(=CC(=C1)F)CBr PI-13389 [1,1,0,0,0,0|1,0,0]=3 435 B9R1.2 C1=CC(=CC(=C1)F)CCl PI-34129 [1,1,0,0,0,0|1,0,0]=3 436 B9R1.2 C1=CC(=CC(=C1)F)CO PI-16873 [1,1,0,0,0,0|1,0,0]=3 437 B9R1.2 C1=CC(=CC(=C1)F)NN PI-29439 [1,1,0,0,0,0|1,0,0]=3 438 B9R1.2 C1=CC(=CC(=C1)I)C=O PI-27854 [1,1,0,0,0,0|1,0,1]=4 439 B9R1.2 C1=CC(=CC(=C1)N)C=O PI-27126 [1,1,0,0,0,0|1,0,1]=4 440 B9R1.2 C1=CC(=CC(=C1)O)C#N PI-35245 [1,1,0,0,0,0|0,0,2]=4 441 B9R1.2 C1=CC(=CC(=C1)O)CBr PI-43991 [1,1,0,0,0,0|1,0,0]=3 442 B9R1.2 C1=CC(=CC(=C1)O)CO PI-11929 [1,1,0,0,0,0|1,0,0]=3 443 B9R1.2 C1=CC(=NC(=C1)Br)CBr PI-34987 [1,1,0,0,0,0|2,0,0]=4 444 B9R1.2 C1=CC(=NC(=C1)Br)CN PI-34988 [1,1,0,0,0,0|1,0,0]=3 445 B9R1.2 C1=CC(=NC(=C1)Br)CO PI-11552 [1,1,0,0,0,0|2,0,0]=4 446 B9R1.2 C1=CC(=NC(=C1)Br)NN PI-34719 [1,1,0,0,0,0|2,0,0]=4 447 B9R1.2 C1=CC(=NC(=C1)Cl)CO PI-35291 [1,1,0,0,0,0|2,0,0]=4 448 B9R1.2 C1=CC(=NC(=C1)Cl)CO PI-35292 [1,1,0,0,0,0|2,0,0]=4 449 B9R1.2 C1=CN=C(C=C1CBr)Br PI-40971 [1,1,0,0,0,0|2,0,0]=4 450 B9R1.2 C1=CN=C(C=C1CO)Br PI-27098 [1,1,0,0,0,0|2,0,0]=4 451 B9R1.2 C1=CN=C(C=C1CO)F PI-44971 [1,1,0,0,0,0|2,0,0]=4 452 B9R1.2 C1=CN=C(C=C1Cl)CO PI-34715 [1,1,0,0,0,0|2,0,0]=4 453 B9R1.2 C=CC1=CC(=CC=C1)Br PI-22598 [1,1,0,0,0,0|0,0,2]=4 454 B9R1.2 C=Cc1cccc(c1)C PI-40767 [1,1,0,0,0,0|0,0,2]=4 455 B9R1.2 CC1=CC(=CC=C1)C=O PI-11938 [1,1,0,0,0,0|1,0,1]=4 456 B9R1.2 CC1=CC(=CC=C1)CN PI-35861 [1,1,0,0,0,0|0,0,0]=2 457 B9R1.2 CC1=NC(=CC=C1)NN PI-36907 [1,1,0,0,0,0|2,0,0]=4 458 B9R1.2 CC1=NC(=CC=C1)OC PI-10858 [1,1,0,0,0,0|2,0,0]=4 459 B9R1.2 CCC1=CC(=CC=C1)Br PI-21410 [1,1,0,0,0,0|0,0,0]=2 460 B9R1.2 CCC1=CC(=NC=C1)Br PI-24478 [1,1,0,0,0,0|1,0,0]=3 461 B9R1.2 CCC1=CC(=NC=N1)Cl PI-47323 [1,1,0,0,0,0|2,0,0]=4 462 B9R1.2 CCc1cccc(N)n1 PI-30318 [1,1,0,0,0,0|1,0,0]=3 463 B9R1.2 CCc1ccnc(c1)N PI-30483 [1,1,0,0,0,0|1,0,0]=3 464 B9R1.2 CNc1cccc(c1)F PI-29299 [1,1,0,0,0,0|1,0,0]=3 465 B9R1.2 COC1=CC(=CC=C1)Br PI-12683 [1,1,0,0,0,0|1,0,0]=3 466 B9R1.2 COC1=CC(=CC=C1)S PI-13025 [1,1,0,0,0,0|1,0,0]=3 467 B9R1.2 COC1=CC(=NC=C1)Cl PI-27253 [1,1,0,0,0,0|2,0,0]=4 468 B9R1.2 COC1=CC(=NC=C1)N PI-31930 [1,1,0,0,0,0|2,0,0]=4 469 B9R1.2 COC1=CC(=O)NC=C1 PI-47311 [1,1,0,0,0,0|2,0,0]=4 470 B9R1.2 COC1=CC(Cl)=CC=C1 PI-31362 [1,1,0,0,0,0|1,0,0]=3 471 B9R1.2 COC1=CC(F)=CC=C1 PI-12220 [1,1,0,0,0,0|1,0,0]=3 472 B9R1.2 COC1=NC(=CC=C1)Br PI-34471 [1,1,0,0,0,0|2,0,0]=4 473 B9R1.2 COC1=NC=CC(=C1)I PI-36520 [1,1,0,0,0,0|2,0,0]=4 474 B9R1.2 COc1cc(Br)cnc1 PI-38259 [1,1,0,0,0,0|2,0,0]=4 475 B9R1.2 COc1cc(Cl)ccn1 PI-26867 [1,1,0,0,0,0|2,0,0]=4 476 B9R1.2 COc1cc(N)ccn1 PI-26277 [1,1,0,0,0,0|2,0,0]=4 477 B9R1.2 COc1cc(N)cnc1 PI-33855 [1,1,0,0,0,0|2,0,0]=4 478 B9R1.2 COc1cccc(c1)O PI-34658 [1,1,0,0,0,0|1,0,0]=3 479 B9R1.2 CSC1=CC(=CC=C1)Br PI-11915 [1,1,0,0,0,0|1,0,0]=3 480 B9R1.2 CSC1=CC(=CC=C1)Cl PI-20243 [1,1,0,0,0,0|1,0,0]=3 481 B9R1.2 CSc1cccc(c1)N PI-11908 [1,1,0,0,0,0|1,0,0]=3 482 B9R1.2 Clc1cccc(c1)C#N PI-31301 [1,1,0,0,0,0|0,0,2]=4 483 B9R1.2 N#Cc1cccc(F)c1 PI-16864 [1,1,0,0,0,0|0,0,2]=4 484 B9R1.2 N#Cc1cccc(c1)I PI-10114 [1,1,0,0,0,0|0,0,2]=4 485 B9R1.2 NCc1cc(Br)ccn1 PI-39476 [1,1,0,0,0,0|1,0,0]=3 486 B9R1.2 NCc1cccc(Cl)c1 PI-15673 [1,1,0,0,0,0|0,0,0]=2 487 B9R1.2 NCc1cccc(c1)Br PI-21372 [1,1,0,0,0,0|0,0,0]=2 488 B9R1.2 NCc1cccc(c1)Br PI-38545 [1,1,0,0,0,0|0,0,0]=2 489 B9R1.2 NCc1cccc(c1)F PI-23480 [1,1,0,0,0,0|0,0,0]=2 490 B9R1.2 NNc1cccc(Cl)n1 PI-34718 [1,1,0,0,0,0|2,0,0]=4 491 B9R1.2 NNc1cccc(c1)Br PI-29422 [1,1,0,0,0,0|1,0,0]=3 492 B9R1.2 NNc1cccc(c1)C PI-29814 [1,1,0,0,0,0|1,0,0]=3 493 B9R1.2 O=Cc1cccc(c1)Br PI-34503 [1,1,0,0,0,0|1,0,1]=4 494 B9R1.2 O=Cc1cccc(c1)Cl PI-27742 [1,1,0,0,0,0|1,0,1]=4 495 B9R1.2 O=Cc1cccc(c1)F PI-11925 [1,1,0,0,0,0|1,0,1]=4 496 B9R1.2 O=Cc1cccc(c1)N PI-11906 [1,1,0,0,0,0|1,0,1]=4 497 B9R1.2 O=Cc1cccc(c1)O PI-34273 [1,1,0,0,0,0|1,0,1]=4 498 B9R1.2 OCC1=CC(C)=NC=C1 PI-36994 [1,1,0,0,0,0|2,0,0]=4 499 B9R1.2 OCC1=CC(N)=CN=C1 PI-35898 [1,1,0,0,0,0|2,0,0]=4 500 B9R1.2 OCc1cccc(c1)C PI-38620 [1,1,0,0,0,0|1,0,0]=3 501 B9R1.2 OCc1cccc(c1)Cl PI-11919 [1,1,0,0,0,0|1,0,0]=3 502 B9R1.2 SCc1cccc(F)c1 PI-23495 [1,1,0,0,0,0|1,0,0]=3 503 B9R1.2 [C-]#[N+]C1=CC(=CC=C1)Br PI-22496 [1,1,0,0,0,0|1,0,1]=4 504 B9R1.6 C1=CC(=CN=C1)C(=O)N PI-14591 [1,1,0,0,0,0|1,0,1]=4 505 B9R1.6 C1=CC(=CN=C1)C(=S)N PI-41116 [1,1,0,0,0,0|1,0,1]=4 506 B9R1.6 C1=CC=C(C=C1)C(=O)Br PI-46923 [1,1,0,0,0,0|1,0,1]=4 507 B9R1.6 C1=CN=CC=C1C(=N)N PI-17542 [1,1,0,0,0,0|1,0,1]=4 508 B9R1.6 C1=CN=CC=C1C(=N)N PI-36524 [1,1,0,0,0,0|1,0,1]=4 509 B9R1.6 C1=CN=CC=C1C(=O)N PI-46036 [1,1,0,0,0,0|1,0,1]=4 510 B9R1.6 C1=CN=CC=C1C(=S)N PI-41117 [1,1,0,0,0,0|1,0,1]=4 511 B9R1.6 CC(=O)C1=CC=CC=N1 PI-48516 [1,1,0,0,0,0|1,0,1]=4 512 B9R1.6 CC(=O)c1cccnc1 PI-32250 [1,1,0,0,0,0|1,0,1]=4 513 B9R1.6 CC(=O)c1ccncc1 PI-38297 [1,1,0,0,0,0|1,0,1]=4 514 B9R1.6 CC(C)c1ccncc1 PI-16693 [1,1,0,0,0,0|1,0,0]=3 515 B9R1.6 CC(C1=CC=CC=C1)N PI-32638 [1,1,0,0,0,0|0,0,0]=2 516 B9R1.6 CC(C1=CN=CN=C1)N PI-43048 [1,1,0,0,0,0|2,0,0]=4 517 B9R1.6 CC(C1=NC=CN=C1)N PI-37121 [1,1,0,0,0,0|2,0,0]=4 518 B9R1.6 CC(c1ccccn1)N PI-38576 [1,1,0,0,0,0|1,0,0]=3 519 B9R1.6 CC(c1ccncc1)N PI-38572 [1,1,0,0,0,0|1,0,0]=3 520 B9R1.6 CN(C)c1ccncc1 PI-16263 [1,1,0,0,0,0|2,0,0]=4 521 B9R1.6 CN(C1=CC=CC=C1)N PI-29778 [1,1,0,0,0,0|1,0,0]=3 522 B9R1.6 C[C@@H](C1=CC=CC=C1)O PI-50011 [1,1,0,0,0,0|0,0,0]=2 523 B9R1.6 C[C@@H](C1=CC=NC=C1)O PI-49831 [1,1,0,0,0,0|1,0,0]=3 524 B9R1.6 C[C@@H](N)c1ccccn1 PI-36896 [1,1,0,0,0,0|1,0,0]=3 525 B9R1.6 C[C@@H](O)C1=NC=CC=C1 PI-42552 [1,1,0,0,0,0|1,0,0]=3 526 B9R1.6 C[C@@H](c1ccccc1)N PI-11219 [1,1,0,0,0,0|0,0,0]=2 527 B9R1.6 C[C@H](C1=CC=NC=C1)O PI-49830 [1,1,0,0,0,0|1,0,0]=3 528 B9R1.6 C[C@H](O)C1=NC=CC=C1 PI-42531 [1,1,0,0,0,0|1,0,0]=3 529 B9R1.6 C[C@H](c1ccccc1)N PI-11221 [1,1,0,0,0,0|0,0,0]=2 530 B9R1.6 C[C@H](c1ccccc1)O PI-38963 [1,1,0,0,0,0|0,0,0]=2 531 B9R1.6 C[SiH](c1ccccc1)C PI-39122 [1,1,0,0,0,0|0,1,0]=3 532 B9R1.6 FC(c1ccccn1)F PI-35198 [1,1,0,0,0,0|2,0,0]=4 533 B9R1.6 N=C(C1=CC=CN=C1)N PI-36525 [1,1,0,0,0,0|1,0,1]=4 534 B9R1.6 N=C(N)C1=CN=CC=C1 PI-30891 [1,1,0,0,0,0|1,0,1]=4 535 B9R1.6 NC(=N)c1ccccc1 PI-30200 [1,1,0,0,0,0|0,0,1]=3 536 B9R1.6 NC(=N)c1ccccn1 PI-30669 [1,1,0,0,0,0|1,0,1]=4 537 B9R1.6 NC(=O)c1cccnc1 PI-12870 [1,1,0,0,0,0|1,0,1]=4 538 B9R1.6 NC(=S)c1ccccc1 PI-29356 [1,1,0,0,0,0|0,0,1]=3 539 B9R1.6 OB(O)c1ccccc1 PI-16480 [1,1,0,0,0,0|2,0,0]=4 540 B9R1.15 BrCc1ccccc1Br PI-11809 [1,1,0,0,0,0|1,0,0]=3 541 B9R1.15 BrCc1ccccc1I PI-29573 [1,1,0,0,0,0|1,0,0]=3 542 B9R1.15 C#CC1=CC=CC=C1Cl PI-30962 [1,1,0,0,0,0|0,0,2]=4 543 B9R1.15 C#CC1=CC=CC=C1F PI-30912 [1,1,0,0,0,0|0,0,2]=4 544 B9R1.15 C#Cc1ccccc1Br PI-30911 [1,1,0,0,0,0|0,0,2]=4 545 B9R1.15 C1=CC(=C(N=C1)CBr)Br PI-47183 [1,1,0,0,0,0|2,0,0]=4 546 B9R1.15 C1=CC(=C(N=C1)CN)F PI-49343 [1,1,0,0,0,0|1,0,0]=3 547 B9R1.15 C1=CC(=C(N=C1)CO)Br PI-44198 [1,1,0,0,0,0|2,0,0]=4 548 B9R1.15 C1=CC(=C(N=C1)CO)O PI-16743 [1,1,0,0,0,0|2,0,0]=4 549 B9R1.15 C1=CC(=C(N=C1)Cl)CO PI-33153 [1,1,0,0,0,0|2,0,0]=4 550 B9R1.15 C1=CC(=C(N=C1)NN)Cl PI-45938 [1,1,0,0,0,0|2,0,0]=4 551 B9R1.15 C1=CC=C(C(=C1)C#N)I PI-10113 [1,1,0,0,0,0|0,0,2]=4 552 B9R1.15 C1=CC=C(C(=C1)C=O)Br PI-11807 [1,1,0,0,0,0|1,0,1]=4 553 B9R1.15 C1=CC=C(C(=C1)CBr)Cl PI-11821 [1,1,0,0,0,0|1,0,0]=3 554 B9R1.15 C1=CC=C(C(=C1)CBr)F PI-28536 [1,1,0,0,0,0|1,0,0]=3 555 B9R1.15 C1=CC=C(C(=C1)CCl)F PI-34128 [1,1,0,0,0,0|1,0,0]=3 556 B9R1.15 C1=CC=C(C(=C1)CN)Br PI-11810 [1,1,0,0,0,0|0,0,0]=2 557 B9R1.15 C1=CC=C(C(=C1)CN)Cl PI-11822 [1,1,0,0,0,0|0,0,0]=2 558 B9R1.15 C1=CC=C(C(=C1)CN)F PI-31326 [1,1,0,0,0,0|0,0,0]=2 559 B9R1.15 C1=CC=C(C(=C1)CO)Br PI-30250 [1,1,0,0,0,0|1,0,0]=3 560 B9R1.15 C1=CC=C(C(=C1)CO)Cl PI-23166 [1,1,0,0,0,0|1,0,0]=3 561 B9R1.15 C1=CC=C(C(=C1)CO)N PI-11798 [1,1,0,0,0,0|1,0,0]=3 562 B9R1.15 C1=CC=C(C(=C1)CS)Br PI-20548 [1,1,0,0,0,0|1,0,0]=3 563 B9R1.15 C1=CC=C(C(=C1)CS)Cl PI-11007 [1,1,0,0,0,0|1,0,0]=3 564 B9R1.15 C1=CC=C(C(=C1)NN)Br PI-11813 [1,1,0,0,0,0|1,0,0]=3 565 B9R1.15 C1=CC=C(C(=C1)NN)Cl PI-29581 [1,1,0,0,0,0|1,0,0]=3 566 B9R1.15 C1=CC=C(C(=C1)NN)F PI-16908 [1,1,0,0,0,0|1,0,0]=3 567 B9R1.15 C1=CC=C(C(=C1)NN)F PI-31140 [1,1,0,0,0,0|1,0,0]=3 568 B9R1.15 C1=CN=CC(=C1Cl)CO PI-34716 [1,1,0,0,0,0|2,0,0]=4 569 B9R1.15 C=CC1=CC=CC=C1Br PI-14519 [1,1,0,0,0,0|0,0,2]=4 570 B9R1.15 C=Cc1ccccc1F PI-33746 [1,1,0,0,0,0|0,0,2]=4 571 B9R1.15 CC1=CC=CC=C1C=O PI-27677 [1,1,0,0,0,0|1,0,1]=4 572 B9R1.15 CCC1=CC=CC=C1Br PI-19276 [1,1,0,0,0,0|0,0,0]=2 573 B9R1.15 CCC1=CC=CC=C1Cl PI-19970 [1,1,0,0,0,0|0,0,0]=2 574 B9R1.15 CCC1=CC=CC=C1I PI-19242 [1,1,0,0,0,0|0,0,0]=2 575 B9R1.15 CCC1=NC=CN=C1C PI-11842 [1,1,0,0,0,0|2,0,0]=4 576 B9R1.15 CC[N+]1=CC=CC=C1Br PI-14423 [1,1,0,0,0,0|1,0,0]=3 577 B9R1.15 CC[N+]1=CC=CC=C1C PI-39505 [1,1,0,0,0,0|1,0,0]=3 578 B9R1.15 CCc1ccccc1C PI-36541 [1,1,0,0,0,0|0,0,0]=2 579 B9R1.15 CCc1nccnc1C PI-11841 [1,1,0,0,0,0|2,0,0]=4 580 B9R1.15 CCc1ncncc1F PI-15252 [1,1,0,0,0,0|2,0,0]=4 581 B9R1.15 CNC1=CC=CC=C1F PI-28236 [1,1,0,0,0,0|1,0,0]=3 582 B9R1.15 CNC1=CC=CC=C1N PI-23401 [1,1,0,0,0,0|1,0,0]=3 583 B9R1.15 CNC1=CC=CC=C1N PI-28564 [1,1,0,0,0,0|1,0,0]=3 584 B9R1.15 CNc1cccnc1Cl PI-32645 [1,1,0,0,0,0|2,0,0]=4 585 B9R1.15 COC1=C(C=CC=N1)Br PI-26112 [1,1,0,0,0,0|2,0,0]=4 586 B9R1.15 COC1=C(C=CC=N1)N PI-24213 [1,1,0,0,0,0|2,0,0]=4 587 B9R1.15 COC1=C(N=CC=C1)I PI-26982 [1,1,0,0,0,0|2,0,0]=4 588 B9R1.15 COC1=CC=CC=C1Br PI-34200 [1,1,0,0,0,0|1,0,0]=3 589 B9R1.15 COC1=CC=CC=C1Cl PI-34199 [1,1,0,0,0,0|1,0,0]=3 590 B9R1.15 COC1=CC=CC=C1F PI-12348 [1,1,0,0,0,0|1,0,0]=3 591 B9R1.15 COC1=CC=CC=C1I PI-50209 [1,1,0,0,0,0|1,0,0]=3 592 B9R1.15 COc1ccc[nH]c1=O PI-26288 [1,1,0,0,0,0|2,0,0]=4 593 B9R1.15 COc1ccccc1S PI-21364 [1,1,0,0,0,0|1,0,0]=3 594 B9R1.15 COc1cccnc1Br PI-26342 [1,1,0,0,0,0|2,0,0]=4 595 B9R1.15 COc1cccnc1Cl PI-27671 [1,1,0,0,0,0|2,0,0]=4 596 B9R1.15 CSC1=CC=CC=C1Br PI-11815 [1,1,0,0,0,0|1,0,0]=3 597 B9R1.15 CSC1=CC=CC=C1Cl PI-11833 [1,1,0,0,0,0|1,0,0]=3 598 B9R1.15 CSC1=CC=CC=C1F PI-11849 [1,1,0,0,0,0|1,0,0]=3 599 B9R1.15 CSC1=CC=CC=C1O PI-20874 [1,1,0,0,0,0|1,0,0]=3 600 B9R1.15 CSc1ccccc1I PI-13705 [1,1,0,0,0,0|1,0,0]=3 601 B9R1.15 N#Cc1ccccc1Br PI-11808 [1,1,0,0,0,0|0,0,2]=4 602 B9R1.15 N#Cc1ccccc1Cl PI-34735 [1,1,0,0,0,0|0,0,2]=4 603 B9R1.15 N#Cc1ccccc1F PI-27555 [1,1,0,0,0,0|0,0,2]=4 604 B9R1.15 N#Cc1ccccc1N PI-11517 [1,1,0,0,0,0|0,0,2]=4 605 B9R1.15 N#Cc1ccccc1O PI-11836 [1,1,0,0,0,0|0,0,2]=4 606 B9R1.15 NC1=NC=CC=C1OC PI-39996 [1,1,0,0,0,0|2,0,0]=4 607 B9R1.15 NCC1=NC=CN=C1Cl PI-42457 [1,1,0,0,0,0|2,0,0]=4 608 B9R1.15 NCc1ccccc1Br PI-38543 [1,1,0,0,0,0|0,0,0]=2 609 B9R1.15 NCc1ncccc1C PI-36263 [1,1,0,0,0,0|1,0,0]=3 610 B9R1.15 NNc1ccccc1C PI-29808 [1,1,0,0,0,0|1,0,0]=3 611 B9R1.15 O=CC1=CC=CC=C1I PI-27403 [1,1,0,0,0,0|1,0,1]=4 612 B9R1.15 O=Cc1ccccc1Cl PI-34387 [1,1,0,0,0,0|1,0,1]=4 613 B9R1.15 O=Cc1ccccc1F PI-27600 [1,1,0,0,0,0|1,0,1]=4 614 B9R1.15 OCc1ccccc1F PI-28537 [1,1,0,0,0,0|1,0,0]=3 615 B9R1.15 OCc1ccccc1O PI-36548 [1,1,0,0,0,0|1,0,0]=3 616 B9R1.15 OCc1cccnc1N PI-33953 [1,1,0,0,0,0|2,0,0]=4 617 B9R1.15 SCc1ccccc1F PI-23494 [1,1,0,0,0,0|1,0,0]=3 618 B9R1.15 [C-]#[N+]c1ccccc1Br PI-22495 [1,1,0,0,0,0|1,0,1]=4 619 B9R1.11 NCC(c1ccco1)O PI-15941 [0,1,0,0,1,0|1,0,0]=3 620 B9R1.12 CCCCC1=CC=CS1 PI-44597 [0,1,0,0,1,0|2,0,0]=4 621 B9R1.12 CCCCC1=CSC=C1 PI-36456 [0,1,0,0,1,0|2,0,0]=4 622 B9R1.12 NCCCn1cncc1 PI-32647 [0,1,0,0,1,0|2,0,0]=4 623 B9R1.13 CC(N)CC1=CC=CS1 PI-40008 [0,1,0,0,1,0|1,0,0]=3 624 B9R1.13 CC(N)Cc1ccco1 PI-36445 [0,1,0,0,1,0|1,0,0]=3 625 B11R1.1 C#CCOc1ccc(cc1)N PI-38734 [0,2,0,0,0,0|1,0,1]=4 626 B11R1.1 C1=CC(=CC=C1CCC#N)Br PI-22541 [0,2,0,0,0,0|0,0,1]=3 627 B11R1.1 C1=CC(=CC=C1CCC=O)F PI-45774 [0,2,0,0,0,0|1,0,0]=3 628 B11R1.1 C1=CC(=CC=C1CCCO)Cl PI-20215 [0,2,0,0,0,0|1,0,0]=3 629 B11R1.1 C1=CC(=CC=C1CCCO)O PI-46961 [0,2,0,0,0,0|1,0,0]=3 630 B11R1.1 C1=CC(=CC=C1CN=C=S)Cl PI-23618 [0,2,0,0,0,0|1,0,1]=4 631 B11R1.1 C1=CC(=CC=C1CN=C=S)F PI-23493 [0,2,0,0,0,0|1,0,1]=4 632 B11R1.1 C1=CC(=CC=C1F)SCC#N PI-29273 [0,2,0,0,0,0|0,0,2]=4 633 B11R1.1 C1=CC(=CC=C1N)OCCCl PI-47269 [0,2,0,0,0,0|1,0,0]=3 634 B11R1.1 C1=CC(=CC=C1OCCO)Br PI-19473 [0,2,0,0,0,0|1,0,0]=3 635 B11R1.1 C1=CC(=CC=C1OCCO)Cl PI-19256 [0,2,0,0,0,0|1,0,0]=3 636 B11R1.1 C1=CC(=CC=C1SCC#N)Cl PI-30240 [0,2,0,0,0,0|0,0,2]=4 637 B11R1.1 C=CCOC1=CC=C(C=C1)Cl PI-30132 [0,2,0,0,0,0|1,0,1]=4 638 B11R1.1 CC1=CC=C(C=C1)CCC=C PI-50176 [0,2,0,0,0,0|1,0,0]=3 639 B11R1.1 CC1=CC=C(C=C1)CN=C=O PI-11439 [0,2,0,0,0,0|1,0,1]=4 640 B11R1.1 CC1=CC=C(C=C1)OCC#N PI-30497 [0,2,0,0,0,0|0,0,2]=4 641 B11R1.1 CCCCC1=CC=C(C=C1)C PI-19171 [0,2,0,0,0,0|1,0,0]=3 642 B11R1.1 CCCCC1=CC=C(C=C1)O PI-11971 [0,2,0,0,0,0|1,0,0]=3 643 B11R1.1 CCCC[N+]1=CC=C(C=C1)C PI-17144 [0,2,0,0,0,0|2,0,0]=4 644 B11R1.1 CCCCc1ccc(Br)cc1 PI-30595 [0,2,0,0,0,0|1,0,0]=3 645 B11R1.1 CCCOC1=CC=C(C=C1)Br PI-30574 [0,2,0,0,0,0|1,0,0]=3 646 B11R1.1 CCCOc1ccc(cc1)O PI-16211 [0,2,0,0,0,0|1,0,0]=3 647 B11R1.1 CCOCC1=CN=C(C=C1)N PI-44053 [0,2,0,0,0,0|2,0,0]=4 648 B11R1.1 CNCCC1=CC=C(C=C1)O PI-43105 [0,2,0,0,0,0|0,0,0]=2 649 B11R1.1 COCCc1ccc(O)cc1 PI-12149 [0,2,0,0,0,0|1,0,0]=3 650 B11R1.1 ClCCOc1ccc(cc1)Cl PI-13022 [0,2,0,0,0,0|1,0,0]=3 651 B11R1.1 N#CCOc1ccc(F)cc1 PI-23816 [0,2,0,0,0,0|0,0,2]=4 652 B11R1.1 N#CCOc1ccc(cc1)Cl PI-30527 [0,2,0,0,0,0|0,0,2]=4 653 B11R1.1 O=C=NCc1ccc(cc1)F PI-19104 [0,2,0,0,0,0|1,0,1]=4 654 B11R1.1 OC1=CC=C(CCC#N)C=C1 PI-11502 [0,2,0,0,0,0|0,0,1]=3 655 B11R1.1 OCC#Cc1ccc(Cl)cc1 PI-20218 [0,2,0,0,0,0|1,0,1]=4 656 B11R1.1 OCCCc1ccc(cc1)Br PI-39007 [0,2,0,0,0,0|1,0,0]=3 657 B11R1.1 [C-]#[N+]CCc1ccc(Br)cc1 PI-22265 [0,2,0,0,0,0|0,0,1]=3 658 B11R1.1 [C-]#[N+]CCc1ccc(F)cc1 PI-23814 [0,2,0,0,0,0|0,0,1]=3 659 B11R1.20 C1=CC(=CC=C1CC(=O)Cl)F PI-28554 [0,2,0,0,0,0|1,0,1]=4 660 B11R1.20 C1=CC(=CC=C1CC(=O)N)O PI-16441 [0,2,0,0,0,0|0,0,1]=3 661 B11R1.20 C1=CC(=CC=C1CC(=O)O)Br PI-12711 [0,2,0,0,0,0|1,0,1]=4 662 B11R1.20 C1=CC(=CC=C1CC(=O)O)Cl PI-32618 [0,2,0,0,0,0|1,0,1]=4 663 B11R1.20 C1=CC(=CC=C1CC(=O)O)N PI-25083 [0,2,0,0,0,0|1,0,1]=4 664 B11R1.20 C1=CC(=CC=C1CC(C)=O)F PI-39618 [0,2,0,0,0,0|1,0,1]=4 665 B11R1.20 C1=CC(=CC=C1N)N=C(N)N PI-47263 [0,2,0,0,0,0|1,0,1]=4 666 B11R1.20 C1=CC(=CC=C1N)OC(F)F PI-21176 [0,2,0,0,0,0|2,0,0]=4 667 B11R1.20 C1=CC(=CC=C1N=C(N)N)I PI-47260 [0,2,0,0,0,0|1,0,1]=4 668 B11R1.20 CC(=O)Cc1ccc(cc1)Br PI-38548 [0,2,0,0,0,0|1,0,1]=4 669 B11R1.20 CC(C)CC1=CC=C(C=C1)Br PI-13179 [0,2,0,0,0,0|1,0,0]=3 670 B11R1.20 CC(C)NC1=CC=C(C=C1)F PI-42945 [0,2,0,0,0,0|2,0,0]=4 671 B11R1.20 CC(C)OC1=CC=C(C=C1)N PI-28808 [0,2,0,0,0,0|2,0,0]=4 672 B11R1.20 CC1=CC=C(C=C1)CC(=O)O PI-30795 [0,2,0,0,0,0|1,0,1]=4 673 B11R1.20 CC1=CC=C(C=C1)NC(=O)N PI-24527 [0,2,0,0,0,0|1,0,1]=4 674 B11R1.20 CC1=CC=C(C=C1)NC(=S)N PI-24528 [0,2,0,0,0,0|1,0,1]=4 675 B11R1.20 CC1=CC=C(C=C1)OC(F)F PI-21199 [0,2,0,0,0,0|2,0,0]=4 676 B11R1.20 ClC(=O)Cc1ccc(Br)cc1 PI-22240 [0,2,0,0,0,0|1,0,1]=4 677 B11R1.20 ClC(=O)Cc1ccc(C)cc1 PI-24891 [0,2,0,0,0,0|1,0,1]=4 678 B11R1.20 FC(Oc1ccc(cc1)Br)F PI-21193 [0,2,0,0,0,0|2,0,0]=4 679 B11R1.20 FC(Oc1ccc(cc1)I)F PI-21194 [0,2,0,0,0,0|2,0,0]=4 680 B11R1.20 NC(=S)Nc1ccc(cc1)Br PI-22567 [0,2,0,0,0,0|1,0,1]=4 681 B11R1.20 NC(=S)Nc1ccc(cc1)Cl PI-30541 [0,2,0,0,0,0|1,0,1]=4 682 B11R1.20 NC(=S)Nc1ccc(cc1)O PI-20852 [0,2,0,0,0,0|1,0,1]=4 683 B11R1.20 OC(=O)Cc1ccc(F)cc1 PI-16969 [0,2,0,0,0,0|1,0,1]=4 684 B11R1.20 OC(=O)Cc1ccc(I)cc1 PI-30230 [0,2,0,0,0,0|1,0,1]=4 685 B11R1.20 OC(=O)Cc1ccc(O)cc1 PI-11992 [0,2,0,0,0,0|1,0,1]=4 686 B11R1.20 OC(=O)Cc1ccc(S)cc1 PI-30560 [0,2,0,0,0,0|1,0,1]=4 687 B11R1.22 BrCC(=O)c1ccc(F)cc1 PI-16507 [0,2,0,0,0,0|1,0,1]=4 688 B11R1.22 BrCC(=O)c1ccc(cc1)Cl PI-12174 [0,2,0,0,0,0|1,0,1]=4 689 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O PI-10322 [0,2,0,0,0,0|1,0,1]=4 690 B11R1.22 C1=CC(=CC=C1C(=O)CCl)F PI-28553 [0,2,0,0,0,0|1,0,1]=4 691 B11R1.22 C1=CC(=CC=C1C(=O)CF)Cl PI-30480 [0,2,0,0,0,0|1,0,1]=4 692 B11R1.22 C1=CC(=CC=C1C(=O)CN)Br PI-29690 [0,2,0,0,0,0|0,0,1]=3 693 B11R1.22 C1=CC(=CC=C1C(=O)CN)Cl PI-16147 [0,2,0,0,0,0|0,0,1]=3 694 B11R1.22 C1=CC(=CC=C1C(=O)CN)F PI-10226 [0,2,0,0,0,0|0,0,1]=3 695 B11R1.22 C1=CC(=CC=C1C(=O)CN)O PI-49411 [0,2,0,0,0,0|0,0,1]=3 696 B11R1.22 C1=CC(=CC=C1C(=O)CO)Br PI-30487 [0,2,0,0,0,0|1,0,1]=4 697 B11R1.22 C1=CC(=CC=C1C(=O)CO)Cl PI-30418 [0,2,0,0,0,0|1,0,1]=4 698 B11R1.22 C1=CC(=CC=C1C(=O)CO)F PI-30583 [0,2,0,0,0,0|1,0,1]=4 699 B11R1.22 C1=CC(=CC=C1C(=O)NN)Br PI-20532 [0,2,0,0,0,0|1,0,1]=4 700 B11R1.22 C1=CC(=CC=C1C(=O)NN)F PI-23456 [0,2,0,0,0,0|1,0,1]=4 701 B11R1.22 C1=CC(=CC=C1C(=O)NN)I PI-50270 [0,2,0,0,0,0|1,0,1]=4 702 B11R1.22 C1=CC(=CC=C1C(=O)NN)N PI-50237 [0,2,0,0,0,0|1,0,1]=4 703 B11R1.22 C1=CC(=CC=C1C(=O)NN)O PI-50238 [0,2,0,0,0,0|1,0,1]=4 704 B11R1.22 C1=CC(=CC=C1C(C#N)N)F PI-15928 [0,2,0,0,0,0|0,0,2]=4 705 B11R1.22 C1=CC(=CC=C1[C@@H](CCl)O)F PI-49814 [0,2,0,0,0,0|1,0,0]=3 706 B11R1.22 CC1=CC=C(C=C1)C(=O)CBr PI-27801 [0,2,0,0,0,0|1,0,1]=4 707 B11R1.22 CC1=CC=C(C=C1)C(=O)CN PI-30703 [0,2,0,0,0,0|0,0,1]=3 708 B11R1.22 CC1=CC=C(C=C1)C(=O)NN PI-24359 [0,2,0,0,0,0|1,0,1]=4 709 B11R1.22 CCC(=O)C1=CC=C(C=C1)Br PI-12718 [0,2,0,0,0,0|1,0,1]=4 710 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PI-17560 [0,2,0,0,0,0|1,0,1]=4 711 B11R1.22 CCN(C1=CC=C(C=C1)C)N PI-29774 [0,2,0,0,0,0|2,0,0]=4 712 B11R1.22 NNC(=O)c1ccc(cc1)Cl PI-23138 [0,2,0,0,0,0|1,0,1]=4 713 B11R1.81 C1=CC(=C(C=C1Cl)Cl)CC#N PI-32218 [0,2,0,0,0,0|0,0,2]=4 714 B11R1.81 C1=CC(=C(C=C1Cl)Cl)CCN PI-11209 [0,2,0,0,0,0|0,0,0]=2 715 B11R1.81 C1=CC(=C(C=C1Cl)Cl)CCO PI-35237 [0,2,0,0,0,0|1,0,0]=3 716 B11R1.81 C1=CC(=C(C=C1Cl)F)CC#N PI-35241 [0,2,0,0,0,0|0,0,2]=4 717 B11R1.81 C1=CC(=C(C=C1F)Cl)CC#N PI-20106 [0,2,0,0,0,0|0,0,2]=4 718 B11R1.81 C1=CC(=C(C=C1F)Cl)CCO PI-17322 [0,2,0,0,0,0|1,0,0]=3 719 B11R1.81 C1=CC(=C(C=C1F)F)CC#N PI-28729 [0,2,0,0,0,0|0,0,2]=4 720 B11R1.81 CC1=CC(=C(C=C1)CCN)C PI-23898 [0,2,0,0,0,0|0,0,0]=2 721 B11R1.81 CCCC1=C(C=C(C=C1)O)O PI-19259 [0,2,0,0,0,0|1,0,0]=3 722 B11R1.81 CCNC1=C(C=C(C=C1)Cl)N PI-20049 [0,2,0,0,0,0|2,0,0]=4 723 B11R1.81 N#CCc1ccc(Br)cc1F PI-35860 [0,2,0,0,0,0|0,0,2]=4 724 B11R1.83 C1=CC(=CC=C1CCN)C#N PI-48254 [0,2,0,0,0,0|0,0,0]=2 725 B11R1.83 CCCC1=CC=C(C=C1)C#C PI-30797 [0,2,0,0,0,0|1,0,0]=3 726 B11R1.83 CCCC1=CC=C(C=C1)C=O PI-27431 [0,2,0,0,0,0|1,0,0]=3 727 B11R1.83 CCCC1=NC=C(C=C1)C=O PI-44043 [0,2,0,0,0,0|2,0,0]=4 728 B11R1.83 CCOC1=CC=C(C=C1)C#C PI-30939 [0,2,0,0,0,0|2,0,0]=4 729 B11R1.83 CCOC1=CC=C(C=C1)C#N PI-50300 [0,2,0,0,0,0|2,0,0]=4 730 B11R1.83 CCOC1=CC=C(C=C1)C=O PI-50245 [0,2,0,0,0,0|2,0,0]=4 731 B11R1.83 CCSC1=CC=C(C=C1)C=O PI-27942 [0,2,0,0,0,0|2,0,0]=4 732 B11R1.83 COC1=CC=C(C=C1)CC#N PI-31718 [0,2,0,0,0,0|0,0,2]=4 733 B11R1.83 COC1=CC=C(C=C1)CCO PI-35236 [0,2,0,0,0,0|1,0,0]=3 734 B11R1.83 COC1=CC=C(C=C1)CNN PI-50561 [0,2,0,0,0,0|1,0,0]=3 735 B11R1.83 COC1=CC=C(C=C1)CNO PI-44099 [0,2,0,0,0,0|2,0,0]=4 736 B11R1.83 COCc1ccc(cc1)OC PI-35666 [0,2,0,0,0,0|2,0,0]=4 737 B11R1.83 CSC1=CC=C(C=C1)CC#N PI-50651 [0,2,0,0,0,0|0,0,2]=4 738 B11R1.83 NCCc1ccc(OC)cc1 PI-31711 [0,2,0,0,0,0|0,0,0]=2 739 B11R1.192 C1=C(C=CC(=C1Cl)Cl)CC#N PI-11885 [0,2,0,0,0,0|0,0,2]=4 740 B11R1.192 C1=CC(=C(C=C1CC#N)Cl)F PI-44993 [0,2,0,0,0,0|0,0,2]=4 741 B11R1.192 C1=CC(=C(C=C1CC#N)F)F PI-28733 [0,2,0,0,0,0|0,0,2]=4 742 B11R1.192 C1=CC(=C(C=C1CCO)O)O PI-27061 [0,2,0,0,0,0|1,0,0]=3 743 B11R1.192 C=CCC1=CC(=C(C=C1)O)O PI-41465 [0,2,0,0,0,0|1,0,1]=4 744 B11R1.192 C=CCc1ccc(F)c(C)c1 PI-23775 [0,2,0,0,0,0|1,0,1]=4 745 B11R1.192 CCOC1=CC(=C(C=C1)N)N PI-13551 [0,2,0,0,0,0|2,0,0]=4 746 B11R1.192 N#CCc1ccc(C)c(F)c1 PI-23763 [0,2,0,0,0,0|0,0,2]=4 747 B11R1.192 NCCc1ccc(c(c1)C)C PI-23900 [0,2,0,0,0,0|0,0,0]=2 748 B11R1.13 C1=CC(=C(C(=C1)Cl)Cl)CC#N PI-16138 [0,2,0,0,0,0|0,0,2]=4 749 B11R1.13 C1=CC(=C(C(=C1)F)F)CC#N PI-33129 [0,2,0,0,0,0|0,0,2]=4 750 B11R1.13 CCOC1=C(C(=CC=C1)F)F PI-21166 [0,2,0,0,0,0|2,0,0]=4 751 B11R1.17 C1=CC=C(C(=C1)C#CCO)Br PI-14510 [0,2,0,0,0,0|1,0,1]=4 752 B11R1.17 C1=CC=C(C(=C1)C#CCO)Cl PI-20216 [0,2,0,0,0,0|1,0,1]=4 753 B11R1.17 C1=CC=C(C(=C1)CN=C=O)F PI-26108 [0,2,0,0,0,0|1,0,1]=4 754 B11R1.17 C1=CC=C(C(=C1)CN=C=S)Cl PI-23616 [0,2,0,0,0,0|1,0,1]=4 755 B11R1.17 C1=CC=C(C(=C1)CN=C=S)F PI-23491 [0,2,0,0,0,0|1,0,1]=4 756 B11R1.17 CC1=CC=CC=C1CN=C=O PI-11437 [0,2,0,0,0,0|1,0,1]=4 757 B11R1.17 OCCSc1ccccc1Br PI-22561 [0,2,0,0,0,0|1,0,0]=3 758 B11R1.17 [C-]#[N+]CCc1ccccc1F PI-23812 [0,2,0,0,0,0|0,0,1]=3 759 B11R1.41 C1=CC=C(C(=C1)CCBr)C=O PI-32624 [0,2,0,0,0,0|1,0,0]=3 760 B11R1.41 CCOc1ccccc1C#N PI-16029 [0,2,0,0,0,0|2,0,0]=4 761 B11R1.41 COC1=CC=CC=C1CCN PI-31713 [0,2,0,0,0,0|0,0,0]=2 762 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)Br PI-14498 [0,2,0,0,0,0|1,0,1]=4 763 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)O PI-10304 [0,2,0,0,0,0|1,0,1]=4 764 B11R1.86 CC(=O)Cc1ccccc1F PI-38595 [0,2,0,0,0,0|1,0,1]=4 765 B11R1.86 CC1=CC=CC=C1N=C(N)N PI-47265 [0,2,0,0,0,0|1,0,1]=4 766 B11R1.86 CC1=CC=CC=C1NC(=S)N PI-24519 [0,2,0,0,0,0|1,0,1]=4 767 B11R1.86 ClC(=O)Cc1ccccc1C PI-24889 [0,2,0,0,0,0|1,0,1]=4 768 B11R1.86 FC(F)Oc1ccccc1N PI-21174 [0,2,0,0,0,0|2,0,0]=4 769 B11R1.86 FC(Oc1ccccc1Br)F PI-21192 [0,2,0,0,0,0|2,0,0]=4 770 B11R1.86 NC(=S)Nc1ccccc1Br PI-22565 [0,2,0,0,0,0|1,0,1]=4 771 B11R1.86 NC(=S)Nc1ccccc1F PI-29832 [0,2,0,0,0,0|1,0,1]=4 772 B11R1.86 NC1=CC=CC=C1SC(C)C PI-40822 [0,2,0,0,0,0|2,0,0]=4 773 B11R1.86 OC(=O)Cc1ccccc1C PI-30825 [0,2,0,0,0,0|1,0,1]=4 774 B11R1.86 OC(=O)Cc1ccccc1Cl PI-11828 [0,2,0,0,0,0|1,0,1]=4 775 B11R1.86 OC(=O)Cc1ccccc1F PI-16981 [0,2,0,0,0,0|1,0,1]=4 776 B11R1.86 OC(=O)Cc1ccccc1I PI-12208 [0,2,0,0,0,0|1,0,1]=4 777 B11R1.182 C1=CC(=C(C=C1Cl)CC#N)Cl PI-35239 [0,2,0,0,0,0|0,0,2]=4 778 B11R1.182 CC1=CC(=C(C=C1)C)CCN PI-23899 [0,2,0,0,0,0|0,0,0]=2 779 B11R1.182 CCOC1=C(C=CC(=C1)N)Br PI-16386 [0,2,0,0,0,0|2,0,0]=4 780 B11R1.182 Cc1ccc(F)cc1CC#N PI-23764 [0,2,0,0,0,0|0,0,2]=4 781 B11R1.182 Cc1ccc(O)cc1NCC PI-11924 [0,2,0,0,0,0|2,0,0]=4 782 B11R1.182 FC1=C(CC#N)C=C(Cl)C=C1 PI-40312 [0,2,0,0,0,0|0,0,2]=4 783 B11R1.182 Fc1ccc(cc1CC#N)F PI-28764 [0,2,0,0,0,0|0,0,2]=4 784 B11R1.222 BrCC(=O)c1ccccc1Br PI-31567 [0,2,0,0,0,0|1,0,1]=4 785 B11R1.222 BrCC(=O)c1ccccc1Cl PI-20199 [0,2,0,0,0,0|1,0,1]=4 786 B11R1.222 BrCC(=O)c1ccccc1F PI-17348 [0,2,0,0,0,0|1,0,1]=4 787 B11R1.222 BrCC(=O)c1ccccc1O PI-31566 [0,2,0,0,0,0|1,0,1]=4 788 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)Br PI-50495 [0,2,0,0,0,0|1,0,1]=4 789 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)F PI-23454 [0,2,0,0,0,0|1,0,1]=4 790 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)N PI-30252 [0,2,0,0,0,0|1,0,1]=4 791 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)O PI-29980 [0,2,0,0,0,0|1,0,1]=4 792 B11R1.222 CC1=CC=CC=C1C(=O)CBr PI-31565 [0,2,0,0,0,0|1,0,1]=4 793 B11R1.222 CC1=CC=CC=C1C(=O)NN PI-24611 [0,2,0,0,0,0|1,0,1]=4 794 B11R1.222 CCC(=O)C1=CC=CC=C1F PI-16905 [0,2,0,0,0,0|1,0,1]=4 795 B11R1.222 CCC(=O)c1ccccc1O PI-15452 [0,2,0,0,0,0|1,0,1]=4 796 B11R1.605 C1=C(C(=C(C=C1)Cl)CC#N)F PI-28801 [0,2,0,0,0,0|0,0,2]=4 797 B11R1.605 C1=CC(=C(C(=C1)Cl)CC#N)Cl PI-11764 [0,2,0,0,0,0|0,0,2]=4 798 B11R1.605 C1=CC(=C(C(=C1)Cl)CCO)Cl PI-35238 [0,2,0,0,0,0|1,0,0]=3 799 B11R1.605 CCCc1c(O)cccc1O PI-19109 [0,2,0,0,0,0|1,0,0]=3 800 B11R1.605 N#CCc1c(F)cccc1F PI-28726 [0,2,0,0,0,0|0,0,2]=4 801 B11R1.605 NCCc1c(F)cccc1Cl PI-17329 [0,2,0,0,0,0|0,0,0]=2 802 B11R1.23 BrCC(=O)c1cccc(Br)c1 PI-22228 [0,2,0,0,0,0|1,0,1]=4 803 B11R1.23 C1=CC(=CC(=C1)Br)C(=O)NN PI-20531 [0,2,0,0,0,0|1,0,1]=4 804 B11R1.23 C1=CC(=CC(=C1)Br)C(CN)O PI-36568 [0,2,0,0,0,0|0,0,0]=2 805 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)CBr PI-20200 [0,2,0,0,0,0|1,0,1]=4 806 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)CCl PI-32569 [0,2,0,0,0,0|1,0,1]=4 807 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)NN PI-23137 [0,2,0,0,0,0|1,0,1]=4 808 B11R1.23 C1=CC(=CC(=C1)F)C(=O)CBr PI-31564 [0,2,0,0,0,0|1,0,1]=4 809 B11R1.23 C1=CC(=CC(=C1)F)C(=O)NN PI-23455 [0,2,0,0,0,0|1,0,1]=4 810 B11R1.23 C1=CC(=CC(=C1)I)C(=O)NN PI-50336 [0,2,0,0,0,0|1,0,1]=4 811 B11R1.23 C1=CC(=CC(=C1)N)C(=O)NN PI-30136 [0,2,0,0,0,0|1,0,1]=4 812 B11R1.23 C1=CC(=CC(=C1)O)C(CN)O PI-41192 [0,2,0,0,0,0|0,0,0]=2 813 B11R1.23 CC1=CC(=CC=C1)C(=O)NN PI-24087 [0,2,0,0,0,0|1,0,1]=4 814 B11R1.23 CCC(=O)C1=CC(=CC=C1)F PI-28550 [0,2,0,0,0,0|1,0,1]=4 815 B11R1.23 CCC(=O)C1=CC(=CC=C1)O PI-17471 [0,2,0,0,0,0|1,0,1]=4 816 B11R1.23 CCC(=O)c1cccc(c1)Cl PI-13415 [0,2,0,0,0,0|1,0,1]=4 817 B11R1.23 CCN(C1=CC=CC(=C1)C)N PI-30000 [0,2,0,0,0,0|2,0,0]=4 818 B11R1.23 FC1=CC([C@H](N)CO)=CC=C1 PI-46646 [0,2,0,0,0,0|1,0,0]=3 819 B11R1.24 C1=CC(=CC(=C1)Br)C#CCO PI-14511 [0,2,0,0,0,0|1,0,1]=4 820 B11R1.24 C1=CC(=CC(=C1)Cl)C#CCO PI-20217 [0,2,0,0,0,0|1,0,1]=4 821 B11R1.24 C1=CC(=CC(=C1)Cl)CN=C=S PI-23617 [0,2,0,0,0,0|1,0,1]=4 822 B11R1.24 C1=CC(=CC(=C1)F)CN=C=S PI-23492 [0,2,0,0,0,0|1,0,1]=4 823 B11R1.24 CC1=CC(=CC=C1)CN=C=O PI-11438 [0,2,0,0,0,0|1,0,1]=4 824 B11R1.24 COCOC1=CC(=CC=C1)Br PI-43270 [0,2,0,0,0,0|2,0,0]=4 825 B11R1.24 N#CCCc1cccc(c1)Br PI-22540 [0,2,0,0,0,0|0,0,1]=3 826 B11R1.24 O=C=NCc1cccc(c1)F PI-26032 [0,2,0,0,0,0|1,0,1]=4 827 B11R1.24 OCCSc1cccc(C)c1 PI-24821 [0,2,0,0,0,0|1,0,0]=3 828 B11R1.34 C1=C(C=C(C=C1F)F)CC#N PI-13396 [0,2,0,0,0,0|0,0,2]=4 829 B11R1.157 C1=CC(=CC(=C1)Br)CC(=O)O PI-22281 [0,2,0,0,0,0|1,0,1]=4 830 B11R1.157 C1=CC(=CC(=C1)Cl)CC(=O)O PI-16021 [0,2,0,0,0,0|1,0,1]=4 831 B11R1.157 C1=CC(=CC(=C1)Cl)N=C(N)N PI-47259 [0,2,0,0,0,0|1,0,1]=4 832 B11R1.157 C1=CC(=CC(=C1)I)CC(=O)O PI-30249 [0,2,0,0,0,0|1,0,1]=4 833 B11R1.157 C1=CC(=CC(=C1)OC(F)F)N PI-21175 [0,2,0,0,0,0|2,0,0]=4 834 B11R1.157 CC(=O)Cc1cccc(c1)Br PI-38558 [0,2,0,0,0,0|1,0,1]=4 835 B11R1.157 CC(C)OC1=CC(=CC=C1)Br PI-31927 [0,2,0,0,0,0|2,0,0]=4 836 B11R1.157 CC(C)OC1=CC=CC(=C1)N PI-33132 [0,2,0,0,0,0|2,0,0]=4 837 B11R1.157 CC1=CC(=CC=C1)NC(=S)N PI-24525 [0,2,0,0,0,0|1,0,1]=4 838 B11R1.157 CN(C)CC1=CC(=CC=C1)Br PI-47270 [0,2,0,0,0,0|2,0,0]=4 839 B11R1.157 NC(=S)Nc1cccc(c1)Br PI-22566 [0,2,0,0,0,0|1,0,1]=4 840 B11R1.157 NC(=S)Nc1cccc(c1)Cl PI-40813 [0,2,0,0,0,0|1,0,1]=4 841 B11R1.157 OC(=O)Cc1cccc(c1)F PI-16930 [0,2,0,0,0,0|1,0,1]=4 842 B11R1.157 OC(=O)Cc1cccc(c1)N PI-31063 [0,2,0,0,0,0|1,0,1]=4 843 B11R1.157 OC(=O)Cc1cccc(c1)O PI-11931 [0,2,0,0,0,0|1,0,1]=4 844 B11R1.189 CCCC1=CC(=CC=C1)NN PI-29461 [0,2,0,0,0,0|1,0,0]=3 845 B11R1.189 CCOC1=CC=CC(=C1)C=O PI-27357 [0,2,0,0,0,0|2,0,0]=4 846 B11R1.189 N#CCc1cccc(c1)OC PI-11344 [0,2,0,0,0,0|0,0,2]=4 847 B11R1.189 NCCc1cccc(OC)c1 PI-31712 [0,2,0,0,0,0|0,0,0]=2 848 B11R1.7 C#CC(c1ccccc1)(O)C PI-39335 [0,2,0,0,0,0|1,0,1]=4 849 B11R1.7 C1=CC=C(C=C1)C(CBr)(F)F PI-19048 [0,2,0,0,0,0|1,0,0]=3 850 B11R1.7 C1=CC=C(C=C1)S(=O)(=O)CF PI-46454 [0,2,0,0,0,0|2,0,0]=4 851 B11R1.7 CCC(C)(C)C1=CC=CC=C1 PI-12312 [0,2,0,0,0,0|1,0,0]=3 852 B11R1.7 CCS(=O)(=O)C1=CC=CC=C1 PI-29736 [0,2,0,0,0,0|2,0,0]=4 853 B11R1.7 C[Si](C)(CCl)C1=CC=CC=C1 PI-45032 [0,2,0,0,0,0|1,1,0]=4 854 B11R1.12 CCC(C#N)C1=CC=CC=C1 PI-11343 [0,2,0,0,0,0|1,0,0]=3 855 B11R1.12 CCN(CC)C1=CC=CC=C1 PI-49995 [0,2,0,0,0,0|2,0,0]=4 856 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-30207 [0,2,0,0,0,0|1,0,0]=3 857 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-30952 [0,2,0,0,0,0|1,0,0]=3 858 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-45013 [0,2,0,0,0,0|1,0,0]=3 859 B11R1.16 C1=CN=CC=C1[C@H](CCO)O PI-50215 [0,2,0,0,0,0|2,0,0]=4 860 B11R1.16 CCCC(C1=CC=CC=C1)O PI-19327 [0,2,0,0,0,0|1,0,0]=3 861 B11R1.16 CCCC(C1=CC=CC=C1)O PI-19763 [0,2,0,0,0,0|1,0,0]=3 862 B11R1.16 CCOC(=N)C1=CC=CC=C1 PI-46544 [0,2,0,0,0,0|1,0,1]=4 863 B11R1.16 CNOC(=O)C1=CC=CC=C1 PI-46922 [0,2,0,0,0,0|1,0,1]=4 864 B11R1.16 COCC(=O)c1ccccc1 PI-11856 [0,2,0,0,0,0|1,0,1]=4 865 B11R1.16 ClCCC(=O)c1ccccc1 PI-11246 [0,2,0,0,0,0|1,0,0]=3 866 B11R1.16 ClCC[C@@H](c1ccccc1)O PI-12073 [0,2,0,0,0,0|1,0,0]=3 867 B11R1.16 ClCC[C@H](c1ccccc1)O PI-12074 [0,2,0,0,0,0|1,0,0]=3 868 B11R1.16 N#CCC(=O)c1ccccc1 PI-14837 [0,2,0,0,0,0|0,0,2]=4 869 B11R1.16 O=C(OCCl)C1=CC=CC=C1 PI-40036 [0,2,0,0,0,0|1,0,1]=4 870 B11R1.16 OCCN(c1ccccn1)C PI-28090 [0,2,0,0,0,0|2,0,0]=4 871 B11R1.36 C1=CC=C(C=C1)C(=O)C(Cl)Cl PI-25399 [0,2,0,0,0,0|1,0,1]=4 872 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)Br PI-12709 [0,2,0,0,0,0|1,0,1]=4 873 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)N PI-18442 [0,2,0,0,0,0|1,0,1]=4 874 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O PI-33913 [0,2,0,0,0,0|1,0,1]=4 875 B11R1.36 CC(C(=O)C1=CC=CC=C1)Cl PI-12863 [0,2,0,0,0,0|1,0,1]=4 876 B11R1.36 CC(C(=O)O)c1ccccc1 PI-11879 [0,2,0,0,0,0|1,0,1]=4 877 B11R1.36 CC(C1=CC=CC=C1)C(=O)O PI-10358 [0,2,0,0,0,0|1,0,1]=4 878 B11R1.36 C[C@@H](c1ccccc1)C(=O)O PI-10357 [0,2,0,0,0,0|1,0,1]=4 879 B11R1.36 FC(C(=O)O)c1ccccc1 PI-30175 [0,2,0,0,0,0|1,0,1]=4 880 B11R1.36 N[C@@H](c1ccccc1)C(=O)N PI-37984 [0,2,0,0,0,0|0,0,1]=3 881 B11R1.36 O[C@@H](C(=O)O)c1ccccc1 PI-10352 [0,2,0,0,0,0|1,0,1]=4 882 B11R1.36 O[C@@H](c1ccccc1)C(=O)O PI-10351 [0,2,0,0,0,0|1,0,1]=4 883 B11R1.28 C1=CC=C(C=C1)CCCCBr PI-13248 [0,2,0,0,0,0|1,0,0]=3 884 B11R1.28 C1=CC=C(C=C1)CCCCO PI-12011 [0,2,0,0,0,0|1,0,0]=3 885 B11R1.28 C1=CC=C(C=C1)COCCCl PI-19195 [0,2,0,0,0,0|1,0,0]=3 886 B11R1.28 C1=CC=C(C=C1)NCCCO PI-46938 [0,2,0,0,0,0|1,0,0]=3 887 B11R1.28 C1=CC=C(C=C1)OCCCBr PI-32239 [0,2,0,0,0,0|1,0,0]=3 888 B11R1.28 C1=CC=NC(=C1)CNCCO PI-34035 [0,2,0,0,0,0|2,0,0]=4 889 B11R1.28 C1=CN=CC=C1CCCCCl PI-33973 [0,2,0,0,0,0|2,0,0]=4 890 B11R1.28 CCCCCC1=CC=CC=C1 PI-12353 [0,2,0,0,0,0|1,0,0]=3 891 B11R1.28 CCCCCC1=CC=CC=N1 PI-13331 [0,2,0,0,0,0|2,0,0]=4 892 B11R1.28 CCOCCC1=CC=CC=N1 PI-19391 [0,2,0,0,0,0|2,0,0]=4 893 B11R1.28 NCCOCc1ccccc1 PI-36880 [0,2,0,0,0,0|0,0,0]=2 894 B11R1.28 OCCOCc1ccccc1 PI-24526 [0,2,0,0,0,0|1,0,0]=3 895 B11R1.28 OCCSCc1ccccc1 PI-20759 [0,2,0,0,0,0|1,0,0]=3 896 B11R1.40 C1=CC=C(C=C1)CC(=O)NN PI-30983 [0,2,0,0,0,0|0,0,1]=3 897 B11R1.40 C1=CC=C(C=C1)CC(CN)N PI-19951 [0,2,0,0,0,0|0,0,0]=2 898 B11R1.40 C1=CC=C(C=C1)NC(=S)NN PI-29671 [0,2,0,0,0,0|1,0,1]=4 899 B11R1.40 CCC(=O)CC1=CC=CC=C1 PI-47129 [0,2,0,0,0,0|1,0,0]=3 900 B11R1.40 CNC(=S)Nc1ccccc1 PI-24288 [0,2,0,0,0,0|1,0,1]=4 901 B11R1.40 CNC(=S)Nc1ccccc1 PI-30591 [0,2,0,0,0,0|1,0,1]=4 902 B11R1.40 ClCC(=O)Nc1ccccc1 PI-15656 [0,2,0,0,0,0|1,0,1]=4 903 B11R1.40 OC[C@@H](Cc1ccccc1)N PI-16474 [0,2,0,0,0,0|0,0,0]=2 904 B11R1.40 OC[C@H](Cc1ccccc1)N PI-16635 [0,2,0,0,0,0|0,0,0]=2 905 B11R1.91 C1=CC=C(C=C1)CCC(=O)Cl PI-11944 [0,2,0,0,0,0|1,0,0]=3 906 B11R1.91 C1=CC=C(C=C1)NCC(=O)O PI-14870 [0,2,0,0,0,0|1,0,1]=4 907 B11R1.91 C1=CC=C(C=C1)OCC(=O)O PI-32615 [0,2,0,0,0,0|1,0,1]=4 908 B11R1.91 C1=CC=C(C=C1)OCC(=O)[O-] PI-50538 [0,2,0,0,0,0|1,0,1]=4 909 B11R1.91 CC(C)N=CC1=CC=CC=C1 PI-19838 [0,2,0,0,0,0|1,0,1]=4 910 B11R1.91 CC(CCC1=CC=CC=C1)N PI-33450 [0,2,0,0,0,0|0,0,0]=2 911 B11R1.91 CN(C)N=CC1=CC=CC=C1 PI-26056 [0,2,0,0,0,0|1,0,1]=4 912 B11R1.91 C[C@@H](CCC1=CC=CC=C1)O PI-49833 [0,2,0,0,0,0|1,0,0]=3 913 B11R1.91 C[C@H](CCC1=CC=CC=C1)O PI-49832 [0,2,0,0,0,0|1,0,0]=3 914 B11R1.91 NC(=O)\C=C\c1ccccc1 PI-30792 [0,2,0,0,0,0|0,0,2]=4 915 B11R1.91 NC(=S)NCc1ccccc1 PI-20347 [0,2,0,0,0,0|0,0,1]=3 916 B11R1.91 OB(O)CCc1ccccc1 PI-25460 [0,2,0,0,0,0|1,0,0]=3 917 B11R1.91 [O-]C(=O)CNc1ccccc1 PI-17946 [0,2,0,0,0,0|1,0,1]=4 918 B11R1.91 [O-][N+](=O)CCc1ccccc1 PI-35182 [0,2,0,0,0,0|0,0,1]=3 919 B11R1.509 C1=CC=C(C=C1)OC(F)(F)F PI-12216 [0,2,0,0,0,0|2,0,0]=4 920 B11R1.509 C1=CC=C(C=C1)OP(=O)(N)N PI-30898 [0,2,0,0,0,0|2,0,0]=4 921 B11R1.509 C1=CC=C(C=C1)SC(F)(F)F PI-12221 [0,2,0,0,0,0|2,0,0]=4 922 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 PI-28365 [0,2,0,0,0,0|2,0,0]=4 923 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 PI-20351 [0,2,0,0,0,0|2,0,0]=4 924 B11R1.509 ClS(=O)(=O)Cc1ccccc1 PI-30257 [0,2,0,0,0,0|2,0,0]=4 925 B11R1.509 NS(=O)(=O)Cc1ccccc1 PI-30638 [0,2,0,0,0,0|1,0,0]=3 926 B11R1.509 OP(=O)(Cc1ccccc1)O PI-30850 [0,2,0,0,0,0|2,0,0]=4 927 B9R2.50 C1CC2=CC=CC=C21 PI-40928 [1,0,0,1,0,0|0,0,0]=2 928 B11R2.34 BrC1=CC=C(C=C1)C2CC2 PI-40963 [0,1,0,1,0,0|1,0,0]=3 929 B11R2.34 Clc1ccc(cc1)[C@@H]2OC2 PI-36332 [0,1,0,1,0,0|1,0,0]=3 930 B11R2.36 Brc1ccc2[nH]ccc2c1 PI-20323 [0,1,0,1,0,0|0,0,2]=4 931 B11R2.36 Brc1ccc2c(c1)CCN2 PI-11096 [0,1,0,1,0,0|0,0,0]=2 932 B11R2.36 Brc1ccc2c(c1)[nH]cc2 PI-10006 [0,1,0,1,0,0|0,0,2]=4 933 B11R2.36 Brc1cnc2c(c1)CCC2 PI-39405 [0,1,0,1,0,0|2,0,0]=4 934 B11R2.36 C1=C2C(=CC=C1C)[NH]C=C2 PI-10262 [0,1,0,1,0,0|0,0,2]=4 935 B11R2.36 C1=CC(=CC2=C1C=CN2)F PI-10018 [0,1,0,1,0,0|0,0,2]=4 936 B11R2.36 C1=CC(=CC2=C1C=CN2)N PI-16826 [0,1,0,1,0,0|0,0,2]=4 937 B11R2.36 C1=CC2=C(C=C1Br)C=NN2 PI-34641 [0,1,0,1,0,0|1,0,1]=4 938 B11R2.36 C1=CC2=C(C=C1Br)NC=N2 PI-44962 [0,1,0,1,0,0|1,0,1]=4 939 B11R2.36 C1=CC2=C(C=C1Br)NN=C2 PI-33950 [0,1,0,1,0,0|1,0,1]=4 940 B11R2.36 C1=CC2=C(C=C1Cl)C=NN2 PI-34938 [0,1,0,1,0,0|1,0,1]=4 941 B11R2.36 C1=CC2=C(C=C1Cl)NN=C2 PI-34962 [0,1,0,1,0,0|1,0,1]=4 942 B11R2.36 C1=CC2=C(C=C1F)C=NN2 PI-34939 [0,1,0,1,0,0|1,0,1]=4 943 B11R2.36 C1=CC2=C(C=C1F)NC=N2 PI-45215 [0,1,0,1,0,0|1,0,1]=4 944 B11R2.36 C1=CC2=C(C=C1F)NN=C2 PI-34959 [0,1,0,1,0,0|1,0,1]=4 945 B11R2.36 C1=CC2=C(C=C1N)C=NN2 PI-17683 [0,1,0,1,0,0|1,0,1]=4 946 B11R2.36 C1=CC2=C(C=C1N)NC=N2 PI-34794 [0,1,0,1,0,0|1,0,1]=4 947 B11R2.36 C1=CC2=C(C=C1N)NC=N2 PI-45761 [0,1,0,1,0,0|1,0,1]=4 948 B11R2.36 C1=CC2=C(C=C1O)C=NN2 PI-44936 [0,1,0,1,0,0|1,0,1]=4 949 B11R2.36 C1=CC2=C(C=C1O)NN=C2 PI-45210 [0,1,0,1,0,0|1,0,1]=4 950 B11R2.36 C1=CC2=C(C=CN2)C=C1F PI-10017 [0,1,0,1,0,0|0,0,2]=4 951 B11R2.36 C1CC2=C(C1)C=C(C=C2)N PI-17685 [0,1,0,1,0,0|1,0,0]=3 952 B11R2.36 C1CNC2=C1C=C(C=C2)Cl PI-11098 [0,1,0,1,0,0|0,0,0]=2 953 B11R2.36 C1CNC2=C1C=C(C=C2)O PI-36194 [0,1,0,1,0,0|0,0,0]=2 954 B11R2.36 C1CNC2=C1C=CC(=C2)Br PI-36067 [0,1,0,1,0,0|0,0,0]=2 955 B11R2.36 C1COC2=C1C=C(C=C2)Br PI-21650 [0,1,0,1,0,0|1,0,0]=3 956 B11R2.36 C1OC2=C(O1)C=C(C=C2)Cl PI-30880 [0,1,0,1,0,0|2,0,0]=4 957 B11R2.36 C1OC2=C(O1)C=C(C=C2)N PI-12185 [0,1,0,1,0,0|2,0,0]=4 958 B11R2.36 CC1=CC2=C(C=C1)N=CN2 PI-29770 [0,1,0,1,0,0|1,0,1]=4 959 B11R2.36 CC1=CC=C2[NH]N=CC2=C1 PI-41809 [0,1,0,1,0,0|1,0,1]=4 960 B11R2.36 Cc1ccc2c(c1)[nH]cc2 PI-16265 [0,1,0,1,0,0|0,0,2]=4 961 B11R2.36 ClC1=CC2=C(C=C1)C=CN2 PI-20431 [0,1,0,1,0,0|0,0,2]=4 962 B11R2.36 Clc1ccc2CCNc2c1 PI-36115 [0,1,0,1,0,0|0,0,0]=2 963 B11R2.36 Clc1ccc2c(c1)cc[nH]2 PI-10008 [0,1,0,1,0,0|0,0,2]=4 964 B11R2.36 IC1=CC=C2[NH]N=CC2=C1 PI-34940 [0,1,0,1,0,0|1,0,1]=4 965 B11R2.36 Ic1ccc2[nH]ccc2c1 PI-29169 [0,1,0,1,0,0|0,0,2]=4 966 B11R2.36 Ic1ccc2c(c1)[nH]nc2 PI-34958 [0,1,0,1,0,0|1,0,1]=4 967 B11R2.36 Nc1ccc2c(c1)[nH]nc2 PI-34961 [0,1,0,1,0,0|1,0,1]=4 968 B11R2.36 Nc1ccc2c(c1)cc[nH]2 PI-16447 [0,1,0,1,0,0|0,0,2]=4 969 B11R2.36 Oc1ccc2[nH]ccc2c1 PI-10314 [0,1,0,1,0,0|0,0,2]=4 970 B11R2.36 Oc1ccc2c(c1)OCO2 PI-15354 [0,1,0,1,0,0|2,0,0]=4 971 B11R2.36 Oc1ccc2cc[nH]c2c1 PI-16028 [0,1,0,1,0,0|0,0,2]=4 972 B11R2.36 Oc1ccc2nc[nH]c2c1 PI-36411 [0,1,0,1,0,0|1,0,1]=4 973 B11R2.36 SC1=CC=C2OCOC2=C1 PI-42647 [0,1,0,1,0,0|2,0,0]=4 974 B11R2.10 C1=CC2=NN(N=C2C=C1)N PI-17282 [0,1,0,1,0,0|2,0,0]=4 975 B11R2.10 C1=CC=C2C(=C1)N=C(S2)N PI-45314 [0,1,0,1,0,0|1,0,1]=4 976 B11R2.10 C1=CC=C2C(=C1)NC(=S)N2 PI-13021 [0,1,0,1,0,0|1,0,1]=4 977 B11R2.10 C1=CC=C2C(=C1)NC(=S)O2 PI-32430 [0,1,0,1,0,0|1,0,1]=4 978 B11R2.10 C1C(=O)CC2=CC=CC=C21 PI-11611 [0,1,0,1,0,0|1,0,1]=4 979 B11R2.10 C1C(CC2=CC=CC=C21)O PI-11612 [0,1,0,1,0,0|1,0,0]=3 980 B11R2.10 C1C2=CC=CC=C2C=C1Br PI-24035 [0,1,0,1,0,0|1,0,1]=4 981 B11R2.10 CC1=CC2=CC=CC=C2C1 PI-30321 [0,1,0,1,0,0|1,0,1]=4 982 B11R2.10 CC1=CC2=CC=CC=C2N1 PI-31662 [0,1,0,1,0,0|0,0,2]=4 983 B11R2.10 CC1=NC2=CC=CC=C2N1 PI-11865 [0,1,0,1,0,0|1,0,1]=4 984 B11R2.10 CC1CC2=CC=CC=C2O1 PI-17206 [0,1,0,1,0,0|1,0,0]=3 985 B11R2.10 CC1NC2=C(C=CC=C2)C1 PI-11338 [0,1,0,1,0,0|0,0,0]=2 986 B11R2.10 Clc1nc2c([nH]1)cccc2 PI-31005 [0,1,0,1,0,0|1,0,1]=4 987 B11R2.10 NC1CC2=C(C=CC=C2)C1 PI-37165 [0,1,0,1,0,0|0,0,0]=2 988 B11R2.10 Nc1nc2c(s1)cccc2 PI-31667 [0,1,0,1,0,0|1,0,1]=4 989 B11R2.10 Nc1nc2ccccc2[nH]1 PI-31350 [0,1,0,1,0,0|1,0,1]=4 990 B11R2.10 Nc1nc2ccccc2o1 PI-17283 [0,1,0,1,0,0|1,0,1]=4 991 B11R2.10 O=C1Cc2c(N1)cccc2 PI-11084 [0,1,0,1,0,0|0,0,1]=3 992 B11R2.10 O=C1Cc2ccccc2O1 PI-18682 [0,1,0,1,0,0|1,0,1]=4 993 B11R2.10 O=c1oc2ccccc2[nH]1 PI-11480 [0,1,0,1,0,0|1,0,1]=4 994 B11R2.10 O=c1sc2ccccc2[nH]1 PI-12052 [0,1,0,1,0,0|1,0,1]=4 995 B11R2.10 Oc1nc2ccccc2[nH]1 PI-16421 [0,1,0,1,0,0|1,0,1]=4 996 B11R2.20 C1=Cc2c(CC1)cccc2 PI-25582 [0,1,0,1,0,0|1,0,0]=3 997 B11R2.20 C1CC2=C(C=CC=N2)NC1 PI-47349 [0,1,0,1,0,0|1,0,0]=3 998 B11R2.20 C1CC2=C(C=CN=C2)NC1 PI-47348 [0,1,0,1,0,0|1,0,0]=3 999 B11R2.20 C1CCc2c(C1)cncc2 PI-38323 [0,1,0,1,0,0|2,0,0]=4 1000 B11R2.20 C1CCc2ccccc2N1 PI-32264 [0,1,0,1,0,0|0,0,0]=2 1001 B11R2.20 C1CCc2cccnc2C1 PI-10313 [0,1,0,1,0,0|2,0,0]=4 1002 B11R2.20 C1CN=CC2=CC=CC=C21 PI-17411 [0,1,0,1,0,0|0,0,1]=3 1003 B11R2.20 C1CNCC2=CC=CC=C21 PI-17083 [0,1,0,1,0,0|0,0,0]=2 1004 B11R2.20 C1CNCC2=CC=CC=C21 PI-38027 [0,1,0,1,0,0|0,0,0]=2 1005 B11R2.20 C1COC2=C(N1)N=CC=C2 PI-34187 [0,1,0,1,0,0|1,0,0]=3 1006 B11R2.20 C1COc2ccccc2O1 PI-31359 [0,1,0,1,0,0|1,0,0]=3 1007 B11R2.106 BrC1=CC=CC2=C1CC=C2 PI-40279 [0,1,0,1,0,0|1,0,1]=4 1008 B11R2.106 Brc1cccc2CCNc12 PI-35985 [0,1,0,1,0,0|0,0,0]=2 1009 B11R2.106 Brc1cccc2[nH]ccc12 PI-10309 [0,1,0,1,0,0|0,0,2]=4 1010 B11R2.106 Brc1cccc2[nH]ncc12 PI-34921 [0,1,0,1,0,0|1,0,1]=4 1011 B11R2.106 C1=CC(=C2C=CNC2=C1)N PI-16825 [0,1,0,1,0,0|0,0,2]=4 1012 B11R2.106 C1=CC2=C(C(=C1)Br)NC=C2 PI-10577 [0,1,0,1,0,0|0,0,2]=4 1013 B11R2.106 C1=CC2=C(C(=C1)Br)NN=C2 PI-34894 [0,1,0,1,0,0|1,0,1]=4 1014 B11R2.106 C1=CC2=C(C(=C1)Cl)NC=C2 PI-16827 [0,1,0,1,0,0|0,0,2]=4 1015 B11R2.106 C1=CC2=C(C(=C1)Cl)NN=C2 PI-34897 [0,1,0,1,0,0|1,0,1]=4 1016 B11R2.106 C1=CC2=C(C(=C1)N)C=N[NH]2 PI-34925 [0,1,0,1,0,0|1,0,1]=4 1017 B11R2.106 C1=CC2=C(C(=C1)O)NC=C2 PI-11104 [0,1,0,1,0,0|0,0,2]=4 1018 B11R2.106 C1=CC2=C(C(=C1)O)NN=C2 PI-34910 [0,1,0,1,0,0|1,0,1]=4 1019 B11R2.106 C1=CC2=C(C=CN2)C(=C1)Cl PI-16268 [0,1,0,1,0,0|0,0,2]=4 1020 B11R2.106 C1=CC2=C(C=CN2)C(=C1)F PI-16506 [0,1,0,1,0,0|0,0,2]=4 1021 B11R2.106 C1=CC2=C(C=NN2)C(=C1)Cl PI-34922 [0,1,0,1,0,0|1,0,1]=4 1022 B11R2.106 C1=CC2=C(C=NN2)C(=C1)F PI-34923 [0,1,0,1,0,0|1,0,1]=4 1023 B11R2.106 C1=CC2=C(C=NN2)C(=C1)I PI-34924 [0,1,0,1,0,0|1,0,1]=4 1024 B11R2.106 C1=CC2=C(C=NN2)C(=C1)O PI-40522 [0,1,0,1,0,0|1,0,1]=4 1025 B11R2.106 C1C2=C(CS1)C(=CC=C2)Br PI-48436 [0,1,0,1,0,0|2,0,0]=4 1026 B11R2.106 C1CNC2=C1C(=CC=C2)Br PI-36066 [0,1,0,1,0,0|0,0,0]=2 1027 B11R2.106 C1CNC2=C1C(=CC=C2)Cl PI-11092 [0,1,0,1,0,0|0,0,0]=2 1028 B11R2.106 CC1=C2C=CNC2=CC=C1 PI-16828 [0,1,0,1,0,0|0,0,2]=4 1029 B11R2.106 CC1=C2CNCC2=CC=C1 PI-36193 [0,1,0,1,0,0|2,0,0]=4 1030 B11R2.106 Cc1cccc2c1NCC2 PI-38356 [0,1,0,1,0,0|0,0,0]=2 1031 B11R2.106 Cc1cccc2c1[nH]cc2 PI-16266 [0,1,0,1,0,0|0,0,2]=4 1032 B11R2.106 Cc1cccc2c1[nH]cn2 PI-38923 [0,1,0,1,0,0|1,0,1]=4 1033 B11R2.106 Fc1cccc2c1[nH]cc2 PI-16457 [0,1,0,1,0,0|0,0,2]=4 1034 B11R2.106 Ic1cccc2[nH]cnc12 PI-36396 [0,1,0,1,0,0|1,0,1]=4 1035 B11R2.106 OC1=C2N=NNC2=CC=C1 PI-20735 [0,1,0,1,0,0|2,0,0]=4 1036 B11R2.106 Oc1cccc2[nH]ccc12 PI-16269 [0,1,0,1,0,0|0,0,2]=4 1037 B11R2.988 OCC1C2=CC=CC=C2C1 PI-40936 [0,1,0,1,0,0|1,0,0]=3 1038 B11R2.35 C1C(O1)C2=CC(=CC=C2)Cl PI-35811 [0,1,0,1,0,0|1,0,0]=3 1039 B11R2.35 Clc1cccc(c1)[C@@H]2CO2 PI-10846 [0,1,0,1,0,0|1,0,0]=3 1040 B11R2.1 B1(C2=CC=CC=C2CO1)O PI-25687 [0,1,0,1,0,0|2,0,0]=4 1041 B11R2.1 C1=CC=C2C(=C1)C(=CN2)Br PI-34828 [0,1,0,1,0,0|0,0,2]=4 1042 B11R2.1 C1=CC=C2C(=C1)C(=NO2)N PI-14154 [0,1,0,1,0,0|1,0,1]=4 1043 B11R2.1 C1=CC=C2C(=C1)C=NN2N PI-44096 [0,1,0,1,0,0|1,0,1]=4 1044 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-27871 [0,1,0,1,0,0|1,0,1]=4 1045 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-33947 [0,1,0,1,0,0|1,0,1]=4 1046 B11R2.1 C1CC(=O)C2=CC=CC=C21 PI-12356 [0,1,0,1,0,0|1,0,0]=3 1047 B11R2.1 C1CC2=CC=CC=C2C1N PI-41308 [0,1,0,1,0,0|0,0,0]=2 1048 B11R2.1 CN1C2=CC=CC=C2N=N1 PI-17166 [0,1,0,1,0,0|2,0,0]=4 1049 B11R2.1 CN1C=NC2=CC=CC=C21 PI-11703 [0,1,0,1,0,0|1,0,1]=4 1050 B11R2.1 Cc1c[nH]c2c1cccc2 PI-10761 [0,1,0,1,0,0|0,0,2]=4 1051 B11R2.1 Cn1ccc2ccccc12 PI-11080 [0,1,0,1,0,0|0,0,2]=4 1052 B11R2.1 NC1CCC2=C1C=CC=C2 PI-40451 [0,1,0,1,0,0|0,0,0]=2 1053 B11R2.1 NC1CCc2ccccc12 PI-24340 [0,1,0,1,0,0|0,0,0]=2 1054 B11R2.1 N[C@@H]1CCc2ccccc12 PI-17002 [0,1,0,1,0,0|0,0,0]=2 1055 B11R2.1 O=C1C2=CC=CC=C2SC1 PI-42644 [0,1,0,1,0,0|1,0,1]=4 1056 B11R2.1 O=C1OCc2c1cccc2 PI-33738 [0,1,0,1,0,0|1,0,1]=4 1057 B11R2.1 On1nnc2ccccc12 PI-15275 [0,1,0,1,0,0|2,0,0]=4 1058 B11R2.1 On1nnc2ccccc12 PI-15359 [0,1,0,1,0,0|2,0,0]=4 1059 B11R2.4 N[C@H]1C[C@@H]1c2ccccc2 PI-25120 [0,1,0,1,0,0|0,0,0]=2 1060 B11R2.40 CC1(CO1)C2=CC=CC=C2 PI-47223 [0,1,0,1,0,0|1,0,0]=3 1061 B11R2.239 C1C(CO1)C2=CC=CC=C2 PI-36427 [0,1,0,1,0,0|1,0,0]=3 1062 B11R2.238 C1CC1Sc2ccccc2 PI-25166 [0,1,0,1,0,0|1,0,0]=3 1063 B7R1.1 BrCc1cscc1 PI-14311 [1,0,0,0,1,0|2,0,0]=4 1064 B7R1.1 C1=C(SC=N1)CN PI-45069 [1,0,0,0,1,0|2,0,0]=4 1065 B7R1.1 C1=C(SC=N1)CN PI-45398 [1,0,0,0,1,0|2,0,0]=4 1066 B7R1.1 C1=COC(=C1)CS PI-48474 [1,0,0,0,1,0|2,0,0]=4 1067 B7R1.1 C1=CSC(=C1)CCl PI-50490 [1,0,0,0,1,0|2,0,0]=4 1068 B7R1.1 C1=CSC(=C1)CO PI-11151 [1,0,0,0,1,0|2,0,0]=4 1069 B7R1.1 C1=CSC(=N1)CN PI-45385 [1,0,0,0,1,0|2,0,0]=4 1070 B7R1.1 C1=CSC=C1CN PI-31789 [1,0,0,0,1,0|1,0,0]=3 1071 B7R1.1 CCC1=CC=CS1 PI-10993 [1,0,0,0,1,0|1,0,0]=3 1072 B7R1.1 CCC1=CSC=C1 PI-35073 [1,0,0,0,1,0|1,0,0]=3 1073 B7R1.1 CCN1C=CC=C1 PI-12065 [1,0,0,0,1,0|1,0,0]=3 1074 B7R1.1 CCc1ncc[nH]1 PI-31817 [1,0,0,0,1,0|2,0,0]=4 1075 B7R1.1 CCn1cccn1 PI-35920 [1,0,0,0,1,0|2,0,0]=4 1076 B7R1.1 COc1cccs1 PI-33573 [1,0,0,0,1,0|2,0,0]=4 1077 B7R1.1 COc1cscc1 PI-27269 [1,0,0,0,1,0|2,0,0]=4 1078 B7R1.1 CSC1=CSC=C1 PI-29322 [1,0,0,0,1,0|2,0,0]=4 1079 B7R1.1 NCc1cccs1 PI-11152 [1,0,0,0,1,0|1,0,0]=3 1080 B7R1.1 OCc1cscc1 PI-29874 [1,0,0,0,1,0|2,0,0]=4