0 B11R1.17 C1=CC=C(C(=C1)CN=C=O)F PI-26108 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.17 C1=CC=C(C(=C1)CN=C=S)Cl PI-23616 [0,0,0,0,0,0|3,1,0]=4 2 B11R1.17 C1=CC=C(C(=C1)CN=C=S)F PI-23491 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.17 C1=CC=C(C(=C1)\C=C\C=O)F PI-46537 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.17 CC1=CC=CC=C1CN=C=O PI-11437 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.17 OCCSc1ccccc1Br PI-22561 [0,0,0,0,0,0|3,1,0]=4 6 B11R1.17 [C-]#[N+]CCc1ccccc1F PI-23812 [0,0,0,0,0,0|0,0,2]=2 7 B10R1.4 BrCCc1ccccc1C PI-21423 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.4 BrCCc1ccccc1Cl PI-21413 [1,0,0,0,0,0|1,1,0]=3 9 B10R1.4 BrCCc1ccccc1F PI-34239 [1,0,0,0,0,0|1,0,0]=2 10 B10R1.4 C1=CC=C(C(=C1)C=NN)O PI-27488 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.4 C1=CC=C(C(=C1)CC#N)Br PI-22282 [1,0,0,0,0,0|0,1,2]=4 12 B10R1.4 C1=CC=C(C(=C1)CC#N)F PI-16866 [1,0,0,0,0,0|0,0,2]=3 13 B10R1.4 C1=CC=C(C(=C1)CCO)F PI-23810 [1,0,0,0,0,0|1,0,0]=2 14 B10R1.4 C1=CC=C(C(=C1)CNN)F PI-50605 [1,0,0,0,0,0|1,0,0]=2 15 B10R1.4 C1=CC=C(C(=C1)N=C=S)F PI-19528 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.4 C=CCC1=CC=CC=C1O PI-46039 [1,0,0,0,0,0|1,0,2]=4 17 B10R1.4 CCNC1=CC=CC=C1F PI-22091 [1,0,0,0,0,0|1,0,0]=2 18 B10R1.4 CCOC1=CC=CC=C1F PI-23815 [1,0,0,0,0,0|1,0,0]=2 19 B10R1.4 CCOC1=CC=CC=C1N PI-30971 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.4 CCOc1ccncc1N PI-33891 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.4 N#CCc1ccccc1Cl PI-11829 [1,0,0,0,0,0|0,1,2]=4 22 B10R1.4 N#CCc1ccccc1N PI-16130 [1,0,0,0,0,0|1,0,2]=4 23 B10R1.4 NCCc1ccccc1Br PI-39292 [1,0,0,0,0,0|0,1,0]=2 24 B10R1.4 NCCc1ccccc1Cl PI-20209 [1,0,0,0,0,0|0,1,0]=2 25 B10R1.4 NCCc1ccccc1F PI-38584 [1,0,0,0,0,0|0,0,0]=1 26 B10R1.4 NOCc1ccccc1Cl PI-39246 [1,0,0,0,0,0|1,1,0]=3 27 B10R1.4 O=C=Nc1ccccc1F PI-26192 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.4 [C-]#[N+]Cc1ccccc1Cl PI-23174 [1,0,0,0,0,0|0,1,2]=4 29 B10R1.17 C1=CC(=CN=C1)CCCO PI-33814 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.17 C1=CC=C(C=C1)CN=C=S PI-28698 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.17 C1=CC=C(C=C1)COCCl PI-28438 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.17 C1=CC=C(C=C1)OCCBr PI-31495 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.17 C1=CC=C(C=C1)OCCCl PI-12172 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.17 C1=CC=C(C=C1)OCCN PI-12173 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.17 C=CCOc1ccccc1 PI-36466 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.17 CCCCC1=CC=CC=N1 PI-13327 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13343 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13349 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45700 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45703 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.17 CCCSC1=CC=CC=C1 PI-19961 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.17 CNCCC1=CC=CC=N1 PI-13780 [1,0,0,0,0,0|1,0,0]=2 43 B10R1.17 CNCCC1=CC=CC=N1 PI-13781 [1,0,0,0,0,0|1,0,0]=2 44 B10R1.17 CNCCc1ccncc1 PI-12002 [1,0,0,0,0,0|1,0,0]=2 45 B10R1.17 ClCCCc1ccccc1 PI-33374 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.17 ClCSCc1ccccc1 PI-19537 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.17 N#CSCc1ccccc1 PI-32979 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.17 NCCCc1ccccc1 PI-11351 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.17 OCCCc1ccccn1 PI-33813 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.17 OCCCc1ccncc1 PI-31736 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.17 [NH-]=[N+]=NCc1ccccc1 PI-14174 [1,0,0,0,0,0|2,0,1]=4 52 B12R1.69 C1=CC(=C(C=C1F)F)SCC#N PI-21232 [0,1,0,0,0,0|3,0,0]=4 53 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Cl PI-16404 [0,1,0,0,0,0|2,1,0]=4 54 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)F PI-16997 [0,1,0,0,0,0|2,0,0]=3 55 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)O PI-20847 [0,1,0,0,0,0|3,0,0]=4 56 B12R1.125 CC1=CC=CC=C1CCC(=O)O PI-24240 [0,1,0,0,0,0|3,0,0]=4 57 B12R1.125 OC(=O)CCc1ccccc1Br PI-22537 [0,1,0,0,0,0|2,1,0]=4 58 B12R1.308 C1=CC=C(C(=C1)C(=O)CC#N)F PI-34244 [0,1,0,0,0,0|2,0,1]=4 59 B12R1.308 CCCC(=O)C1=CC=CC=C1O PI-15453 [0,1,0,0,0,0|2,0,1]=4 60 B12R1.308 CCOC(=O)C1=CC=CC=C1F PI-34135 [0,1,0,0,0,0|2,0,1]=4 61 B12R1.371 C1=CC=C(C(=C1)CC(=O)NN)Cl PI-50255 [0,1,0,0,0,0|1,1,1]=4 62 B12R1.371 C1=CC=C(C(=C1)CC(=O)NN)F PI-50405 [0,1,0,0,0,0|1,0,1]=3 63 B12R1.371 C1=CC=C(C(=C1)NC(=S)NN)F PI-29541 [0,1,0,0,0,0|2,0,1]=4 64 B12R1.371 CC1=CC=CC=C1CC(=O)OC PI-50422 [0,1,0,0,0,0|2,0,1]=4 65 B12R1.371 COC(=O)CC1=CC=CC=C1Cl PI-30731 [0,1,0,0,0,0|1,1,1]=4 66 B12R1.371 COC(=O)CC1=CC=CC=C1F PI-30730 [0,1,0,0,0,0|1,0,1]=3 67 B12R1.371 COC(=O)CC1=CC=CC=C1O PI-50540 [0,1,0,0,0,0|2,0,1]=4 68 B12R1.371 COC(=O)Cc1ccccc1Br PI-26756 [0,1,0,0,0,0|1,1,1]=4 69 B10R0.71 CCCCCC=CC=CC=O PI-48529 [0,0,1,0,0,0|2,0,1]=4 70 B12R2.24 C1CC2=CC=CC=C2CC1N PI-35442 [0,0,0,1,0,0|3,0,0]=4 71 B12R2.24 C1CC2=CC=CC=C2CC1O PI-18640 [0,0,0,1,0,0|3,0,0]=4 72 B12R2.24 C1CC2=CC=CC=C2C[C@@H]1N PI-48325 [0,0,0,1,0,0|3,0,0]=4 73 B12R2.24 C1CC2=CC=CC=C2C[C@H]1N PI-48324 [0,0,0,1,0,0|3,0,0]=4 74 B12R2.24 CC1CCC2=CC=CC=C2N1 PI-33332 [0,0,0,1,0,0|2,0,0]=3 75 B12R2.24 O=C1CCc2c(C1)cccc2 PI-18642 [0,0,0,1,0,0|3,0,0]=4 76 B12R2.24 O=C1CCc2c(N1)cccc2 PI-29698 [0,0,0,1,0,0|3,0,0]=4 77 B12R2.32 CCC1=CC2=CC=CC=C2C1 PI-29198 [0,0,0,1,0,0|2,0,1]=4 78 B12R2.32 CNC1CC2=CC=CC=C2C1 PI-42263 [0,0,0,1,0,0|1,0,0]=2 79 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)Cl PI-32730 [0,0,0,1,0,0|2,1,0]=4 80 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)F PI-32729 [0,0,0,1,0,0|2,0,0]=3 81 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)I PI-32731 [0,0,0,1,0,0|2,1,0]=4 82 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)O PI-40573 [0,0,0,1,0,0|3,0,0]=4 83 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 PI-42676 [0,0,0,1,0,0|3,0,0]=4 84 B12R2.196 CN1C2=C(C=N1)C(=CC=C2)Cl PI-34935 [0,0,0,1,0,0|1,1,1]=4 85 B12R2.196 CN1C2=C(C=N1)C(=CC=C2)F PI-34937 [0,0,0,1,0,0|1,0,1]=3 86 B12R2.196 CN1C2=C(C=N1)C(=CC=C2)I PI-34936 [0,0,0,1,0,0|1,1,1]=4 87 B12R2.196 CN1C2=CC=CC(=C2C=N1)N PI-34933 [0,0,0,1,0,0|2,0,1]=4 88 B12R2.196 CN1N=CC2=C(Br)C=CC=C12 PI-34934 [0,0,0,1,0,0|1,1,1]=4 89 B12R2.196 O=C1CCc2c1cccc2Br PI-21520 [0,0,0,1,0,0|2,1,0]=4 90 B12R2.1081 C1CC2=C(C=CC=C2Br)NC1 PI-44889 [0,0,0,1,0,0|2,1,0]=4 91 B12R2.1081 C1CC2=C(C=CC=C2Br)NC1 PI-44914 [0,0,0,1,0,0|2,1,0]=4 92 B12R2.1081 CC1=C2C(=CC=C1)CCCN2 PI-29657 [0,0,0,1,0,0|3,0,0]=4 93 B12R2.1081 Nc1cccc2c1CCCC2 PI-25360 [0,0,0,1,0,0|2,0,0]=3 94 B12R2.1081 Nc1cccc2c1CCNC2 PI-17677 [0,0,0,1,0,0|1,0,0]=2 95 B12R2.1081 Oc1cccc2c1CCCC2 PI-18635 [0,0,0,1,0,0|2,0,0]=3 96 B10R1.29 CCCCc1ccsc1Br PI-36457 [0,0,0,0,1,0|2,1,0]=4 97 B9R0.45 CCCC\C=C\C=C\C=O PI-48531 [1,0,1,0,0,0|1,0,1]=4 98 B9R1.8 C1=CC(=CN=C1)CCO PI-20772 [2,0,0,0,0,0|2,0,0]=4 99 B9R1.8 C1=CC=C(C=C1)CCS PI-48520 [2,0,0,0,0,0|1,0,0]=3 100 B9R1.8 C1=CC=C(C=C1)CNN PI-12194 [2,0,0,0,0,0|1,0,0]=3 101 B9R1.8 C1=CC=C(C=C1)CNN PI-12195 [2,0,0,0,0,0|1,0,0]=3 102 B9R1.8 C1=CC=C(C=C1)CON PI-48767 [2,0,0,0,0,0|1,0,0]=3 103 B9R1.8 C1=CC=NC(=C1)CCN PI-33890 [2,0,0,0,0,0|1,0,0]=3 104 B9R1.8 C=CCC1=CC=CC=C1 PI-36465 [2,0,0,0,0,0|0,0,2]=4 105 B9R1.8 CC#CC1=CC=CC=C1 PI-48954 [2,0,0,0,0,0|0,0,2]=4 106 B9R1.8 CCCC1=CC=CC=N1 PI-13326 [2,0,0,0,0,0|1,0,0]=3 107 B9R1.8 CCCC1=CC=NC=C1 PI-28052 [2,0,0,0,0,0|1,0,0]=3 108 B9R1.8 CCC[N+]1=CC=CC=C1 PI-13348 [2,0,0,0,0,0|1,0,0]=3 109 B9R1.8 CCOC1=CC=CC=N1 PI-16377 [2,0,0,0,0,0|2,0,0]=4 110 B9R1.8 CCOC1=CC=NC=C1 PI-16378 [2,0,0,0,0,0|2,0,0]=4 111 B9R1.8 CNCC1=CC=CN=C1 PI-46624 [2,0,0,0,0,0|1,0,0]=3 112 B9R1.8 COCC1=CC=CC=C1 PI-19695 [2,0,0,0,0,0|1,0,0]=3 113 B9R1.8 COCc1ccccn1 PI-38670 [2,0,0,0,0,0|2,0,0]=4 114 B9R1.8 C\C=C\C1=CC=CC=C1 PI-42685 [2,0,0,0,0,0|0,0,2]=4 115 B9R1.8 C\C=C\C1=CC=CC=C1 PI-46536 [2,0,0,0,0,0|0,0,2]=4 116 B9R1.8 NCCc1cccnc1 PI-23439 [2,0,0,0,0,0|1,0,0]=3 117 B9R1.8 NCCc1ccncc1 PI-15907 [2,0,0,0,0,0|1,0,0]=3 118 B9R1.8 NOCc1ccccc1 PI-11329 [2,0,0,0,0,0|1,0,0]=3 119 B9R1.8 OCCC1=CC=NC=C1 PI-27680 [2,0,0,0,0,0|2,0,0]=4 120 B9R1.8 ONCC1=CC=CC=C1 PI-42266 [2,0,0,0,0,0|1,0,0]=3 121 B9R1.15 BrCc1ccccc1Br PI-11809 [2,0,0,0,0,0|1,1,0]=4 122 B9R1.15 BrCc1ccccc1I PI-29573 [2,0,0,0,0,0|1,1,0]=4 123 B9R1.15 C#CC1=CC=CC=C1F PI-30912 [2,0,0,0,0,0|0,0,2]=4 124 B9R1.15 C1=CC(=C(N=C1)CN)F PI-49343 [2,0,0,0,0,0|1,0,0]=3 125 B9R1.15 C1=CC=C(C(=C1)CBr)Cl PI-11821 [2,0,0,0,0,0|1,1,0]=4 126 B9R1.15 C1=CC=C(C(=C1)CBr)F PI-28536 [2,0,0,0,0,0|1,0,0]=3 127 B9R1.15 C1=CC=C(C(=C1)CCl)F PI-34128 [2,0,0,0,0,0|1,0,0]=3 128 B9R1.15 C1=CC=C(C(=C1)CN)Br PI-11810 [2,0,0,0,0,0|0,1,0]=3 129 B9R1.15 C1=CC=C(C(=C1)CN)Cl PI-11822 [2,0,0,0,0,0|0,1,0]=3 130 B9R1.15 C1=CC=C(C(=C1)CN)F PI-31326 [2,0,0,0,0,0|0,0,0]=2 131 B9R1.15 C1=CC=C(C(=C1)CO)Br PI-30250 [2,0,0,0,0,0|1,1,0]=4 132 B9R1.15 C1=CC=C(C(=C1)CO)Cl PI-23166 [2,0,0,0,0,0|1,1,0]=4 133 B9R1.15 C1=CC=C(C(=C1)CO)N PI-11798 [2,0,0,0,0,0|2,0,0]=4 134 B9R1.15 C1=CC=C(C(=C1)CS)Br PI-20548 [2,0,0,0,0,0|1,1,0]=4 135 B9R1.15 C1=CC=C(C(=C1)CS)Cl PI-11007 [2,0,0,0,0,0|1,1,0]=4 136 B9R1.15 C1=CC=C(C(=C1)NN)Br PI-11813 [2,0,0,0,0,0|1,1,0]=4 137 B9R1.15 C1=CC=C(C(=C1)NN)Cl PI-29581 [2,0,0,0,0,0|1,1,0]=4 138 B9R1.15 C1=CC=C(C(=C1)NN)F PI-16908 [2,0,0,0,0,0|1,0,0]=3 139 B9R1.15 C1=CC=C(C(=C1)NN)F PI-31140 [2,0,0,0,0,0|1,0,0]=3 140 B9R1.15 C=Cc1ccccc1F PI-33746 [2,0,0,0,0,0|0,0,2]=4 141 B9R1.15 CCC1=CC=CC=C1Br PI-19276 [2,0,0,0,0,0|0,1,0]=3 142 B9R1.15 CCC1=CC=CC=C1Cl PI-19970 [2,0,0,0,0,0|0,1,0]=3 143 B9R1.15 CCC1=CC=CC=C1I PI-19242 [2,0,0,0,0,0|0,1,0]=3 144 B9R1.15 CC[N+]1=CC=CC=C1Br PI-14423 [2,0,0,0,0,0|1,1,0]=4 145 B9R1.15 CC[N+]1=CC=CC=C1C PI-39505 [2,0,0,0,0,0|2,0,0]=4 146 B9R1.15 CCc1ccccc1C PI-36541 [2,0,0,0,0,0|1,0,0]=3 147 B9R1.15 CCc1ncncc1F PI-15252 [2,0,0,0,0,0|2,0,0]=4 148 B9R1.15 CNC1=CC=CC=C1F PI-28236 [2,0,0,0,0,0|0,0,0]=2 149 B9R1.15 CNC1=CC=CC=C1N PI-23401 [2,0,0,0,0,0|1,0,0]=3 150 B9R1.15 CNC1=CC=CC=C1N PI-28564 [2,0,0,0,0,0|1,0,0]=3 151 B9R1.15 CNc1cccnc1Cl PI-32645 [2,0,0,0,0,0|1,1,0]=4 152 B9R1.15 COC1=CC=CC=C1Br PI-34200 [2,0,0,0,0,0|1,1,0]=4 153 B9R1.15 COC1=CC=CC=C1Cl PI-34199 [2,0,0,0,0,0|1,1,0]=4 154 B9R1.15 COC1=CC=CC=C1F PI-12348 [2,0,0,0,0,0|1,0,0]=3 155 B9R1.15 COC1=CC=CC=C1I PI-50209 [2,0,0,0,0,0|1,1,0]=4 156 B9R1.15 COc1ccccc1S PI-21364 [2,0,0,0,0,0|2,0,0]=4 157 B9R1.15 CSC1=CC=CC=C1Br PI-11815 [2,0,0,0,0,0|1,1,0]=4 158 B9R1.15 CSC1=CC=CC=C1Cl PI-11833 [2,0,0,0,0,0|1,1,0]=4 159 B9R1.15 CSC1=CC=CC=C1F PI-11849 [2,0,0,0,0,0|1,0,0]=3 160 B9R1.15 CSC1=CC=CC=C1O PI-20874 [2,0,0,0,0,0|2,0,0]=4 161 B9R1.15 CSc1ccccc1I PI-13705 [2,0,0,0,0,0|1,1,0]=4 162 B9R1.15 N#Cc1ccccc1F PI-27555 [2,0,0,0,0,0|0,0,2]=4 163 B9R1.15 NCc1ccccc1Br PI-38543 [2,0,0,0,0,0|0,1,0]=3 164 B9R1.15 NCc1ncccc1C PI-36263 [2,0,0,0,0,0|2,0,0]=4 165 B9R1.15 NNc1ccccc1C PI-29808 [2,0,0,0,0,0|2,0,0]=4 166 B9R1.15 O=Cc1ccccc1F PI-27600 [2,0,0,0,0,0|1,0,1]=4 167 B9R1.15 OCc1ccccc1F PI-28537 [2,0,0,0,0,0|1,0,0]=3 168 B9R1.15 OCc1ccccc1O PI-36548 [2,0,0,0,0,0|2,0,0]=4 169 B9R1.15 SCc1ccccc1F PI-23494 [2,0,0,0,0,0|1,0,0]=3 170 B11R1.13 C1=CC(=C(C(=C1)F)F)CC#N PI-33129 [1,1,0,0,0,0|0,0,2]=4 171 B11R1.13 CCOC1=C(C(=CC=C1)F)F PI-21166 [1,1,0,0,0,0|1,0,0]=3 172 B11R1.41 C1=CC=C(C(=C1)CCBr)C=O PI-32624 [1,1,0,0,0,0|2,0,0]=4 173 B11R1.41 CCOc1ccccc1C#N PI-16029 [1,1,0,0,0,0|2,0,0]=4 174 B11R1.41 COC1=CC=CC=C1CCN PI-31713 [1,1,0,0,0,0|1,0,0]=3 175 B11R1.81 C1=CC(=C(C=C1Cl)Cl)CCN PI-11209 [1,1,0,0,0,0|0,1,0]=3 176 B11R1.81 C1=CC(=C(C=C1Cl)Cl)CCO PI-35237 [1,1,0,0,0,0|1,1,0]=4 177 B11R1.81 C1=CC(=C(C=C1Cl)F)CC#N PI-35241 [1,1,0,0,0,0|0,0,2]=4 178 B11R1.81 C1=CC(=C(C=C1F)Cl)CCO PI-17322 [1,1,0,0,0,0|1,1,0]=4 179 B11R1.81 C1=CC(=C(C=C1F)F)CC#N PI-28729 [1,1,0,0,0,0|0,0,2]=4 180 B11R1.81 CC1=CC(=C(C=C1)CCN)C PI-23898 [1,1,0,0,0,0|1,0,0]=3 181 B11R1.81 CCCC1=C(C=C(C=C1)O)O PI-19259 [1,1,0,0,0,0|1,0,0]=3 182 B11R1.81 CCNC1=C(C=C(C=C1)Cl)N PI-20049 [1,1,0,0,0,0|2,0,0]=4 183 B11R1.81 N#CCc1ccc(Br)cc1F PI-35860 [1,1,0,0,0,0|0,0,2]=4 184 B11R1.86 CC(=O)Cc1ccccc1F PI-38595 [1,1,0,0,0,0|0,0,1]=3 185 B11R1.86 CC(=O)NC1=CC=CC=C1F PI-34151 [1,1,0,0,0,0|1,0,1]=4 186 B11R1.86 NC(=S)Nc1ccccc1F PI-29832 [1,1,0,0,0,0|1,0,1]=4 187 B11R1.86 NC1=CC=CC=C1SC(C)C PI-40822 [1,1,0,0,0,0|2,0,0]=4 188 B11R1.86 OC(=O)Cc1ccccc1F PI-16981 [1,1,0,0,0,0|1,0,1]=4 189 B11R1.182 CC1=CC(=C(C=C1)C)CCN PI-23899 [1,1,0,0,0,0|1,0,0]=3 190 B11R1.182 CCOC1=C(C=CC(=C1)N)Br PI-16386 [1,1,0,0,0,0|1,1,0]=4 191 B11R1.182 Cc1ccc(O)cc1NCC PI-11924 [1,1,0,0,0,0|2,0,0]=4 192 B11R1.182 FC1=C(CC#N)C=C(Cl)C=C1 PI-40312 [1,1,0,0,0,0|0,0,2]=4 193 B11R1.182 Fc1ccc(cc1CC#N)F PI-28764 [1,1,0,0,0,0|0,0,2]=4 194 B11R1.222 BrCC(=O)c1ccccc1F PI-17348 [1,1,0,0,0,0|1,0,1]=4 195 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)F PI-23454 [1,1,0,0,0,0|1,0,1]=4 196 B11R1.222 CCC(=O)C1=CC=CC=C1F PI-16905 [1,1,0,0,0,0|0,0,1]=3 197 B11R1.222 CCC(=O)c1ccccc1O PI-15452 [1,1,0,0,0,0|1,0,1]=4 198 B11R1.222 COC(=O)C1=CC=CC=C1F PI-34134 [1,1,0,0,0,0|1,0,1]=4 199 B11R1.605 C1=C(C(=C(C=C1)Cl)CC#N)F PI-28801 [1,1,0,0,0,0|0,0,2]=4 200 B11R1.605 C1=CC(=C(C(=C1)Cl)CCO)Cl PI-35238 [1,1,0,0,0,0|1,1,0]=4 201 B11R1.605 CCCc1c(O)cccc1O PI-19109 [1,1,0,0,0,0|1,0,0]=3 202 B11R1.605 N#CCc1c(F)cccc1F PI-28726 [1,1,0,0,0,0|0,0,2]=4 203 B11R1.605 NCCc1c(F)cccc1Cl PI-17329 [1,1,0,0,0,0|0,0,0]=2 204 B11R1.1 C1=CC(=CC=C1CCC#N)Br PI-22541 [1,1,0,0,0,0|2,0,0]=4 205 B11R1.1 C1=CC(=CC=C1CCC=O)F PI-45774 [1,1,0,0,0,0|2,0,0]=4 206 B11R1.1 C1=CC(=CC=C1CCCO)Cl PI-20215 [1,1,0,0,0,0|2,0,0]=4 207 B11R1.1 C1=CC(=CC=C1CCCO)O PI-46961 [1,1,0,0,0,0|2,0,0]=4 208 B11R1.1 CC1=CC=C(C=C1)CCC=C PI-50176 [1,1,0,0,0,0|1,0,1]=4 209 B11R1.1 CCCCC1=CC=C(C=C1)C PI-19171 [1,1,0,0,0,0|1,0,0]=3 210 B11R1.1 CCCCC1=CC=C(C=C1)O PI-11971 [1,1,0,0,0,0|1,0,0]=3 211 B11R1.1 CCCC[N+]1=CC=C(C=C1)C PI-17144 [1,1,0,0,0,0|2,0,0]=4 212 B11R1.1 CCCCc1ccc(Br)cc1 PI-30595 [1,1,0,0,0,0|1,0,0]=3 213 B11R1.1 CCCOC1=CC=C(C=C1)Br PI-30574 [1,1,0,0,0,0|2,0,0]=4 214 B11R1.1 CCCOc1ccc(cc1)O PI-16211 [1,1,0,0,0,0|2,0,0]=4 215 B11R1.1 CNCCC1=CC=C(C=C1)O PI-43105 [1,1,0,0,0,0|0,0,0]=2 216 B11R1.1 COCCc1ccc(O)cc1 PI-12149 [1,1,0,0,0,0|1,0,0]=3 217 B11R1.1 OC1=CC=C(CCC#N)C=C1 PI-11502 [1,1,0,0,0,0|2,0,0]=4 218 B11R1.1 OCCCc1ccc(cc1)Br PI-39007 [1,1,0,0,0,0|2,0,0]=4 219 B11R1.1 [C-]#[N+]CCc1ccc(Br)cc1 PI-22265 [1,1,0,0,0,0|0,0,2]=4 220 B11R1.1 [C-]#[N+]CCc1ccc(F)cc1 PI-23814 [1,1,0,0,0,0|0,0,2]=4 221 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-30207 [1,1,0,0,0,0|2,0,0]=4 222 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-30952 [1,1,0,0,0,0|2,0,0]=4 223 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-45013 [1,1,0,0,0,0|2,0,0]=4 224 B11R1.16 CCCC(C1=CC=CC=C1)O PI-19327 [1,1,0,0,0,0|1,0,0]=3 225 B11R1.16 CCCC(C1=CC=CC=C1)O PI-19763 [1,1,0,0,0,0|1,0,0]=3 226 B11R1.16 CNOC(=O)C1=CC=CC=C1 PI-46922 [1,1,0,0,0,0|1,0,1]=4 227 B11R1.16 COCC(=O)c1ccccc1 PI-11856 [1,1,0,0,0,0|1,0,1]=4 228 B11R1.16 ClCC[C@@H](c1ccccc1)O PI-12073 [1,1,0,0,0,0|2,0,0]=4 229 B11R1.16 ClCC[C@H](c1ccccc1)O PI-12074 [1,1,0,0,0,0|2,0,0]=4 230 B11R1.24 COCOC1=CC(=CC=C1)Br PI-43270 [1,1,0,0,0,0|2,0,0]=4 231 B11R1.24 N#CCCc1cccc(c1)Br PI-22540 [1,1,0,0,0,0|2,0,0]=4 232 B11R1.28 C1=CC=C(C=C1)CCCCBr PI-13248 [1,1,0,0,0,0|1,0,0]=3 233 B11R1.28 C1=CC=C(C=C1)CCCCO PI-12011 [1,1,0,0,0,0|1,0,0]=3 234 B11R1.28 C1=CC=C(C=C1)COCCCl PI-19195 [1,1,0,0,0,0|2,0,0]=4 235 B11R1.28 C1=CC=C(C=C1)NCCCO PI-46938 [1,1,0,0,0,0|2,0,0]=4 236 B11R1.28 C1=CC=C(C=C1)OCCCBr PI-32239 [1,1,0,0,0,0|2,0,0]=4 237 B11R1.28 C1=CN=CC=C1CCCCCl PI-33973 [1,1,0,0,0,0|2,0,0]=4 238 B11R1.28 CCCCCC1=CC=CC=C1 PI-12353 [1,1,0,0,0,0|1,0,0]=3 239 B11R1.28 CCCCCC1=CC=CC=N1 PI-13331 [1,1,0,0,0,0|2,0,0]=4 240 B11R1.28 CCOCCC1=CC=CC=N1 PI-19391 [1,1,0,0,0,0|2,0,0]=4 241 B11R1.28 NCCOCc1ccccc1 PI-36880 [1,1,0,0,0,0|2,0,0]=4 242 B11R1.28 OCCOCc1ccccc1 PI-24526 [1,1,0,0,0,0|2,0,0]=4 243 B11R1.28 OCCSCc1ccccc1 PI-20759 [1,1,0,0,0,0|2,0,0]=4 244 B11R1.40 C1=CC=C(C=C1)CC(=O)NN PI-30983 [1,1,0,0,0,0|1,0,1]=4 245 B11R1.40 C1=CC=C(C=C1)CC(CN)N PI-19951 [1,1,0,0,0,0|2,0,0]=4 246 B11R1.40 CCC(=O)CC1=CC=CC=C1 PI-47129 [1,1,0,0,0,0|1,0,1]=4 247 B11R1.40 CNC(=S)Nc1ccccc1 PI-24288 [1,1,0,0,0,0|1,0,1]=4 248 B11R1.40 CNC(=S)Nc1ccccc1 PI-30591 [1,1,0,0,0,0|1,0,1]=4 249 B11R1.40 OC[C@@H](Cc1ccccc1)N PI-16474 [1,1,0,0,0,0|2,0,0]=4 250 B11R1.40 OC[C@H](Cc1ccccc1)N PI-16635 [1,1,0,0,0,0|2,0,0]=4 251 B11R1.91 C1=CC=C(C=C1)CCC(=O)Cl PI-11944 [1,1,0,0,0,0|2,0,0]=4 252 B11R1.91 CC(CCC1=CC=CC=C1)N PI-33450 [1,1,0,0,0,0|1,0,0]=3 253 B11R1.91 CN(C)N=CC1=CC=CC=C1 PI-26056 [1,1,0,0,0,0|1,0,1]=4 254 B11R1.91 C[C@@H](CCC1=CC=CC=C1)O PI-49833 [1,1,0,0,0,0|1,0,0]=3 255 B11R1.91 C[C@H](CCC1=CC=CC=C1)O PI-49832 [1,1,0,0,0,0|1,0,0]=3 256 B11R1.91 OB(O)CCc1ccccc1 PI-25460 [1,1,0,0,0,0|2,0,0]=4 257 B11R1.91 [O-][N+](=O)CCc1ccccc1 PI-35182 [1,1,0,0,0,0|1,0,1]=4 258 B13R1.3518 CCCOC1=C(C(=C(C=C1)Br)F)F PI-38656 [0,2,0,0,0,0|2,0,0]=4 259 B13R1.369 CCCCCC1=CC=C(C)C=C1O PI-37050 [0,2,0,0,0,0|2,0,0]=4 260 B13R1.2679 O=C(OC)CC1=CC=C(F)C=C1F PI-41915 [0,2,0,0,0,0|1,0,1]=4 261 B13R1.201 C1=CC=C(C(=C1)C(CC(=O)O)N)F PI-43521 [0,2,0,0,0,0|2,0,0]=4 262 B13R1.201 C1=CC=C(C(=C1)C(CC(=O)O)N)F PI-43522 [0,2,0,0,0,0|2,0,0]=4 263 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)F PI-14971 [0,2,0,0,0,0|2,0,0]=4 264 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)F PI-14972 [0,2,0,0,0,0|2,0,0]=4 265 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)F PI-27404 [0,2,0,0,0,0|2,0,0]=4 266 B13R1.470 CCOC(=O)CC1=CC=CC=C1F PI-50404 [0,2,0,0,0,0|1,0,1]=4 267 B13R1.8919 C1=CC(=C(C(=C1)Cl)CSCCN)F PI-20084 [0,2,0,0,0,0|2,0,0]=4 268 B13R1.4453 CCCC(=O)C1=C(C=CC=C1F)F PI-26989 [0,2,0,0,0,0|1,0,1]=4 269 B11R2.10 C1C(CC2=CC=CC=C21)O PI-11612 [1,0,0,1,0,0|2,0,0]=4 270 B11R2.10 CC1=CC2=CC=CC=C2C1 PI-30321 [1,0,0,1,0,0|1,0,1]=4 271 B11R2.10 CC1CC2=CC=CC=C2O1 PI-17206 [1,0,0,1,0,0|1,0,0]=3 272 B11R2.10 CC1NC2=C(C=CC=C2)C1 PI-11338 [1,0,0,1,0,0|1,0,0]=3 273 B11R2.10 NC1CC2=C(C=CC=C2)C1 PI-37165 [1,0,0,1,0,0|1,0,0]=3 274 B11R2.20 C1=Cc2c(CC1)cccc2 PI-25582 [1,0,0,1,0,0|1,0,1]=4 275 B11R2.20 C1CC2=C(C=CC=N2)NC1 PI-47349 [1,0,0,1,0,0|2,0,0]=4 276 B11R2.20 C1CC2=C(C=CN=C2)NC1 PI-47348 [1,0,0,1,0,0|2,0,0]=4 277 B11R2.20 C1CCc2c(C1)cncc2 PI-38323 [1,0,0,1,0,0|2,0,0]=4 278 B11R2.20 C1CCc2ccccc2N1 PI-32264 [1,0,0,1,0,0|1,0,0]=3 279 B11R2.20 C1CCc2cccnc2C1 PI-10313 [1,0,0,1,0,0|2,0,0]=4 280 B11R2.20 C1CN=CC2=CC=CC=C21 PI-17411 [1,0,0,1,0,0|1,0,1]=4 281 B11R2.20 C1CNCC2=CC=CC=C21 PI-17083 [1,0,0,1,0,0|1,0,0]=3 282 B11R2.20 C1CNCC2=CC=CC=C21 PI-38027 [1,0,0,1,0,0|1,0,0]=3 283 B11R2.20 C1COc2ccccc2O1 PI-31359 [1,0,0,1,0,0|2,0,0]=4 284 B11R2.106 Brc1cccc2CCNc12 PI-35985 [1,0,0,1,0,0|1,1,0]=4 285 B11R2.106 C1=CC2=C(C=CN2)C(=C1)F PI-16506 [1,0,0,1,0,0|0,0,2]=4 286 B11R2.106 C1=CC2=C(C=NN2)C(=C1)F PI-34923 [1,0,0,1,0,0|1,0,1]=4 287 B11R2.106 C1C2=C(CS1)C(=CC=C2)Br PI-48436 [1,0,0,1,0,0|1,1,0]=4 288 B11R2.106 C1CNC2=C1C(=CC=C2)Br PI-36066 [1,0,0,1,0,0|0,1,0]=3 289 B11R2.106 C1CNC2=C1C(=CC=C2)Cl PI-11092 [1,0,0,1,0,0|0,1,0]=3 290 B11R2.106 CC1=C2CNCC2=CC=C1 PI-36193 [1,0,0,1,0,0|1,0,0]=3 291 B11R2.106 Cc1cccc2c1NCC2 PI-38356 [1,0,0,1,0,0|2,0,0]=4 292 B11R2.988 OCC1C2=CC=CC=C2C1 PI-40936 [1,0,0,1,0,0|2,0,0]=4 293 B11R2.1 C1CC(=O)C2=CC=CC=C21 PI-12356 [1,0,0,1,0,0|2,0,0]=4 294 B11R2.1 C1CC2=CC=CC=C2C1N PI-41308 [1,0,0,1,0,0|2,0,0]=4 295 B11R2.1 CN1C2=CC=CC=C2N=N1 PI-17166 [1,0,0,1,0,0|2,0,0]=4 296 B11R2.1 CN1C=NC2=CC=CC=C21 PI-11703 [1,0,0,1,0,0|1,0,1]=4 297 B11R2.1 Cn1ccc2ccccc12 PI-11080 [1,0,0,1,0,0|0,0,2]=4 298 B11R2.1 NC1CCC2=C1C=CC=C2 PI-40451 [1,0,0,1,0,0|2,0,0]=4 299 B11R2.1 NC1CCc2ccccc12 PI-24340 [1,0,0,1,0,0|2,0,0]=4 300 B11R2.1 N[C@@H]1CCc2ccccc12 PI-17002 [1,0,0,1,0,0|2,0,0]=4 301 B11R2.4 N[C@H]1C[C@@H]1c2ccccc2 PI-25120 [1,0,0,1,0,0|2,0,0]=4 302 B11R2.238 C1CC1Sc2ccccc2 PI-25166 [1,0,0,1,0,0|2,0,0]=4 303 B11R2.239 C1C(CO1)C2=CC=CC=C2 PI-36427 [1,0,0,1,0,0|1,0,0]=3 304 B13R2.32 CC1CCC2=CC=CC=C2C1=O PI-17355 [0,1,0,1,0,0|2,0,0]=4 305 B13R2.5180 C1CC(=O)C2=C1C(=C(C=C2)F)F PI-34591 [0,1,0,1,0,0|2,0,0]=4 306 B13R2.3742 C1CC(=O)C2=C1C(=CC(=C2)F)F PI-34590 [0,1,0,1,0,0|2,0,0]=4 307 B13R2.33 O=C1CCC2=CC=CC=C2CC1 PI-41940 [0,1,0,1,0,0|2,0,0]=4 308 B13R2.18 C1CC(NC1)C2=CC=CC=C2F PI-27443 [0,1,0,1,0,0|1,0,0]=3 309 B13R2.18 C1CC(NC1)C2=CC=CC=C2F PI-27875 [0,1,0,1,0,0|1,0,0]=3 310 B13R2.18 C1CCC(C1)C2=CC=CC=C2O PI-49236 [0,1,0,1,0,0|2,0,0]=4 311 B13R2.342 C1CC(C2=C(C1)C(=CC=C2)O)O PI-25547 [0,1,0,1,0,0|2,0,0]=4 312 B13R2.342 C1CC2=C(C=CC=C2F)C(=O)C1 PI-32666 [0,1,0,1,0,0|1,0,1]=4 313 B13R2.342 C1COC2=C(C1=O)C=CC=C2F PI-32684 [0,1,0,1,0,0|2,0,0]=4 314 B13R2.342 O=C1NCCc2c(O)cccc12 PI-36228 [0,1,0,1,0,0|1,0,1]=4 315 B13R2.4818 O=C1CCCC2=C1C(F)=CC=C2 PI-32670 [0,1,0,1,0,0|1,0,1]=4 316 B13R2.4857 CN1C2=C(C(=CC=C2)F)C(=N1)N PI-34971 [0,1,0,1,0,0|1,0,1]=4 317 B13R2.4825 O=C1C(C)CC2=C1C=CC=C2F PI-40269 [0,1,0,1,0,0|2,0,0]=4 318 B9R1.12 CCCCC1=CC=CS1 PI-44597 [1,0,0,0,1,0|2,0,0]=4 319 B9R1.12 CCCCC1=CSC=C1 PI-36456 [1,0,0,0,1,0|2,0,0]=4