0 B10R1.20 C#CC1=CC=CC=C1C=O PI-26604 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.20 C#Cc1ccccc1OC PI-30918 [0,0,0,0,0,0|0,0,2]=2 2 B10R1.20 C1=CC=C(C(=C1)C=O)C#N PI-11835 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.20 C1=CC=C(C(=C1)CBr)CBr PI-19978 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.20 C1=CC=C(C(=C1)CCl)C#N PI-11826 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.20 C1=CC=C(C(=C1)CO)CO PI-11672 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.20 CCC1=CC=CC=C1C=O PI-35265 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.20 CCC1=CC=CC=C1NN PI-12293 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.20 CCC1=CC=CC=C1NN PI-50566 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.20 CCC1=NC=CN=C1OC PI-11043 [0,0,0,0,0,0|2,0,2]=4 10 B10R1.20 CCc1ccccc1CC PI-38722 [0,0,0,0,0,0|1,0,2]=3 11 B10R1.20 COC1=C(C=NC=C1)C=O PI-50082 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.20 COC1=CC=CC=C1CN PI-31715 [0,0,0,0,0,0|1,0,1]=2 13 B10R1.20 COC1=CC=CC=C1NN PI-29852 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.20 COC1=CC=CC=C1NN PI-50513 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.20 COC1=CC=CC=C1SC PI-11860 [0,0,0,0,0,0|1,0,1]=2 16 B10R1.20 COc1ccccc1CCl PI-34182 [0,0,0,0,0,0|1,0,1]=2 17 B10R1.20 COc1ncccc1C=O PI-26862 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.20 COc1ncccc1OC PI-16034 [0,0,0,0,0,0|2,0,1]=3 19 B10R1.20 CSC1=CC=CC=C1C=O PI-27861 [0,0,0,0,0,0|1,1,0]=2 20 B10R1.20 N#Cc1ccccc1CBr PI-12730 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.20 N#Cc1ccccc1CN PI-38828 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.20 N#Cc1ccccc1CO PI-38221 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.20 N#Cc1ccccc1OC PI-11857 [0,0,0,0,0,0|1,0,1]=2 24 B10R1.20 O=Cc1ccccc1C=O PI-31254 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.15 BrC1=NC=CC=C1C=O PI-39999 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.15 BrCc1ccccc1Br PI-11809 [1,0,0,0,0,0|2,0,1]=4 27 B9R1.15 BrCc1ccccc1I PI-29573 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.15 C#CC1=CC=CC=C1Cl PI-30962 [1,0,0,0,0,0|1,0,2]=4 29 B9R1.15 C#CC1=CC=CC=C1F PI-30912 [1,0,0,0,0,0|1,0,2]=4 30 B9R1.15 C#Cc1ccccc1Br PI-30911 [1,0,0,0,0,0|1,0,2]=4 31 B9R1.15 C1=CC(=C(N=C1)C#N)O PI-31932 [1,0,0,0,0,0|2,0,1]=4 32 B9R1.15 C1=CC(=C(N=C1)C=O)O PI-20863 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.15 C1=CC(=C(N=C1)CO)O PI-16743 [1,0,0,0,0,0|2,0,1]=4 34 B9R1.15 C1=CC(=C(N=C1)Cl)C=O PI-34991 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.15 C1=CC(=C(N=C1)F)C=O PI-39564 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.15 C1=CC=C(C(=C1)C#N)I PI-10113 [1,0,0,0,0,0|2,0,1]=4 37 B9R1.15 C1=CC=C(C(=C1)C=O)Br PI-11807 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.15 C1=CC=C(C(=C1)CBr)Cl PI-11821 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.15 C1=CC=C(C(=C1)CBr)F PI-28536 [1,0,0,0,0,0|2,0,1]=4 40 B9R1.15 C1=CC=C(C(=C1)CCl)F PI-34128 [1,0,0,0,0,0|2,0,1]=4 41 B9R1.15 C1=CC=C(C(=C1)CN)Br PI-11810 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.15 C1=CC=C(C(=C1)CN)Cl PI-11822 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.15 C1=CC=C(C(=C1)CN)F PI-31326 [1,0,0,0,0,0|2,0,1]=4 44 B9R1.15 C1=CC=C(C(=C1)CO)Br PI-30250 [1,0,0,0,0,0|2,0,1]=4 45 B9R1.15 C1=CC=C(C(=C1)CO)Cl PI-23166 [1,0,0,0,0,0|2,0,1]=4 46 B9R1.15 C1=CC=C(C(=C1)CO)N PI-11798 [1,0,0,0,0,0|2,0,1]=4 47 B9R1.15 C1=CC=C(C(=C1)CS)Br PI-20548 [1,0,0,0,0,0|2,0,1]=4 48 B9R1.15 C1=CC=C(C(=C1)CS)Cl PI-11007 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.15 C1=CC=C(C(=C1)NN)Br PI-11813 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.15 C1=CC=C(C(=C1)NN)Cl PI-29581 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.15 C1=CC=C(C(=C1)NN)F PI-16908 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.15 C1=CC=C(C(=C1)NN)F PI-31140 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.15 C1=CN=CC(=C1C=O)O PI-34863 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.15 C1=CN=CC(=C1N)C=O PI-14094 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.15 C=CC1=CC=CC=C1Br PI-14519 [1,0,0,0,0,0|1,0,0]=2 56 B9R1.15 C=Cc1ccccc1F PI-33746 [1,0,0,0,0,0|1,0,0]=2 57 B9R1.15 CC1=C(N=CC=C1)C#N PI-16162 [1,0,0,0,0,0|2,0,1]=4 58 B9R1.15 CC1=CC=CC=C1C=O PI-27677 [1,0,0,0,0,0|1,0,0]=2 59 B9R1.15 CCC1=CC=CC=C1Br PI-19276 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.15 CCC1=CC=CC=C1Cl PI-19970 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.15 CCC1=CC=CC=C1I PI-19242 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.15 CC[N+]1=CC=CC=C1Br PI-14423 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.15 CC[N+]1=CC=CC=C1C PI-39505 [1,0,0,0,0,0|1,0,2]=4 64 B9R1.15 CCc1ccccc1C PI-36541 [1,0,0,0,0,0|0,0,2]=3 65 B9R1.15 CNC1=CC=CC=C1F PI-28236 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.15 CNC1=CC=CC=C1N PI-23401 [1,0,0,0,0,0|2,0,0]=3 67 B9R1.15 CNC1=CC=CC=C1N PI-28564 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.15 CNc1cccnc1Cl PI-32645 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.15 COC1=C(C=CC=N1)Br PI-26112 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.15 COC1=C(C=CC=N1)N PI-24213 [1,0,0,0,0,0|2,0,0]=3 71 B9R1.15 COC1=C(N=CC=C1)I PI-26982 [1,0,0,0,0,0|2,0,0]=3 72 B9R1.15 COC1=CC=CC=C1Br PI-34200 [1,0,0,0,0,0|1,0,0]=2 73 B9R1.15 COC1=CC=CC=C1Cl PI-34199 [1,0,0,0,0,0|1,0,0]=2 74 B9R1.15 COC1=CC=CC=C1F PI-12348 [1,0,0,0,0,0|1,0,0]=2 75 B9R1.15 COC1=CC=CC=C1I PI-50209 [1,0,0,0,0,0|1,0,0]=2 76 B9R1.15 COC1=NC=NC=C1Br PI-45125 [1,0,0,0,0,0|3,0,0]=4 77 B9R1.15 COC1=NC=NC=C1Cl PI-45151 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.15 COc1ccc[nH]c1=O PI-26288 [1,0,0,0,0,0|2,0,0]=3 79 B9R1.15 COc1ccccc1S PI-21364 [1,0,0,0,0,0|1,0,0]=2 80 B9R1.15 COc1cccnc1Br PI-26342 [1,0,0,0,0,0|2,0,0]=3 81 B9R1.15 COc1cccnc1Cl PI-27671 [1,0,0,0,0,0|2,0,0]=3 82 B9R1.15 COc1cncnc1Cl PI-36368 [1,0,0,0,0,0|3,0,0]=4 83 B9R1.15 COc1nccnc1C PI-11042 [1,0,0,0,0,0|2,0,1]=4 84 B9R1.15 CSC1=CC=CC=C1Br PI-11815 [1,0,0,0,0,0|1,1,0]=3 85 B9R1.15 CSC1=CC=CC=C1Cl PI-11833 [1,0,0,0,0,0|1,1,0]=3 86 B9R1.15 CSC1=CC=CC=C1F PI-11849 [1,0,0,0,0,0|1,1,0]=3 87 B9R1.15 CSC1=CC=CC=C1O PI-20874 [1,0,0,0,0,0|1,0,1]=3 88 B9R1.15 CSc1ccccc1I PI-13705 [1,0,0,0,0,0|1,1,0]=3 89 B9R1.15 N#Cc1ccccc1Br PI-11808 [1,0,0,0,0,0|2,0,1]=4 90 B9R1.15 N#Cc1ccccc1Cl PI-34735 [1,0,0,0,0,0|2,0,1]=4 91 B9R1.15 N#Cc1ccccc1F PI-27555 [1,0,0,0,0,0|2,0,1]=4 92 B9R1.15 N#Cc1ccccc1N PI-11517 [1,0,0,0,0,0|2,0,1]=4 93 B9R1.15 N#Cc1ccccc1O PI-11836 [1,0,0,0,0,0|1,0,1]=3 94 B9R1.15 N#Cc1cnccc1C PI-16376 [1,0,0,0,0,0|2,0,1]=4 95 B9R1.15 NC1=NC=CC=C1OC PI-39996 [1,0,0,0,0,0|2,0,0]=3 96 B9R1.15 NCc1ccccc1Br PI-38543 [1,0,0,0,0,0|2,0,1]=4 97 B9R1.15 NCc1ncccc1C PI-36263 [1,0,0,0,0,0|2,0,1]=4 98 B9R1.15 NNc1ccccc1C PI-29808 [1,0,0,0,0,0|2,0,0]=3 99 B9R1.15 O=CC1=C(Cl)C=CN=C1 PI-37019 [1,0,0,0,0,0|3,0,0]=4 100 B9R1.15 O=CC1=CC=CC=C1I PI-27403 [1,0,0,0,0,0|2,0,0]=3 101 B9R1.15 O=Cc1ccccc1Cl PI-34387 [1,0,0,0,0,0|2,0,0]=3 102 B9R1.15 O=Cc1ccccc1F PI-27600 [1,0,0,0,0,0|2,0,0]=3 103 B9R1.15 O=Cc1cccnc1N PI-15940 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.15 O=Cc1cnccc1Br PI-36813 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.15 OCc1ccccc1F PI-28537 [1,0,0,0,0,0|2,0,1]=4 106 B9R1.15 OCc1ccccc1O PI-36548 [1,0,0,0,0,0|1,0,1]=3 107 B9R1.15 SCc1ccccc1F PI-23494 [1,0,0,0,0,0|2,0,1]=4 108 B9R1.15 [C-]#[N+]c1ccccc1Br PI-22495 [1,0,0,0,0,0|2,0,1]=4 109 B11R1.37 C1=CC(=C(C=C1F)C#N)C=O PI-26905 [0,1,0,0,0,0|3,0,0]=4 110 B11R1.37 CC1=CC(=C(C=C1)OC)OC PI-23359 [0,1,0,0,0,0|1,0,1]=3 111 B11R1.37 CNC1=C(C=C(C=C1)Cl)C#N PI-12025 [0,1,0,0,0,0|2,0,1]=4 112 B11R1.37 COC1=C(C=C(C=C1)Br)C=O PI-31926 [0,1,0,0,0,0|1,0,0]=2 113 B11R1.37 COC1=C(C=C(C=C1)Br)CO PI-45731 [0,1,0,0,0,0|1,0,1]=3 114 B11R1.37 COC1=C(C=C(C=C1)Cl)C#N PI-19723 [0,1,0,0,0,0|1,0,1]=3 115 B11R1.37 COC1=C(C=C(C=C1)F)C#N PI-34276 [0,1,0,0,0,0|1,0,1]=3 116 B11R1.37 COC1=C(C=C(C=C1)F)OC PI-23227 [0,1,0,0,0,0|1,0,1]=3 117 B11R1.37 COC1=C(C=C(C=C1)I)C=O PI-26632 [0,1,0,0,0,0|1,0,0]=2 118 B11R1.37 COC1=C(C=C(C=C1)S)OC PI-21358 [0,1,0,0,0,0|1,0,1]=3 119 B11R1.37 COC1=C(C=C(C=N1)Br)C=O PI-26036 [0,1,0,0,0,0|2,0,0]=3 120 B11R1.37 COC1=C(C=CC(=C1)F)C#N PI-23714 [0,1,0,0,0,0|1,0,1]=3 121 B11R1.37 COc1cc(Br)ccc1OC PI-21655 [0,1,0,0,0,0|1,0,1]=3 122 B11R1.37 COc1cc(F)ccc1C=O PI-38318 [0,1,0,0,0,0|1,0,0]=2 123 B11R1.37 COc1cc(I)ccc1OC PI-23242 [0,1,0,0,0,0|1,0,1]=3 124 B11R1.37 COc1cc(N)ccc1C#N PI-38838 [0,1,0,0,0,0|1,0,1]=3 125 B11R1.37 COc1cc(N)ccc1OC PI-23186 [0,1,0,0,0,0|1,0,1]=3 126 B11R1.37 COc1cc(O)ccc1C=O PI-11990 [0,1,0,0,0,0|1,0,0]=2 127 B11R1.37 COc1cc(O)ccc1OC PI-28261 [0,1,0,0,0,0|1,0,1]=3 128 B11R1.37 O=CC1=C(OC)N=CC(F)=C1 PI-40474 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.37 O=Cc1cc(Cl)ccc1OC PI-27028 [0,1,0,0,0,0|1,0,0]=2 130 B11R1.41 C1=CC=C(C(=C1)CCBr)C=O PI-32624 [0,1,0,0,0,0|2,0,0]=3 131 B11R1.41 CCOc1ccccc1C#N PI-16029 [0,1,0,0,0,0|1,0,1]=3 132 B11R1.41 COC1=CC=CC=C1CCN PI-31713 [0,1,0,0,0,0|0,0,2]=3 133 B11R1.41 COC1=CC=CC=C1N=C=O PI-11426 [0,1,0,0,0,0|1,0,1]=3 134 B11R1.41 O\N=C\c1ccccc1OC PI-27438 [0,1,0,0,0,0|1,0,0]=2 135 B11R1.53 B(C1=C(N=CC=C1)OC)(O)O PI-25218 [0,1,0,0,0,0|3,0,0]=4 136 B11R1.53 B(C1=CC=CC=C1C=C)(O)O PI-25181 [0,1,0,0,0,0|2,0,0]=3 137 B11R1.53 B(C1=CC=CC=C1CC)(O)O PI-32999 [0,1,0,0,0,0|3,0,0]=4 138 B11R1.53 C#CC1=CC=CC=C1C(=O)O PI-46516 [0,1,0,0,0,0|2,0,1]=4 139 B11R1.53 C1=CC=C(C(=C1)C#N)C(=O)N PI-30209 [0,1,0,0,0,0|3,0,0]=4 140 B11R1.53 C1=CC=C(C(=C1)C#N)C(=O)O PI-10222 [0,1,0,0,0,0|3,0,0]=4 141 B11R1.53 C1=CC=C(C(=C1)CCl)C(=O)Cl PI-46932 [0,1,0,0,0,0|3,0,0]=4 142 B11R1.53 C1=CC=CC(=C1CCl)C(O)=O PI-32625 [0,1,0,0,0,0|3,0,0]=4 143 B11R1.53 CC(=O)C1=CC=CC=C1C#N PI-30977 [0,1,0,0,0,0|2,0,1]=4 144 B11R1.53 CNC1=CC=CC=C1C(=O)N PI-30904 [0,1,0,0,0,0|2,0,0]=3 145 B11R1.53 CNC1=CC=CC=C1C(=O)O PI-50482 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.53 COC1=C(C=CC=N1)[N+](=O)[O-] PI-40023 [0,1,0,0,0,0|3,0,0]=4 147 B11R1.53 COC1=C(C=CN=C1)C(=O)O PI-28728 [0,1,0,0,0,0|2,0,0]=3 148 B11R1.53 COC1=C(C=NC=C1)[N+](=O)[O-] PI-24318 [0,1,0,0,0,0|3,0,0]=4 149 B11R1.53 COC1=C(C=NC=C1)[N+](=O)[O-] PI-29475 [0,1,0,0,0,0|3,0,0]=4 150 B11R1.53 COC1=C(N=CC=C1)[N+](=O)[O-] PI-16711 [0,1,0,0,0,0|3,0,0]=4 151 B11R1.53 COC1=CC=CC=C1C(=O)N PI-30368 [0,1,0,0,0,0|1,0,0]=2 152 B11R1.53 COC1=NC=NC=C1C(=O)O PI-45147 [0,1,0,0,0,0|3,0,0]=4 153 B11R1.53 COc1ccccc1C(=O)C PI-12757 [0,1,0,0,0,0|0,0,1]=2 154 B11R1.53 COc1ccccc1C(=O)Cl PI-11858 [0,1,0,0,0,0|1,0,0]=2 155 B11R1.53 COc1ccncc1B(O)O PI-25481 [0,1,0,0,0,0|3,0,0]=4 156 B11R1.53 COc1ncccc1C(=O)O PI-16704 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.53 CSC1=C(C=CC=N1)C(=O)Cl PI-30995 [0,1,0,0,0,0|2,1,0]=4 158 B11R1.53 CSC1=CC=CC=C1[N+](=O)[O-] PI-11877 [0,1,0,0,0,0|2,1,0]=4 159 B11R1.53 CSc1ccccc1B(O)O PI-11570 [0,1,0,0,0,0|2,1,0]=4 160 B11R1.53 NNc1ccccc1C(=O)O PI-18621 [0,1,0,0,0,0|3,0,0]=4 161 B11R1.53 O=Cc1ccccc1B(O)O PI-16628 [0,1,0,0,0,0|3,0,0]=4 162 B11R1.53 O=Cc1ccccc1C(=O)O PI-36784 [0,1,0,0,0,0|3,0,0]=4 163 B11R1.53 O=Cc1ccccc1N(C)C PI-23369 [0,1,0,0,0,0|2,0,0]=3 164 B11R1.53 O=Cc1ccccc1[N+](=O)[O-] PI-28637 [0,1,0,0,0,0|3,0,0]=4 165 B11R1.265 C1=CC(=C(C(=C1)F)C=O)C#N PI-34257 [0,1,0,0,0,0|3,0,0]=4 166 B11R1.265 COC1=C(C(=CC=C1)F)C#N PI-10703 [0,1,0,0,0,0|1,0,1]=3 167 B11R1.265 COC1=C(C(=NC=C1)Cl)OC PI-26028 [0,1,0,0,0,0|2,0,1]=4 168 B11R1.265 COC1=C(C(=O)NC=C1)C#N PI-12778 [0,1,0,0,0,0|2,0,1]=4 169 B11R1.265 COC1=C(C=CC=C1F)C#N PI-34278 [0,1,0,0,0,0|1,0,1]=3 170 B11R1.265 COC1=C(C=CC=C1F)C=O PI-10581 [0,1,0,0,0,0|1,0,0]=2 171 B11R1.265 COC1=CC=CC(=C1OC)N PI-23185 [0,1,0,0,0,0|1,0,1]=3 172 B11R1.265 COC1=NC=CC(=C1C=O)I PI-26178 [0,1,0,0,0,0|2,0,0]=3 173 B11R1.265 COc1c(OC)cccc1F PI-23612 [0,1,0,0,0,0|1,0,1]=3 174 B11R1.265 COc1c(OC)cccc1O PI-21294 [0,1,0,0,0,0|1,0,1]=3 175 B11R1.265 COc1cccc(Cl)c1C#N PI-19015 [0,1,0,0,0,0|1,0,1]=3 176 B11R1.265 COc1cccc(F)c1C=O PI-27188 [0,1,0,0,0,0|1,0,0]=2 177 B11R1.265 COc1cccc(F)c1CN PI-30162 [0,1,0,0,0,0|1,0,1]=3 178 B11R1.265 O=CC1=C(OC)C=CC=C1O PI-29855 [0,1,0,0,0,0|1,0,0]=2 179 B11R2.1 C1=CC2=C(NN=C2C=C1)Br PI-34805 [0,0,0,1,0,0|3,0,0]=4 180 B11R2.1 C1=CC=C2C(=C1)C(=CN2)Br PI-34828 [0,0,0,1,0,0|2,0,1]=4 181 B11R2.1 C1=CC=C2C(=C1)C(=CO2)Br PI-17445 [0,0,0,1,0,0|1,0,1]=3 182 B11R2.1 C1=CC=C2C(=C1)C(=CS2)Br PI-14249 [0,0,0,1,0,0|1,1,1]=4 183 B11R2.1 C1=CC=C2C(=C1)C(=CS2)O PI-14308 [0,0,0,1,0,0|1,1,1]=4 184 B11R2.1 C1=CC=C2C(=C1)C(=NO2)N PI-14154 [0,0,0,1,0,0|2,0,0]=3 185 B11R2.1 C1=CC=C2C(=C1)C(=NS2)Cl PI-12200 [0,0,0,1,0,0|2,1,0]=4 186 B11R2.1 C1=CC=C2C(=C1)C(=O)NS2 PI-11536 [0,0,0,1,0,0|2,1,0]=4 187 B11R2.1 C1=CC=C2C(=C1)C=CS2=O PI-14312 [0,0,0,1,0,0|1,1,0]=3 188 B11R2.1 C1=CC=C2C(=C1)C=NN2N PI-44096 [0,0,0,1,0,0|3,0,0]=4 189 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-27871 [0,0,0,1,0,0|1,0,0]=2 190 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-33947 [0,0,0,1,0,0|1,0,0]=2 191 B11R2.1 C1CC(=O)C2=CC=CC=C21 PI-12356 [0,0,0,1,0,0|2,0,0]=3 192 B11R2.1 C1CC2=CC=CC=C2C1N PI-41308 [0,0,0,1,0,0|2,0,1]=4 193 B11R2.1 CC1=CSC2=CC=CC=C12 PI-26140 [0,0,0,1,0,0|2,0,0]=3 194 B11R2.1 CN1C2=CC=CC=C2N=N1 PI-17166 [0,0,0,1,0,0|3,0,0]=4 195 B11R2.1 CN1C=NC2=CC=CC=C21 PI-11703 [0,0,0,1,0,0|2,0,0]=3 196 B11R2.1 Cc1c[nH]c2c1cccc2 PI-10761 [0,0,0,1,0,0|2,0,0]=3 197 B11R2.1 ClC1=NOC2=C1C=CC=C2 PI-15670 [0,0,0,1,0,0|2,0,0]=3 198 B11R2.1 Cn1ccc2ccccc12 PI-11080 [0,0,0,1,0,0|1,0,0]=2 199 B11R2.1 NC1CCC2=C1C=CC=C2 PI-40451 [0,0,0,1,0,0|2,0,1]=4 200 B11R2.1 NC1CCc2ccccc12 PI-24340 [0,0,0,1,0,0|2,0,1]=4 201 B11R2.1 N[C@@H]1CCc2ccccc12 PI-17002 [0,0,0,1,0,0|2,0,1]=4 202 B11R2.1 O=C1C2=CC=CC=C2SC1 PI-42644 [0,0,0,1,0,0|1,1,0]=3 203 B11R2.1 O=C1OCc2c1cccc2 PI-33738 [0,0,0,1,0,0|3,0,0]=4 204 B11R2.1 O=C1SSC2=CC=CC=C12 PI-41753 [0,0,0,1,0,0|2,1,0]=4 205 B11R2.20 C12=CC=CN=C1C=CC=C2 PI-47013 [0,0,0,1,0,0|1,0,1]=3 206 B11R2.20 C1=CC2=C(C=CN=C2)N=C1 PI-13294 [0,0,0,1,0,0|2,0,1]=4 207 B11R2.20 C1=CC2=C(N=C1)N=CC=C2 PI-18404 [0,0,0,1,0,0|2,0,1]=4 208 B11R2.20 C1=CC=C2C(=C1)C=CC=N2 PI-29663 [0,0,0,1,0,0|1,0,1]=3 209 B11R2.20 C1=Cc2c(CC1)cccc2 PI-25582 [0,0,0,1,0,0|1,0,0]=2 210 B11R2.20 C1CCc2ccccc2N1 PI-32264 [0,0,0,1,0,0|1,0,2]=4 211 B11R2.20 C1CN=CC2=CC=CC=C21 PI-17411 [0,0,0,1,0,0|2,0,0]=3 212 B11R2.20 C1CNCC2=CC=CC=C21 PI-17083 [0,0,0,1,0,0|2,0,1]=4 213 B11R2.20 C1CNCC2=CC=CC=C21 PI-38027 [0,0,0,1,0,0|2,0,1]=4 214 B11R2.20 C1COC2=C(N1)N=CC=C2 PI-34187 [0,0,0,1,0,0|2,0,1]=4 215 B11R2.20 C1COc2ccccc2O1 PI-31359 [0,0,0,1,0,0|1,0,1]=3 216 B11R2.20 c1ccc2c(c1)cnnc2 PI-38024 [0,0,0,1,0,0|3,0,0]=4 217 B11R2.20 c1cnc2c(c1)nccc2 PI-18405 [0,0,0,1,0,0|2,0,1]=4 218 B9R1.14 COC1=CSC=C1OC PI-29650 [0,0,0,0,1,0|2,0,1]=4 219 B8R1.2 BrCC1=CC=CC=C1 PI-36476 [2,0,0,0,0,0|1,0,1]=4 220 B8R1.2 C#CC1=CC=CC=C1 PI-48958 [2,0,0,0,0,0|0,0,2]=4 221 B8R1.2 CCC1=CC=CC=N1 PI-49466 [2,0,0,0,0,0|2,0,0]=4 222 B8R1.2 CC[N+]1=CC=CC=C1 PI-13342 [2,0,0,0,0,0|2,0,0]=4 223 B8R1.2 CC[N+]1=CC=CC=C1 PI-13347 [2,0,0,0,0,0|2,0,0]=4 224 B8R1.2 CNC1=CC=CC=N1 PI-11864 [2,0,0,0,0,0|2,0,0]=4 225 B8R1.2 CNC1=CC=NC=C1 PI-23603 [2,0,0,0,0,0|2,0,0]=4 226 B8R1.2 CNC1=CN=CC=C1 PI-11328 [2,0,0,0,0,0|2,0,0]=4 227 B8R1.2 COC1=CC=CC=N1 PI-33887 [2,0,0,0,0,0|1,0,0]=3 228 B8R1.2 COC1=CC=NC=C1 PI-10034 [2,0,0,0,0,0|1,0,0]=3 229 B8R1.2 COC1=CN=CC=C1 PI-33889 [2,0,0,0,0,0|1,0,0]=3 230 B8R1.2 COC1=NC=CN=C1 PI-11859 [2,0,0,0,0,0|2,0,0]=4 231 B8R1.2 CSC1=CC=CC=N1 PI-16757 [2,0,0,0,0,0|1,1,0]=4 232 B8R1.2 NCC1=CC=CC=C1 PI-37209 [2,0,0,0,0,0|1,0,1]=4 233 B8R1.2 NNC1=CC=CC=C1 PI-41551 [2,0,0,0,0,0|2,0,0]=4 234 B8R1.2 O=Cc1ccccn1 PI-33895 [2,0,0,0,0,0|2,0,0]=4 235 B8R1.2 O=Cc1cccnc1 PI-33908 [2,0,0,0,0,0|2,0,0]=4 236 B8R1.2 O=Cc1ccncc1 PI-13140 [2,0,0,0,0,0|2,0,0]=4 237 B8R1.2 ONc1ccccc1 PI-38448 [2,0,0,0,0,0|2,0,0]=4 238 B8R1.2 [C-]#CC1=CC=CC=C1 PI-48435 [2,0,0,0,0,0|0,0,2]=4 239 B8R1.5 Brc1ccccc1Br PI-38145 [2,0,0,0,0,0|2,0,0]=4 240 B8R1.5 C1=CC(=C(N=C1)Cl)O PI-16697 [2,0,0,0,0,0|2,0,0]=4 241 B8R1.5 C1=CC(=C(N=C1)F)O PI-40205 [2,0,0,0,0,0|2,0,0]=4 242 B8R1.5 C1=CC(=O)N(C=C1)O PI-43160 [2,0,0,0,0,0|2,0,0]=4 243 B8R1.5 C1=CC(=S)N(C=C1)O PI-13313 [2,0,0,0,0,0|2,0,0]=4 244 B8R1.5 C1=CC(=S)N(C=C1)O PI-15830 [2,0,0,0,0,0|2,0,0]=4 245 B8R1.5 C1=CC=C(C(=C1)Cl)Br PI-41004 [2,0,0,0,0,0|2,0,0]=4 246 B8R1.5 C1=CC=C(C(=C1)Cl)Cl PI-21004 [2,0,0,0,0,0|2,0,0]=4 247 B8R1.5 C1=CC=C(C(=C1)F)I PI-23606 [2,0,0,0,0,0|2,0,0]=4 248 B8R1.5 C1=CC=C(C(=C1)F)S PI-16911 [2,0,0,0,0,0|1,1,0]=4 249 B8R1.5 C1=CC=C(C(=C1)N)I PI-10964 [2,0,0,0,0,0|2,0,0]=4 250 B8R1.5 C1=CC=C(C(=C1)N)N PI-17100 [2,0,0,0,0,0|2,0,0]=4 251 B8R1.5 C1=CC=C(C(=C1)O)F PI-11848 [2,0,0,0,0,0|1,0,0]=3 252 B8R1.5 CC1=C(Br)C=CN=C1 PI-40508 [2,0,0,0,0,0|2,0,0]=4 253 B8R1.5 CC1=C(C=CC=N1)Br PI-23460 [2,0,0,0,0,0|2,0,0]=4 254 B8R1.5 CC1=C(C=CN=C1)Cl PI-40252 [2,0,0,0,0,0|2,0,0]=4 255 B8R1.5 CC1=C(C=CN=C1)N PI-14242 [2,0,0,0,0,0|2,0,0]=4 256 B8R1.5 CC1=C(C=NC=C1)F PI-16771 [2,0,0,0,0,0|2,0,0]=4 257 B8R1.5 CC1=C(C=NC=C1)O PI-34258 [2,0,0,0,0,0|1,0,1]=4 258 B8R1.5 CC1=C(N=CC=C1)F PI-16763 [2,0,0,0,0,0|2,0,0]=4 259 B8R1.5 CC1=C(N=CC=C1)N PI-33812 [2,0,0,0,0,0|2,0,0]=4 260 B8R1.5 CC1=CC=CC=C1I PI-10980 [2,0,0,0,0,0|1,0,0]=3 261 B8R1.5 CC1=CC=CC=[N+]1N PI-45950 [2,0,0,0,0,0|2,0,0]=4 262 B8R1.5 Cc1ccccc1F PI-34118 [2,0,0,0,0,0|1,0,0]=3 263 B8R1.5 Cc1cccnc1Br PI-28405 [2,0,0,0,0,0|2,0,0]=4 264 B8R1.5 Cc1cccnc1Cl PI-33878 [2,0,0,0,0,0|2,0,0]=4 265 B8R1.5 Cc1ccncc1Br PI-23509 [2,0,0,0,0,0|2,0,0]=4 266 B8R1.5 Cc1ccncc1N PI-24336 [2,0,0,0,0,0|2,0,0]=4 267 B8R1.5 Cc1cnccc1Br PI-33360 [2,0,0,0,0,0|2,0,0]=4 268 B8R1.5 Cc1cnccc1O PI-38275 [2,0,0,0,0,0|1,0,1]=4 269 B8R1.5 Clc1cccc[n+]1C PI-17309 [2,0,0,0,0,0|2,0,0]=4 270 B8R1.5 Fc1ccccc1Br PI-33063 [2,0,0,0,0,0|2,0,0]=4 271 B8R1.5 Fc1ccccc1F PI-11671 [2,0,0,0,0,0|2,0,0]=4 272 B8R1.5 IC1=CC=CC=C1Br PI-21523 [2,0,0,0,0,0|2,0,0]=4 273 B8R1.5 IC1=CC=CC=C1I PI-21274 [2,0,0,0,0,0|2,0,0]=4 274 B8R1.5 Nc1cccnc1C PI-13066 [2,0,0,0,0,0|2,0,0]=4 275 B8R1.5 O=c1[nH]cccc1C PI-16687 [2,0,0,0,0,0|2,0,0]=4 276 B8R1.5 O=c1ccccn1C PI-10985 [2,0,0,0,0,0|2,0,0]=4 277 B8R1.5 OC1=C(I)C=CC=C1 PI-10953 [2,0,0,0,0,0|1,0,0]=3 278 B8R1.5 OC1=NC=CC=C1Br PI-37057 [2,0,0,0,0,0|2,0,0]=4 279 B8R1.5 Oc1ccccc1Br PI-10952 [2,0,0,0,0,0|1,0,0]=3 280 B8R1.5 Oc1ccccc1O PI-31351 [2,0,0,0,0,0|1,0,0]=3 281 B8R1.5 Oc1ccccc1S PI-20878 [2,0,0,0,0,0|1,0,0]=3 282 B8R1.5 Oc1cccnc1Br PI-16727 [2,0,0,0,0,0|2,0,0]=4 283 B8R1.5 Oc1cccnc1C PI-13315 [2,0,0,0,0,0|1,0,1]=4 284 B8R1.5 Oc1cccnc1N PI-16260 [2,0,0,0,0,0|2,0,0]=4 285 B8R1.5 Oc1ccncc1Br PI-38971 [2,0,0,0,0,0|2,0,0]=4 286 B8R1.5 Oc1ncccc1O PI-11386 [2,0,0,0,0,0|2,0,0]=4 287 B10R1.2 C1=CC(=C(C(=C1)Br)O)C=O PI-27283 [1,1,0,0,0,0|1,0,0]=3 288 B10R1.2 C1=CC(=C(C(=C1)F)Cl)C=O PI-28939 [1,1,0,0,0,0|2,0,0]=4 289 B10R1.2 C1=CC(=C(C(=C1)F)F)C=O PI-28322 [1,1,0,0,0,0|2,0,0]=4 290 B10R1.2 C1=CC(=C(C(=C1)F)O)C=O PI-18520 [1,1,0,0,0,0|1,0,0]=3 291 B10R1.2 CC1=C(C(=CC=C1)C#N)C PI-21940 [1,1,0,0,0,0|1,0,1]=4 292 B10R1.2 CC1=C(C(=CC=C1)C=O)C PI-10267 [1,1,0,0,0,0|1,0,0]=3 293 B10R1.2 CC1=C(C(=CC=C1)CBr)C PI-19918 [1,1,0,0,0,0|1,0,1]=4 294 B10R1.2 CC1=C(C(=CC=C1)NN)C PI-29705 [1,1,0,0,0,0|2,0,0]=4 295 B10R1.2 CC1=C(C(=CC=C1)OC)C PI-33340 [1,1,0,0,0,0|0,0,1]=3 296 B10R1.2 CC1=C(C=CC=C1Cl)OC PI-19448 [1,1,0,0,0,0|0,0,1]=3 297 B10R1.2 CC1=C(C=CC=C1F)C=O PI-28157 [1,1,0,0,0,0|1,0,0]=3 298 B10R1.2 CC1=C(C=CC=C1N)CO PI-44883 [1,1,0,0,0,0|1,0,1]=4 299 B10R1.2 CC1=C(C=CC=C1N)CO PI-44908 [1,1,0,0,0,0|1,0,1]=4 300 B10R1.2 CC1=C(C=CC=C1OC)N PI-19271 [1,1,0,0,0,0|0,0,1]=3 301 B10R1.2 CCC1=CC=CC(=C1N)C PI-34080 [1,1,0,0,0,0|2,0,0]=4 302 B10R1.2 COC1=C(C(=CC=C1)F)Br PI-34352 [1,1,0,0,0,0|1,0,0]=3 303 B10R1.2 COC1=C(C(=CC=C1)F)F PI-28119 [1,1,0,0,0,0|1,0,0]=3 304 B10R1.2 COC1=CC=CC(=C1Cl)N PI-34739 [1,1,0,0,0,0|1,0,0]=3 305 B10R1.2 COc1cccc(O)c1Br PI-34766 [1,1,0,0,0,0|1,0,0]=3 306 B10R1.2 COc1cccc(c1N)O PI-38206 [1,1,0,0,0,0|1,0,0]=3 307 B10R1.2 COc1cccc(c1O)O PI-19986 [1,1,0,0,0,0|1,0,0]=3 308 B10R1.2 CSC1=C(C)C(Cl)=CC=C1 PI-39859 [1,1,0,0,0,0|0,1,1]=4 309 B10R1.2 N#Cc1cccc(c1C)F PI-28230 [1,1,0,0,0,0|1,0,1]=4 310 B10R1.2 N#Cc1cccc(c1O)O PI-31955 [1,1,0,0,0,0|1,0,1]=4 311 B10R1.2 O=CC1=CC=CC(F)=C1Br PI-28928 [1,1,0,0,0,0|2,0,0]=4 312 B10R1.2 O=CC1=CC=CC(F)=C1I PI-28940 [1,1,0,0,0,0|2,0,0]=4 313 B10R1.2 O=Cc1cccc(Br)c1F PI-36808 [1,1,0,0,0,0|2,0,0]=4 314 B10R1.2 O=Cc1cccc(C)c1F PI-28944 [1,1,0,0,0,0|2,0,0]=4 315 B10R1.2 O=Cc1cccc(C)c1O PI-27937 [1,1,0,0,0,0|1,0,0]=3 316 B10R1.2 O=Cc1cccc(Cl)c1Cl PI-12552 [1,1,0,0,0,0|2,0,0]=4 317 B10R1.2 O=Cc1cccc(Cl)c1O PI-26254 [1,1,0,0,0,0|1,0,0]=3 318 B10R1.2 O=Cc1cccc(O)c1O PI-21380 [1,1,0,0,0,0|1,0,0]=3 319 B10R1.2 O=Cc1cccc(c1F)Cl PI-28866 [1,1,0,0,0,0|2,0,0]=4 320 B10R1.4 BrCCc1ccccc1C PI-21423 [1,1,0,0,0,0|0,0,2]=4 321 B10R1.4 BrCCc1ccccc1Cl PI-21413 [1,1,0,0,0,0|2,0,0]=4 322 B10R1.4 BrCCc1ccccc1F PI-34239 [1,1,0,0,0,0|2,0,0]=4 323 B10R1.4 C1=CC=C(C(=C1)C=NN)O PI-27488 [1,1,0,0,0,0|1,0,0]=3 324 B10R1.4 C1=CC=C(C(=C1)C=NO)Br PI-27497 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.4 C1=CC=C(C(=C1)C=NO)Cl PI-23126 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.4 C1=CC=C(C(=C1)CCO)F PI-23810 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.4 C=CCC1=CC=CC=C1O PI-46039 [1,1,0,0,0,0|0,0,0]=2 328 B10R1.4 CC1=CC=CC=C1N=C=O PI-11410 [1,1,0,0,0,0|1,0,1]=4 329 B10R1.4 CCNC1=CC=CC=C1F PI-22091 [1,1,0,0,0,0|2,0,0]=4 330 B10R1.4 CCOC1=CC=CC=C1F PI-23815 [1,1,0,0,0,0|1,0,0]=3 331 B10R1.4 CCOC1=CC=CC=C1N PI-30971 [1,1,0,0,0,0|1,0,0]=3 332 B10R1.4 CCOc1ccncc1N PI-33891 [1,1,0,0,0,0|2,0,0]=4 333 B10R1.4 C[N+]1=CC=CC=C1C=NO PI-17371 [1,1,0,0,0,0|2,0,0]=4 334 B10R1.4 NCCc1ccccc1Br PI-39292 [1,1,0,0,0,0|2,0,0]=4 335 B10R1.4 NCCc1ccccc1Cl PI-20209 [1,1,0,0,0,0|2,0,0]=4 336 B10R1.4 NCCc1ccccc1F PI-38584 [1,1,0,0,0,0|2,0,0]=4 337 B10R1.4 NOCc1ccccc1Cl PI-39246 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.25 C1=CC(=C(C=C1Br)Cl)C=O PI-38898 [1,1,0,0,0,0|2,0,0]=4 339 B10R1.25 C1=CC(=C(C=C1Br)O)C#N PI-43950 [1,1,0,0,0,0|1,0,1]=4 340 B10R1.25 C1=CC(=C(C=C1Cl)F)C=O PI-28681 [1,1,0,0,0,0|2,0,0]=4 341 B10R1.25 C1=CC(=C(C=C1F)Br)C=O PI-10440 [1,1,0,0,0,0|2,0,0]=4 342 B10R1.25 C1=CC(=C(C=C1F)Cl)C=O PI-28857 [1,1,0,0,0,0|2,0,0]=4 343 B10R1.25 C1=CC(=C(C=C1F)N)C=O PI-44252 [1,1,0,0,0,0|2,0,0]=4 344 B10R1.25 C1=CC(=C(C=C1F)O)C=O PI-18485 [1,1,0,0,0,0|1,0,0]=3 345 B10R1.25 C1=CC(=C(C=C1I)Br)C=O PI-26357 [1,1,0,0,0,0|2,0,0]=4 346 B10R1.25 C1=CC(=C(C=C1I)F)C=O PI-28942 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.25 C1=CC(=C(C=C1N)N)C=O PI-44093 [1,1,0,0,0,0|2,0,0]=4 348 B10R1.25 C1=CC(=C(C=C1O)O)CO PI-11751 [1,1,0,0,0,0|1,0,1]=4 349 B10R1.25 CC1=C(C=CC(=C1)Br)C#N PI-22131 [1,1,0,0,0,0|1,0,1]=4 350 B10R1.25 CC1=C(C=CC(=C1)Br)OC PI-21586 [1,1,0,0,0,0|0,0,1]=3 351 B10R1.25 CC1=C(C=CC(=C1)Cl)NN PI-29295 [1,1,0,0,0,0|2,0,0]=4 352 B10R1.25 CC1=C(C=CC(=C1)Cl)OC PI-19447 [1,1,0,0,0,0|0,0,1]=3 353 B10R1.25 CC1=C(C=CC(=C1)F)C#N PI-10521 [1,1,0,0,0,0|1,0,1]=4 354 B10R1.25 CC1=C(C=CC(=C1)F)C=O PI-10459 [1,1,0,0,0,0|1,0,0]=3 355 B10R1.25 CC1=CC(=C(C=C1)C#N)C PI-23422 [1,1,0,0,0,0|1,0,1]=4 356 B10R1.25 CC1=CC(=C(C=C1)C=O)Br PI-26931 [1,1,0,0,0,0|2,0,0]=4 357 B10R1.25 CC1=CC(=C(C=C1)C=O)F PI-31460 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.25 CC1=CC(=C(C=C1)CCl)C PI-23825 [1,1,0,0,0,0|1,0,1]=4 359 B10R1.25 CC1=CC(=C(C=C1)NN)C PI-29747 [1,1,0,0,0,0|2,0,0]=4 360 B10R1.25 CC1=CC(=C(C=C1)OC)Cl PI-19323 [1,1,0,0,0,0|1,0,0]=3 361 B10R1.25 CC1=CC(=C(C=C1)OC)F PI-23730 [1,1,0,0,0,0|1,0,0]=3 362 B10R1.25 CC1=CC(=C(C=C1)OC)I PI-19656 [1,1,0,0,0,0|1,0,0]=3 363 B10R1.25 CC1=CC(=CN=C1C=O)Br PI-41887 [1,1,0,0,0,0|2,0,0]=4 364 B10R1.25 CC1=CC(Br)=CN=C1OC PI-46636 [1,1,0,0,0,0|1,0,1]=4 365 B10R1.25 CC1=CC(I)=CC=C1OC PI-19887 [1,1,0,0,0,0|0,0,1]=3 366 B10R1.25 CC1=CC=C(OC)C(Br)=C1 PI-16425 [1,1,0,0,0,0|1,0,0]=3 367 B10R1.25 CCC1=C(C=C(C=C1)O)O PI-27436 [1,1,0,0,0,0|0,0,2]=4 368 B10R1.25 CNC1=CC=C(F)C=C1F PI-21200 [1,1,0,0,0,0|2,0,0]=4 369 B10R1.25 COC1=C(C=C(C=C1)Cl)F PI-33133 [1,1,0,0,0,0|1,0,0]=3 370 B10R1.25 COC1=C(C=C(C=C1)F)Cl PI-20055 [1,1,0,0,0,0|1,0,0]=3 371 B10R1.25 COC1=C(C=C(C=C1)F)F PI-16982 [1,1,0,0,0,0|1,0,0]=3 372 B10R1.25 COC1=C(C=C(C=C1)F)F PI-34388 [1,1,0,0,0,0|1,0,0]=3 373 B10R1.25 COC1=C(C=C(C=C1)F)N PI-34515 [1,1,0,0,0,0|1,0,0]=3 374 B10R1.25 COC1=C(C=C(C=C1)F)O PI-34264 [1,1,0,0,0,0|1,0,0]=3 375 B10R1.25 COC1=C(C=C(C=C1)N)N PI-17225 [1,1,0,0,0,0|1,0,0]=3 376 B10R1.25 COC1=C(C=C(C=N1)Br)I PI-26761 [1,1,0,0,0,0|2,0,0]=4 377 B10R1.25 COC1=C(O)C=C(N)C=C1 PI-27246 [1,1,0,0,0,0|1,0,0]=3 378 B10R1.25 COC1=NC=C(C=C1N)Br PI-44976 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.25 COc1ccc(F)cc1S PI-23728 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.25 COc1ccc(S)cc1F PI-23727 [1,1,0,0,0,0|1,0,0]=3 381 B10R1.25 COc1ccc(cc1Br)Cl PI-20603 [1,1,0,0,0,0|1,0,0]=3 382 B10R1.25 COc1ccc(cc1Br)F PI-28540 [1,1,0,0,0,0|1,0,0]=3 383 B10R1.25 COc1ccc(cc1Cl)N PI-38593 [1,1,0,0,0,0|1,0,0]=3 384 B10R1.25 COc1ccc(cc1F)Br PI-16907 [1,1,0,0,0,0|1,0,0]=3 385 B10R1.25 COc1ccc(cc1F)N PI-28446 [1,1,0,0,0,0|1,0,0]=3 386 B10R1.25 COc1ccc(cc1F)O PI-34292 [1,1,0,0,0,0|1,0,0]=3 387 B10R1.25 COc1ncc(cc1Br)F PI-39398 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.25 CSc1ccc(cc1C)O PI-18452 [1,1,0,0,0,0|0,1,1]=4 389 B10R1.25 ClC1=CC(=C(C=O)C=C1)O PI-26343 [1,1,0,0,0,0|1,0,0]=3 390 B10R1.25 FC1=C(C=O)C=CC(=C1)O PI-28419 [1,1,0,0,0,0|2,0,0]=4 391 B10R1.25 N#Cc1ccc(O)cc1O PI-11750 [1,1,0,0,0,0|1,0,1]=4 392 B10R1.25 NC1=C(C=O)C=CC(=C1)Br PI-41093 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.25 NCc1ccc(cc1C)C PI-27988 [1,1,0,0,0,0|1,0,1]=4 394 B10R1.25 O=CC1=CC=C(F)C=C1F PI-16892 [1,1,0,0,0,0|2,0,0]=4 395 B10R1.25 O=Cc1ccc(Br)cc1F PI-31236 [1,1,0,0,0,0|2,0,0]=4 396 B10R1.25 O=Cc1ccc(C)cc1O PI-20805 [1,1,0,0,0,0|1,0,0]=3 397 B10R1.25 O=Cc1ccc(O)cc1Cl PI-10303 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.25 O=Cc1ccc(O)cc1O PI-11749 [1,1,0,0,0,0|1,0,0]=3 399 B10R1.25 O=Cc1ccc(cc1Br)Cl PI-36966 [1,1,0,0,0,0|2,0,0]=4 400 B10R1.25 O=Cc1ccc(cc1C)C PI-27218 [1,1,0,0,0,0|1,0,0]=3 401 B10R1.25 O=Cc1ccc(cc1C)Cl PI-27562 [1,1,0,0,0,0|1,0,0]=3 402 B10R1.25 O=Cc1ccc(cc1O)Br PI-26320 [1,1,0,0,0,0|1,0,0]=3 403 B10R1.25 OC1=CC(=C(C=O)C=C1)C PI-18542 [1,1,0,0,0,0|1,0,0]=3 404 B10R1.25 OCc1ccc(cc1C)C PI-38556 [1,1,0,0,0,0|1,0,1]=4 405 B10R1.25 [C-]#[N+]c1ccc(F)cc1C PI-23767 [1,1,0,0,0,0|1,0,1]=4 406 B10R1.30 BrC1=C(C=C(C=C1)Cl)OC PI-41885 [1,1,0,0,0,0|1,0,0]=3 407 B10R1.30 C1=C(Br)C=CC(=C1CO)O PI-12023 [1,1,0,0,0,0|1,0,1]=4 408 B10R1.30 C1=CC(=C(C=C1Br)C=O)Br PI-27892 [1,1,0,0,0,0|2,0,0]=4 409 B10R1.30 C1=CC(=C(C=C1Br)C=O)Cl PI-33366 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.30 C1=CC(=C(C=C1Br)C=O)F PI-31330 [1,1,0,0,0,0|2,0,0]=4 411 B10R1.30 C1=CC(=C(C=C1Br)C=O)O PI-29253 [1,1,0,0,0,0|1,0,0]=3 412 B10R1.30 C1=CC(=C(C=C1Cl)C#N)O PI-44911 [1,1,0,0,0,0|1,0,1]=4 413 B10R1.30 C1=CC(=C(C=C1Cl)C=O)Cl PI-16092 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.30 C1=CC(=C(C=C1Cl)C=O)F PI-10455 [1,1,0,0,0,0|2,0,0]=4 415 B10R1.30 C1=CC(=C(C=C1Cl)C=O)O PI-12029 [1,1,0,0,0,0|1,0,0]=3 416 B10R1.30 C1=CC(=C(C=C1Cl)CO)O PI-12028 [1,1,0,0,0,0|1,0,1]=4 417 B10R1.30 C1=CC(=C(C=C1F)C=O)Br PI-28896 [1,1,0,0,0,0|2,0,0]=4 418 B10R1.30 C1=CC(=C(C=C1F)C=O)Cl PI-10456 [1,1,0,0,0,0|2,0,0]=4 419 B10R1.30 C1=CC(=C(C=C1F)C=O)N PI-44253 [1,1,0,0,0,0|2,0,0]=4 420 B10R1.30 C1=CC(=C(C=C1F)C=O)O PI-10579 [1,1,0,0,0,0|1,0,0]=3 421 B10R1.30 C1=CC(=C(C=C1I)C=O)F PI-31572 [1,1,0,0,0,0|2,0,0]=4 422 B10R1.30 C1=CC(=C(C=C1I)C=O)O PI-27272 [1,1,0,0,0,0|1,0,0]=3 423 B10R1.30 CC1=C(C=C(C=C1)Cl)OC PI-10564 [1,1,0,0,0,0|0,0,1]=3 424 B10R1.30 CC1=C(C=C(C=C1)F)C#N PI-28817 [1,1,0,0,0,0|1,0,1]=4 425 B10R1.30 CC1=C(C=C(C=C1)F)C=O PI-10582 [1,1,0,0,0,0|1,0,0]=3 426 B10R1.30 CC1=C(C=C(C=C1)F)CBr PI-23755 [1,1,0,0,0,0|1,0,1]=4 427 B10R1.30 CC1=C(C=C(C=C1)F)NN PI-10636 [1,1,0,0,0,0|2,0,0]=4 428 B10R1.30 CC1=CC(=C(C=C1)C)C#C PI-19877 [1,1,0,0,0,0|0,0,2]=4 429 B10R1.30 CC1=CC(=C(C=C1)C)C#N PI-23423 [1,1,0,0,0,0|1,0,1]=4 430 B10R1.30 CC1=CC(=C(C=C1)C)C=O PI-27729 [1,1,0,0,0,0|1,0,0]=3 431 B10R1.30 CC1=CC(=C(C=C1)C)NN PI-29706 [1,1,0,0,0,0|2,0,0]=4 432 B10R1.30 CC1=CC(=C(C=C1)F)C=O PI-10457 [1,1,0,0,0,0|2,0,0]=4 433 B10R1.30 CC1=NC(=C(C=C1)F)OC PI-34436 [1,1,0,0,0,0|2,0,0]=4 434 B10R1.30 CCC1=C(C=CC(=C1)O)O PI-19340 [1,1,0,0,0,0|0,0,2]=4 435 B10R1.30 CCc1cc(Br)ccc1I PI-21420 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.30 CNC1=C(C=CC(=C1)F)Br PI-39646 [1,1,0,0,0,0|2,0,0]=4 437 B10R1.30 COC1=C(C=CC(=C1)Br)N PI-44941 [1,1,0,0,0,0|1,0,0]=3 438 B10R1.30 COC1=C(C=CC(=C1)Cl)Cl PI-21000 [1,1,0,0,0,0|1,0,0]=3 439 B10R1.30 COC1=C(C=CC(=C1)Cl)N PI-11332 [1,1,0,0,0,0|1,0,0]=3 440 B10R1.30 COC1=C(C=CC(=C1)F)Br PI-21434 [1,1,0,0,0,0|1,0,0]=3 441 B10R1.30 COC1=C(C=CC(=C1)F)F PI-12727 [1,1,0,0,0,0|1,0,0]=3 442 B10R1.30 COC1=C(C=CC(=C1)N)Br PI-33359 [1,1,0,0,0,0|1,0,0]=3 443 B10R1.30 COC1=C(C=CC(=C1)N)Cl PI-34236 [1,1,0,0,0,0|1,0,0]=3 444 B10R1.30 COC1=C(C=CC(=C1)N)F PI-10622 [1,1,0,0,0,0|1,0,0]=3 445 B10R1.30 COC1=C(N=CC(=C1)Br)N PI-34882 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.30 COC1=C(O)C=CC(F)=C1 PI-27601 [1,1,0,0,0,0|1,0,0]=3 447 B10R1.30 COC1=CC(=CN=C1F)Br PI-43260 [1,1,0,0,0,0|2,0,0]=4 448 B10R1.30 COC1=CC(Br)=CN=C1Cl PI-41978 [1,1,0,0,0,0|2,0,0]=4 449 B10R1.30 COc1cc(Br)ccc1Cl PI-14389 [1,1,0,0,0,0|1,0,0]=3 450 B10R1.30 COc1cc(Br)ccc1F PI-34341 [1,1,0,0,0,0|1,0,0]=3 451 B10R1.30 FC1=CC(=C(N)C=C1)OC PI-39749 [1,1,0,0,0,0|1,0,0]=3 452 B10R1.30 N#Cc1cc(Br)ccc1O PI-21509 [1,1,0,0,0,0|1,0,1]=4 453 B10R1.30 NNC1=CC(Br)=CC=C1C PI-39726 [1,1,0,0,0,0|2,0,0]=4 454 B10R1.30 O=CC1=CC(Br)=CC=C1N PI-46730 [1,1,0,0,0,0|2,0,0]=4 455 B10R1.30 O=Cc1cc(Br)ccc1I PI-26850 [1,1,0,0,0,0|2,0,0]=4 456 B10R1.30 O=Cc1cc(C)ccc1O PI-10857 [1,1,0,0,0,0|1,0,0]=3 457 B10R1.30 O=Cc1cc(Cl)ccc1Br PI-33350 [1,1,0,0,0,0|2,0,0]=4 458 B10R1.30 O=Cc1cc(Cl)ccc1N PI-18302 [1,1,0,0,0,0|2,0,0]=4 459 B10R1.30 O=Cc1cc(F)ccc1F PI-10418 [1,1,0,0,0,0|2,0,0]=4 460 B10R1.30 O=Cc1cc(O)ccc1Br PI-27441 [1,1,0,0,0,0|2,0,0]=4 461 B10R1.30 O=Cc1cc(O)ccc1O PI-18118 [1,1,0,0,0,0|1,0,0]=3 462 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Br PI-20527 [1,1,0,0,0,0|2,0,0]=4 463 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Cl PI-23128 [1,1,0,0,0,0|2,0,0]=4 464 B10R1.61 C1=CC=C(C(=C1)C(=O)N)F PI-27598 [1,1,0,0,0,0|2,0,0]=4 465 B10R1.61 C1=CC=C(C(=C1)C(=O)O)I PI-18960 [1,1,0,0,0,0|2,0,0]=4 466 B10R1.61 C1=CC=C(C(=C1)C(=O)O)S PI-40146 [1,1,0,0,0,0|1,1,0]=4 467 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])F PI-28576 [1,1,0,0,0,0|2,0,0]=4 468 B10R1.61 C1=CC=C(C(=C1)C(=S)N)N PI-17294 [1,1,0,0,0,0|2,0,0]=4 469 B10R1.61 CC(=O)C1=CC=CC=C1Br PI-12211 [1,1,0,0,0,0|1,0,1]=4 470 B10R1.61 CC(=O)C1=CC=CC=C1Cl PI-11622 [1,1,0,0,0,0|1,0,1]=4 471 B10R1.61 CC(=O)C1=CC=CC=C1F PI-16975 [1,1,0,0,0,0|1,0,1]=4 472 B10R1.61 CC(=O)C1=CC=CC=C1N PI-29399 [1,1,0,0,0,0|1,0,1]=4 473 B10R1.61 CC(=O)c1ccccc1I PI-29345 [1,1,0,0,0,0|1,0,1]=4 474 B10R1.61 CC(=O)c1ccccc1N PI-11796 [1,1,0,0,0,0|1,0,1]=4 475 B10R1.61 CC(C)c1ccccc1S PI-17353 [1,1,0,0,0,0|2,0,0]=4 476 B10R1.61 CC(C1=CC=CC=C1Cl)O PI-32584 [1,1,0,0,0,0|2,0,0]=4 477 B10R1.61 CC(C1=CC=CC=C1F)O PI-32582 [1,1,0,0,0,0|2,0,0]=4 478 B10R1.61 CC(O)C1=CC=CC=C1N PI-46775 [1,1,0,0,0,0|2,0,0]=4 479 B10R1.61 CC(c1ccccc1Br)C PI-21543 [1,1,0,0,0,0|2,0,0]=4 480 B10R1.61 CC1=C(C=CN=C1)C(=O)O PI-48282 [1,1,0,0,0,0|2,0,0]=4 481 B10R1.61 CC1=C(C=NC=C1)C(=O)O PI-48296 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.61 CC1=CC=CC=C1C(=O)C PI-12963 [1,1,0,0,0,0|0,0,1]=3 483 B10R1.61 CC1=CC=CC=C1C(=O)Cl PI-34221 [1,1,0,0,0,0|1,0,0]=3 484 B10R1.61 C[C@@H](C1=CC=CC=C1Br)O PI-50016 [1,1,0,0,0,0|2,0,0]=4 485 B10R1.61 C[C@@H](C1=CC=CC=C1F)O PI-50014 [1,1,0,0,0,0|2,0,0]=4 486 B10R1.61 C[C@H](C1=CC=CC=C1Br)O PI-50015 [1,1,0,0,0,0|2,0,0]=4 487 B10R1.61 C[C@H](C1=CC=CC=C1F)O PI-50013 [1,1,0,0,0,0|2,0,0]=4 488 B10R1.61 ClC(=O)c1ccccc1F PI-11847 [1,1,0,0,0,0|2,0,0]=4 489 B10R1.61 NC(=S)c1ccccc1Br PI-22612 [1,1,0,0,0,0|2,0,0]=4 490 B10R1.61 NC(C1=CC=CC=C1O)=S PI-20875 [1,1,0,0,0,0|1,0,0]=3 491 B10R1.61 OB(c1ccccc1C)O PI-10305 [1,1,0,0,0,0|2,0,0]=4 492 B10R1.61 OB(c1ccccc1O)O PI-37992 [1,1,0,0,0,0|2,0,0]=4 493 B10R1.61 OC(=O)c1ccccc1F PI-16976 [1,1,0,0,0,0|2,0,0]=4 494 B10R1.61 OC(=O)c1cccnc1O PI-16700 [1,1,0,0,0,0|2,0,0]=4 495 B10R1.61 OC(=O)c1ccncc1O PI-28020 [1,1,0,0,0,0|2,0,0]=4 496 B10R1.61 OC(=O)c1ncccc1O PI-16553 [1,1,0,0,0,0|2,0,0]=4 497 B10R1.245 C1=CC(=C(C(=C1)Br)C=O)Cl PI-35930 [1,1,0,0,0,0|2,0,0]=4 498 B10R1.245 C1=CC(=C(C(=C1)Br)C=O)N PI-40830 [1,1,0,0,0,0|2,0,0]=4 499 B10R1.245 C1=CC(=C(C(=C1)F)C#N)O PI-10696 [1,1,0,0,0,0|1,0,1]=4 500 B10R1.245 C1=CC(=C(C(=C1)I)C=O)F PI-10580 [1,1,0,0,0,0|2,0,0]=4 501 B10R1.245 CC1=C(C(=CC=C1)C)C#N PI-29833 [1,1,0,0,0,0|1,0,1]=4 502 B10R1.245 CC1=C(C(=CC=C1)C)C=O PI-27082 [1,1,0,0,0,0|1,0,0]=3 503 B10R1.245 CC1=C(C(=CC=C1)C)CO PI-19775 [1,1,0,0,0,0|1,0,1]=4 504 B10R1.245 CC1=C(C(=CC=C1)C)NN PI-50511 [1,1,0,0,0,0|2,0,0]=4 505 B10R1.245 CC1=C(C(=O)C=CN1)OC PI-40244 [1,1,0,0,0,0|1,0,1]=4 506 B10R1.245 CC1=CC=CC(Cl)=C1C=O PI-27105 [1,1,0,0,0,0|1,0,0]=3 507 B10R1.245 COC1=C(C=CC=C1Br)F PI-10731 [1,1,0,0,0,0|1,0,0]=3 508 B10R1.245 COC1=C(C=CC=C1I)F PI-10732 [1,1,0,0,0,0|1,0,0]=3 509 B10R1.245 COC1=C(C=CC=C1O)O PI-19401 [1,1,0,0,0,0|1,0,0]=3 510 B10R1.245 COC1=C(Cl)C=CC=C1Cl PI-42640 [1,1,0,0,0,0|1,0,0]=3 511 B10R1.245 COc1c(Br)cccc1Br PI-36881 [1,1,0,0,0,0|1,0,0]=3 512 B10R1.245 COc1c(F)cccc1F PI-28529 [1,1,0,0,0,0|1,0,0]=3 513 B10R1.245 COc1c(N)cccc1F PI-34516 [1,1,0,0,0,0|1,0,0]=3 514 B10R1.245 COc1c(O)ccnc1C PI-38274 [1,1,0,0,0,0|1,0,1]=4 515 B10R1.245 ClCc1c(C)cccc1C PI-23826 [1,1,0,0,0,0|1,0,1]=4 516 B10R1.245 N#Cc1c(C)cccc1F PI-34464 [1,1,0,0,0,0|1,0,1]=4 517 B10R1.245 N#Cc1c(C)cccc1N PI-30717 [1,1,0,0,0,0|1,0,1]=4 518 B10R1.245 NCc1c(C)cccc1C PI-39516 [1,1,0,0,0,0|1,0,1]=4 519 B10R1.245 O=CC1=C(O)C=CC=C1Br PI-37162 [1,1,0,0,0,0|1,0,0]=3 520 B10R1.245 O=Cc1c(Br)cccc1Br PI-35931 [1,1,0,0,0,0|2,0,0]=4 521 B10R1.245 O=Cc1c(Cl)cccc1Cl PI-31780 [1,1,0,0,0,0|2,0,0]=4 522 B10R1.245 O=Cc1c(F)cccc1Br PI-28929 [1,1,0,0,0,0|2,0,0]=4 523 B10R1.245 O=Cc1c(F)cccc1Cl PI-16953 [1,1,0,0,0,0|2,0,0]=4 524 B10R1.245 O=Cc1c(F)cccc1F PI-28528 [1,1,0,0,0,0|2,0,0]=4 525 B10R1.245 O=Cc1c(O)cccc1Cl PI-27285 [1,1,0,0,0,0|1,0,0]=3 526 B10R1.245 O=Cc1c(O)cccc1F PI-27539 [1,1,0,0,0,0|1,0,0]=3 527 B10R1.245 O=Cc1c(O)cccc1O PI-39426 [1,1,0,0,0,0|1,0,0]=3 528 B10R1.39 COC1=CSC=C1C(=O)N PI-29830 [0,1,0,0,1,0|2,0,0]=4 529 B10R1.39 COC1=CSC=C1C(=O)O PI-29870 [0,1,0,0,1,0|2,0,0]=4 530 B12R1.46 B(C1=C(C=CC(=C1)C)OC)(O)O PI-27127 [0,2,0,0,0,0|2,0,0]=4 531 B12R1.46 B(C1=C(C=CC(=C1)Cl)OC)(O)O PI-25962 [0,2,0,0,0,0|2,0,0]=4 532 B12R1.46 B(C1=C(C=CC(=C1)F)OC)(O)O PI-25265 [0,2,0,0,0,0|2,0,0]=4 533 B12R1.46 CC(=O)C1=C(C=CC(=C1)Cl)OC PI-30816 [0,2,0,0,0,0|0,0,1]=3 534 B12R1.46 CC(=O)C1=C(C=CC(=C1)F)OC PI-30626 [0,2,0,0,0,0|0,0,1]=3 535 B12R1.46 CC1=CC(=C(C=C1)OC)C(=O)O PI-31512 [0,2,0,0,0,0|1,0,0]=3 536 B12R1.46 CC1=CC(=C(C=C1)OC)[N+](=O)[O-] PI-26076 [0,2,0,0,0,0|2,0,0]=4 537 B12R1.46 COC1=C(C=C(C=C1)Br)[N+](=O)[O-] PI-22192 [0,2,0,0,0,0|2,0,0]=4 538 B12R1.46 COC1=C(C=C(C=C1)Cl)C(=O)Cl PI-12024 [0,2,0,0,0,0|1,0,0]=3 539 B12R1.46 COC1=C(C=C(C=C1)Cl)[N+](=O)[O-] PI-29964 [0,2,0,0,0,0|2,0,0]=4 540 B12R1.46 COC1=C(C=C(C=C1)F)[N+](=O)[O-] PI-10733 [0,2,0,0,0,0|2,0,0]=4 541 B12R1.46 COC1=C(C=C(C=C1)I)[N+](=O)[O-] PI-29658 [0,2,0,0,0,0|2,0,0]=4 542 B12R1.46 COC1=C(C=C(C=C1)N)[N+](=O)[O-] PI-26760 [0,2,0,0,0,0|2,0,0]=4 543 B12R1.46 COC1=C(C=C(C=N1)Br)C(=O)O PI-26734 [0,2,0,0,0,0|2,0,0]=4 544 B12R1.46 COc1ccc(Br)cc1C(=O)C PI-21551 [0,2,0,0,0,0|0,0,1]=3 545 B12R1.46 COc1ccc(Cl)cc1C(=O)O PI-33462 [0,2,0,0,0,0|1,0,0]=3 546 B12R1.46 OB(C1=CC(Br)=CC=C1OC)O PI-25961 [0,2,0,0,0,0|2,0,0]=4 547 B12R1.57 CC(=O)C1=C(C=C(C=C1)F)OC PI-27655 [0,2,0,0,0,0|0,0,1]=3 548 B12R1.57 COC1=C(C=CC(=C1)O)[N+](=O)[O-] PI-43287 [0,2,0,0,0,0|2,0,0]=4 549 B12R1.57 COc1cc(C)ccc1C(=O)O PI-36551 [0,2,0,0,0,0|1,0,0]=3 550 B12R1.57 COc1cc(C)ccc1[N+](=O)[O-] PI-29537 [0,2,0,0,0,0|2,0,0]=4 551 B12R1.57 COc1cc(Cl)ccc1B(O)O PI-25827 [0,2,0,0,0,0|2,0,0]=4 552 B12R1.57 COc1cc(Cl)ccc1C(=O)O PI-28661 [0,2,0,0,0,0|1,0,0]=3 553 B12R1.57 COc1cc(Cl)ccc1[N+](=O)[O-] PI-29835 [0,2,0,0,0,0|2,0,0]=4 554 B12R1.57 COc1cc(F)ccc1B(O)O PI-25266 [0,2,0,0,0,0|2,0,0]=4 555 B12R1.57 COc1cc(F)ccc1[N+](=O)[O-] PI-34510 [0,2,0,0,0,0|2,0,0]=4 556 B12R1.78 C1=C(C(=CC=C1OC)OC)OC PI-15328 [0,2,0,0,0,0|1,0,1]=4 557 B12R1.78 COC1=C(C=C(C=C1)C#N)OC PI-34357 [0,2,0,0,0,0|1,0,1]=4 558 B12R1.78 COC1=C(C=C(C=C1)C=C)OC PI-46940 [0,2,0,0,0,0|1,0,1]=4 559 B12R1.78 COC1=C(C=C(C=C1)CN)OC PI-21287 [0,2,0,0,0,0|1,0,1]=4 560 B12R1.78 COC1=C(C=CC(=C1)C#N)C=O PI-26308 [0,2,0,0,0,0|1,0,0]=3 561 B12R1.78 COC1=CC(=C(C=C1)C#N)OC PI-29583 [0,2,0,0,0,0|1,0,1]=4 562 B12R1.78 COC1=CC(=C(C=C1)OC)CCl PI-23197 [0,2,0,0,0,0|1,0,1]=4 563 B12R1.78 COc1cc(C#C)ccc1OC PI-30615 [0,2,0,0,0,0|1,0,1]=4 564 B12R1.78 COc1cc(CCl)ccc1OC PI-32020 [0,2,0,0,0,0|1,0,1]=4 565 B12R1.78 COc1cc(OC)ccc1C=O PI-10207 [0,2,0,0,0,0|1,0,0]=3 566 B12R1.78 COc1cc(OC)ccc1CO PI-29889 [0,2,0,0,0,0|1,0,1]=4 567 B12R1.78 COc1cc(SC)ccc1OC PI-23352 [0,2,0,0,0,0|1,0,1]=4 568 B12R1.78 COc1cc([N+]#[C-])ccc1OC PI-23292 [0,2,0,0,0,0|1,0,1]=4 569 B12R1.78 COc1ccc(OC)c([N+]#[C-])c1 PI-23291 [0,2,0,0,0,0|1,0,1]=4 570 B12R1.112 CCOC1=C(C=C(C=C1)Br)C=O PI-21406 [0,2,0,0,0,0|1,0,0]=3 571 B12R1.234 COC1=C(C=C(C=C1Br)Br)C=O PI-27796 [0,2,0,0,0,0|1,0,0]=3 572 B12R1.268 COC1=C(C=C(C=C1)Br)CCN PI-21559 [0,2,0,0,0,0|0,0,2]=4 573 B12R1.268 COC1=C(C=C(C=C1)Cl)N=C=O PI-20144 [0,2,0,0,0,0|1,0,1]=4 574 B12R1.268 COC1=C(C=C(C=C1)Cl)N=C=S PI-19794 [0,2,0,0,0,0|1,0,1]=4 575 B12R1.448 CC1=CC(=C(C=C1N)OC)OC PI-23246 [0,2,0,0,0,0|1,0,1]=4 576 B12R1.448 COC1=C(C=C(C(=C1)N)N)OC PI-17531 [0,2,0,0,0,0|1,0,1]=4 577 B12R1.448 COC1=C(C=C(C(=C1)N)N)OC PI-49018 [0,2,0,0,0,0|1,0,1]=4 578 B12R1.448 COC1=CC(=C(C=C1C=O)F)F PI-26141 [0,2,0,0,0,0|1,0,0]=3 579 B12R1.652 COC1=C(C(=C(C=C1)F)F)C=O PI-21178 [0,2,0,0,0,0|1,0,0]=3 580 B12R1.75 C1=CC=C(C(=C1)C#N)OC(F)F PI-21184 [0,2,0,0,0,0|1,0,1]=4 581 B12R1.75 C1=CC=C(C(=C1)C=O)OC(F)F PI-21177 [0,2,0,0,0,0|1,0,0]=3 582 B12R1.75 C1=CC=C(C(=C1)CBr)OC(F)F PI-21189 [0,2,0,0,0,0|1,0,1]=4 583 B12R1.75 CC(=O)CC1=CC=CC=C1OC PI-12199 [0,2,0,0,0,0|0,0,1]=3 584 B12R1.75 CC(=O)OC1=CC=CC=C1OC PI-26163 [0,2,0,0,0,0|0,0,1]=3 585 B12R1.75 CC(=O)OC1=CC=CC=C1OC PI-41862 [0,2,0,0,0,0|0,0,1]=3 586 B12R1.75 CC(N)CC1=CC=CC=C1OC PI-46622 [0,2,0,0,0,0|0,0,2]=4 587 B12R1.75 CCC1=CC=CC=C1OC(=O)C PI-26541 [0,2,0,0,0,0|0,0,2]=4 588 B12R1.75 COc1ccccc1CC(=O)O PI-37988 [0,2,0,0,0,0|0,0,1]=3 589 B12R1.77 BrCC(=O)c1ccccc1OC PI-21566 [0,2,0,0,0,0|0,0,1]=3 590 B12R1.77 CNC1=CC=CC=C1C(=O)OC PI-50463 [0,2,0,0,0,0|1,0,1]=4 591 B12R1.77 COC(=O)C1=CC=CC=C1C#C PI-46520 [0,2,0,0,0,0|0,0,2]=4 592 B12R1.77 COC(=O)C1=CC=CC=C1C#N PI-50472 [0,2,0,0,0,0|1,0,1]=4 593 B12R1.77 COC(=O)C1=CC=CC=C1C=O PI-27575 [0,2,0,0,0,0|1,0,0]=3 594 B12R1.77 COC(=O)C1=CC=CC=C1CCl PI-46951 [0,2,0,0,0,0|1,0,1]=4 595 B12R1.77 COC(=O)c1ccccc1CBr PI-15370 [0,2,0,0,0,0|1,0,1]=4 596 B12R1.77 COC(=O)c1ccccc1CN PI-23083 [0,2,0,0,0,0|1,0,1]=4 597 B12R1.77 COC(=O)c1ccccc1CO PI-36343 [0,2,0,0,0,0|1,0,1]=4 598 B12R1.77 COC1=CC=CC=C1C(=O)CO PI-30335 [0,2,0,0,0,0|0,0,1]=3 599 B12R1.77 COC1=CC=CC=C1C(=O)NN PI-29896 [0,2,0,0,0,0|1,0,0]=3 600 B12R1.77 COC1=CC=CC=C1C(=O)OC PI-50275 [0,2,0,0,0,0|0,0,1]=3 601 B12R1.77 N#CC(N)c1ccccc1OC PI-36098 [0,2,0,0,0,0|0,0,2]=4 602 B12R1.121 BrCCOc1ccccc1CC PI-13475 [0,2,0,0,0,0|0,0,2]=4 603 B12R1.121 C#CCOc1ccccc1C=O PI-27448 [0,2,0,0,0,0|1,0,0]=3 604 B12R1.121 C1=CC=C(C(=C1)C=O)OCCO PI-27349 [0,2,0,0,0,0|1,0,0]=3 605 B12R1.121 C=CCOC1=CC=CC=C1C=O PI-27430 [0,2,0,0,0,0|1,0,0]=3 606 B12R1.121 COC1=CC=CC=C1OCCN PI-16392 [0,2,0,0,0,0|0,0,2]=4 607 B12R1.121 NCCOc1ccccc1OC PI-16391 [0,2,0,0,0,0|0,0,2]=4 608 B12R1.169 CCOC1=CC=CC=C1N=C=O PI-22035 [0,2,0,0,0,0|1,0,1]=4 609 B12R1.169 CCOC1=CC=CC=C1N=C=S PI-22036 [0,2,0,0,0,0|1,0,1]=4 610 B12R1.283 B(C1=CC=CC=C1COC)(O)O PI-25099 [0,2,0,0,0,0|2,0,0]=4 611 B12R1.283 B(C1=CC=CC=C1OCC)(O)O PI-25335 [0,2,0,0,0,0|2,0,0]=4 612 B12R1.283 CCOC1=CC=CC=C1C(=O)C PI-22025 [0,2,0,0,0,0|0,0,1]=3 613 B12R1.283 CCOC1=CC=CC=C1C(=O)Cl PI-31759 [0,2,0,0,0,0|1,0,0]=3 614 B12R1.283 CCOC1=CC=CC=C1C(=O)O PI-11840 [0,2,0,0,0,0|1,0,0]=3 615 B12R1.1112 C=CCC1=C(C=CC=C1O)C=O PI-27924 [0,2,0,0,0,0|2,0,0]=4 616 B12R1.76 O=S(C1=CC=CC=C1OC)(Cl)=O PI-40965 [0,2,0,0,0,0|2,0,0]=4 617 B12R1.87 COC1=C(C=CC=C1Br)[N+](=O)[O-] PI-39798 [0,2,0,0,0,0|2,0,0]=4 618 B12R1.87 COC1=C(C=CC=C1F)[N+](=O)[O-] PI-29621 [0,2,0,0,0,0|2,0,0]=4 619 B12R1.87 COC1=C(C=CC=C1I)C(=O)O PI-48048 [0,2,0,0,0,0|1,0,0]=3 620 B12R1.87 COC1=C(C=CN=C1C(=O)O)Cl PI-34876 [0,2,0,0,0,0|2,0,0]=4 621 B12R1.261 CC(=O)C1=CC=CC=C1C(=O)C PI-29862 [0,2,0,0,0,0|1,0,1]=4 622 B12R1.261 CC(=O)C1=CC=CC=C1C(=O)O PI-29712 [0,2,0,0,0,0|2,0,0]=4 623 B12R1.261 OC(=O)c1ccccc1N(C)C PI-29754 [0,2,0,0,0,0|2,0,0]=4 624 B12R1.437 B(C1=C(C=CC=C1Cl)OC)(O)O PI-49865 [0,2,0,0,0,0|2,0,0]=4 625 B12R1.437 B(C1=C(C=CC=C1F)OC)(O)O PI-25839 [0,2,0,0,0,0|2,0,0]=4 626 B12R1.437 CC1=C(C(=CC=C1)OC)[N+](=O)[O-] PI-10565 [0,2,0,0,0,0|2,0,0]=4 627 B12R1.437 COC1=C(C(=CC=C1)F)C(=O)O PI-18169 [0,2,0,0,0,0|1,0,0]=3 628 B12R1.437 COc1cccc(C)c1C(=O)O PI-35807 [0,2,0,0,0,0|1,0,0]=3 629 B12R1.437 COc1cccc(O)c1C(=O)C PI-29860 [0,2,0,0,0,0|0,0,1]=3 630 B12R1.437 COc1cccc(O)c1C(=O)O PI-27469 [0,2,0,0,0,0|1,0,0]=3 631 B12R1.741 COC1=C(OC)C(=O)C=CC1=O PI-23193 [0,2,0,0,0,0|1,0,1]=4 632 B12R1.1879 COC1=CC=CC(=C1OC)C#N PI-23192 [0,2,0,0,0,0|1,0,1]=4 633 B12R1.1879 COC1=CC=CC(=C1OC)C=O PI-11730 [0,2,0,0,0,0|1,0,0]=3 634 B12R1.1879 COc1c(OC)cccc1OC PI-33041 [0,2,0,0,0,0|1,0,1]=4 635 B12R1.1879 N#Cc1c(OC)cccc1OC PI-21286 [0,2,0,0,0,0|1,0,1]=4 636 B12R1.1879 NCC1=CC=CC(OC)=C1OC PI-30009 [0,2,0,0,0,0|1,0,1]=4 637 B12R1.1879 O=Cc1c(OC)cccc1OC PI-15326 [0,2,0,0,0,0|1,0,0]=3 638 B10R1.15 CNC(=O)c1ccccc1 PI-29765 [0,0,1,1,0,0|2,0,0]=4 639 B10R1.15 COC(=N)C1=CC=CC=C1 PI-19741 [0,0,1,1,0,0|1,0,0]=3 640 B10R1.15 COC(=N)C1=CC=CC=N1 PI-46993 [0,0,1,1,0,0|2,0,0]=4 641 B10R1.15 COC(=O)C1=CN=CC=C1 PI-33274 [0,0,1,1,0,0|2,0,0]=4 642 B10R1.15 COC(=O)c1ccccn1 PI-33273 [0,0,1,1,0,0|2,0,0]=4 643 B10R1.172 C=Cc1cccc(c1)C=O PI-27316 [0,0,1,1,0,0|2,0,0]=4 644 B10R1.172 COC1=CC(=CC=C1)OC PI-35273 [0,0,1,1,0,0|1,0,1]=4 645 B10R1.172 COC1=CC=CC(=C1)C#N PI-31072 [0,0,1,1,0,0|1,0,1]=4 646 B10R1.172 COC1=CC=CC(=C1)CBr PI-49400 [0,0,1,1,0,0|1,0,1]=4 647 B10R1.172 COC1=CC=CC(=C1)CN PI-31714 [0,0,1,1,0,0|1,0,1]=4 648 B10R1.172 COC1=CC=CC(=C1)NN PI-29546 [0,0,1,1,0,0|2,0,0]=4 649 B10R1.172 COc1cccc(c1)C=O PI-32570 [0,0,1,1,0,0|1,0,0]=3 650 B10R1.172 COc1cccc(n1)C=O PI-26723 [0,0,1,1,0,0|2,0,0]=4 651 B10R1.172 ClCc1cccc(c1)OC PI-32021 [0,0,1,1,0,0|1,0,1]=4 652 B10R1.172 O=CC1=CC(OC)=CN=C1 PI-37016 [0,0,1,1,0,0|2,0,0]=4 653 B10R1.172 OCc1cccc(c1)OC PI-31272 [0,0,1,1,0,0|1,0,1]=4 654 B10R1.176 CC1=C(C=C(C=C1)OC)Cl PI-10076 [0,0,1,1,0,0|1,0,1]=4 655 B10R1.176 CC1=C(C=C(C=C1)OC)F PI-28510 [0,0,1,1,0,0|1,0,1]=4 656 B10R1.176 CC1=C(C=CC(=C1)OC)Br PI-31134 [0,0,1,1,0,0|1,0,1]=4 657 B10R1.176 CC1=C(C=CC(=C1)OC)Cl PI-19110 [0,0,1,1,0,0|1,0,1]=4 658 B10R1.176 CC1=C(C=CC(=C1)OC)F PI-28300 [0,0,1,1,0,0|1,0,1]=4 659 B10R1.176 CC1=C(C=CC(=C1)OC)N PI-11298 [0,0,1,1,0,0|1,0,1]=4 660 B10R1.176 COC1=CC(=C(C=C1)Br)Cl PI-20604 [0,0,1,1,0,0|2,0,0]=4 661 B10R1.176 COC1=CC(=C(C=C1)Br)F PI-10453 [0,0,1,1,0,0|2,0,0]=4 662 B10R1.176 COC1=CC(=C(C=C1)Cl)Br PI-33016 [0,0,1,1,0,0|2,0,0]=4 663 B10R1.176 COC1=CC(=C(C=C1)N)O PI-34837 [0,0,1,1,0,0|2,0,0]=4 664 B10R1.176 COC1=CC(=C(C=C1)O)Br PI-14462 [0,0,1,1,0,0|2,0,0]=4 665 B10R1.176 COC1=CC(=C(C=C1)O)N PI-34807 [0,0,1,1,0,0|2,0,0]=4 666 B10R1.176 COC1=CC(F)=C(O)C=C1 PI-40578 [0,0,1,1,0,0|2,0,0]=4 667 B10R1.176 COC1=CC=C(Cl)C(F)=C1 PI-39520 [0,0,1,1,0,0|2,0,0]=4 668 B10R1.176 COC1=CC=C(N)C(N)=C1 PI-12090 [0,0,1,1,0,0|2,0,0]=4 669 B10R1.176 COc1ccc(c(c1)Cl)O PI-20143 [0,0,1,1,0,0|2,0,0]=4 670 B10R1.176 COc1ccc(c(c1)F)F PI-28067 [0,0,1,1,0,0|2,0,0]=4 671 B10R1.176 COc1ccc(c(c1)F)N PI-39131 [0,0,1,1,0,0|2,0,0]=4 672 B10R1.176 COc1ccc(c(c1)N)Br PI-35266 [0,0,1,1,0,0|2,0,0]=4 673 B10R1.176 COc1ccc(c(c1)N)N PI-29731 [0,0,1,1,0,0|2,0,0]=4 674 B10R2.7 C12=C(CNC1)C=CC=C2 PI-41113 [1,0,0,1,0,0|1,0,1]=4 675 B10R2.7 C1=CC2=NC=CN2C=C1 PI-45016 [1,0,0,1,0,0|2,0,0]=4 676 B10R2.7 C1=CC=C2C(=C1)C=CN2 PI-44715 [1,0,0,1,0,0|1,0,0]=3 677 B10R2.7 C1=CC=C2C(=C1)N=CO2 PI-47002 [1,0,0,1,0,0|1,0,0]=3 678 B10R2.7 C1=CC=C2C(=C1)SC=[S+]2 PI-14799 [1,0,0,1,0,0|1,1,0]=4 679 B10R2.7 C1=C[NH]C2=C1C=CN=C2 PI-10410 [1,0,0,1,0,0|2,0,0]=4 680 B10R2.7 C1=C[NH]C2=C1C=NC=C2 PI-10409 [1,0,0,1,0,0|2,0,0]=4 681 B10R2.7 C1CNC2=CC=CC=C21 PI-44710 [1,0,0,1,0,0|1,0,1]=4 682 B10R2.7 C1COC2=CC=CC=C21 PI-21250 [1,0,0,1,0,0|0,0,1]=3 683 B10R2.7 [B]1OC2=CC=CC=C2O1 PI-50000 [1,0,0,1,0,0|2,0,0]=4 684 B10R2.7 c1ccc2c(c1)[nH]cn2 PI-31348 [1,0,0,1,0,0|2,0,0]=4 685 B10R2.7 c1ccc2c(c1)[nH]nc2 PI-31379 [1,0,0,1,0,0|2,0,0]=4 686 B10R2.7 c1ccc2ccsc2c1 PI-14247 [1,0,0,1,0,0|0,1,0]=3 687 B10R2.7 c1cnc2[nH]ccc2c1 PI-16515 [1,0,0,1,0,0|2,0,0]=4 688 B10R2.7 c1cnc2c(c1)[nH]cc2 PI-10408 [1,0,0,1,0,0|2,0,0]=4 689 B10R2.7 c1ncc2sccc2c1 PI-36075 [1,0,0,1,0,0|1,1,0]=4 690 B10R2.320 C1=CC=CC2=C1CC2=O PI-40938 [1,0,0,1,0,0|1,0,0]=3 691 B10R2.320 C1C(C2=CC=CC=C21)Br PI-40935 [1,0,0,1,0,0|1,0,1]=4 692 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 PI-41127 [0,1,0,1,0,0|1,0,1]=4 693 B12R2.24 Brc1ccc2c(c1)ccnc2 PI-17753 [0,1,0,1,0,0|2,0,0]=4 694 B12R2.24 Brc1ccc2ccccc2c1 PI-11812 [0,1,0,1,0,0|1,0,1]=4 695 B12R2.24 C1=CC(=CC2=C1C=CN=C2)O PI-17780 [0,1,0,1,0,0|2,0,0]=4 696 B12R2.24 C1=CC2=C(C=C(C=C2)N)N=C1 PI-45912 [0,1,0,1,0,0|1,0,1]=4 697 B12R2.24 C1=CC2=C(C=CC(=C2)Br)N=C1 PI-29666 [0,1,0,1,0,0|1,0,1]=4 698 B12R2.24 C1=CC2=C(C=CC(=C2)Cl)N=C1 PI-11112 [0,1,0,1,0,0|1,0,1]=4 699 B12R2.24 C1=CC2=C(C=CN=C2)C=C1N PI-48190 [0,1,0,1,0,0|2,0,0]=4 700 B12R2.24 C1=CC2=CC(=O)NC=C2C=C1 PI-29911 [0,1,0,1,0,0|2,0,0]=4 701 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)Br PI-16426 [0,1,0,1,0,0|1,0,1]=4 702 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)O PI-35162 [0,1,0,1,0,0|1,0,1]=4 703 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)Br PI-29304 [0,1,0,1,0,0|1,0,1]=4 704 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)N PI-11108 [0,1,0,1,0,0|1,0,1]=4 705 B12R2.24 C1=CC=C2C(=C1)C=CC(=S)N2 PI-29414 [0,1,0,1,0,0|1,0,1]=4 706 B12R2.24 C1=CC=C2C=C(C=CC2=C1)Cl PI-24669 [0,1,0,1,0,0|1,0,1]=4 707 B12R2.24 C1=CC=C2C=[N+](C=CC2=C1)[O-] PI-17902 [0,1,0,1,0,0|2,0,0]=4 708 B12R2.24 C1C(=O)NC2=CC=CC=C2N1 PI-50558 [0,1,0,1,0,0|2,0,0]=4 709 B12R2.24 C1CN=CC2=C1C=CC(=C2)Cl PI-41043 [0,1,0,1,0,0|2,0,0]=4 710 B12R2.24 C1COC2=C(N1)C=C(C=C2)O PI-49017 [0,1,0,1,0,0|1,0,1]=4 711 B12R2.24 C1COC2=C(O1)C=CC(=C2)Br PI-28606 [0,1,0,1,0,0|1,0,1]=4 712 B12R2.24 CC1=CC2=CC=CC=C2N=C1 PI-16429 [0,1,0,1,0,0|1,0,1]=4 713 B12R2.24 CC1=CC=C2N=CC=CC2=N1 PI-40595 [0,1,0,1,0,0|2,0,0]=4 714 B12R2.24 Cc1ccc2c(n1)cccc2 PI-11867 [0,1,0,1,0,0|1,0,0]=3 715 B12R2.24 Clc1ccc2ccccc2n1 PI-16418 [0,1,0,1,0,0|1,0,1]=4 716 B12R2.24 FC1=CC=C2C=CC=CC2=C1 PI-37208 [0,1,0,1,0,0|1,0,1]=4 717 B12R2.24 Ic1ccc2c(c1)cccc2 PI-18754 [0,1,0,1,0,0|1,0,1]=4 718 B12R2.24 Nc1ccc2c(c1)OCCO2 PI-33749 [0,1,0,1,0,0|1,0,1]=4 719 B12R2.24 Nc1ccc2c(c1)cccc2 PI-25969 [0,1,0,1,0,0|1,0,1]=4 720 B12R2.24 Nc1ccc2c(c1)cccn2 PI-29716 [0,1,0,1,0,0|1,0,1]=4 721 B12R2.24 Nc1cnc2ccccc2c1 PI-29717 [0,1,0,1,0,0|1,0,1]=4 722 B12R2.24 Nc1ncc2ccccc2c1 PI-14103 [0,1,0,1,0,0|2,0,0]=4 723 B12R2.24 O=C1CCc2c(C1)cccc2 PI-18642 [0,1,0,1,0,0|1,0,1]=4 724 B12R2.24 O=C1CCc2c(N1)cccc2 PI-29698 [0,1,0,1,0,0|2,0,0]=4 725 B12R2.24 O=C1CSc2c(N1)cccc2 PI-14812 [0,1,0,1,0,0|1,1,0]=4 726 B12R2.24 Oc1ccc2c(c1)cccn2 PI-11465 [0,1,0,1,0,0|1,0,1]=4 727 B12R2.24 Oc1ccc2c(c1)nccc2 PI-12046 [0,1,0,1,0,0|1,0,1]=4 728 B12R2.24 Oc1ccc2c(n1)cccc2 PI-17352 [0,1,0,1,0,0|1,0,1]=4 729 B12R2.24 Oc1ccc2cnccc2c1 PI-34184 [0,1,0,1,0,0|2,0,0]=4 730 B12R2.24 SC1=CC=C2C=CC=CC2=C1 PI-25970 [0,1,0,1,0,0|1,0,1]=4 731 B12R2.132 Brc1ccc2CCC(=O)c2c1 PI-32742 [0,1,0,1,0,0|2,0,0]=4 732 B12R2.132 Brc1ccc2OCC(=O)c2c1 PI-36911 [0,1,0,1,0,0|1,0,0]=3 733 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)I PI-32743 [0,1,0,1,0,0|2,0,0]=4 734 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)N PI-34587 [0,1,0,1,0,0|2,0,0]=4 735 B12R2.132 CC1=CNC2=C1C=C(C=C2)F PI-22695 [0,1,0,1,0,0|2,0,0]=4 736 B12R2.132 CC1=COC2=C1C=C(C=C2)O PI-44179 [0,1,0,1,0,0|0,0,2]=4 737 B12R2.132 CC1=CSC2=C1C=C(C=C2)Cl PI-30258 [0,1,0,1,0,0|2,0,0]=4 738 B12R2.132 CC1=CSC2=C1C=C(C=C2)F PI-23747 [0,1,0,1,0,0|2,0,0]=4 739 B12R2.132 CN1C2=C(C=CC(=C2)Br)C=N1 PI-34954 [0,1,0,1,0,0|2,0,0]=4 740 B12R2.132 Clc1ccc2c(c1)C(=O)CC2 PI-32741 [0,1,0,1,0,0|2,0,0]=4 741 B12R2.132 Fc1ccc2c(c1)C(=O)CC2 PI-16850 [0,1,0,1,0,0|2,0,0]=4 742 B12R2.132 Nc1ccc2cnn(C)c2c1 PI-34953 [0,1,0,1,0,0|2,0,0]=4 743 B12R2.132 O=C1CCC2=C1C=C(O)C=C2 PI-37330 [0,1,0,1,0,0|2,0,0]=4 744 B12R2.132 Oc1ccc2c(c1)c(C)c[nH]2 PI-36560 [0,1,0,1,0,0|2,0,0]=4 745 B12R2.612 Brc1ccc2c(c1)cnn2C PI-34948 [0,1,0,1,0,0|2,0,0]=4 746 B12R2.612 Brc1ccc2c(c1)onc2Cl PI-39037 [0,1,0,1,0,0|2,0,0]=4 747 B12R2.612 C1=C(Br)C=CC2=C1CCC2=O PI-21521 [0,1,0,1,0,0|2,0,0]=4 748 B12R2.612 C1C(=O)C2=C(O1)C=C(C=C2)O PI-17763 [0,1,0,1,0,0|1,0,0]=3 749 B12R2.612 C1C(C2=C(O1)C=C(C=C2)Br)N PI-48312 [0,1,0,1,0,0|1,0,1]=4 750 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)F PI-16849 [0,1,0,1,0,0|2,0,0]=4 751 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)I PI-32739 [0,1,0,1,0,0|2,0,0]=4 752 B12R2.612 CN1C2=C(C=C(C=C2)I)C=N1 PI-34951 [0,1,0,1,0,0|2,0,0]=4 753 B12R2.612 CN1C2=C(C=C(C=C2)N)C=N1 PI-34947 [0,1,0,1,0,0|2,0,0]=4 754 B12R2.612 CN1C=CC2=C1C=CC(=C2)N PI-45196 [0,1,0,1,0,0|1,0,0]=3 755 B12R2.612 Clc1ccc2C(=O)CCc2c1 PI-31195 [0,1,0,1,0,0|2,0,0]=4 756 B12R2.612 Nc1ccc2C(=O)CCc2c1 PI-14100 [0,1,0,1,0,0|2,0,0]=4 757 B12R2.612 O=C1CCC2=C1C=CC(C)=C2 PI-40563 [0,1,0,1,0,0|2,0,0]=4 758 B12R2.612 OC1=CC2=C(N(C)N=C2)C=C1 PI-46693 [0,1,0,1,0,0|2,0,0]=4 759 B12R2.612 Oc1ccc2C(=O)CCc2c1 PI-11505 [0,1,0,1,0,0|2,0,0]=4 760 B12R2.1 BrCC1=NOC2=CC=CC=C12 PI-42779 [0,1,0,1,0,0|1,0,1]=4 761 B12R2.1 C1=CC=C2C(=C1)C(=CN2)C=O PI-16169 [0,1,0,1,0,0|1,0,1]=4 762 B12R2.1 C1=CC=C2C(=C1)C(=CS2)C=O PI-18657 [0,1,0,1,0,0|0,1,1]=4 763 B12R2.1 C1=CC=C2C(=C1)C(=CS2)CN PI-35078 [0,1,0,1,0,0|2,0,0]=4 764 B12R2.1 C1=CC=C2C(=C1)C(=NO2)CO PI-48272 [0,1,0,1,0,0|1,0,1]=4 765 B12R2.1 C1CC(=NO)C2=CC=CC=C21 PI-16549 [0,1,0,1,0,0|2,0,0]=4 766 B12R2.1 CCN1C=NC2=C1C=CC=C2 PI-32332 [0,1,0,1,0,0|2,0,0]=4 767 B12R2.1 O=Cc1coc2c1cccc2 PI-39293 [0,1,0,1,0,0|0,0,1]=3 768 B12R2.1 OCc1c[nH]c2c1cccc2 PI-16182 [0,1,0,1,0,0|2,0,0]=4 769 B12R2.18 C1C(C(=O)C2=CC=CC=C21)Br PI-30227 [0,1,0,1,0,0|2,0,0]=4 770 B12R2.18 CN1C2=CC=CC=C2N=C1N PI-30188 [0,1,0,1,0,0|2,0,0]=4 771 B12R2.18 Cc1[nH]c2ccccc2c1C PI-11086 [0,1,0,1,0,0|1,0,1]=4 772 B12R2.18 Cn1c(C)cc2c1cccc2 PI-11083 [0,1,0,1,0,0|1,0,0]=3 773 B12R2.18 O=C1OC2=CC=CC=C2C1C PI-37207 [0,1,0,1,0,0|2,0,0]=4 774 B12R2.315 C1=CC(=C2C=CNC2=C1)C=O PI-10831 [0,1,0,1,0,0|2,0,0]=4 775 B12R2.315 C1=CC(=C2C=CNC2=C1)CO PI-25038 [0,1,0,1,0,0|2,0,0]=4 776 B12R2.315 C1=CC2=C(C(=C1)C=O)NC=C2 PI-16183 [0,1,0,1,0,0|2,0,0]=4 777 B12R2.315 C1=CC2=C(C(=C1)CO)NC=C2 PI-25039 [0,1,0,1,0,0|2,0,0]=4 778 B12R2.315 C1COC2=C1C=CC=C2C=O PI-19274 [0,1,0,1,0,0|1,0,0]=3 779 B12R2.315 C1COC2=C1C=CC=C2CO PI-19152 [0,1,0,1,0,0|1,0,1]=4 780 B12R2.315 C1COC2=CC=CC(=C21)C=O PI-41060 [0,1,0,1,0,0|2,0,0]=4 781 B12R2.315 C1OC2=CC=CC(=C2O1)C=O PI-27910 [0,1,0,1,0,0|1,0,0]=3 782 B12R2.315 C=CC1=C2CCOC2=CC=C1 PI-42311 [0,1,0,1,0,0|1,0,0]=3 783 B12R2.315 CCc1cccc2c1[nH]cc2 PI-16824 [0,1,0,1,0,0|1,0,0]=3 784 B12R2.315 COC1=CC=CC2=C1C=CN2 PI-16821 [0,1,0,1,0,0|0,0,0]=2 785 B12R2.315 COC1=CC=CC2=C1NC=C2 PI-16822 [0,1,0,1,0,0|0,0,0]=2 786 B12R2.315 COC1=CC=CC2=C1NCC2 PI-35812 [0,1,0,1,0,0|0,0,2]=4 787 B12R2.315 COC1=CC=CC2=C1OC=C2 PI-19860 [0,1,0,1,0,0|0,0,0]=2 788 B12R2.315 COc1cccc2cn[nH]c12 PI-36375 [0,1,0,1,0,0|1,0,0]=3 789 B12R2.315 N#Cc1cccc2[nH]ccc12 PI-10830 [0,1,0,1,0,0|2,0,0]=4 790 B12R2.315 O=CC1=CC=CC2=NON=C21 PI-40954 [0,1,0,1,0,0|2,0,0]=4 791 B12R2.1081 Brc1cccc2ccccc12 PI-34202 [0,1,0,1,0,0|1,0,1]=4 792 B12R2.1081 Brc1ccnc2c1cccc2 PI-33930 [0,1,0,1,0,0|1,0,1]=4 793 B12R2.1081 C1=CC2=C(C(=C1)Br)N=CC=C2 PI-14517 [0,1,0,1,0,0|1,0,1]=4 794 B12R2.1081 C1=CC2=C(C(=C1)Cl)N=CC=C2 PI-29757 [0,1,0,1,0,0|1,0,1]=4 795 B12R2.1081 C1=CC2=C(C(=C1)O)N=CC=C2 PI-32036 [0,1,0,1,0,0|1,0,1]=4 796 B12R2.1081 C1=CC2=C(C(=C1)S)N=CC=C2 PI-12049 [0,1,0,1,0,0|1,0,1]=4 797 B12R2.1081 C1=CC2=C(C(=C1)[O-])N=CC=C2 PI-33667 [0,1,0,1,0,0|1,0,1]=4 798 B12R2.1081 C1=CC2=C(C(=C1)[O-])N=CC=C2 PI-37979 [0,1,0,1,0,0|1,0,1]=4 799 B12R2.1081 C1=CC2=C(C=CC=N2)C(=C1)I PI-48538 [0,1,0,1,0,0|1,0,1]=4 800 B12R2.1081 C1=CC2=C(C=CN=C2)C(=C1)Cl PI-17702 [0,1,0,1,0,0|2,0,0]=4 801 B12R2.1081 C1=CC2=C(C=NC=C2)C(=C1)Br PI-14518 [0,1,0,1,0,0|2,0,0]=4 802 B12R2.1081 C1=CC=C(C2=CC=CN=C12)Br PI-29629 [0,1,0,1,0,0|1,0,1]=4 803 B12R2.1081 C1=CC=C2C(=C1)C(=O)C=CN2 PI-16442 [0,1,0,1,0,0|1,0,1]=4 804 B12R2.1081 C1=CC=C2C(=C1)C(=O)C=CO2 PI-15386 [0,1,0,1,0,0|0,0,1]=3 805 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2S PI-18636 [0,1,0,1,0,0|1,0,1]=4 806 B12R2.1081 C1=CC=C2C(=C1)C=CC=[N+]2[O-] PI-29172 [0,1,0,1,0,0|1,0,1]=4 807 B12R2.1081 C1=CC=C2C(=C1)C=CC=[N+]2[O-] PI-29819 [0,1,0,1,0,0|1,0,1]=4 808 B12R2.1081 C1=CC=C2C(=C1)C=CN=C2Br PI-16539 [0,1,0,1,0,0|2,0,0]=4 809 B12R2.1081 C1=CC=C2C(=C1)C=CN=C2Cl PI-29294 [0,1,0,1,0,0|2,0,0]=4 810 B12R2.1081 C1=CC=C2C(=C1)C=NC=C2Br PI-11110 [0,1,0,1,0,0|2,0,0]=4 811 B12R2.1081 C1=CC=C2C(=C1)C=NC=C2F PI-42940 [0,1,0,1,0,0|2,0,0]=4 812 B12R2.1081 C1=CC=CC2=C1C(=O)NC=C2 PI-11697 [0,1,0,1,0,0|2,0,0]=4 813 B12R2.1081 C1=CN=CC2=CC=CC(=C12)Br PI-17691 [0,1,0,1,0,0|2,0,0]=4 814 B12R2.1081 C1CC2=CC=CC=C2C(=O)C1 PI-32512 [0,1,0,1,0,0|1,0,1]=4 815 B12R2.1081 C1CNC(=O)C2=CC=CC=C21 PI-35016 [0,1,0,1,0,0|2,0,0]=4 816 B12R2.1081 C1CNC2=CC=CC=C2C1=O PI-44146 [0,1,0,1,0,0|1,0,1]=4 817 B12R2.1081 C1COC2=C(N1)C=CC=C2O PI-36585 [0,1,0,1,0,0|1,0,1]=4 818 B12R2.1081 C1CSC2=CC=CC=C2C1=O PI-44168 [0,1,0,1,0,0|0,1,1]=4 819 B12R2.1081 CC1=C2C=CC=NC2=CC=C1 PI-48532 [0,1,0,1,0,0|1,0,1]=4 820 B12R2.1081 Cc1ccnc2ccccc12 PI-16520 [0,1,0,1,0,0|1,0,0]=3 821 B12R2.1081 Cc1nccc2ccccc12 PI-29203 [0,1,0,1,0,0|1,0,0]=3 822 B12R2.1081 ClC1=C2C=CC=NC2=CC=C1 PI-29809 [0,1,0,1,0,0|1,0,1]=4 823 B12R2.1081 Clc1cccc2ccccc12 PI-32014 [0,1,0,1,0,0|1,0,1]=4 824 B12R2.1081 Fc1cccc2ccccc12 PI-28374 [0,1,0,1,0,0|1,0,1]=4 825 B12R2.1081 IC1=CC=CC2=C1C=CC=C2 PI-10978 [0,1,0,1,0,0|1,0,1]=4 826 B12R2.1081 Ic1ccnc2ccccc12 PI-36504 [0,1,0,1,0,0|1,0,1]=4 827 B12R2.1081 NC1=C2C=CC=NC2=CC=C1 PI-28683 [0,1,0,1,0,0|1,0,1]=4 828 B12R2.1081 NC1=CC=CC2=C1C=CN=C2 PI-16512 [0,1,0,1,0,0|2,0,0]=4 829 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 PI-41866 [0,1,0,1,0,0|0,0,2]=4 830 B12R2.1081 Nc1cccc2c1OCCO2 PI-34758 [0,1,0,1,0,0|1,0,1]=4 831 B12R2.1081 Nc1cccc2c1nccc2 PI-31237 [0,1,0,1,0,0|1,0,1]=4 832 B12R2.1081 Nc1cncc2ccccc12 PI-29375 [0,1,0,1,0,0|2,0,0]=4 833 B12R2.1081 Nc1nccc2c1cccc2 PI-17133 [0,1,0,1,0,0|2,0,0]=4 834 B12R2.1081 O=C1CCOc2c1cccc2 PI-10312 [0,1,0,1,0,0|0,0,1]=3 835 B12R2.1081 Oc1cccc2ncccc12 PI-29714 [0,1,0,1,0,0|1,0,1]=4 836 B12R2.1081 [O-]c1cccc2c1nccc2 PI-33666 [0,1,0,1,0,0|1,0,1]=4 837 B12R2.1081 [O-]c1cccc2c1nccc2 PI-38357 [0,1,0,1,0,0|1,0,1]=4 838 B12R2.2028 C1C(=O)C2=CC=CC=C2C1=O PI-31372 [0,1,0,1,0,0|2,0,0]=4 839 B12R2.2028 CN1C2=CC=CC=C2C(=N1)N PI-34974 [0,1,0,1,0,0|2,0,0]=4 840 B12R2.2403 C1=CC=C2C(=C1)C=CS2(=O)=O PI-30948 [0,1,0,1,0,0|1,1,0]=4 841 B12R2.196 BrC1=C2C(C(CS2)=O)=CC=C1 PI-38352 [0,1,0,1,0,0|1,1,0]=4 842 B12R2.196 C1C(=O)C2=C(O1)C(=CC=C2)I PI-32748 [0,1,0,1,0,0|1,0,0]=3 843 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)Cl PI-32730 [0,1,0,1,0,0|2,0,0]=4 844 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)F PI-32729 [0,1,0,1,0,0|2,0,0]=4 845 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)I PI-32731 [0,1,0,1,0,0|2,0,0]=4 846 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)O PI-40573 [0,1,0,1,0,0|2,0,0]=4 847 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 PI-42676 [0,1,0,1,0,0|2,0,0]=4 848 B12R2.196 CN1C2=C(C=N1)C(=CC=C2)Cl PI-34935 [0,1,0,1,0,0|2,0,0]=4 849 B12R2.196 CN1C2=C(C=N1)C(=CC=C2)F PI-34937 [0,1,0,1,0,0|2,0,0]=4 850 B12R2.196 CN1C2=C(C=N1)C(=CC=C2)I PI-34936 [0,1,0,1,0,0|2,0,0]=4 851 B12R2.196 CN1C2=CC=CC(=C2C=N1)N PI-34933 [0,1,0,1,0,0|2,0,0]=4 852 B12R2.196 CN1N=CC2=C(Br)C=CC=C12 PI-34934 [0,1,0,1,0,0|2,0,0]=4 853 B12R2.196 O=C1CCc2c1cccc2Br PI-21520 [0,1,0,1,0,0|2,0,0]=4 854 B12R2.196 O=C1COc2c1cccc2Br PI-32747 [0,1,0,1,0,0|1,0,0]=3 855 B12R2.203 C1=CC2=C(C(=C1)Cl)C(=O)NO2 PI-34869 [0,1,0,1,0,0|2,0,0]=4 856 B12R2.203 C1C(=O)C2=C(O1)C=CC=C2Cl PI-32752 [0,1,0,1,0,0|1,0,0]=3 857 B12R2.203 C1CC(=O)C2=C1C=CC=C2F PI-32734 [0,1,0,1,0,0|2,0,0]=4 858 B12R2.203 C1CC(=O)C2=C1C=CC=C2I PI-32736 [0,1,0,1,0,0|2,0,0]=4 859 B12R2.203 CN1C2=C(C=CC=C2Br)C=N1 PI-34903 [0,1,0,1,0,0|2,0,0]=4 860 B12R2.203 CN1C2=C(C=CC=C2N)C=N1 PI-34896 [0,1,0,1,0,0|2,0,0]=4 861 B12R2.203 O=C1CCc2c1c(Br)ccc2 PI-32735 [0,1,0,1,0,0|2,0,0]=4 862 B12R2.203 O=C1CCc2c1c(Cl)ccc2 PI-31373 [0,1,0,1,0,0|2,0,0]=4 863 B8R1.11 CC1=C(SC=C1)C=O PI-10802 [1,0,0,0,1,0|2,0,0]=4 864 B8R1.11 CC1=C(SC=N1)C=C PI-11137 [1,0,0,0,1,0|2,0,0]=4 865 B8R1.11 CN1C=CC=C1C=O PI-33707 [1,0,0,0,1,0|2,0,0]=4 866 B8R1.11 COC1=C(SC=C1)Br PI-39262 [1,0,0,0,1,0|2,0,0]=4