0 B11R1.280 C1=CC(=C(C=C1C#N)C=O)O PI-34031 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.280 C1=CC(=C(C=C1C=O)C#N)F PI-27344 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.280 C1=CC(=C(C=C1C=O)C=O)O PI-27490 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.280 C1=CC(=C(C=C1CCl)C=O)O PI-27376 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.280 C1=CC(=CC(=C1C)OC)C=O PI-10103 [0,0,0,0,0,0|1,0,0]=1 5 B11R1.280 CCC1=C(C=CC(=C1)C#N)N PI-15893 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.280 CCC1=CC(=C(C=C1)Br)OC PI-48437 [0,0,0,0,0,0|2,0,1]=3 7 B11R1.280 CCC1=CC(=C(C=C1)O)C=O PI-26703 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.280 CCC1=CC(=C(C=C1)O)OC PI-12830 [0,0,0,0,0,0|1,0,1]=2 9 B11R1.280 COC1=C(C=CC(=C1)C#N)F PI-10706 [0,0,0,0,0,0|2,0,1]=3 10 B11R1.280 COC1=C(C=CC(=C1)NN)F PI-50686 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.280 COC1=CC(=C(C=C1)I)OC PI-23241 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.280 COc1cc(C#N)ccc1O PI-29016 [0,0,0,0,0,0|1,0,1]=2 13 B11R1.280 COc1cc(C=O)ccc1F PI-28101 [0,0,0,0,0,0|1,0,0]=1 14 B11R1.280 COc1cc(C=O)ccc1O PI-34109 [0,0,0,0,0,0|0,0,0]=0 15 B11R1.280 COc1ccc(F)c(OC)c1 PI-23228 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.280 COc1ccc(O)c(C=O)c1 PI-27833 [0,0,0,0,0,0|4,0,0]=4 17 B11R1.280 COc1ccc(S)c(OC)c1 PI-23358 [0,0,0,0,0,0|2,1,0]=3 18 B11R1.280 COc1ccc(c(c1)OC)Br PI-21375 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.280 COc1ccc(c(n1)OC)N PI-26916 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.30 BrC1=C(C=C(C=C1)Cl)OC PI-41885 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.30 C1=C(Br)C=CC(=C1CO)O PI-12023 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.30 C1=CC(=C(C=C1Br)C=O)O PI-29253 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.30 C1=CC(=C(C=C1Cl)C#N)O PI-44911 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.30 C1=CC(=C(C=C1Cl)C=O)O PI-12029 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.30 C1=CC(=C(C=C1Cl)CO)O PI-12028 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.30 C1=CC(=C(C=C1F)C=O)O PI-10579 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.30 C1=CC(=C(C=C1I)C=O)O PI-27272 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.30 CC1=C(C=C(C=C1)Cl)OC PI-10564 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.30 CC1=CC=C(O)C(CC)=N1 PI-33202 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.30 CC1=NC(=C(C=C1)F)OC PI-34436 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.30 CCC1=C(C=CC(=C1)O)O PI-19340 [1,0,0,0,0,0|1,0,1]=3 32 B10R1.30 CCc1cc(Br)ccc1I PI-21420 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.30 CNC1=C(C=CC(=C1)F)Br PI-39646 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.30 COC1=C(C=CC(=C1)Br)N PI-44941 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.30 COC1=C(C=CC(=C1)Cl)Cl PI-21000 [1,0,0,0,0,0|2,0,0]=3 36 B10R1.30 COC1=C(C=CC(=C1)Cl)N PI-11332 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.30 COC1=C(C=CC(=C1)F)Br PI-21434 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.30 COC1=C(C=CC(=C1)F)F PI-12727 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.30 COC1=C(C=CC(=C1)N)Br PI-33359 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.30 COC1=C(C=CC(=C1)N)Cl PI-34236 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.30 COC1=C(C=CC(=C1)N)F PI-10622 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.30 COC1=C(N=CC(=C1)Br)N PI-34882 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.30 COC1=C(O)C=CC(F)=C1 PI-27601 [1,0,0,0,0,0|1,0,0]=2 44 B10R1.30 COC1=CC(=CN=C1F)Br PI-43260 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.30 COC1=CC(Br)=CN=C1Cl PI-41978 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.30 COc1cc(Br)ccc1Cl PI-14389 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.30 COc1cc(Br)ccc1F PI-34341 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.30 FC1=CC(=C(N)C=C1)OC PI-39749 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.30 N#Cc1cc(Br)ccc1O PI-21509 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.30 O=Cc1cc(C)ccc1O PI-10857 [1,0,0,0,0,0|2,0,1]=4 51 B10R1.30 O=Cc1cc(O)ccc1O PI-18118 [1,0,0,0,0,0|2,0,1]=4 52 B10R1.30 OC1=CC=C(C)N=C1CC PI-40313 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.172 BrCc1cccc(C=O)c1 PI-26927 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.172 C1=CC(=CC(=C1)C#N)C=O PI-24269 [1,0,0,0,0,0|2,0,0]=3 55 B10R1.172 C=Cc1cccc(c1)C=O PI-27316 [1,0,0,0,0,0|1,0,1]=3 56 B10R1.172 CCC1=CC(=CC=C1)C#N PI-22051 [1,0,0,0,0,0|2,0,1]=4 57 B10R1.172 CNC1=NC(=CC=C1)OC PI-11646 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.172 COC1=CC(=CC=C1)OC PI-35273 [1,0,0,0,0,0|2,0,0]=3 59 B10R1.172 COC1=CC(=NC=C1)CN PI-50083 [1,0,0,0,0,0|2,0,1]=4 60 B10R1.172 COC1=CC(=NC=C1)OC PI-26237 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.172 COC1=CC=CC(=C1)C#N PI-31072 [1,0,0,0,0,0|1,0,1]=3 62 B10R1.172 COC1=CC=CC(=C1)CBr PI-49400 [1,0,0,0,0,0|1,0,1]=3 63 B10R1.172 COC1=CC=CC(=C1)CN PI-31714 [1,0,0,0,0,0|1,0,1]=3 64 B10R1.172 COC1=CC=CC(=C1)NN PI-29546 [1,0,0,0,0,0|2,0,0]=3 65 B10R1.172 COC1=NC(=CC=C1)OC PI-34404 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.172 COc1cccc(c1)C=O PI-32570 [1,0,0,0,0,0|0,0,0]=1 67 B10R1.172 COc1cccc(n1)C=O PI-26723 [1,0,0,0,0,0|1,0,0]=2 68 B10R1.172 COc1nccc(c1)CO PI-39370 [1,0,0,0,0,0|1,0,2]=4 69 B10R1.172 CSc1nccc(n1)C=O PI-38235 [1,0,0,0,0,0|2,1,0]=4 70 B10R1.172 ClCc1cccc(c1)OC PI-32021 [1,0,0,0,0,0|1,0,1]=3 71 B10R1.172 N#CC1=NC(OC)=CC=C1 PI-46677 [1,0,0,0,0,0|2,0,1]=4 72 B10R1.172 N#CC1=NC=CC(OC)=C1 PI-46678 [1,0,0,0,0,0|2,0,1]=4 73 B10R1.172 O=CC1=CC(OC)=CN=C1 PI-37016 [1,0,0,0,0,0|1,0,0]=2 74 B10R1.172 O=Cc1cccc(c1)C=O PI-16456 [1,0,0,0,0,0|2,0,0]=3 75 B10R1.172 O=Cc1cccc(c1)C=O PI-18771 [1,0,0,0,0,0|2,0,0]=3 76 B10R1.172 OCc1cccc(c1)OC PI-31272 [1,0,0,0,0,0|0,0,2]=3 77 B10R1.176 BrCc1ccc(F)c(C)c1 PI-23754 [1,0,0,0,0,0|2,0,1]=4 78 B10R1.176 C1=CC(=C(C=C1C#N)Br)O PI-16222 [1,0,0,0,0,0|2,0,1]=4 79 B10R1.176 C1=CC(=C(C=C1C#N)F)O PI-34365 [1,0,0,0,0,0|2,0,1]=4 80 B10R1.176 C1=CC(=C(C=C1C#N)O)F PI-35270 [1,0,0,0,0,0|2,0,1]=4 81 B10R1.176 C1=CC(=C(C=C1C=O)Br)Br PI-27885 [1,0,0,0,0,0|2,0,0]=3 82 B10R1.176 C1=CC(=C(C=C1C=O)Br)Cl PI-35233 [1,0,0,0,0,0|2,0,0]=3 83 B10R1.176 C1=CC(=C(C=C1C=O)Br)O PI-18445 [1,0,0,0,0,0|1,0,0]=2 84 B10R1.176 C1=CC(=C(C=C1C=O)Cl)F PI-28406 [1,0,0,0,0,0|2,0,0]=3 85 B10R1.176 C1=CC(=C(C=C1C=O)Cl)O PI-20127 [1,0,0,0,0,0|1,0,0]=2 86 B10R1.176 C1=CC(=C(C=C1C=O)F)O PI-28509 [1,0,0,0,0,0|1,0,0]=2 87 B10R1.176 C1=CC(=C(C=C1C=O)I)F PI-26322 [1,0,0,0,0,0|2,0,0]=3 88 B10R1.176 C1=CC(=C(C=C1C=O)O)I PI-27146 [1,0,0,0,0,0|1,0,0]=2 89 B10R1.176 C1=CC(=C(C=C1CO)O)I PI-45003 [1,0,0,0,0,0|1,0,2]=4 90 B10R1.176 C1=CC(=C(C=C1CO)O)O PI-19526 [1,0,0,0,0,0|0,0,2]=3 91 B10R1.176 CC1=C(C=C(C=C1)C=O)C PI-11614 [1,0,0,0,0,0|1,0,0]=2 92 B10R1.176 CC1=C(C=C(C=C1)C=O)F PI-28215 [1,0,0,0,0,0|2,0,0]=3 93 B10R1.176 CC1=C(C=C(C=C1)CCl)C PI-23827 [1,0,0,0,0,0|2,0,1]=4 94 B10R1.176 CC1=C(C=C(C=C1)CN)C PI-33680 [1,0,0,0,0,0|2,0,1]=4 95 B10R1.176 CC1=C(C=C(C=C1)NN)C PI-50516 [1,0,0,0,0,0|3,0,0]=4 96 B10R1.176 CC1=C(C=CC(=C1)C#N)Br PI-14470 [1,0,0,0,0,0|2,0,1]=4 97 B10R1.176 CC1=C(C=CC(=C1)C#N)F PI-10709 [1,0,0,0,0,0|2,0,1]=4 98 B10R1.176 CC1=C(C=CC(=C1)C#N)N PI-30932 [1,0,0,0,0,0|2,0,1]=4 99 B10R1.176 CC1=C(C=CC(=C1)C=O)F PI-28124 [1,0,0,0,0,0|1,0,0]=2 100 B10R1.176 CC1=C(C=CC(=C1)C=O)O PI-18215 [1,0,0,0,0,0|0,0,0]=1 101 B10R1.176 CC1=C(C=CC(=C1)OC)Br PI-31134 [1,0,0,0,0,0|3,0,0]=4 102 B10R1.176 CC1=C(C=CC(=C1)OC)Cl PI-19110 [1,0,0,0,0,0|3,0,0]=4 103 B10R1.176 CC1=C(C=CC(=C1)OC)F PI-28300 [1,0,0,0,0,0|3,0,0]=4 104 B10R1.176 CC1=C(C=CC(=C1)OC)N PI-11298 [1,0,0,0,0,0|3,0,0]=4 105 B10R1.176 CCc1ccc(c(c1)O)O PI-19057 [1,0,0,0,0,0|1,0,1]=3 106 B10R1.176 COC1=CC(=C(C=C1)N)O PI-34837 [1,0,0,0,0,0|3,0,0]=4 107 B10R1.176 COC1=CC(=C(C=C1)O)Br PI-14462 [1,0,0,0,0,0|3,0,0]=4 108 B10R1.176 COC1=CC(=C(C=C1)O)N PI-34807 [1,0,0,0,0,0|3,0,0]=4 109 B10R1.176 COC1=CC(F)=C(O)C=C1 PI-40578 [1,0,0,0,0,0|3,0,0]=4 110 B10R1.176 COc1ccc(c(c1)Cl)O PI-20143 [1,0,0,0,0,0|3,0,0]=4 111 B10R1.176 Fc1ccc(C=O)cc1Br PI-10431 [1,0,0,0,0,0|2,0,0]=3 112 B10R1.176 N#Cc1ccc(c(c1)C)C PI-29364 [1,0,0,0,0,0|2,0,1]=4 113 B10R1.176 NCc1ccc(c(c1)O)O PI-30190 [1,0,0,0,0,0|1,0,1]=3 114 B10R1.176 NNc1ccc(c(c1)C)C PI-29749 [1,0,0,0,0,0|3,0,0]=4 115 B10R1.176 O=CC1=CC=C(O)C(I)=C1 PI-27762 [1,0,0,0,0,0|1,0,0]=2 116 B10R1.176 O=Cc1ccc(Cl)c(F)c1 PI-10524 [1,0,0,0,0,0|2,0,0]=3 117 B10R1.176 O=Cc1ccc(F)c(F)c1 PI-10106 [1,0,0,0,0,0|2,0,0]=3 118 B10R1.176 O=Cc1ccc(I)c(F)c1 PI-28941 [1,0,0,0,0,0|2,0,0]=3 119 B10R1.176 O=Cc1ccc(I)c(I)c1 PI-26672 [1,0,0,0,0,0|2,0,0]=3 120 B10R1.176 O=Cc1ccc(O)c(O)c1 PI-10046 [1,0,0,0,0,0|0,0,0]=1 121 B10R1.176 O=Cc1ccc(c(c1)Cl)Cl PI-18774 [1,0,0,0,0,0|2,0,0]=3 122 B10R1.176 O=Cc1ccc(c(c1)F)Br PI-10449 [1,0,0,0,0,0|2,0,0]=3 123 B10R1.176 O=Cc1ccc(c(c1)O)C PI-27720 [1,0,0,0,0,0|1,0,0]=2 124 B12R1.56 B(C1=CC(=C(C=C1)C)OC)(O)O PI-49932 [0,1,0,0,0,0|2,0,1]=4 125 B12R1.56 B(C1=CC(=C(C=C1)Cl)OC)(O)O PI-49926 [0,1,0,0,0,0|2,0,1]=4 126 B12R1.56 B(C1=CC(=C(C=C1)F)OC)(O)O PI-49958 [0,1,0,0,0,0|2,0,1]=4 127 B12R1.56 C1=CC(=C(C=C1[N+](=O)[O-])CBr)O PI-26902 [0,1,0,0,0,0|3,0,0]=4 128 B12R1.56 C1=CC(=C(C=C1[N+](=O)[O-])CCl)O PI-29444 [0,1,0,0,0,0|3,0,0]=4 129 B12R1.56 C1=CC(=C(C=C1[N+](=O)[O-])CO)O PI-26608 [0,1,0,0,0,0|3,0,0]=4 130 B12R1.56 CC(=O)C1=CC(=C(C=C1)F)OC PI-30823 [0,1,0,0,0,0|1,0,0]=2 131 B12R1.56 CC(=O)C1=CC(=C(C=C1)O)CCl PI-16156 [0,1,0,0,0,0|2,0,0]=3 132 B12R1.56 CC1=C(C=C(C=C1)C(=O)O)C#C PI-44792 [0,1,0,0,0,0|2,0,1]=4 133 B12R1.56 CC1=C(C=C(C=C1)C(=O)O)C=O PI-43250 [0,1,0,0,0,0|3,0,0]=4 134 B12R1.56 CC1=C(C=C(C=C1)[N+](=O)[O-])OC PI-12157 [0,1,0,0,0,0|2,0,0]=3 135 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)F PI-34251 [0,1,0,0,0,0|1,0,0]=2 136 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])Cl PI-20188 [0,1,0,0,0,0|2,0,0]=3 137 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])F PI-34250 [0,1,0,0,0,0|2,0,0]=3 138 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])I PI-29688 [0,1,0,0,0,0|2,0,0]=3 139 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])O PI-27481 [0,1,0,0,0,0|1,0,0]=2 140 B12R1.56 COc1cc(ccc1Br)C(=O)O PI-35857 [0,1,0,0,0,0|1,0,0]=2 141 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] PI-29916 [0,1,0,0,0,0|2,0,0]=3 142 B12R1.56 COc1cc(ccc1Cl)C(=O)O PI-27953 [0,1,0,0,0,0|1,0,0]=2 143 B12R1.56 COc1cc(ccc1F)B(O)O PI-25597 [0,1,0,0,0,0|2,0,1]=4 144 B12R1.56 COc1cc(ccc1N)C(=O)O PI-30375 [0,1,0,0,0,0|1,0,0]=2 145 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] PI-32439 [0,1,0,0,0,0|2,0,0]=3 146 B12R1.56 COc1cc(ccc1O)C(=O)O PI-31895 [0,1,0,0,0,0|0,0,0]=1 147 B12R1.56 O=C(C1=CC=C(O)C(OC)=C1)C PI-46830 [0,1,0,0,0,0|0,0,0]=1 148 B12R1.56 O=C(O)C1=CC=C(C)C(OC)=C1 PI-10102 [0,1,0,0,0,0|1,0,0]=2 149 B12R1.56 O=Cc1cc(ccc1O)C(=O)O PI-38270 [0,1,0,0,0,0|2,0,0]=3 150 B12R1.56 O=Cc1cc(ccc1O)[N+](=O)[O-] PI-10093 [0,1,0,0,0,0|3,0,0]=4 151 B12R1.78 C1=C(C(=CC=C1OC)OC)OC PI-15328 [0,1,0,0,0,0|2,0,0]=3 152 B12R1.78 COC1=C(C=C(C=C1)C#N)OC PI-34357 [0,1,0,0,0,0|1,0,1]=3 153 B12R1.78 COC1=C(C=C(C=C1)C=C)OC PI-46940 [0,1,0,0,0,0|1,0,0]=2 154 B12R1.78 COC1=C(C=C(C=C1)CN)OC PI-21287 [0,1,0,0,0,0|1,0,1]=3 155 B12R1.78 COC1=C(C=CC(=C1)C#N)C=O PI-26308 [0,1,0,0,0,0|1,0,2]=4 156 B12R1.78 COC1=CC(=C(C=C1)C#N)OC PI-29583 [0,1,0,0,0,0|3,0,0]=4 157 B12R1.78 COc1cc(C#C)ccc1OC PI-30615 [0,1,0,0,0,0|1,0,1]=3 158 B12R1.78 COc1cc(CCl)ccc1OC PI-32020 [0,1,0,0,0,0|1,0,1]=3 159 B12R1.78 COc1cc(OC)ccc1C=O PI-10207 [0,1,0,0,0,0|2,0,1]=4 160 B12R1.78 COc1cc(OC)ccc1CO PI-29889 [0,1,0,0,0,0|2,0,0]=3 161 B12R1.78 COc1cc(SC)ccc1OC PI-23352 [0,1,0,0,0,0|2,0,0]=3 162 B12R1.78 COc1cc([N+]#[C-])ccc1OC PI-23292 [0,1,0,0,0,0|2,0,0]=3 163 B12R1.286 CC1=C(C=C(C=C1)CC#N)OC PI-35269 [0,1,0,0,0,0|2,0,1]=4 164 B12R1.286 COC1=C(C=CC(=C1)C=NO)O PI-27429 [0,1,0,0,0,0|0,0,1]=2 165 B12R1.286 COC1=C(C=CC(=C1)CCN)Br PI-48277 [0,1,0,0,0,0|2,0,1]=4 166 B12R1.286 COC1=C(C=CC(=C1)CCN)O PI-20794 [0,1,0,0,0,0|1,0,1]=3 167 B12R1.286 OCCc1ccc(c(c1)OC)O PI-27378 [0,1,0,0,0,0|0,0,2]=3 168 B12R1.300 COC1=C(C(=CC(=C1)C=O)Br)O PI-18444 [0,1,0,0,0,0|0,0,0]=1 169 B12R1.300 COC1=C(C(=CC(=C1)C=O)I)O PI-27693 [0,1,0,0,0,0|0,0,0]=1 170 B12R1.300 COC1=CC(=CC(=C1O)O)C=O PI-18518 [0,1,0,0,0,0|0,0,0]=1 171 B12R1.300 COc1cc(C=O)cc(Cl)c1O PI-27306 [0,1,0,0,0,0|0,0,0]=1 172 B12R1.300 COc1cc(C=O)cc(F)c1O PI-27919 [0,1,0,0,0,0|0,0,0]=1 173 B12R1.449 COC1=C(C=C(C(=C1)C=O)Br)O PI-27776 [0,1,0,0,0,0|0,0,0]=1 174 B12R1.449 COC1=C(C=C(C(=C1)C=O)F)Cl PI-48251 [0,1,0,0,0,0|1,0,0]=2 175 B12R1.449 COC1=CC(=C(C=C1N)Cl)OC PI-11752 [0,1,0,0,0,0|3,0,0]=4 176 B12R1.453 B(C1=C(C=CC(=C1)C=O)F)(O)O PI-25473 [0,1,0,0,0,0|3,0,0]=4 177 B12R1.453 C1=CC(=C(C=C1C=O)C(=O)O)F PI-42451 [0,1,0,0,0,0|3,0,0]=4 178 B12R1.453 C1=CC(=C(C=C1C=O)[N+](=O)[O-])Br PI-27226 [0,1,0,0,0,0|3,0,0]=4 179 B12R1.453 C1=CC(=C(C=C1C=O)[N+](=O)[O-])Cl PI-20189 [0,1,0,0,0,0|3,0,0]=4 180 B12R1.453 C1=CC(=C(C=C1C=O)[N+](=O)[O-])F PI-23798 [0,1,0,0,0,0|3,0,0]=4 181 B12R1.453 C1=CC(=C(C=C1C=O)[N+](=O)[O-])N PI-44095 [0,1,0,0,0,0|3,0,0]=4 182 B12R1.453 CC(=O)C1=C(C=CC(=C1)C#N)O PI-35466 [0,1,0,0,0,0|2,0,1]=4 183 B12R1.453 CC1=C(C=C(C=C1)C=O)[N+](=O)[O-] PI-24316 [0,1,0,0,0,0|3,0,0]=4 184 B12R1.453 CCC1=CC(=C(C=C1)O)C(=O)C PI-29391 [0,1,0,0,0,0|2,0,1]=4 185 B12R1.453 COc1ccc(c(c1)C(=O)C)O PI-29865 [0,1,0,0,0,0|3,0,0]=4 186 B12R1.453 O=Cc1ccc(c(c1)[N+](=O)[O-])O PI-20825 [0,1,0,0,0,0|2,0,0]=3 187 B12R1.654 COC1=C(C=CC(=C1F)C#N)F PI-10695 [0,1,0,0,0,0|2,0,1]=4 188 B12R2.44 C#Cc1ccc2c(c1)OCO2 PI-38731 [0,0,0,1,0,0|1,0,1]=3 189 B12R2.44 C1=CC(=CC2=C1C=CN2)C=O PI-16830 [0,0,0,1,0,0|2,0,1]=4 190 B12R2.44 C1=CC2=C(C=C1C=O)NN=C2 PI-45198 [0,0,0,1,0,0|3,0,0]=4 191 B12R2.44 C1=CC2=C(C=C1C=O)OC=N2 PI-50074 [0,0,0,1,0,0|1,0,1]=3 192 B12R2.44 C1=CC2=C(C=CN2)C=C1C=O PI-16829 [0,0,0,1,0,0|2,0,1]=4 193 B12R2.44 C1=CC2=C(C=CO2)C=C1C=O PI-19018 [0,0,0,1,0,0|1,0,1]=3 194 B12R2.44 C1=CC2=NON=C2C=C1C=O PI-14170 [0,0,0,1,0,0|3,0,0]=4 195 B12R2.44 C1=CC2=NSN=C2C=C1C=O PI-14163 [0,0,0,1,0,0|3,0,0]=4 196 B12R2.44 C1COC2=C1C=C(C=C2)C=O PI-21253 [0,0,0,1,0,0|1,0,0]=2 197 B12R2.44 C1COC2=C1C=C(C=C2)CN PI-17657 [0,0,0,1,0,0|2,0,1]=4 198 B12R2.44 C1COC2=C1C=C(C=C2)CO PI-19102 [0,0,0,1,0,0|1,0,2]=4 199 B12R2.44 C1OC2=C(O1)C=C(C=C2)CCl PI-32417 [0,0,0,1,0,0|1,0,1]=3 200 B12R2.44 C=CC1=CC2=C(C=C1)OCO2 PI-49743 [0,0,0,1,0,0|1,0,0]=2 201 B12R2.44 N#Cc1ccc2c(c1)OCO2 PI-12788 [0,0,0,1,0,0|1,0,1]=3 202 B12R2.44 O=CC1=CC=C2OC=NC2=C1 PI-46719 [0,0,0,1,0,0|1,0,1]=3 203 B12R2.44 O=Cc1ccc2sccc2c1 PI-29029 [0,0,0,1,0,0|1,1,1]=4 204 B12R2.44 OCc1ccc2OCOc2c1 PI-32416 [0,0,0,1,0,0|0,0,2]=3 205 B9R1.2 Brc1cc(C=O)ncc1 PI-38308 [2,0,0,0,0,0|2,0,0]=4 206 B9R1.2 C1=CC(=CC(=C1)I)C=O PI-27854 [2,0,0,0,0,0|1,0,0]=3 207 B9R1.2 C1=CC(=CC(=C1)N)C=O PI-27126 [2,0,0,0,0,0|1,0,0]=3 208 B9R1.2 C1=CC(=CC(=C1)O)C#N PI-35245 [2,0,0,0,0,0|1,0,1]=4 209 B9R1.2 C1=CC(=CC(=C1)O)CBr PI-43991 [2,0,0,0,0,0|1,0,1]=4 210 B9R1.2 C1=CC(=CC(=C1)O)CO PI-11929 [2,0,0,0,0,0|0,0,2]=4 211 B9R1.2 C1=CC(=NC(=C1)Br)C=O PI-21494 [2,0,0,0,0,0|2,0,0]=4 212 B9R1.2 C=CC1=CC(=CC=C1)Br PI-22598 [2,0,0,0,0,0|2,0,0]=4 213 B9R1.2 C=Cc1cccc(c1)C PI-40767 [2,0,0,0,0,0|1,0,0]=3 214 B9R1.2 CC1=CC(=CC=C1)C=O PI-11938 [2,0,0,0,0,0|0,0,0]=2 215 B9R1.2 CC1=CC(=CC=C1)CN PI-35861 [2,0,0,0,0,0|1,0,1]=4 216 B9R1.2 CC1=CC(=CN=C1)C=O PI-43924 [2,0,0,0,0,0|1,0,0]=3 217 B9R1.2 CC1=NC(=CC=C1)C=C PI-27081 [2,0,0,0,0,0|2,0,0]=4 218 B9R1.2 CC1=NC(=CC=C1)C=O PI-16691 [2,0,0,0,0,0|1,0,0]=3 219 B9R1.2 CC1=NC(=CC=C1)OC PI-10858 [2,0,0,0,0,0|1,0,1]=4 220 B9R1.2 CCC1=CC(=CC=C1)Br PI-21410 [2,0,0,0,0,0|2,0,0]=4 221 B9R1.2 CNc1cccc(c1)F PI-29299 [2,0,0,0,0,0|2,0,0]=4 222 B9R1.2 COC1=CC(=CC=C1)Br PI-12683 [2,0,0,0,0,0|1,0,0]=3 223 B9R1.2 COC1=CC(=CC=C1)S PI-13025 [2,0,0,0,0,0|0,1,0]=3 224 B9R1.2 COC1=CC(=NC=C1)Cl PI-27253 [2,0,0,0,0,0|2,0,0]=4 225 B9R1.2 COC1=CC(=NC=C1)N PI-31930 [2,0,0,0,0,0|2,0,0]=4 226 B9R1.2 COC1=CC(=O)NC=C1 PI-47311 [2,0,0,0,0,0|1,0,0]=3 227 B9R1.2 COC1=CC(Cl)=CC=C1 PI-31362 [2,0,0,0,0,0|1,0,0]=3 228 B9R1.2 COC1=CC(F)=CC=C1 PI-12220 [2,0,0,0,0,0|1,0,0]=3 229 B9R1.2 COC1=NC(=CC=C1)Br PI-34471 [2,0,0,0,0,0|2,0,0]=4 230 B9R1.2 COC1=NC=CC(=C1)I PI-36520 [2,0,0,0,0,0|2,0,0]=4 231 B9R1.2 COc1cc(Br)cnc1 PI-38259 [2,0,0,0,0,0|2,0,0]=4 232 B9R1.2 COc1cc(Cl)ccn1 PI-26867 [2,0,0,0,0,0|2,0,0]=4 233 B9R1.2 COc1cc(N)ccn1 PI-26277 [2,0,0,0,0,0|2,0,0]=4 234 B9R1.2 COc1cc(N)cnc1 PI-33855 [2,0,0,0,0,0|2,0,0]=4 235 B9R1.2 COc1cccc(c1)O PI-34658 [2,0,0,0,0,0|0,0,1]=3 236 B9R1.2 CSC1=CC(=CC=C1)Br PI-11915 [2,0,0,0,0,0|1,1,0]=4 237 B9R1.2 CSC1=CC(=CC=C1)Cl PI-20243 [2,0,0,0,0,0|1,1,0]=4 238 B9R1.2 CSc1cccc(c1)N PI-11908 [2,0,0,0,0,0|1,1,0]=4 239 B9R1.2 Clc1cc(C=O)ncc1 PI-39303 [2,0,0,0,0,0|2,0,0]=4 240 B9R1.2 FC1=NC(=CC=C1)C=O PI-39667 [2,0,0,0,0,0|2,0,0]=4 241 B9R1.2 NNc1cccc(c1)C PI-29814 [2,0,0,0,0,0|2,0,0]=4 242 B9R1.2 O=Cc1cccc(c1)Br PI-34503 [2,0,0,0,0,0|1,0,0]=3 243 B9R1.2 O=Cc1cccc(c1)Cl PI-27742 [2,0,0,0,0,0|1,0,0]=3 244 B9R1.2 O=Cc1cccc(c1)F PI-11925 [2,0,0,0,0,0|1,0,0]=3 245 B9R1.2 O=Cc1cccc(c1)N PI-11906 [2,0,0,0,0,0|1,0,0]=3 246 B9R1.2 O=Cc1cccc(c1)O PI-34273 [2,0,0,0,0,0|0,0,0]=2 247 B9R1.2 O=Cc1ccnc(C)n1 PI-33598 [2,0,0,0,0,0|2,0,0]=4 248 B9R1.2 O=Cc1ccnc(c1)Br PI-27099 [2,0,0,0,0,0|2,0,0]=4 249 B9R1.2 O=Cc1ccnc(c1)Cl PI-31791 [2,0,0,0,0,0|2,0,0]=4 250 B9R1.2 OCc1cccc(c1)C PI-38620 [2,0,0,0,0,0|0,0,2]=4 251 B9R1.15 CCC1=CC=CC=C1Br PI-19276 [2,0,0,0,0,0|2,0,0]=4 252 B9R1.15 CCC1=CC=CC=C1Cl PI-19970 [2,0,0,0,0,0|2,0,0]=4 253 B9R1.15 CCC1=CC=CC=C1I PI-19242 [2,0,0,0,0,0|2,0,0]=4 254 B9R1.15 CCc1ccccc1C PI-36541 [2,0,0,0,0,0|2,0,0]=4 255 B9R1.15 CNC1=CC=CC=C1F PI-28236 [2,0,0,0,0,0|2,0,0]=4 256 B9R1.15 CNC1=CC=CC=C1N PI-23401 [2,0,0,0,0,0|2,0,0]=4 257 B9R1.15 CNC1=CC=CC=C1N PI-28564 [2,0,0,0,0,0|2,0,0]=4 258 B9R1.15 COC1=C(C=CC=N1)Br PI-26112 [2,0,0,0,0,0|2,0,0]=4 259 B9R1.15 COC1=C(C=CC=N1)N PI-24213 [2,0,0,0,0,0|2,0,0]=4 260 B9R1.15 COC1=C(N=CC=C1)I PI-26982 [2,0,0,0,0,0|2,0,0]=4 261 B9R1.15 COC1=CC=CC=C1Br PI-34200 [2,0,0,0,0,0|1,0,0]=3 262 B9R1.15 COC1=CC=CC=C1Cl PI-34199 [2,0,0,0,0,0|1,0,0]=3 263 B9R1.15 COC1=CC=CC=C1F PI-12348 [2,0,0,0,0,0|1,0,0]=3 264 B9R1.15 COC1=CC=CC=C1I PI-50209 [2,0,0,0,0,0|1,0,0]=3 265 B9R1.15 COc1ccc[nH]c1=O PI-26288 [2,0,0,0,0,0|1,0,1]=4 266 B9R1.15 COc1ccccc1S PI-21364 [2,0,0,0,0,0|0,1,0]=3 267 B9R1.15 COc1cccnc1Br PI-26342 [2,0,0,0,0,0|2,0,0]=4 268 B9R1.15 COc1cccnc1Cl PI-27671 [2,0,0,0,0,0|2,0,0]=4 269 B9R1.15 CSC1=CC=CC=C1Br PI-11815 [2,0,0,0,0,0|1,1,0]=4 270 B9R1.15 CSC1=CC=CC=C1Cl PI-11833 [2,0,0,0,0,0|1,1,0]=4 271 B9R1.15 CSC1=CC=CC=C1F PI-11849 [2,0,0,0,0,0|1,1,0]=4 272 B9R1.15 CSC1=CC=CC=C1O PI-20874 [2,0,0,0,0,0|0,1,0]=3 273 B9R1.15 CSc1ccccc1I PI-13705 [2,0,0,0,0,0|1,1,0]=4 274 B9R1.15 N#Cc1ccccc1O PI-11836 [2,0,0,0,0,0|2,0,0]=4 275 B9R1.15 NC1=NC=CC=C1OC PI-39996 [2,0,0,0,0,0|2,0,0]=4 276 B9R1.15 OCc1ccccc1O PI-36548 [2,0,0,0,0,0|2,0,0]=4 277 B9R1.69 Brc1ccc(N)c(C)c1 PI-11003 [2,0,0,0,0,0|2,0,0]=4 278 B9R1.69 Brc1ccc(c(c1)C)I PI-21533 [2,0,0,0,0,0|2,0,0]=4 279 B9R1.69 Brc1ccc(c(c1)F)O PI-31106 [2,0,0,0,0,0|2,0,0]=4 280 B9R1.69 Brc1ccc(c(c1)O)F PI-33069 [2,0,0,0,0,0|2,0,0]=4 281 B9R1.69 C1=C(C(=CC=C1Br)O)C PI-22157 [2,0,0,0,0,0|1,0,0]=3 282 B9R1.69 C1=C(C(=CC=C1F)O)C PI-16986 [2,0,0,0,0,0|1,0,0]=3 283 B9R1.69 C1=C(C(=CNC1=O)Cl)O PI-33382 [2,0,0,0,0,0|2,0,0]=4 284 B9R1.69 C1=CC(=C(C=C1Br)N)O PI-33346 [2,0,0,0,0,0|2,0,0]=4 285 B9R1.69 C1=CC(=C(C=C1Br)O)Cl PI-32432 [2,0,0,0,0,0|2,0,0]=4 286 B9R1.69 C1=CC(=C(C=C1Cl)Br)O PI-33867 [2,0,0,0,0,0|2,0,0]=4 287 B9R1.69 C1=CC(=C(C=C1Cl)F)O PI-28420 [2,0,0,0,0,0|2,0,0]=4 288 B9R1.69 C1=CC(=C(C=C1Cl)O)Br PI-34266 [2,0,0,0,0,0|2,0,0]=4 289 B9R1.69 C1=CC(=C(C=C1Cl)O)N PI-11790 [2,0,0,0,0,0|2,0,0]=4 290 B9R1.69 C1=CC(=C(C=C1F)Cl)O PI-16901 [2,0,0,0,0,0|2,0,0]=4 291 B9R1.69 C1=CC(=C(C=C1F)F)O PI-16940 [2,0,0,0,0,0|2,0,0]=4 292 B9R1.69 C1=CC(=C(C=C1F)O)N PI-28627 [2,0,0,0,0,0|2,0,0]=4 293 B9R1.69 C1=CC(=C(C=C1I)F)O PI-43132 [2,0,0,0,0,0|2,0,0]=4 294 B9R1.69 C1=CC(=O)C(=CC1=O)Cl PI-17305 [2,0,0,0,0,0|1,0,1]=4 295 B9R1.69 CC1=C(C=C(C=C1)Cl)O PI-28617 [2,0,0,0,0,0|2,0,0]=4 296 B9R1.69 CC1=C(C=C(C=C1)F)C PI-11592 [2,0,0,0,0,0|2,0,0]=4 297 B9R1.69 CC1=C(C=C(C=C1)N)O PI-11314 [2,0,0,0,0,0|2,0,0]=4 298 B9R1.69 CC1=C(C=C(C=C1)S)C PI-11009 [2,0,0,0,0,0|1,1,0]=4 299 B9R1.69 CC1=C(C=CC(=C1)Br)Cl PI-20675 [2,0,0,0,0,0|2,0,0]=4 300 B9R1.69 CC1=C(C=CC(=C1)Br)F PI-31216 [2,0,0,0,0,0|2,0,0]=4 301 B9R1.69 CC1=C(C=CC(=C1)Cl)F PI-28542 [2,0,0,0,0,0|2,0,0]=4 302 B9R1.69 CC1=C(C=CC(=C1)Cl)N PI-34323 [2,0,0,0,0,0|2,0,0]=4 303 B9R1.69 CC1=C(C=CC(=C1)Cl)O PI-11333 [2,0,0,0,0,0|1,0,0]=3 304 B9R1.69 CC1=C(C=CC(=C1)F)Br PI-16983 [2,0,0,0,0,0|2,0,0]=4 305 B9R1.69 CC1=C(C=CC(=C1)F)Cl PI-16931 [2,0,0,0,0,0|2,0,0]=4 306 B9R1.69 CC1=C(C=CC(=C1)F)F PI-28543 [2,0,0,0,0,0|2,0,0]=4 307 B9R1.69 CC1=C(C=CC(=C1)F)I PI-10678 [2,0,0,0,0,0|2,0,0]=4 308 B9R1.69 CC1=C(C=CC(=C1)F)N PI-16985 [2,0,0,0,0,0|2,0,0]=4 309 B9R1.69 CC1=C(C=CC(=C1)I)Cl PI-19072 [2,0,0,0,0,0|2,0,0]=4 310 B9R1.69 CC1=C(C=CC(=C1)I)F PI-10673 [2,0,0,0,0,0|2,0,0]=4 311 B9R1.69 CC1=C(C=CC(=C1)I)N PI-30113 [2,0,0,0,0,0|2,0,0]=4 312 B9R1.69 CC1=C(C=CC(=C1)N)Cl PI-24577 [2,0,0,0,0,0|2,0,0]=4 313 B9R1.69 CC1=C(C=CC(=C1)N)F PI-16984 [2,0,0,0,0,0|2,0,0]=4 314 B9R1.69 CC1=C(C=CC(=C1)N)O PI-10082 [2,0,0,0,0,0|1,0,0]=3 315 B9R1.69 CC1=C(C=CC(=C1)O)F PI-10655 [2,0,0,0,0,0|1,0,1]=4 316 B9R1.69 CC1=C(C=CC(=C1)O)N PI-11473 [2,0,0,0,0,0|1,0,1]=4 317 B9R1.69 CC1=C(C=CC(=C1)S)F PI-23789 [2,0,0,0,0,0|1,1,0]=4 318 B9R1.69 CC1=CC(=C(C=C1)C)O PI-33176 [2,0,0,0,0,0|1,0,1]=4 319 B9R1.69 CC1=CC(=C(C=C1)Cl)C PI-24680 [2,0,0,0,0,0|1,0,1]=4 320 B9R1.69 CC1=CC(=C(C=C1)Cl)O PI-42096 [2,0,0,0,0,0|1,0,1]=4 321 B9R1.69 CC1=CC(=C(C=C1)F)O PI-10653 [2,0,0,0,0,0|1,0,1]=4 322 B9R1.69 CC1=CC(=C(C=C1)N)C PI-27338 [2,0,0,0,0,0|1,0,1]=4 323 B9R1.69 CC1=CC(=C(C=C1)N)O PI-28344 [2,0,0,0,0,0|1,0,1]=4 324 B9R1.69 CC1=CC(=C(C=C1)O)Cl PI-19823 [2,0,0,0,0,0|1,0,1]=4 325 B9R1.69 CC1=CC(=C(C=C1)O)N PI-44624 [2,0,0,0,0,0|1,0,1]=4 326 B9R1.69 CC1=CC(=C(C=C1)S)C PI-21999 [2,0,0,0,0,0|0,1,1]=4 327 B9R1.69 CC1=NC(=C(C=C1)O)C PI-21953 [2,0,0,0,0,0|1,0,1]=4 328 B9R1.69 Cc1ccc(c(c1)C)Br PI-38906 [2,0,0,0,0,0|1,0,1]=4 329 B9R1.69 Cc1ccc(c(c1)O)O PI-11188 [2,0,0,0,0,0|0,0,1]=3 330 B9R1.69 ClC1=CC(=C(C=C1)F)O PI-10650 [2,0,0,0,0,0|2,0,0]=4 331 B9R1.69 Clc1ccc(c(c1)C)Br PI-20669 [2,0,0,0,0,0|2,0,0]=4 332 B9R1.69 Clc1ccc(c(c1)C)C PI-11593 [2,0,0,0,0,0|2,0,0]=4 333 B9R1.69 Clc1ccc(c(c1)C)I PI-30351 [2,0,0,0,0,0|2,0,0]=4 334 B9R1.69 Clc1ccc(c(c1)O)O PI-11978 [2,0,0,0,0,0|1,0,0]=3 335 B9R1.69 Fc1ccc(S)c(C)c1 PI-23788 [2,0,0,0,0,0|1,1,0]=4 336 B9R1.69 Fc1ccc(c(c1)Br)O PI-21470 [2,0,0,0,0,0|2,0,0]=4 337 B9R1.69 Fc1ccc(c(c1)N)O PI-15926 [2,0,0,0,0,0|2,0,0]=4 338 B9R1.69 Fc1ccc(c(c1)O)Br PI-31067 [2,0,0,0,0,0|2,0,0]=4 339 B9R1.69 Fc1ccc(c(c1)O)C PI-10656 [2,0,0,0,0,0|2,0,0]=4 340 B9R1.69 Fc1ccc(c(c1)O)Cl PI-10649 [2,0,0,0,0,0|2,0,0]=4 341 B9R1.69 Fc1ccc(c(c1)O)F PI-16913 [2,0,0,0,0,0|2,0,0]=4 342 B9R1.69 Fc1ccc(c(c1)O)O PI-16942 [2,0,0,0,0,0|1,0,0]=3 343 B9R1.69 IC1=CC(O)=C(Cl)C=C1 PI-46497 [2,0,0,0,0,0|2,0,0]=4 344 B9R1.69 Ic1ccc(Br)c(C)c1 PI-21531 [2,0,0,0,0,0|2,0,0]=4 345 B9R1.69 Nc1ccc(Br)c(C)c1 PI-21584 [2,0,0,0,0,0|2,0,0]=4 346 B9R1.69 Nc1ccc(C)c(O)c1 PI-11313 [2,0,0,0,0,0|2,0,0]=4 347 B9R1.69 Nc1ccc(O)c(Cl)c1 PI-11818 [2,0,0,0,0,0|2,0,0]=4 348 B9R1.69 Nc1ccc(O)c(F)c1 PI-28497 [2,0,0,0,0,0|2,0,0]=4 349 B9R1.69 Nc1ccc(c(c1)C)N PI-19993 [2,0,0,0,0,0|2,0,0]=4 350 B9R1.69 OC1=CC(Cl)=CC=C1I PI-40949 [2,0,0,0,0,0|2,0,0]=4 351 B9R1.69 OC1=CC=C(Br)C=C1O PI-37116 [2,0,0,0,0,0|1,0,0]=3 352 B9R1.69 OC1=CC=C(C)C=C1Br PI-14476 [2,0,0,0,0,0|1,0,1]=4 353 B9R1.69 OC1=CC=C(N)C=C1N PI-32464 [2,0,0,0,0,0|2,0,0]=4 354 B9R1.69 Oc1cc(Cl)ccc1Cl PI-34659 [2,0,0,0,0,0|2,0,0]=4 355 B9R1.69 Oc1ccc(Br)c(O)c1 PI-28737 [2,0,0,0,0,0|1,0,1]=4 356 B9R1.69 Oc1ccc(C)c(C)c1 PI-34164 [2,0,0,0,0,0|1,0,1]=4 357 B9R1.69 Oc1ccc(c(c1)C)Br PI-14477 [2,0,0,0,0,0|1,0,1]=4 358 B9R1.69 Oc1ccc(c(c1)O)C PI-19649 [2,0,0,0,0,0|1,0,1]=4 359 B9R1.69 Oc1ccc(c(c1)O)F PI-10442 [2,0,0,0,0,0|1,0,1]=4 360 B9R1.69 Oc1ccc(c(c1)O)O PI-31220 [2,0,0,0,0,0|0,0,1]=3 361 B9R1.69 Sc1ccc(c(c1)C)O PI-18459 [2,0,0,0,0,0|0,1,0]=3 362 B9R1.1 C1=CC(=CC=C1C=O)Cl PI-34386 [2,0,0,0,0,0|1,0,0]=3 363 B9R1.1 C1=CC(=CC=C1C=O)F PI-33068 [2,0,0,0,0,0|1,0,0]=3 364 B9R1.1 C1=CC(=CC=C1CN)O PI-20736 [2,0,0,0,0,0|1,0,1]=4 365 B9R1.1 C1=CC(=NC=C1C=O)Br PI-35910 [2,0,0,0,0,0|2,0,0]=4 366 B9R1.1 C1=CC(=NC=C1C=O)Cl PI-41221 [2,0,0,0,0,0|2,0,0]=4 367 B9R1.1 C1=CC(=NC=C1O)C=O PI-40986 [2,0,0,0,0,0|1,0,0]=3 368 B9R1.1 C=Cc1ccc(cc1)Br PI-22599 [2,0,0,0,0,0|2,0,0]=4 369 B9R1.1 C=Cc1ccc(cc1)Cl PI-38314 [2,0,0,0,0,0|2,0,0]=4 370 B9R1.1 C=Cc1ccc(cc1)N PI-17562 [2,0,0,0,0,0|2,0,0]=4 371 B9R1.1 CC1=NC=C(C=C1)C=O PI-48154 [2,0,0,0,0,0|2,0,0]=4 372 B9R1.1 COc1ccc(cc1)O PI-31355 [2,0,0,0,0,0|2,0,0]=4 373 B9R1.1 CSc1ccc(cc1)O PI-18075 [2,0,0,0,0,0|2,0,0]=4 374 B9R1.1 N#Cc1ccc(cc1)O PI-35246 [2,0,0,0,0,0|1,0,1]=4 375 B9R1.1 O=CC1=CC=C(N)N=C1 PI-37351 [2,0,0,0,0,0|2,0,0]=4 376 B9R1.1 O=CC1=NC=C(F)C=C1 PI-37201 [2,0,0,0,0,0|2,0,0]=4 377 B9R1.1 O=Cc1ccc(Br)cc1 PI-12729 [2,0,0,0,0,0|1,0,0]=3 378 B9R1.1 O=Cc1ccc(cc1)I PI-27209 [2,0,0,0,0,0|1,0,0]=3 379 B9R1.1 O=Cc1ccc(cc1)O PI-37802 [2,0,0,0,0,0|0,0,0]=2 380 B9R1.1 OCc1ccc(cc1)O PI-29788 [2,0,0,0,0,0|0,0,2]=4 381 B11R1.8 CC1=CC(=C(C(=C1)OC)C)C PI-19293 [1,1,0,0,0,0|1,0,1]=4 382 B11R1.8 COC1=C(C(=CC(=C1)Br)F)F PI-21622 [1,1,0,0,0,0|2,0,0]=4 383 B11R1.8 COC1=CC(=CC(=C1Cl)F)Br PI-43262 [1,1,0,0,0,0|2,0,0]=4 384 B11R1.37 CC1=CC(=C(C=C1)OC)OC PI-23359 [1,1,0,0,0,0|0,0,1]=3 385 B11R1.37 COC1=C(C=C(C=C1)F)OC PI-23227 [1,1,0,0,0,0|1,0,0]=3 386 B11R1.37 COC1=C(C=C(C=C1)S)OC PI-21358 [1,1,0,0,0,0|0,1,0]=3 387 B11R1.37 COC1=C(C=CC(=C1)F)C#N PI-23714 [1,1,0,0,0,0|2,0,0]=4 388 B11R1.37 COc1cc(Br)ccc1OC PI-21655 [1,1,0,0,0,0|1,0,0]=3 389 B11R1.37 COc1cc(F)ccc1C=O PI-38318 [1,1,0,0,0,0|1,0,1]=4 390 B11R1.37 COc1cc(I)ccc1OC PI-23242 [1,1,0,0,0,0|1,0,0]=3 391 B11R1.37 COc1cc(N)ccc1C#N PI-38838 [1,1,0,0,0,0|2,0,0]=4 392 B11R1.37 COc1cc(N)ccc1OC PI-23186 [1,1,0,0,0,0|1,0,0]=3 393 B11R1.37 COc1cc(O)ccc1C=O PI-11990 [1,1,0,0,0,0|0,0,2]=4 394 B11R1.37 COc1cc(O)ccc1OC PI-28261 [1,1,0,0,0,0|0,0,1]=3 395 B11R1.72 COC1=C(C=CC(=C1F)F)Br PI-42641 [1,1,0,0,0,0|2,0,0]=4 396 B11R1.72 COC1=C(C=CC(=C1F)F)F PI-10734 [1,1,0,0,0,0|2,0,0]=4 397 B11R1.167 CC(=O)C1=C(C=CC(=C1)Br)O PI-15407 [1,1,0,0,0,0|2,0,0]=4 398 B11R1.167 CC(=O)C1=C(C=CC(=C1)Cl)O PI-11257 [1,1,0,0,0,0|2,0,0]=4 399 B11R1.167 CC(=O)C1=C(C=CC(=C1)F)O PI-16161 [1,1,0,0,0,0|2,0,0]=4 400 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)C PI-16152 [1,1,0,0,0,0|1,0,1]=4 401 B11R1.167 OC1=CC=C(Br)C=C1C(C)C PI-37179 [1,1,0,0,0,0|2,0,0]=4 402 B11R1.167 Oc1ccc(O)c(c1)C(=O)C PI-31206 [1,1,0,0,0,0|1,0,1]=4 403 B11R1.182 CCOC1=C(C=CC(=C1)N)Br PI-16386 [1,1,0,0,0,0|2,0,0]=4 404 B11R1.277 COC1=CC(=C(C=C1F)Br)F PI-21620 [1,1,0,0,0,0|2,0,0]=4 405 B11R1.277 COC1=CC(=C(C=C1N)F)Br PI-40953 [1,1,0,0,0,0|2,0,0]=4 406 B11R1.277 COC1=CC(=O)C(=CC1=O)O PI-20787 [1,1,0,0,0,0|0,0,1]=3 407 B11R1.277 COc1cc(Br)c(F)cc1Cl PI-31695 [1,1,0,0,0,0|2,0,0]=4 408 B11R1.277 COc1cc(N)c(Cl)cc1Cl PI-36533 [1,1,0,0,0,0|2,0,0]=4 409 B11R1.9 C1=C(C=C(C=C1C=O)Br)C=O PI-39264 [1,1,0,0,0,0|2,0,0]=4 410 B11R1.9 CC1=CC(=CC(=C1)OC)OC PI-23360 [1,1,0,0,0,0|2,0,0]=4 411 B11R1.9 COC1=CC(=CC(=C1)C#N)F PI-10705 [1,1,0,0,0,0|1,0,1]=4 412 B11R1.9 COC1=CC(=CC(=C1)Cl)OC PI-34241 [1,1,0,0,0,0|2,0,0]=4 413 B11R1.9 COC1=CC(=CC(=C1)N)OC PI-24022 [1,1,0,0,0,0|2,0,0]=4 414 B11R1.9 COC1=CC(C=O)=CC(C)=C1 PI-42609 [1,1,0,0,0,0|0,0,0]=2 415 B11R1.9 COc1cc(C=O)cc(c1)F PI-34291 [1,1,0,0,0,0|0,0,0]=2 416 B11R1.9 COc1cc(OC)cc(c1)I PI-38256 [1,1,0,0,0,0|2,0,0]=4 417 B11R1.9 COc1cc(OC)cc(c1)O PI-27638 [1,1,0,0,0,0|2,0,0]=4 418 B11R1.189 CCOC1=CC=CC(=C1)C=O PI-27357 [1,1,0,0,0,0|0,0,0]=2 419 B11R1.189 COC1=CC=CC(=C1)N=C=O PI-11427 [1,1,0,0,0,0|0,0,1]=3 420 B11R1.189 COC1=CC=CC(=C1)N=C=S PI-46943 [1,1,0,0,0,0|0,1,1]=4 421 B11R1.189 N#CCc1cccc(c1)OC PI-11344 [1,1,0,0,0,0|1,0,1]=4 422 B11R1.189 NCCc1cccc(OC)c1 PI-31712 [1,1,0,0,0,0|1,0,1]=4 423 B11R1.266 B(C1=CC(=CC=C1)OC)(O)O PI-16835 [1,1,0,0,0,0|1,0,1]=4 424 B11R1.266 C1=CC(=CC(=C1)C(=N)N)C=O PI-30727 [1,1,0,0,0,0|2,0,0]=4 425 B11R1.266 C1=CC(=CC(=C1)C(=O)Cl)CCl PI-35901 [1,1,0,0,0,0|2,0,0]=4 426 B11R1.266 C1=CC(=CC(=C1)C(=O)O)C#N PI-16124 [1,1,0,0,0,0|2,0,0]=4 427 B11R1.266 C1=CC(=CC(=C1)C(=O)O)CCl PI-27471 [1,1,0,0,0,0|2,0,0]=4 428 B11R1.266 C1=CC(=CC(=C1)C(=O)O)CN PI-30963 [1,1,0,0,0,0|2,0,0]=4 429 B11R1.266 C1=CC(=CC(=C1)C(=O)O)CN PI-33743 [1,1,0,0,0,0|2,0,0]=4 430 B11R1.266 CC(=O)C1=CC(=CC=C1)OC PI-44646 [1,1,0,0,0,0|0,0,0]=2 431 B11R1.266 CC(=O)C1=CC=CC(=C1)CCl PI-16155 [1,1,0,0,0,0|2,0,0]=4 432 B11R1.266 CC(C)C1=NC=CC(=C1)C=O PI-44045 [1,1,0,0,0,0|2,0,0]=4 433 B11R1.266 CCC1=CC(=CC=C1)C(=O)C PI-22041 [1,1,0,0,0,0|1,0,0]=3 434 B11R1.266 CN(C)C1=CC(=CC=C1)OC PI-48688 [1,1,0,0,0,0|2,0,0]=4 435 B11R1.266 COC1=CC(=NC=C1)C(=O)N PI-26971 [1,1,0,0,0,0|1,0,0]=3 436 B11R1.266 COC1=CC(=NC=C1)C(=O)O PI-26085 [1,1,0,0,0,0|1,0,0]=3 437 B11R1.266 COC1=CC=CC(=C1)C(=O)Cl PI-50560 [1,1,0,0,0,0|0,0,0]=2 438 B11R1.266 COC1=CC=CC(=C1)C(=O)O PI-33400 [1,1,0,0,0,0|0,0,0]=2 439 B11R1.266 COC1=CC=CC(=N1)C(=O)O PI-28329 [1,1,0,0,0,0|1,0,0]=3 440 B11R1.266 COC1=CN=CC(=C1)C(=O)O PI-39997 [1,1,0,0,0,0|1,0,0]=3 441 B11R1.266 COC1=NC=CC(=C1)C(=O)O PI-28037 [1,1,0,0,0,0|1,0,0]=3 442 B11R1.266 COc1cccc(c1)C(=O)N PI-30738 [1,1,0,0,0,0|0,0,0]=2 443 B11R1.266 COc1cccc(c1)[N+](=O)[O-] PI-29700 [1,1,0,0,0,0|1,0,0]=3 444 B11R1.266 COc1ccnc(c1)C(=O)O PI-26532 [1,1,0,0,0,0|1,0,0]=3 445 B11R1.266 N#Cc1cccc(c1)C(=O)C PI-29763 [1,1,0,0,0,0|2,0,0]=4 446 B11R1.266 NCc1cccc(c1)C(=O)N PI-38245 [1,1,0,0,0,0|2,0,0]=4 447 B11R1.266 O=Cc1cccc(c1)B(O)O PI-16428 [1,1,0,0,0,0|2,0,0]=4 448 B11R1.266 O=Cc1cccc(c1)C(=O)O PI-31248 [1,1,0,0,0,0|2,0,0]=4 449 B11R1.266 O=Cc1cccc(c1)[N+](=O)[O-] PI-34272 [1,1,0,0,0,0|2,0,0]=4 450 B11R1.266 OCC1=CC=CC(=C1)C(O)=O PI-42488 [1,1,0,0,0,0|2,0,0]=4 451 B11R1.267 C1=CC(=C(C(=C1)C=O)Cl)CF PI-13378 [1,1,0,0,0,0|2,0,0]=4 452 B11R1.267 COC1=C(C(=CC=C1)OC)Br PI-34350 [1,1,0,0,0,0|2,0,0]=4 453 B11R1.267 COC1=C(C(=CC=C1)OC)N PI-21281 [1,1,0,0,0,0|2,0,0]=4 454 B11R1.267 COC1=CC=CC(=C1F)C=O PI-27049 [1,1,0,0,0,0|0,0,0]=2 455 B11R1.267 O=Cc1cccc(c1Br)C=O PI-35264 [1,1,0,0,0,0|2,0,0]=4 456 B11R1.14 C1=C(C=C(C(=C1Br)O)Br)C=O PI-16091 [1,1,0,0,0,0|1,0,0]=3 457 B11R1.14 C1=C(C=C(C(=C1Cl)O)Cl)C=O PI-27364 [1,1,0,0,0,0|1,0,0]=3 458 B11R1.14 C1=C(C=C(C(=C1F)O)F)C=O PI-26072 [1,1,0,0,0,0|1,0,0]=3 459 B11R1.14 C1=C(C=C(C(=C1O)O)O)C=O PI-27152 [1,1,0,0,0,0|0,0,0]=2 460 B11R1.14 CC1=CC(=CC(=C1Br)C)C=O PI-12464 [1,1,0,0,0,0|1,0,0]=3 461 B11R1.14 CC1=CC(=CC(=C1O)C)C=O PI-18354 [1,1,0,0,0,0|0,0,0]=2 462 B11R1.14 CC1=CC(=CC(=C1O)C)N=O PI-28113 [1,1,0,0,0,0|1,0,0]=3 463 B11R1.14 N#Cc1cc(C)c(c(c1)C)O PI-27581 [1,1,0,0,0,0|1,0,1]=4 464 B11R1.14 O=Cc1cc(F)c(F)c(F)c1 PI-28109 [1,1,0,0,0,0|2,0,0]=4 465 B11R1.14 O=Cc1cc(I)c(O)c(I)c1 PI-27307 [1,1,0,0,0,0|1,0,0]=3 466 B11R1.14 O=Cc1cc(O)c(c(c1)O)O PI-27325 [1,1,0,0,0,0|0,0,0]=2 467 B11R1.21 B(C1=CC(=C(C=C1)O)C)(O)O PI-49991 [1,1,0,0,0,0|1,0,1]=4 468 B11R1.21 C1=C(C(=CC=C1C(=O)O)C)N PI-31125 [1,1,0,0,0,0|2,0,0]=4 469 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)Br)F PI-14433 [1,1,0,0,0,0|2,0,0]=4 470 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)Cl)Cl PI-34219 [1,1,0,0,0,0|2,0,0]=4 471 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)Cl)F PI-34234 [1,1,0,0,0,0|2,0,0]=4 472 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)F)F PI-32220 [1,1,0,0,0,0|2,0,0]=4 473 B11R1.21 C1=CC(=C(C=C1C(=O)N)Cl)Cl PI-30402 [1,1,0,0,0,0|2,0,0]=4 474 B11R1.21 C1=CC(=C(C=C1C(=O)N)N)Cl PI-24201 [1,1,0,0,0,0|2,0,0]=4 475 B11R1.21 C1=CC(=C(C=C1C(=O)N)O)O PI-11250 [1,1,0,0,0,0|0,0,0]=2 476 B11R1.21 C1=CC(=C(C=C1C(=O)O)Br)O PI-10053 [1,1,0,0,0,0|1,0,0]=3 477 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)F PI-16072 [1,1,0,0,0,0|2,0,0]=4 478 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)N PI-32812 [1,1,0,0,0,0|2,0,0]=4 479 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)O PI-19535 [1,1,0,0,0,0|1,0,0]=3 480 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)Br PI-16062 [1,1,0,0,0,0|2,0,0]=4 481 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)N PI-30637 [1,1,0,0,0,0|2,0,0]=4 482 B11R1.21 C1=CC(=C(C=C1C(=O)O)I)O PI-50668 [1,1,0,0,0,0|1,0,0]=3 483 B11R1.21 C1=CC(=C(C=C1C(=O)O)N)F PI-16994 [1,1,0,0,0,0|2,0,0]=4 484 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)F PI-23589 [1,1,0,0,0,0|1,0,0]=3 485 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)I PI-33357 [1,1,0,0,0,0|1,0,0]=3 486 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)N PI-30353 [1,1,0,0,0,0|1,0,0]=3 487 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])I)O PI-29966 [1,1,0,0,0,0|2,0,0]=4 488 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])O)Cl PI-28691 [1,1,0,0,0,0|2,0,0]=4 489 B11R1.21 CC(=O)C1=CC(=C(C=C1)Br)F PI-43296 [1,1,0,0,0,0|2,0,0]=4 490 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)Cl PI-29417 [1,1,0,0,0,0|2,0,0]=4 491 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)F PI-30165 [1,1,0,0,0,0|2,0,0]=4 492 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)Br PI-12717 [1,1,0,0,0,0|2,0,0]=4 493 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)F PI-28452 [1,1,0,0,0,0|2,0,0]=4 494 B11R1.21 CC(=O)c1ccc(Cl)c(C)c1 PI-29523 [1,1,0,0,0,0|1,0,0]=3 495 B11R1.21 CC(=O)c1ccc(F)c(Cl)c1 PI-16917 [1,1,0,0,0,0|2,0,0]=4 496 B11R1.21 CC(=O)c1ccc(c(c1)C)O PI-29955 [1,1,0,0,0,0|0,0,0]=2 497 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O PI-30431 [1,1,0,0,0,0|1,0,0]=3 498 B11R1.21 CC(=O)c1ccc(c(c1)F)O PI-23584 [1,1,0,0,0,0|1,0,0]=3 499 B11R1.21 CC(C1=CC=C(O)C(O)=C1)=O PI-29084 [1,1,0,0,0,0|0,0,0]=2 500 B11R1.21 CC1=C(C=C(C=C1)C(=O)C)Br PI-30577 [1,1,0,0,0,0|2,0,0]=4 501 B11R1.21 CC1=C(C=C(C=C1)C(=O)C)O PI-10230 [1,1,0,0,0,0|1,0,0]=3 502 B11R1.21 CC1=C(C=C(C=C1)C(=O)Cl)C PI-23822 [1,1,0,0,0,0|1,0,0]=3 503 B11R1.21 CC1=C(C=C(C=C1)C(=O)Cl)F PI-23749 [1,1,0,0,0,0|2,0,0]=4 504 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)C PI-30714 [1,1,0,0,0,0|1,0,0]=3 505 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)F PI-23731 [1,1,0,0,0,0|2,0,0]=4 506 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)N PI-30259 [1,1,0,0,0,0|2,0,0]=4 507 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)C PI-27799 [1,1,0,0,0,0|1,0,0]=3 508 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)F PI-31159 [1,1,0,0,0,0|2,0,0]=4 509 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)I PI-31314 [1,1,0,0,0,0|2,0,0]=4 510 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)O PI-10215 [1,1,0,0,0,0|1,0,0]=3 511 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])O PI-28629 [1,1,0,0,0,0|2,0,0]=4 512 B11R1.21 CC1=C(C=CC(=C1)C(=O)C)F PI-30538 [1,1,0,0,0,0|1,0,0]=3 513 B11R1.21 CC1=C(C=CC(=C1)C(=O)Cl)F PI-23750 [1,1,0,0,0,0|1,0,0]=3 514 B11R1.21 CC1=C(C=CC(=C1)C(=O)N)Br PI-30206 [1,1,0,0,0,0|1,0,0]=3 515 B11R1.21 CC1=C(C=CC(=C1)C(=O)N)N PI-35808 [1,1,0,0,0,0|1,0,0]=3 516 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Br PI-22129 [1,1,0,0,0,0|1,0,0]=3 517 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl PI-31518 [1,1,0,0,0,0|1,0,0]=3 518 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)F PI-23746 [1,1,0,0,0,0|1,0,0]=3 519 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)O PI-20807 [1,1,0,0,0,0|0,0,0]=2 520 B11R1.21 CC1=C(C=CC(=C1)[N+](=O)[O-])Br PI-22210 [1,1,0,0,0,0|2,0,0]=4 521 B11R1.21 CC1=C(C=CC(=C1)[N+](=O)[O-])F PI-31201 [1,1,0,0,0,0|2,0,0]=4 522 B11R1.21 CC1=C(C=CC(=C1)[N+](=O)[O-])I PI-26715 [1,1,0,0,0,0|2,0,0]=4 523 B11R1.21 CC1=C(C=CC(=C1)[N+](=O)[O-])O PI-42105 [1,1,0,0,0,0|1,0,0]=3 524 B11R1.21 CC1=C(C=CC(=N1)C(=O)O)F PI-34875 [1,1,0,0,0,0|2,0,0]=4 525 B11R1.21 ClC(=O)c1ccc(C)c(Br)c1 PI-22136 [1,1,0,0,0,0|2,0,0]=4 526 B11R1.21 O=C(N)C1=CC=C(F)C(C)=C1 PI-23732 [1,1,0,0,0,0|1,0,0]=3 527 B11R1.21 O=C(N)C1=CC=C(F)C(Cl)=C1 PI-20058 [1,1,0,0,0,0|2,0,0]=4 528 B11R1.21 O=C(N)C1=CC=C(F)C(F)=C1 PI-30958 [1,1,0,0,0,0|2,0,0]=4 529 B11R1.21 OC(=O)C1=CC(I)=C(Br)C=C1 PI-39647 [1,1,0,0,0,0|2,0,0]=4 530 B11R1.21 OC(=O)c1ccc(C)c(Cl)c1 PI-30672 [1,1,0,0,0,0|2,0,0]=4 531 B11R1.21 OC(=O)c1ccc(Cl)c(F)c1 PI-16071 [1,1,0,0,0,0|2,0,0]=4 532 B11R1.21 OC(=O)c1ccc(N)c(C)c1 PI-27395 [1,1,0,0,0,0|1,0,0]=3 533 B11R1.21 OC(=O)c1ccc(O)c(N)c1 PI-10926 [1,1,0,0,0,0|1,0,0]=3 534 B11R1.21 OC(=O)c1ccc(O)c(O)c1 PI-20424 [1,1,0,0,0,0|0,0,0]=2 535 B11R1.21 OC(=O)c1ccc(c(c1)Br)C PI-30921 [1,1,0,0,0,0|2,0,0]=4 536 B11R1.21 OC(=O)c1ccc(c(c1)Br)Cl PI-14390 [1,1,0,0,0,0|2,0,0]=4 537 B11R1.21 OC(=O)c1ccc(c(c1)Br)F PI-16063 [1,1,0,0,0,0|2,0,0]=4 538 B11R1.21 OC(=O)c1ccc(c(c1)F)F PI-10196 [1,1,0,0,0,0|2,0,0]=4 539 B11R1.21 OC(=O)c1ccc(c(c1)F)O PI-23588 [1,1,0,0,0,0|1,0,0]=3 540 B11R1.21 OC(=O)c1ccc(c(c1)N)Cl PI-10214 [1,1,0,0,0,0|2,0,0]=4 541 B11R1.21 OC(=O)c1ccc(c(c1)N)N PI-27800 [1,1,0,0,0,0|2,0,0]=4 542 B11R1.21 OC(=O)c1ccc(c(c1)O)Cl PI-19468 [1,1,0,0,0,0|1,0,0]=3 543 B11R1.21 OC(=O)c1ccc(c(c1)S)N PI-27183 [1,1,0,0,0,0|1,1,0]=4 544 B11R1.21 OC(=O)c1cnc(c(c1)Br)O PI-35284 [1,1,0,0,0,0|2,0,0]=4 545 B11R1.21 OC(=O)c1cnc(c(c1)I)O PI-39189 [1,1,0,0,0,0|2,0,0]=4 546 B11R1.21 [O-][N+](=O)c1ccc(Cl)c(C)c1 PI-32802 [1,1,0,0,0,0|2,0,0]=4 547 B11R1.21 [O-][N+](=O)c1ccc(O)c(Br)c1 PI-29720 [1,1,0,0,0,0|2,0,0]=4 548 B11R1.21 [O-][N+](=O)c1ccc(O)c(F)c1 PI-28507 [1,1,0,0,0,0|2,0,0]=4 549 B11R1.21 [O-][N+](=O)c1ccc(c(c1)Cl)O PI-29782 [1,1,0,0,0,0|2,0,0]=4 550 B11R1.21 [O-][N+](=O)c1ccc(c(c1)N)O PI-26997 [1,1,0,0,0,0|2,0,0]=4 551 B11R1.21 [O-][N+](=O)c1ccc(c(c1)O)Br PI-38213 [1,1,0,0,0,0|2,0,0]=4 552 B11R1.21 [O-][N+](=O)c1ccc(c(c1)O)F PI-34727 [1,1,0,0,0,0|2,0,0]=4 553 B11R1.192 C1=CC(=C(C=C1C=NO)O)O PI-27491 [1,1,0,0,0,0|0,0,1]=3 554 B11R1.192 C1=CC(=C(C=C1CCO)O)O PI-27061 [1,1,0,0,0,0|0,0,2]=4 555 B11R1.192 C=CCC1=CC(=C(C=C1)O)O PI-41465 [1,1,0,0,0,0|1,0,0]=3 556 B11R1.192 C=CCc1ccc(F)c(C)c1 PI-23775 [1,1,0,0,0,0|2,0,0]=4 557 B11R1.278 C1=CC(=C(C(=C1C=O)Cl)Cl)O PI-26196 [1,1,0,0,0,0|1,0,0]=3 558 B11R1.278 C1=CC(=C(C(=C1C=O)F)Cl)F PI-26094 [1,1,0,0,0,0|2,0,0]=4 559 B11R1.278 C1=CC(=C(C(=C1C=O)F)F)F PI-28190 [1,1,0,0,0,0|2,0,0]=4 560 B11R1.278 CC1=C(C(=C(C=C1)C=O)C)F PI-26591 [1,1,0,0,0,0|2,0,0]=4 561 B11R1.278 CC1=C(C=CC(=C1O)C=O)O PI-33979 [1,1,0,0,0,0|0,0,0]=2 562 B11R1.278 O=Cc1ccc(C)c(F)c1F PI-27391 [1,1,0,0,0,0|2,0,0]=4 563 B11R1.278 O=Cc1ccc(O)c(O)c1O PI-16094 [1,1,0,0,0,0|0,0,0]=2 564 B11R1.279 CC1=C(C=CC(=C1)C=O)OC PI-16554 [1,1,0,0,0,0|0,0,0]=2 565 B11R1.279 CC1=C(C=CC(=C1)OC)OC PI-33344 [1,1,0,0,0,0|2,0,0]=4 566 B11R1.279 COC1=C(C=C(C=C1)C#N)O PI-34038 [1,1,0,0,0,0|1,0,1]=4 567 B11R1.279 COC1=C(C=C(C=C1)C=O)Br PI-18486 [1,1,0,0,0,0|1,0,0]=3 568 B11R1.279 COC1=C(C=C(C=C1)C=O)F PI-28427 [1,1,0,0,0,0|1,0,0]=3 569 B11R1.279 COC1=C(C=C(C=C1)C=O)O PI-15305 [1,1,0,0,0,0|0,0,0]=2 570 B11R1.279 COc1ccc(OC)c(O)c1 PI-32412 [1,1,0,0,0,0|2,0,0]=4 571 B11R1.279 O=CC1=CN=C(OC)C(F)=C1 PI-46768 [1,1,0,0,0,0|2,0,0]=4 572 B11R1.64 COC1=C(SC=C1C(=O)Cl)Cl PI-20147 [0,1,0,0,1,0|2,0,0]=4 573 B11R1.64 COC1=C(SC=C1C(=O)O)Br PI-29176 [0,1,0,0,1,0|2,0,0]=4 574 B11R1.64 COC1=C(SC=C1C(=O)O)Cl PI-29118 [0,1,0,0,1,0|2,0,0]=4 575 B13R1.13 CC(=O)C1=CC(=C(C=C1)O)C(=O)N PI-31184 [0,2,0,0,0,0|2,0,0]=4 576 B13R1.13 CC(=O)c1ccc(O)c(c1)[N+]([O-])=O PI-10152 [0,2,0,0,0,0|2,0,0]=4 577 B13R1.13 O=C(O)C1=CC(C(C)=O)=CC=C1O PI-30112 [0,2,0,0,0,0|2,0,0]=4 578 B13R1.13 OC(=O)c1ccc(O)c(c1)C(=O)O PI-33364 [0,2,0,0,0,0|2,0,0]=4 579 B13R1.13 [O-][N+](=O)c1ccc(O)c(c1)C(=O)C PI-18192 [0,2,0,0,0,0|2,0,0]=4 580 B13R1.49 CC1=C(C=C(C=C1)C(=O)OC)OC PI-49384 [0,2,0,0,0,0|1,0,0]=3 581 B13R1.49 CCC(=O)C1=CC(OC)=C(O)C=C1 PI-12814 [0,2,0,0,0,0|0,0,0]=2 582 B13R1.49 COC(=O)c1ccc(O)c(OC)c1 PI-18519 [0,2,0,0,0,0|0,0,0]=2 583 B13R1.49 COC(=O)c1ccc(c(c1)OC)Br PI-35858 [0,2,0,0,0,0|1,0,0]=3 584 B13R1.49 COC(=O)c1ccc(c(c1)OC)Cl PI-39046 [0,2,0,0,0,0|1,0,0]=3 585 B13R1.49 COC1=C(C=CC(=C1)C(=O)NN)O PI-50379 [0,2,0,0,0,0|0,0,0]=2 586 B13R1.49 COC1=CC(=NC=C1Br)C(=O)OC PI-48353 [0,2,0,0,0,0|2,0,0]=4 587 B13R1.354 CC(=O)C1=CC(=C(C=C1)O)CC=C PI-29065 [0,2,0,0,0,0|1,0,1]=4 588 B13R1.651 CC1=CC(=C(C=C1N=O)C(C)C)O PI-29374 [0,2,0,0,0,0|2,0,0]=4 589 B13R1.3091 B(C1=CC(=C(C=C1)OC)OC)(O)O PI-11578 [0,2,0,0,0,0|1,0,1]=4 590 B13R1.3091 CC(=O)C1=CC(=C(C=C1)OC)CCl PI-20161 [0,2,0,0,0,0|2,0,0]=4 591 B13R1.3091 CC(=O)C1=CC(=C(C=C1)OC)OC PI-12802 [0,2,0,0,0,0|0,0,0]=2 592 B13R1.3091 COC1=C(C=C(C=C1)C(=S)N)OC PI-23356 [0,2,0,0,0,0|0,1,0]=3 593 B13R1.3091 COC1=C(C=CC(=C1)C(=O)O)CBr PI-36155 [0,2,0,0,0,0|1,0,0]=3 594 B13R1.3091 COC1=C(C=CC(=C1)[N+](=O)[O-])C=O PI-27151 [0,2,0,0,0,0|1,0,1]=4 595 B13R1.3091 COC1=CC=C([N+]([O-])=O)C=C1OC PI-34326 [0,2,0,0,0,0|1,0,0]=3 596 B13R1.3091 COc1ccc(cc1OC)C(Cl)=O PI-23196 [0,2,0,0,0,0|0,0,0]=2 597 B13R1.3230 COC1=C(C=CC(=C1F)C(=O)O)F PI-13361 [0,2,0,0,0,0|1,0,0]=3 598 B13R1.3230 COc1c(F)ccc(C(=O)O)c1N PI-35462 [0,2,0,0,0,0|1,0,0]=3 599 B13R1.99 B(C1=C(C=C(C=C1)OC)OC)(O)O PI-25117 [0,2,0,0,0,0|2,0,0]=4 600 B13R1.99 COC1=CC(=C(C=C1)C(=O)O)OC PI-27975 [0,2,0,0,0,0|2,0,0]=4 601 B13R1.355 CCOC1=C(C=CC(=C1)C#N)OC PI-41181 [0,2,0,0,0,0|1,0,1]=4 602 B13R1.355 CCOc1cc(C=O)ccc1OC PI-27085 [0,2,0,0,0,0|0,0,0]=2 603 B13R1.386 C=CCc1ccc(c(c1)OC)OC PI-33038 [0,2,0,0,0,0|1,0,0]=3 604 B13R1.386 COC1=C(C=C(C=C1)CCO)OC PI-27888 [0,2,0,0,0,0|0,0,2]=4 605 B13R1.386 COC1=C(C=C(C=C1)N=C=S)OC PI-23295 [0,2,0,0,0,0|0,1,1]=4 606 B13R1.386 N#CCc1ccc(c(c1)OC)OC PI-32022 [0,2,0,0,0,0|1,0,1]=4 607 B13R1.386 NCCc1ccc(OC)c(OC)c1 PI-32364 [0,2,0,0,0,0|1,0,1]=4 608 B13R1.434 COC1=C(C(=CC(=C1)C=O)Br)OC PI-27852 [0,2,0,0,0,0|0,0,0]=2 609 B13R1.434 COC1=C(C(=CC(=C1)C=O)I)OC PI-27475 [0,2,0,0,0,0|0,0,0]=2 610 B13R1.434 COC1=CC(=CC(=C1OC)O)C=O PI-27442 [0,2,0,0,0,0|0,0,0]=2 611 B13R1.1249 CCOC1=C(C=C(C=C1)C=O)OC PI-27109 [0,2,0,0,0,0|0,0,0]=2 612 B13R1.2200 COC1=C(C=C(C(=C1)C#N)N)OC PI-15865 [0,2,0,0,0,0|1,0,1]=4 613 B13R1.2200 COC1=C(C=C(C(=C1)C=O)F)OC PI-21288 [0,2,0,0,0,0|0,0,0]=2 614 B13R1.2200 COC1=C(C=C(C(=C1)CBr)Br)OC PI-49399 [0,2,0,0,0,0|1,0,1]=4 615 B13R1.2200 COc1cc(C=O)c(cc1OC)Br PI-18019 [0,2,0,0,0,0|0,0,0]=2 616 B13R1.2422 COC1=C(C(=C(C=C1)C#N)Cl)OC PI-17311 [0,2,0,0,0,0|1,0,1]=4 617 B13R1.2422 O=CC1=CC=C(OC)C(OC)=C1Cl PI-18664 [0,2,0,0,0,0|0,0,0]=2 618 B13R1.2422 O=CC1=CC=C(OC)C(OC)=C1O PI-27301 [0,2,0,0,0,0|0,0,0]=2 619 B13R1.2430 B(C1=C(C=CC(=C1)C=O)OC)(O)O PI-25101 [0,2,0,0,0,0|2,0,0]=4 620 B13R1.2430 COC1=C(C=C(C=C1)C=O)[N+](=O)[O-] PI-11997 [0,2,0,0,0,0|2,0,0]=4 621 B13R1.3981 CCOC1=C(C(=CC(=C1)C=O)Br)O PI-27465 [0,2,0,0,0,0|0,0,0]=2 622 B13R1.52 COC1=C(C=CC(=C1)CC(=O)O)O PI-28359 [0,2,0,0,0,0|0,0,0]=2 623 B13R1.52 COc1cc(ccc1O)CC(=O)C PI-31129 [0,2,0,0,0,0|0,0,0]=2 624 B13R1.575 CCOCC1=CC(=C(C=C1)O)OC PI-48477 [0,2,0,0,0,0|0,0,2]=4 625 B13R1.575 COC1=C(C=CC(=C1)C=CCO)O PI-19634 [0,2,0,0,0,0|0,0,1]=3 626 B13R1.4030 COC1=C(C(=CC(=C1)CC#N)Br)O PI-21511 [0,2,0,0,0,0|1,0,1]=4 627 B13R1.425 COC1=C(C(=C(C(=C1)C=O)Br)Br)O PI-27440 [0,2,0,0,0,0|0,0,0]=2 628 B13R1.433 COC1=CC(=C(C(=C1)OC)O)OC PI-11740 [0,2,0,0,0,0|2,0,0]=4 629 B13R1.433 COC1=CC(=CC(=C1Br)OC)C=O PI-16090 [0,2,0,0,0,0|1,0,0]=3 630 B13R1.433 COc1cc(C=O)cc(c1O)OC PI-18158 [0,2,0,0,0,0|0,0,0]=2 631 B13R1.437 C1=C(C=C(C(=C1[N+](=O)[O-])O)O)C=O PI-34303 [0,2,0,0,0,0|2,0,0]=4 632 B13R1.98 C1=CC(=C(C=C1C=O)C(F)(F)F)O PI-17602 [0,2,0,0,0,0|2,0,0]=4 633 B13R1.98 C1=CC(=C(C=C1C=O)S(=O)(=O)[O-])O PI-27808 [0,2,0,0,0,0|1,1,0]=4 634 B11R1.44 COC(=O)C1=CC=C(O1)C=O PI-44005 [0,0,1,1,0,0|1,0,0]=3 635 B11R2.36 C1COC2=C1C=C(C=C2)Br PI-21650 [1,0,0,1,0,0|2,0,0]=4 636 B11R2.36 C1OC2=C(O1)C=C(C=C2)Cl PI-30880 [1,0,0,1,0,0|1,0,0]=3 637 B11R2.36 C1OC2=C(O1)C=C(C=C2)N PI-12185 [1,0,0,1,0,0|1,0,0]=3 638 B11R2.36 Oc1ccc2c(c1)OCO2 PI-15354 [1,0,0,1,0,0|0,0,1]=3 639 B11R2.36 SC1=CC=C2OCOC2=C1 PI-42647 [1,0,0,1,0,0|0,1,0]=3 640 B11R2.190 O=CC1=CC=C2CCC2=C1 PI-40933 [1,0,0,1,0,0|1,0,0]=3 641 B13R2.430 B(C1=CC2=C(C=C1)OCO2)(O)O PI-25980 [0,1,0,1,0,0|1,0,1]=4 642 B13R2.430 C1=CC2=C(C=CO2)C=C1C(=O)O PI-17138 [0,1,0,1,0,0|1,0,1]=4 643 B13R2.430 C1COC2=C1C=C(C=C2)C(=O)Cl PI-21252 [0,1,0,1,0,0|1,0,0]=3 644 B13R2.430 C1COC2=C1C=C(C=C2)C(=O)N PI-44108 [0,1,0,1,0,0|1,0,0]=3 645 B13R2.430 C1COC2=C1C=C(C=C2)C(=O)O PI-21254 [0,1,0,1,0,0|1,0,0]=3 646 B13R2.430 C1COC2=C1C=C(C=C2)C(=S)N PI-21255 [0,1,0,1,0,0|1,1,0]=4 647 B13R2.430 C1COC2=C1C=CC(=C2)C(=O)O PI-49010 [0,1,0,1,0,0|1,0,0]=3 648 B13R2.430 C1OC2=C(O1)C=C(C=C2)C(=O)O PI-12887 [0,1,0,1,0,0|0,0,0]=2 649 B13R2.430 CC(=O)c1ccc2c(c1)CCO2 PI-26974 [0,1,0,1,0,0|1,0,0]=3 650 B13R2.430 CC(=O)c1ccc2c(c1)OCO2 PI-29473 [0,1,0,1,0,0|0,0,0]=2 651 B13R2.430 OC(=O)C1=CC2=C(C=CO2)C=C1 PI-41286 [0,1,0,1,0,0|1,0,1]=4 652 B13R2.430 OC(=O)c1ccc2ncoc2c1 PI-36024 [0,1,0,1,0,0|1,0,1]=4 653 B13R2.57 C1COC2=C(O1)C=CC(=C2)CN PI-21248 [0,1,0,1,0,0|1,0,1]=4 654 B13R2.57 O=Cc1ccc2OCCOc2c1 PI-14155 [0,1,0,1,0,0|0,0,0]=2 655 B13R2.669 C1=CC2=C(C=C1C=O)C(=NO2)N PI-43124 [0,1,0,1,0,0|2,0,0]=4 656 B13R2.449 C1COC2=C1C=C(C=C2)N=C=O PI-26293 [0,1,0,1,0,0|1,0,1]=4 657 B13R2.449 C1OC2=C(O1)C=C(C=C2)CCO PI-26779 [0,1,0,1,0,0|0,0,2]=4 658 B13R2.449 CCNC1=CC2=C(C=C1)OCO2 PI-12265 [0,1,0,1,0,0|1,0,1]=4 659 B13R2.449 O\N=C\C1=CC=C2OCOC2=C1 PI-27329 [0,1,0,1,0,0|0,0,1]=3 660 B13R2.599 COC1=C(C=C2C(=C1)C=NN2)Br PI-45186 [0,1,0,1,0,0|2,0,0]=4 661 B13R2.599 O=Cc1cc2OCOc2cc1Br PI-20534 [0,1,0,1,0,0|0,0,0]=2 662 B9R1.21 CCC1=CC=C(O1)C=O PI-17705 [1,0,0,0,1,0|2,0,0]=4 663 B9R1.21 CSc1ccc(s1)C=O PI-29388 [1,0,0,0,1,0|1,1,0]=4 664 B11R1.265 COC1=C(C=CC=C1F)C=O PI-10581 [0,0,0,0,1,1|1,0,0]=3 665 B11R1.265 COc1c(OC)cccc1O PI-21294 [0,0,0,0,1,1|2,0,0]=4