0 B12R2.44 C1=CC(=CC2=C1C=CN2)C=O I123428 [0,0,0,0,0,0|2,0,1]=3 1 B12R2.44 C1=CC(=NC2=C1C=CN2)C=O H178090 [0,0,0,0,0,0|3,0,1]=4 2 B12R2.44 C1=CC2=C(C=C1C=O)C=NN2 I138561 [0,0,0,0,0,0|3,0,0]=3 3 B12R2.44 C1=CC2=C(C=C1C=O)NN=C2 H139159 [0,0,0,0,0,0|3,0,0]=3 4 B12R2.44 C1=CC2=C(C=C1C=O)SC=N2 B191898 [0,0,0,0,0,0|1,1,1]=3 5 B12R2.44 C1=CC2=C(C=CN2)C=C1C=O I115574 [0,0,0,0,0,0|2,0,1]=3 6 B12R2.44 C1=CC2=C(C=CO2)C=C1C=O B189275 [0,0,0,0,0,0|1,0,1]=2 7 B12R2.44 C1=CNC2=C1N=CC(=C2)C=O H165472 [0,0,0,0,0,0|3,0,1]=4 8 B12R2.44 C1COC2=C1C=C(C=C2)C=O D111411 [0,0,0,0,0,0|1,0,0]=1 9 B12R2.44 C1COC2=C1C=C(C=C2)CO D586206 [0,0,0,0,0,0|1,0,2]=3 10 B12R2.44 C1OC2=C(O1)C=C(C=C2)C#N P111439 [0,0,0,0,0,0|1,0,1]=2 11 B12R2.44 C1OC2=C(O1)C=C(C=C2)CN P133135 [0,0,0,0,0,0|1,0,1]=2 12 B12R2.44 C1OC2=C(O1)C=C(C=C2)CO P160713 [0,0,0,0,0,0|0,0,2]=2 13 B11R2.36 C1=CC(=CC2=C1C=CO2)Br B173227 [1,0,0,0,0,0|2,0,1]=4 14 B11R2.36 C1=CC(=CC2=C1C=CO2)N B586369 [1,0,0,0,0,0|2,0,1]=4 15 B11R2.36 C1=CC2=C(C=C1Br)N=CO2 B166962 [1,0,0,0,0,0|2,0,1]=4 16 B11R2.36 C1=CC2=C(C=C1Br)OC=N2 B184114 [1,0,0,0,0,0|2,0,1]=4 17 B11R2.36 C1=CC2=C(C=C1Cl)N=CO2 C167876 [1,0,0,0,0,0|2,0,1]=4 18 B11R2.36 C1=CC2=C(C=C1Cl)OC=N2 C182978 [1,0,0,0,0,0|2,0,1]=4 19 B11R2.36 C1=CC2=C(C=CO2)C=C1Br B168831 [1,0,0,0,0,0|2,0,1]=4 20 B11R2.36 C1CC2=C(C1)C=C(C=C2)N A151769 [1,0,0,0,0,0|3,0,0]=4 21 B11R2.36 C1CC2=C(C1)C=C(C=C2)O H157229 [1,0,0,0,0,0|2,0,1]=4 22 B11R2.36 C1CNC2=C1C=C(C=C2)Br B124815 [1,0,0,0,0,0|3,0,0]=4 23 B11R2.36 C1CNC2=C1C=C(C=C2)F F124808 [1,0,0,0,0,0|3,0,0]=4 24 B11R2.36 C1CNC2=C1C=CC(=C2)Cl D303889 [1,0,0,0,0,0|3,0,0]=4 25 B11R2.36 C1CNC2=C1C=CC(=C2)F F303147 [1,0,0,0,0,0|3,0,0]=4 26 B11R2.36 C1COC2=C1C=C(C=C2)Br B152996 [1,0,0,0,0,0|2,0,0]=3 27 B11R2.36 C1OC2=C(O1)C=C(C=C2)Br B113779 [1,0,0,0,0,0|1,0,0]=2 28 B11R2.36 C1OC2=C(O1)C=C(C=C2)I I332902 [1,0,0,0,0,0|1,0,0]=2 29 B11R2.36 C1OC2=C(O1)C=C(C=C2)N M138217 [1,0,0,0,0,0|1,0,0]=2 30 B11R2.36 C1OC2=C(O1)C=C(C=C2)O S106853 [1,0,0,0,0,0|0,0,1]=2 31 B11R2.36 CC1=CC2=C(C=C1)OC=N2 M158471 [1,0,0,0,0,0|1,0,2]=4 32 B13R2.430 B(C1=CC2=C(C=C1)OCC2)(O)O D137118 [0,1,0,0,0,0|2,0,1]=4 33 B13R2.430 B(C1=CC2=C(C=C1)OCO2)(O)O M104500 [0,1,0,0,0,0|1,0,1]=3 34 B13R2.430 C1=CC(=CC2=C1C=CN2)C(=O)O I124058 [0,1,0,0,0,0|2,0,1]=4 35 B13R2.430 C1=CC(=CC2=C1C=CO2)C(=O)O B177410 [0,1,0,0,0,0|1,0,1]=3 36 B13R2.430 C1=CC2=C(C=C1C(=O)O)C=NN2 H135034 [0,1,0,0,0,0|3,0,0]=4 37 B13R2.430 C1=CC2=C(C=C1C(=O)O)N=CO2 B482323 [0,1,0,0,0,0|1,0,1]=3 38 B13R2.430 C1=CC2=C(C=C1C(=O)O)N=CS2 B186028 [0,1,0,0,0,0|1,1,1]=4 39 B13R2.430 C1=CC2=C(C=C1C(=O)O)NC=N2 B107472 [0,1,0,0,0,0|2,0,1]=4 40 B13R2.430 C1=CC2=C(C=C1C(=O)O)OC=N2 B191124 [0,1,0,0,0,0|1,0,1]=3 41 B13R2.430 C1=CC2=C(C=C1C(=O)O)SC=N2 B138740 [0,1,0,0,0,0|1,1,1]=4 42 B13R2.430 C1=CC2=C(C=C1[N+](=O)[O-])OC=N2 N182058 [0,1,0,0,0,0|2,0,1]=4 43 B13R2.430 C1=CC2=C(C=CN2)C=C1C(=O)O I101996 [0,1,0,0,0,0|2,0,1]=4 44 B13R2.430 C1=CC2=NNN=C2C=C1C(=O)O B152698 [0,1,0,0,0,0|3,0,0]=4 45 B13R2.430 C1=CC2=NON=C2C=C1C(=O)O W135327 [0,1,0,0,0,0|3,0,0]=4 46 B13R2.430 C1CNC2=C1C=C(C=C2)[N+](=O)[O-] N138675 [0,1,0,0,0,0|3,0,0]=4 47 B13R2.430 C1CNC2=C1C=CC(=C2)[N+](=O)[O-] N120345 [0,1,0,0,0,0|3,0,0]=4 48 B13R2.430 C1OC2=C(O1)C=C(C=C2)C(=O)Cl P169024 [0,1,0,0,0,0|0,0,0]=1 49 B13R2.430 C1OC2=C(O1)C=C(C=C2)C(=O)O P160472 [0,1,0,0,0,0|0,0,0]=1 50 B13R2.430 C1OC2=C(O1)C=C(C=C2)[N+](=O)[O-] M157812 [0,1,0,0,0,0|1,0,0]=2 51 B13R2.430 CC(=O)C1=CC2=C(C=C1)NN=C2 H171584 [0,1,0,0,0,0|3,0,0]=4 52 B13R2.430 CC(=O)C1=CC2=C(C=C1)OCC2 A124581 [0,1,0,0,0,0|1,0,0]=2 53 B13R2.430 CC(=O)C1=CC2=C(C=C1)OCO2 M102469 [0,1,0,0,0,0|0,0,0]=1 54 B13R2.430 CC(=O)C1=CC2=C(CCC2)C=C1 A151500 [0,1,0,0,0,0|2,0,0]=3 55 B13R2.449 C1COC2=C1C=C(C=C2)CCBr B152995 [0,1,0,0,0,0|2,0,1]=4 56 B13R2.449 C1OC2=C(O1)C=C(C=C2)CC#N M158039 [0,1,0,0,0,0|1,0,1]=3 57 B13R2.449 C1OC2=C(O1)C=C(C=C2)CCN H181599 [0,1,0,0,0,0|1,0,1]=3 58 B13R2.449 C1OC2=C(O1)C=C(C=C2)N=C=O B301371 [0,1,0,0,0,0|0,0,1]=2 59 B13R2.449 C1OC2=C(O1)C=C(C=C2)N=C=S B301117 [0,1,0,0,0,0|0,1,1]=3 60 B13R2.599 C1OC2=C(O1)C=C(C(=C2)C#N)Br B171167 [0,1,0,0,0,0|1,0,1]=3 61 B13R2.599 C1OC2=C(O1)C=C(C(=C2)C=O)Br B151898 [0,1,0,0,0,0|0,0,0]=1 62 B13R2.599 C1OC2=C(O1)C=C(C(=C2)C=O)Cl C353120 [0,1,0,0,0,0|0,0,0]=1 63 B13R2.599 C1OC2=C(O1)C=C(C(=C2)CBr)Br B351720 [0,1,0,0,0,0|1,0,1]=3 64 B13R2.654 CNC1=CC2=C(C(=C1)Cl)OCO2 A467254 [0,1,0,0,0,0|2,0,0]=3 65 B13R2.669 C1=CC2=NNC(=C2C=C1C=O)Br B467045 [0,1,0,0,0,0|3,0,0]=4 66 B13R2.669 C1=CC2=NNC(=C2C=C1C=O)Cl C467044 [0,1,0,0,0,0|3,0,0]=4 67 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CO2 M587449 [0,1,0,0,0,0|3,0,0]=4 68 B11R1.83 C1=CC(=CC=C1CCO)C#N H134819 [0,0,1,0,0,0|2,0,1]=4 69 B11R1.83 CCC1=CC=C(C=C1)OCC E156094 [0,0,1,0,0,0|2,0,1]=4 70 B11R1.83 CCCC1=CC=C(C=C1)C=O P135756 [0,0,1,0,0,0|2,0,0]=3 71 B11R1.83 CCOC1=CC=C(C=C1)C#C E156344 [0,0,1,0,0,0|2,0,1]=4 72 B11R1.83 CCOC1=CC=C(C=C1)C#N E156327 [0,0,1,0,0,0|2,0,1]=4 73 B11R1.83 CCOC1=CC=C(C=C1)C=C E477029 [0,0,1,0,0,0|2,0,0]=3 74 B11R1.83 CCOC1=CC=C(C=C1)C=O E137923 [0,0,1,0,0,0|1,0,0]=2 75 B11R1.83 CCOC1=CC=C(C=C1)CCl C194480 [0,0,1,0,0,0|2,0,1]=4 76 B11R1.83 CCOC1=CC=C(C=C1)CO E156108 [0,0,1,0,0,0|1,0,2]=4 77 B11R1.83 COC1=CC=C(C=C1)CCO M124605 [0,0,1,0,0,0|3,0,0]=4 78 B11R1.83 COC1=CC=C(C=C1)CCO M493169 [0,0,1,0,0,0|3,0,0]=4 79 B11R1.189 CCOC1=CC=CC(=C1)C=O E135710 [0,0,1,0,0,0|1,0,0]=2 80 B11R1.189 COC1=CC=CC(=C1)CCO M136341 [0,0,1,0,0,0|3,0,0]=4 81 B11R1.279 C1=CC(=C(C=C1C=O)F)C#N F156617 [0,0,1,0,0,0|3,0,0]=4 82 B11R1.279 C1=CC(=C(C=C1C=O)O)C=O H304508 [0,0,1,0,0,0|2,0,0]=3 83 B11R1.279 CC1=C(C=CC(=C1)C=O)OC M133647 [0,0,1,0,0,0|1,0,0]=2 84 B11R1.279 CC1=C(C=CC(=C1)CCl)OC C194161 [0,0,1,0,0,0|2,0,1]=4 85 B11R1.279 CC1=C(C=CC(=C1)OC)OC D155374 [0,0,1,0,0,0|3,0,0]=4 86 B11R1.279 COC1=C(C=C(C=C1)C#N)Br B152144 [0,0,1,0,0,0|2,0,1]=4 87 B11R1.279 COC1=C(C=C(C=C1)C#N)Cl W137412 [0,0,1,0,0,0|2,0,1]=4 88 B11R1.279 COC1=C(C=C(C=C1)C#N)F F133310 [0,0,1,0,0,0|2,0,1]=4 89 B11R1.279 COC1=C(C=C(C=C1)C#N)O H184992 [0,0,1,0,0,0|1,0,1]=3 90 B11R1.279 COC1=C(C=C(C=C1)C=O)Br B133393 [0,0,1,0,0,0|1,0,0]=2 91 B11R1.279 COC1=C(C=C(C=C1)C=O)Cl C153252 [0,0,1,0,0,0|1,0,0]=2 92 B11R1.279 COC1=C(C=C(C=C1)C=O)F F122618 [0,0,1,0,0,0|1,0,0]=2 93 B11R1.279 COC1=C(C=C(C=C1)C=O)I I168830 [0,0,1,0,0,0|1,0,0]=2 94 B11R1.279 COC1=C(C=C(C=C1)C=O)O I113433 [0,0,1,0,0,0|0,0,0]=1 95 B11R1.279 COC1=C(C=C(C=C1)CCl)F F404466 [0,0,1,0,0,0|2,0,1]=4 96 B11R1.279 COC1=C(C=C(C=C1)CN)Cl C405721 [0,0,1,0,0,0|2,0,1]=4 97 B11R1.279 COC1=C(C=C(C=C1)CN)Cl W133337 [0,0,1,0,0,0|2,0,1]=4 98 B11R1.279 COC1=C(C=C(C=C1)CN)O H170289 [0,0,1,0,0,0|1,0,1]=3 99 B11R1.279 COC1=C(C=C(C=C1)CO)Cl C167323 [0,0,1,0,0,0|1,0,2]=4 100 B11R1.279 COC1=C(C=C(C=C1)CO)I I170835 [0,0,1,0,0,0|1,0,2]=4 101 B11R1.279 COC1=C(C=C(C=C1)CO)N A586429 [0,0,1,0,0,0|1,0,2]=4 102 B11R1.279 COC1=C(C=C(C=C1)CO)O I157468 [0,0,1,0,0,0|0,0,2]=3 103 B11R1.279 COC1=CC(=C(C=C1)OC)Br B101643 [0,0,1,0,0,0|3,0,0]=4 104 B11R1.279 COC1=CC(=C(C=C1)OC)Cl C132830 [0,0,1,0,0,0|3,0,0]=4 105 B11R1.279 COC1=CC(=C(C=C1)OC)F D123994 [0,0,1,0,0,0|3,0,0]=4 106 B11R1.279 COC1=CC(=C(C=C1)OC)N D111647 [0,0,1,0,0,0|3,0,0]=4 107 B11R1.279 COC1=CC(=C(C=C1)OC)O D191676 [0,0,1,0,0,0|2,0,0]=3 108 B11R1.279 COC1=CC(=C(C=C1)OC)S D101795 [0,0,1,0,0,0|2,1,0]=4 109 B11R1.280 C1=CC(=C(C=C1C=O)C#N)F F124171 [0,0,1,0,0,0|3,0,0]=4 110 B11R1.280 C1=CC(=C(C=C1C=O)C=O)O H157418 [0,0,1,0,0,0|2,0,0]=3 111 B11R1.280 CC1=C(C=C(C=C1)C#N)OC M136274 [0,0,1,0,0,0|2,0,1]=4 112 B11R1.280 CC1=C(C=C(C=C1)OC)OC D170028 [0,0,1,0,0,0|3,0,0]=4 113 B11R1.280 CCC1=CC(=C(C=C1)O)OC E111257 [0,0,1,0,0,0|1,0,1]=3 114 B11R1.280 COC1=C(C=CC(=C1)C#N)Br B180088 [0,0,1,0,0,0|2,0,1]=4 115 B11R1.280 COC1=C(C=CC(=C1)C#N)F F124044 [0,0,1,0,0,0|2,0,1]=4 116 B11R1.280 COC1=C(C=CC(=C1)C#N)N A182168 [0,0,1,0,0,0|2,0,1]=4 117 B11R1.280 COC1=C(C=CC(=C1)C#N)O H156992 [0,0,1,0,0,0|1,0,1]=3 118 B11R1.280 COC1=C(C=CC(=C1)C=C)O M137776 [0,0,1,0,0,0|1,0,0]=2 119 B11R1.280 COC1=C(C=CC(=C1)C=O)Br B184522 [0,0,1,0,0,0|1,0,0]=2 120 B11R1.280 COC1=C(C=CC(=C1)C=O)Cl C190733 [0,0,1,0,0,0|1,0,0]=2 121 B11R1.280 COC1=C(C=CC(=C1)C=O)F F108788 [0,0,1,0,0,0|1,0,0]=2 122 B11R1.280 COC1=C(C=CC(=C1)C=O)O V100115 [0,0,1,0,0,0|0,0,0]=1 123 B11R1.280 COC1=C(C=CC(=C1)C=O)O V128320 [0,0,1,0,0,0|0,0,0]=1 124 B11R1.280 COC1=C(C=CC(=C1)C=O)O V141281 [0,0,1,0,0,0|0,0,0]=1 125 B11R1.280 COC1=C(C=CC(=C1)C=O)O V420926 [0,0,1,0,0,0|0,0,0]=1 126 B11R1.280 COC1=C(C=CC(=C1)C=O)O V431597 [0,0,1,0,0,0|0,0,0]=1 127 B11R1.280 COC1=C(C=CC(=C1)CBr)F F181431 [0,0,1,0,0,0|2,0,1]=4 128 B11R1.280 COC1=C(C=CC(=C1)CN)F A184856 [0,0,1,0,0,0|2,0,1]=4 129 B11R1.280 COC1=C(C=CC(=C1)CN)O A586553 [0,0,1,0,0,0|1,0,1]=3 130 B11R1.280 COC1=C(C=CC(=C1)CN)O V103080 [0,0,1,0,0,0|1,0,1]=3 131 B11R1.280 COC1=C(C=CC(=C1)CO)F F132370 [0,0,1,0,0,0|1,0,2]=4 132 B11R1.280 COC1=C(C=CC(=C1)CO)O H103777 [0,0,1,0,0,0|0,0,2]=3 133 B11R1.280 COC1=CC(=C(C=C1)Br)OC B111192 [0,0,1,0,0,0|3,0,0]=4 134 B11R1.280 COC1=CC(=C(C=C1)F)OC F167967 [0,0,1,0,0,0|3,0,0]=4 135 B11R1.280 COC1=CC(=C(C=C1)I)OC D155503 [0,0,1,0,0,0|3,0,0]=4 136 B11R1.280 COC1=CC(=C(C=C1)O)OC D190590 [0,0,1,0,0,0|2,0,0]=3 137 B11R1.280 COC1=CC(=C(C=C1)S)OC D587856 [0,0,1,0,0,0|2,1,0]=4 138 B11R2.190 C=CC1=CC2=C(CC2)C=C1 V196176 [0,0,0,0,1,0|2,0,0]=3 139 B13R2.57 C1=CC2=C(C=C(C=C2)C=O)N=C1 Q133722 [0,0,0,0,0,1|2,0,1]=4 140 B13R2.57 C1=CC2=C(C=CC(=C2)C=O)N=C1 Q160817 [0,0,0,0,0,1|2,0,1]=4 141 B13R2.57 C1=CC2=NC=CN=C2C=C1C=O Q181066 [0,0,0,0,0,1|2,0,1]=4 142 B13R2.57 C1=CC=C2C=C(C=CC2=C1)C=O N106388 [0,0,0,0,0,1|2,0,1]=4 143 B13R2.57 C1CC2=C(C=CC(=C2)CN)OC1 C348598 [0,0,0,0,0,1|2,0,1]=4 144 B13R2.57 C1COC2=C(O1)C=CC(=C2)C#N D182405 [0,0,0,0,0,1|1,0,1]=3 145 B13R2.57 C1COC2=C(O1)C=CC(=C2)C=O E156097 [0,0,0,0,0,1|0,0,0]=1 146 B13R2.57 C1COC2=C(O1)C=CC(=C2)CN D182101 [0,0,0,0,0,1|1,0,1]=3 147 B13R2.57 [C-]#[N+]C1=CC2=C(C=C1)OCCO2 I300010 [0,0,0,0,0,1|2,0,0]=3 148 B10R1.1 C1=CC(=CC=C1CCO)Br B153115 [1,0,1,0,0,0|2,0,0]=4 149 B10R1.1 C1=CC(=CC=C1CCO)Cl C121856 [1,0,1,0,0,0|2,0,0]=4 150 B10R1.1 C1=CC(=CC=C1CCO)F F136730 [1,0,1,0,0,0|2,0,0]=4 151 B10R1.1 C1=CC(=CC=C1CCO)N A151120 [1,0,1,0,0,0|2,0,0]=4 152 B10R1.1 C1=CC(=CC=C1CCO)O H106325 [1,0,1,0,0,0|1,0,1]=4 153 B10R1.1 C1=CC(=CC=C1CCO)O H118576 [1,0,1,0,0,0|1,0,1]=4 154 B10R1.1 C1=CC(=CC=C1CCO)O H424324 [1,0,1,0,0,0|1,0,1]=4 155 B10R1.1 CC1=CC=C(C=C1)CCO I135268 [1,0,1,0,0,0|1,0,1]=4 156 B10R1.1 CCOC1=CC=C(C=C1)Br B113334 [1,0,1,0,0,0|2,0,0]=4 157 B10R1.1 CCOC1=CC=C(C=C1)Cl C304178 [1,0,1,0,0,0|2,0,0]=4 158 B10R1.1 CCOC1=CC=C(C=C1)F F156673 [1,0,1,0,0,0|2,0,0]=4 159 B10R1.1 CCOC1=CC=C(C=C1)I I111883 [1,0,1,0,0,0|2,0,0]=4 160 B10R1.1 CCOC1=CC=C(C=C1)N E108459 [1,0,1,0,0,0|2,0,0]=4 161 B10R1.1 CCOC1=CC=C(C=C1)N P160470 [1,0,1,0,0,0|2,0,0]=4 162 B10R1.1 CCOC1=CC=C(C=C1)O E124314 [1,0,1,0,0,0|1,0,1]=4 163 B10R1.3 C#CC1=CC=C(C=C1)C=O E139128 [1,0,1,0,0,0|1,0,1]=4 164 B10R1.3 C#CC1=CC=C(C=C1)CO E302152 [1,0,1,0,0,0|1,0,1]=4 165 B10R1.3 C1=CC(=CC=C1C=O)C#N F100751 [1,0,1,0,0,0|1,0,1]=4 166 B10R1.3 C1=CC(=CC=C1C=O)C=O P105980 [1,0,1,0,0,0|0,0,2]=4 167 B10R1.3 C1=CC(=CC=C1CBr)C=O B184885 [1,0,1,0,0,0|1,0,0]=3 168 B10R1.3 C1=CC(=CC=C1CCl)C=O C194802 [1,0,1,0,0,0|1,0,0]=3 169 B10R1.3 C1=CC(=CC=C1CN)CO A184295 [1,0,1,0,0,0|1,0,1]=4 170 B10R1.3 C1=CC(=CC=C1CO)C#N H124046 [1,0,1,0,0,0|1,0,1]=4 171 B10R1.3 C1=CC(=CC=C1CO)C=O H193722 [1,0,1,0,0,0|0,0,0]=2 172 B10R1.3 C1=CC(=CC=C1CO)CCl W131919 [1,0,1,0,0,0|1,0,1]=4 173 B10R1.3 C1=CC(=CC=C1CO)CO B107001 [1,0,1,0,0,0|0,0,2]=4 174 B10R1.3 C1=CC(=CC=C1NO)N=O B101359 [1,0,1,0,0,0|2,0,0]=4 175 B10R1.3 C=CC1=CC=C(C=C1)C=O V587715 [1,0,1,0,0,0|1,0,1]=4 176 B10R1.3 C=CC1=CC=C(C=C1)CCl V141224 [1,0,1,0,0,0|2,0,0]=4 177 B10R1.3 C=CC1=CC=C(C=C1)CCl V592268 [1,0,1,0,0,0|2,0,0]=4 178 B10R1.3 C=CC1=CC=C(C=C1)CN V123986 [1,0,1,0,0,0|2,0,0]=4 179 B10R1.3 CCC1=CC=C(C=C1)C=O E102795 [1,0,1,0,0,0|1,0,0]=3 180 B10R1.3 CCC1=CC=C(C=C1)CO E156110 [1,0,1,0,0,0|1,0,1]=4 181 B10R1.3 CCC1=CC=C(C=C1)OC E137475 [1,0,1,0,0,0|1,0,1]=4 182 B10R1.3 CNC1=CC=C(C=C1)OC I133933 [1,0,1,0,0,0|2,0,0]=4 183 B10R1.3 COC1=CC=C(C=C1)C#C M111332 [1,0,1,0,0,0|1,0,1]=4 184 B10R1.3 COC1=CC=C(C=C1)C#N M111093 [1,0,1,0,0,0|1,0,1]=4 185 B10R1.3 COC1=CC=C(C=C1)C=C M103131 [1,0,1,0,0,0|1,0,0]=3 186 B10R1.3 COC1=CC=C(C=C1)C=O A108955 [1,0,1,0,0,0|0,0,0]=2 187 B10R1.3 COC1=CC=C(C=C1)C=O A108956 [1,0,1,0,0,0|0,0,0]=2 188 B10R1.3 COC1=CC=C(C=C1)C=O A108957 [1,0,1,0,0,0|0,0,0]=2 189 B10R1.3 COC1=CC=C(C=C1)C=O A108958 [1,0,1,0,0,0|0,0,0]=2 190 B10R1.3 COC1=CC=C(C=C1)C=O P421001 [1,0,1,0,0,0|0,0,0]=2 191 B10R1.3 COC1=CC=C(C=C1)CCl M491599 [1,0,1,0,0,0|1,0,1]=4 192 B10R1.3 COC1=CC=C(C=C1)CN M123767 [1,0,1,0,0,0|1,0,1]=4 193 B10R1.3 COC1=CC=C(C=C1)CO M107568 [1,0,1,0,0,0|0,0,2]=4 194 B10R1.3 COC1=CC=C(C=C1)CS M101790 [1,0,1,0,0,0|0,1,1]=4 195 B10R1.3 COC1=CC=C(C=C1)CS M414622 [1,0,1,0,0,0|0,1,1]=4 196 B10R1.3 COC1=CC=C(C=C1)OC D104711 [1,0,1,0,0,0|2,0,0]=4 197 B10R1.3 COC1=CC=C(C=C1)OC D137778 [1,0,1,0,0,0|2,0,0]=4 198 B10R1.3 COC1=CC=C(C=C1)SC M101846 [1,0,1,0,0,0|2,0,0]=4 199 B10R1.3 COC1=CC=C(C=C1)[N+]#N M123217 [1,0,1,0,0,0|2,0,0]=4 200 B10R1.3 COC1=CC=C(C=C1)[N+]#[C-] M165558 [1,0,1,0,0,0|2,0,0]=4 201 B10R1.3 COC1=CN=C(C=C1)C=O M182921 [1,0,1,0,0,0|1,0,0]=3 202 B10R1.3 COC1=NC=C(C=C1)C=O M115769 [1,0,1,0,0,0|1,0,0]=3 203 B10R1.3 COC1=NC=C(C=N1)C=O F337248 [1,0,1,0,0,0|2,0,0]=4 204 B10R1.3 CSC1=CC=C(C=C1)C=O P133663 [1,0,1,0,0,0|0,1,0]=3 205 B10R1.3 CSC1=CC=C(C=C1)CO M101850 [1,0,1,0,0,0|2,0,0]=4 206 B10R1.10 C1=CC(=CC(=C1)Br)CCO B102008 [1,0,1,0,0,0|2,0,0]=4 207 B10R1.10 C1=CC(=CC(=C1)Cl)CCO C153312 [1,0,1,0,0,0|2,0,0]=4 208 B10R1.10 C1=CC(=CC(=C1)F)CCO F156602 [1,0,1,0,0,0|2,0,0]=4 209 B10R1.10 C1=CC(=CC(=C1)N)CCO A589356 [1,0,1,0,0,0|2,0,0]=4 210 B10R1.10 C1=CC(=CC(=C1)O)CCO H167016 [1,0,1,0,0,0|1,0,1]=4 211 B10R1.10 CC1=CC(=CC=C1)CCO M157912 [1,0,1,0,0,0|1,0,1]=4 212 B10R1.10 CCOC1=CC(=CC=C1)Br B136517 [1,0,1,0,0,0|2,0,0]=4 213 B10R1.10 CCOC1=CC(=CC=C1)S E101783 [1,0,1,0,0,0|1,1,0]=4 214 B10R1.10 CCOC1=CC=CC(=C1)N E101872 [1,0,1,0,0,0|2,0,0]=4 215 B10R1.10 CCOC1=CC=CC(=C1)O E156223 [1,0,1,0,0,0|1,0,1]=4 216 B10R1.172 C1=CC(=CC(=C1)C#N)C=O F100743 [1,0,1,0,0,0|1,0,1]=4 217 B10R1.172 C1=CC(=CC(=C1)C#N)CO H124030 [1,0,1,0,0,0|1,0,1]=4 218 B10R1.172 C1=CC(=CC(=C1)C=O)C=O I106945 [1,0,1,0,0,0|0,0,2]=4 219 B10R1.172 C1=CC(=CC(=C1)C=O)CBr B186757 [1,0,1,0,0,0|1,0,0]=3 220 B10R1.172 C1=CC(=CC(=C1)CBr)CO B186756 [1,0,1,0,0,0|1,0,1]=4 221 B10R1.172 C1=CC(=CC(=C1)CO)CN A183846 [1,0,1,0,0,0|1,0,1]=4 222 B10R1.172 C1=CC(=CC(=C1)CO)CO B153087 [1,0,1,0,0,0|0,0,2]=4 223 B10R1.172 C=CC1=CC(=CC=C1)C=O V168330 [1,0,1,0,0,0|1,0,1]=4 224 B10R1.172 CCC1=CC(=CC=C1)C=O E192849 [1,0,1,0,0,0|1,0,0]=3 225 B10R1.172 CNC1=CC(=CC=C1)OC M167275 [1,0,1,0,0,0|2,0,0]=4 226 B10R1.172 COC1=CC(=CC=C1)OC D105919 [1,0,1,0,0,0|2,0,0]=4 227 B10R1.172 COC1=CC=CC(=C1)C#C E123092 [1,0,1,0,0,0|1,0,1]=4 228 B10R1.172 COC1=CC=CC(=C1)C#N M107611 [1,0,1,0,0,0|1,0,1]=4 229 B10R1.172 COC1=CC=CC(=C1)C=C V339129 [1,0,1,0,0,0|1,0,0]=3 230 B10R1.172 COC1=CC=CC(=C1)C=O M106420 [1,0,1,0,0,0|0,0,0]=2 231 B10R1.172 COC1=CC=CC(=C1)CBr M299353 [1,0,1,0,0,0|1,0,1]=4 232 B10R1.172 COC1=CC=CC(=C1)CCl M123139 [1,0,1,0,0,0|1,0,1]=4 233 B10R1.172 COC1=CC=CC(=C1)CN M113479 [1,0,1,0,0,0|1,0,1]=4 234 B10R1.172 COC1=CC=CC(=C1)CO M123137 [1,0,1,0,0,0|0,0,2]=4 235 B10R1.172 COC1=CC=CC(=N1)C=O M115767 [1,0,1,0,0,0|1,0,0]=3 236 B10R1.172 COC1=CN=CC(=C1)C=O M115768 [1,0,1,0,0,0|1,0,0]=3 237 B10R1.172 COC1=NC=CC(=C1)C=O M177294 [1,0,1,0,0,0|1,0,0]=3 238 B10R1.25 CC1=C(C=CC(=C1)Br)OC B122705 [1,0,1,0,0,0|2,0,0]=4 239 B10R1.25 CC1=C(C=CC(=C1)Cl)OC C153447 [1,0,1,0,0,0|2,0,0]=4 240 B10R1.25 CC1=C(C=CC(=C1)N)OC M140237 [1,0,1,0,0,0|2,0,0]=4 241 B10R1.25 CC1=CC(=C(C=C1)OC)Br B135797 [1,0,1,0,0,0|1,0,1]=4 242 B10R1.25 CC1=CC(=C(C=C1)OC)N M114090 [1,0,1,0,0,0|1,0,1]=4 243 B10R1.25 CC1=CC(=C(C=C1)OC)N M131613 [1,0,1,0,0,0|1,0,1]=4 244 B10R1.25 CC1=CC(=C(C=C1)OC)O M124273 [1,0,1,0,0,0|0,0,1]=3 245 B10R1.25 CCC1=C(C=C(C=C1)O)O E100551 [1,0,1,0,0,0|1,0,1]=4 246 B10R1.25 COC1=C(C=C(C=C1)Br)Br D132966 [1,0,1,0,0,0|2,0,0]=4 247 B10R1.25 COC1=C(C=C(C=C1)Br)Cl B357163 [1,0,1,0,0,0|2,0,0]=4 248 B10R1.25 COC1=C(C=C(C=C1)Br)F B101646 [1,0,1,0,0,0|2,0,0]=4 249 B10R1.25 COC1=C(C=C(C=C1)Br)N B134097 [1,0,1,0,0,0|2,0,0]=4 250 B10R1.25 COC1=C(C=C(C=C1)Br)O B137212 [1,0,1,0,0,0|1,0,0]=3 251 B10R1.25 COC1=C(C=C(C=C1)Cl)Br B101886 [1,0,1,0,0,0|2,0,0]=4 252 B10R1.25 COC1=C(C=C(C=C1)Cl)Cl D155538 [1,0,1,0,0,0|2,0,0]=4 253 B10R1.25 COC1=C(C=C(C=C1)Cl)F C332053 [1,0,1,0,0,0|2,0,0]=4 254 B10R1.25 COC1=C(C=C(C=C1)Cl)I C189153 [1,0,1,0,0,0|2,0,0]=4 255 B10R1.25 COC1=C(C=C(C=C1)Cl)N C153904 [1,0,1,0,0,0|2,0,0]=4 256 B10R1.25 COC1=C(C=C(C=C1)Cl)O C193052 [1,0,1,0,0,0|1,0,0]=3 257 B10R1.25 COC1=C(C=C(C=C1)F)Br B120999 [1,0,1,0,0,0|2,0,0]=4 258 B10R1.25 COC1=C(C=C(C=C1)F)Cl C122583 [1,0,1,0,0,0|2,0,0]=4 259 B10R1.25 COC1=C(C=C(C=C1)F)F D122592 [1,0,1,0,0,0|2,0,0]=4 260 B10R1.25 COC1=C(C=C(C=C1)F)N F122496 [1,0,1,0,0,0|2,0,0]=4 261 B10R1.25 COC1=C(C=C(C=C1)F)N F598725 [1,0,1,0,0,0|2,0,0]=4 262 B10R1.25 COC1=C(C=C(C=C1)F)O F186288 [1,0,1,0,0,0|1,0,0]=3 263 B10R1.25 COC1=C(C=C(C=C1)I)F F193110 [1,0,1,0,0,0|2,0,0]=4 264 B10R1.25 COC1=C(C=C(C=C1)I)N I136035 [1,0,1,0,0,0|2,0,0]=4 265 B10R1.25 COC1=C(C=C(C=C1)N)Br B135326 [1,0,1,0,0,0|2,0,0]=4 266 B10R1.25 COC1=C(C=C(C=C1)N)Cl C124254 [1,0,1,0,0,0|2,0,0]=4 267 B10R1.25 COC1=C(C=C(C=C1)N)F F120575 [1,0,1,0,0,0|2,0,0]=4 268 B10R1.25 COC1=C(C=C(C=C1)N)I I139236 [1,0,1,0,0,0|2,0,0]=4 269 B10R1.25 COC1=C(C=C(C=C1)N)N D154686 [1,0,1,0,0,0|2,0,0]=4 270 B10R1.25 COC1=C(C=C(C=C1)N)N D573312 [1,0,1,0,0,0|2,0,0]=4 271 B10R1.25 COC1=C(C=C(C=C1)N)N M114086 [1,0,1,0,0,0|2,0,0]=4 272 B10R1.25 COC1=C(C=C(C=C1)N)O H157240 [1,0,1,0,0,0|1,0,0]=3 273 B10R1.25 COC1=C(C=C(C=C1)O)Br B182087 [1,0,1,0,0,0|1,0,1]=4 274 B10R1.25 COC1=C(C=C(C=C1)O)F F193465 [1,0,1,0,0,0|1,0,1]=4 275 B10R1.25 COC1=C(C=C(C=C1)O)O M304130 [1,0,1,0,0,0|0,0,1]=3 276 B10R1.176 C1=CC(=C(C=C1C#N)O)O D154618 [1,0,1,0,0,0|1,0,1]=4 277 B10R1.176 C1=CC(=C(C=C1C=O)Br)Br D133582 [1,0,1,0,0,0|2,0,0]=4 278 B10R1.176 C1=CC(=C(C=C1C=O)Br)Cl B590391 [1,0,1,0,0,0|2,0,0]=4 279 B10R1.176 C1=CC(=C(C=C1C=O)Br)F B120677 [1,0,1,0,0,0|2,0,0]=4 280 B10R1.176 C1=CC(=C(C=C1C=O)Br)O B102178 [1,0,1,0,0,0|1,0,0]=3 281 B10R1.176 C1=CC(=C(C=C1C=O)Cl)Br B190026 [1,0,1,0,0,0|2,0,0]=4 282 B10R1.176 C1=CC(=C(C=C1C=O)Cl)Cl D100689 [1,0,1,0,0,0|2,0,0]=4 283 B10R1.176 C1=CC(=C(C=C1C=O)Cl)F C120608 [1,0,1,0,0,0|2,0,0]=4 284 B10R1.176 C1=CC(=C(C=C1C=O)Cl)O C133077 [1,0,1,0,0,0|1,0,0]=3 285 B10R1.176 C1=CC(=C(C=C1C=O)F)Br B120678 [1,0,1,0,0,0|2,0,0]=4 286 B10R1.176 C1=CC(=C(C=C1C=O)F)Cl C120611 [1,0,1,0,0,0|2,0,0]=4 287 B10R1.176 C1=CC(=C(C=C1C=O)F)F D120660 [1,0,1,0,0,0|2,0,0]=4 288 B10R1.176 C1=CC(=C(C=C1C=O)F)O F124318 [1,0,1,0,0,0|1,0,0]=3 289 B10R1.176 C1=CC(=C(C=C1C=O)I)O H194131 [1,0,1,0,0,0|1,0,0]=3 290 B10R1.176 C1=CC(=C(C=C1C=O)O)O D108634 [1,0,1,0,0,0|0,0,0]=2 291 B10R1.176 C1=CC(=C(C=C1C=O)O)O D108636 [1,0,1,0,0,0|0,0,0]=2 292 B10R1.176 C1=CC(=C(C=C1C=O)O)O D130075 [1,0,1,0,0,0|0,0,0]=2 293 B10R1.176 C1=CC(=C(C=C1CN)O)O D167718 [1,0,1,0,0,0|1,0,1]=4 294 B10R1.176 C1=CC(=C(C=C1CO)O)O D155345 [1,0,1,0,0,0|0,0,2]=4 295 B10R1.176 CC1=C(C=C(C=C1)C#N)O H184166 [1,0,1,0,0,0|1,0,1]=4 296 B10R1.176 CC1=C(C=C(C=C1)C=O)Br B153186 [1,0,1,0,0,0|1,0,0]=3 297 B10R1.176 CC1=C(C=C(C=C1)C=O)C D123177 [1,0,1,0,0,0|1,0,0]=3 298 B10R1.176 CC1=C(C=C(C=C1)C=O)Cl C124170 [1,0,1,0,0,0|1,0,0]=3 299 B10R1.176 CC1=C(C=C(C=C1)C=O)F F124173 [1,0,1,0,0,0|1,0,0]=3 300 B10R1.176 CC1=C(C=CC(=C1)C=O)Br B186637 [1,0,1,0,0,0|1,0,0]=3 301 B10R1.176 CC1=C(C=CC(=C1)C=O)Cl C353131 [1,0,1,0,0,0|1,0,0]=3 302 B10R1.176 CC1=C(C=CC(=C1)C=O)F F120646 [1,0,1,0,0,0|1,0,0]=3 303 B10R1.176 CC1=C(C=CC(=C1)C=O)O H124186 [1,0,1,0,0,0|0,0,0]=2 304 B10R1.176 CC1=C(C=CC(=C1)OC)O H193776 [1,0,1,0,0,0|2,0,0]=4 305 B10R1.176 CCC1=CC(=C(C=C1)O)O E165960 [1,0,1,0,0,0|1,0,1]=4 306 B10R1.30 CC1=C(C=C(C=C1)Br)OC B136005 [1,0,1,0,0,0|2,0,0]=4 307 B10R1.30 CC1=C(C=C(C=C1)F)OC F305032 [1,0,1,0,0,0|2,0,0]=4 308 B10R1.30 CC1=C(C=C(C=C1)N)OC M124256 [1,0,1,0,0,0|2,0,0]=4 309 B10R1.30 CC1=CC(=C(C=C1)Br)OC B196086 [1,0,1,0,0,0|1,0,1]=4 310 B10R1.30 CC1=CC(=C(C=C1)C)OC D155516 [1,0,1,0,0,0|1,0,1]=4 311 B10R1.30 CC1=CC(=C(C=C1)F)OC W135051 [1,0,1,0,0,0|1,0,1]=4 312 B10R1.30 CC1=CC(=C(C=C1)N)OC M472436 [1,0,1,0,0,0|1,0,1]=4 313 B10R1.30 CC1=CC(=C(C=C1)O)OC M158094 [1,0,1,0,0,0|0,0,1]=3 314 B10R1.30 CCC1=C(C=CC(=C1)F)O E170137 [1,0,1,0,0,0|2,0,0]=4 315 B10R1.30 COC1=C(C=CC(=C1)Br)Br D196105 [1,0,1,0,0,0|2,0,0]=4 316 B10R1.30 COC1=C(C=CC(=C1)Br)Cl B124391 [1,0,1,0,0,0|2,0,0]=4 317 B10R1.30 COC1=C(C=CC(=C1)Br)F B120997 [1,0,1,0,0,0|2,0,0]=4 318 B10R1.30 COC1=C(C=CC(=C1)Br)N B122478 [1,0,1,0,0,0|2,0,0]=4 319 B10R1.30 COC1=C(C=CC(=C1)Br)O B102096 [1,0,1,0,0,0|1,0,0]=3 320 B10R1.30 COC1=C(C=CC(=C1)Cl)Br B124292 [1,0,1,0,0,0|2,0,0]=4 321 B10R1.30 COC1=C(C=CC(=C1)Cl)Cl D191881 [1,0,1,0,0,0|2,0,0]=4 322 B10R1.30 COC1=C(C=CC(=C1)Cl)O C153525 [1,0,1,0,0,0|1,0,0]=3 323 B10R1.30 COC1=C(C=CC(=C1)F)Br B120994 [1,0,1,0,0,0|2,0,0]=4 324 B10R1.30 COC1=C(C=CC(=C1)F)Cl C122584 [1,0,1,0,0,0|2,0,0]=4 325 B10R1.30 COC1=C(C=CC(=C1)F)F D122594 [1,0,1,0,0,0|2,0,0]=4 326 B10R1.30 COC1=C(C=CC(=C1)F)N F136326 [1,0,1,0,0,0|2,0,0]=4 327 B10R1.30 COC1=C(C=CC(=C1)F)N F182198 [1,0,1,0,0,0|2,0,0]=4 328 B10R1.30 COC1=C(C=CC(=C1)F)O F156738 [1,0,1,0,0,0|1,0,0]=3 329 B10R1.30 COC1=C(C=CC(=C1)I)Br B186427 [1,0,1,0,0,0|2,0,0]=4 330 B10R1.30 COC1=C(C=CC(=C1)I)Cl C191291 [1,0,1,0,0,0|2,0,0]=4 331 B10R1.30 COC1=C(C=CC(=C1)I)N I169689 [1,0,1,0,0,0|2,0,0]=4 332 B10R1.30 COC1=C(C=CC(=C1)N)Br B122479 [1,0,1,0,0,0|2,0,0]=4 333 B10R1.30 COC1=C(C=CC(=C1)N)Cl C122526 [1,0,1,0,0,0|2,0,0]=4 334 B10R1.30 COC1=C(C=CC(=C1)N)F F185773 [1,0,1,0,0,0|2,0,0]=4 335 B10R1.30 COC1=C(C=CC(=C1)N)N D185909 [1,0,1,0,0,0|2,0,0]=4 336 B10R1.30 COC1=C(C=CC(=C1)N)O A122694 [1,0,1,0,0,0|1,0,0]=3 337 B10R1.30 COC1=C(C=CC(=C1)N)O A493765 [1,0,1,0,0,0|1,0,0]=3 338 B10R1.30 COC1=C(C=CC(=C1)O)Br B123474 [1,0,1,0,0,0|1,0,1]=4 339 B10R1.30 COC1=C(C=CC(=C1)O)O M136895 [1,0,1,0,0,0|0,0,1]=3 340 B10R1.30 COC1=CC(=O)C=CC1=O M140181 [1,0,1,0,0,0|0,0,1]=3 341 B10R2.7 C1=CC=C2C(=C1)C=CO2 B107470 [2,0,0,0,0,0|1,0,1]=4 342 B10R2.7 C1=CC=C2C(=C1)C=NO2 B151955 [2,0,0,0,0,0|2,0,0]=4 343 B10R2.7 C1=CC=C2C(=C1)N=CO2 B152628 [2,0,0,0,0,0|1,0,1]=4 344 B10R2.7 C1CC2=CC=CC=C2C1 I105445 [2,0,0,0,0,0|2,0,0]=4 345 B10R2.7 C1CNC2=CC=CC=C21 I103557 [2,0,0,0,0,0|2,0,0]=4 346 B10R2.7 C1COC2=CC=CC=C21 D170588 [2,0,0,0,0,0|1,0,0]=3 347 B10R2.7 C1OC2=CC=CC=C2O1 B101357 [2,0,0,0,0,0|0,0,0]=2 348 B10R2.7 [B]1OC2=CC=CC=C2O1 C466137 [2,0,0,0,0,0|1,0,0]=3 349 B12R1.4 C1=CC(=CC=C1C=O)OC(F)F D124182 [0,1,1,0,0,0|1,0,0]=3 350 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=O A151684 [0,1,1,0,0,0|0,0,2]=4 351 B12R1.4 CC(C)CC1=CC=C(C=C1)C=O I157425 [0,1,1,0,0,0|2,0,0]=4 352 B12R1.4 CC(C)OC1=CC=C(C=C1)C=O I123152 [0,1,1,0,0,0|1,0,0]=3 353 B12R1.71 C#CCOC1=CC=C(C=C1)C=O P160757 [0,1,1,0,0,0|1,0,0]=3 354 B12R1.71 C1=CC(=CC=C1C=O)OCCCl C338931 [0,1,1,0,0,0|1,0,0]=3 355 B12R1.71 C1=CC(=CC=C1C=O)OCCO H157342 [0,1,1,0,0,0|0,0,0]=2 356 B12R1.71 C=CCOC1=CC=C(C=C1)C=O A353132 [0,1,1,0,0,0|1,0,0]=3 357 B12R1.71 CCCCC1=CC=C(C=C1)C=O B151931 [0,1,1,0,0,0|2,0,0]=4 358 B12R1.71 CCCOC1=CC=C(C=C1)C=O P160153 [0,1,1,0,0,0|1,0,0]=3 359 B12R1.113 C1=CC(=CC=C1CCBr)C(=O)O B123906 [0,1,1,0,0,0|2,0,0]=4 360 B12R1.113 C1=CC(=CC=C1CCO)[N+](=O)[O-] N159739 [0,1,1,0,0,0|2,0,0]=4 361 B12R1.113 CCCC1=CC=C(C=C1)C(=O)C P138618 [0,1,1,0,0,0|2,0,0]=4 362 B12R1.113 CCCC1=CC=C(C=C1)C(=O)Cl P133875 [0,1,1,0,0,0|2,0,0]=4 363 B12R1.113 CCCC1=CC=C(C=C1)C(=O)O P160279 [0,1,1,0,0,0|2,0,0]=4 364 B12R1.113 CCNC1=CC=C(C=C1)C(=O)O E331267 [0,1,1,0,0,0|2,0,0]=4 365 B12R1.113 CCOC1=CC=C(C=C1)C(=O)C E103881 [0,1,1,0,0,0|1,0,0]=3 366 B12R1.113 CCOC1=CC=C(C=C1)C(=O)Cl E131914 [0,1,1,0,0,0|1,0,0]=3 367 B12R1.113 CCOC1=CC=C(C=C1)C(=O)O E113366 [0,1,1,0,0,0|1,0,0]=3 368 B12R1.113 CCOC1=CC=C(C=C1)[N+](=O)[O-] N159806 [0,1,1,0,0,0|2,0,0]=4 369 B12R1.113 CCOC1=NC=C(C=C1)C(=O)O E349238 [0,1,1,0,0,0|2,0,0]=4 370 B12R1.113 CCSC1=CC=C(C=C1)C(=O)O E166949 [0,1,1,0,0,0|1,1,0]=4 371 B12R1.114 CCOC1=C(C=C(C=C1)C=O)Br B153187 [0,1,1,0,0,0|1,0,0]=3 372 B12R1.270 CCOC1=C(C=CC(=C1)C=O)O E107635 [0,1,1,0,0,0|1,0,0]=3 373 B12R1.270 CCOC1=C(C=CC(=C1)C=O)O E420925 [0,1,1,0,0,0|1,0,0]=3 374 B12R1.279 C1=CC(=CC(=C1)C(=O)O)CCO H588711 [0,1,1,0,0,0|1,0,0]=3 375 B12R1.279 C1=CC(=CC(=C1)[N+](=O)[O-])CCO N353696 [0,1,1,0,0,0|2,0,0]=4 376 B12R1.279 CCOC1=CC=CC(=C1)C(=O)O E185614 [0,1,1,0,0,0|1,0,0]=3 377 B12R1.279 CCOC1=CC=CC(=C1)[N+](=O)[O-] N159807 [0,1,1,0,0,0|2,0,0]=4 378 B12R1.280 CCOC1=CC=CC(=C1O)C=O E136337 [0,1,1,0,0,0|1,0,0]=3 379 B12R1.382 C#CCOC1=CC=CC(=C1)C=O P171012 [0,1,1,0,0,0|1,0,0]=3 380 B12R1.382 C1=CC(=CC(=C1)OCCO)C=O H157343 [0,1,1,0,0,0|0,0,0]=2 381 B12R1.438 CC(=O)OC1=CC=CC(=C1)C=O A136562 [0,1,1,0,0,0|0,0,2]=4 382 B12R1.48 C1=CC(=C(C=C1C(=O)O)O)C=O F135039 [0,1,1,0,0,0|2,0,0]=4 383 B12R1.48 CC(=O)C1=CC(=C(C=C1)OC)Br B192945 [0,1,1,0,0,0|1,0,0]=3 384 B12R1.48 CC(=O)C1=CC(=C(C=C1)OC)Cl C154061 [0,1,1,0,0,0|1,0,0]=3 385 B12R1.48 CC(=O)C1=CC(=C(C=C1)OC)F F123262 [0,1,1,0,0,0|1,0,0]=3 386 B12R1.48 CC(=O)C1=CC(=C(C=C1)OC)O H139073 [0,1,1,0,0,0|0,0,0]=2 387 B12R1.48 CC1=C(C=CC(=C1)C(=O)O)OC M158249 [0,1,1,0,0,0|1,0,0]=3 388 B12R1.48 CC1=C(C=CC(=C1)[N+](=O)[O-])OC M134178 [0,1,1,0,0,0|2,0,0]=4 389 B12R1.48 COC1=C(C=C(C=C1)C(=O)Cl)F F124505 [0,1,1,0,0,0|1,0,0]=3 390 B12R1.48 COC1=C(C=C(C=C1)C(=O)N)N A151420 [0,1,1,0,0,0|1,0,0]=3 391 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)Br B151835 [0,1,1,0,0,0|1,0,0]=3 392 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)Cl C136170 [0,1,1,0,0,0|1,0,0]=3 393 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)F F121780 [0,1,1,0,0,0|1,0,0]=3 394 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)I I157660 [0,1,1,0,0,0|1,0,0]=3 395 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)N A113935 [0,1,1,0,0,0|1,0,0]=3 396 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)O I113428 [0,1,1,0,0,0|0,0,0]=2 397 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])Br B153121 [0,1,1,0,0,0|2,0,0]=4 398 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])Cl C153293 [0,1,1,0,0,0|2,0,0]=4 399 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])F F122599 [0,1,1,0,0,0|2,0,0]=4 400 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])O M100616 [0,1,1,0,0,0|1,0,0]=3 401 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])[O-] N159808 [0,1,1,0,0,0|1,0,1]=4 402 B12R1.48 COC1=C(C=C(C=N1)C(=O)O)Br B189935 [0,1,1,0,0,0|2,0,0]=4 403 B12R1.48 COC1=C(N=C(C=C1)C(=O)O)Br B492065 [0,1,1,0,0,0|2,0,0]=4 404 B12R1.78 CCC1=CC(=C(C=C1)OC)OC E194090 [0,1,1,0,0,0|1,0,1]=4 405 B12R1.78 COC1=C(C=C(C=C1)C#C)OC D589107 [0,1,1,0,0,0|1,0,1]=4 406 B12R1.78 COC1=C(C=C(C=C1)C#N)OC D134348 [0,1,1,0,0,0|1,0,1]=4 407 B12R1.78 COC1=C(C=C(C=C1)C=C)OC D134400 [0,1,1,0,0,0|1,0,0]=3 408 B12R1.78 COC1=C(C=C(C=C1)C=O)OC D108637 [0,1,1,0,0,0|0,0,0]=2 409 B12R1.78 COC1=C(C=C(C=C1)CCl)OC D186293 [0,1,1,0,0,0|1,0,1]=4 410 B12R1.78 COC1=C(C=C(C=C1)CN)OC D113397 [0,1,1,0,0,0|1,0,1]=4 411 B12R1.78 COC1=C(C=C(C=C1)CO)OC V162979 [0,1,1,0,0,0|0,0,2]=4 412 B12R1.78 COC1=C(C=C(C=C1)CO)OC V426970 [0,1,1,0,0,0|0,0,2]=4 413 B12R1.78 COC1=C(N=C(C=C1)C=O)OC D165700 [0,1,1,0,0,0|1,0,0]=3 414 B12R1.78 COC1=CC(=C(C=C1)OC)OC T107287 [0,1,1,0,0,0|2,0,0]=4 415 B12R1.301 CC1=CC(=CC(=C1OC)C)C=O D193171 [0,1,1,0,0,0|1,0,0]=3 416 B12R1.450 C1=C(C(=CC(=C1O)C=O)O)C=O B300119 [0,1,1,0,0,0|2,0,0]=4 417 B12R1.450 CC1=CC(=C(C=C1OC)C)C=O D124188 [0,1,1,0,0,0|1,0,0]=3 418 B12R1.450 COC1=C(C=C(C(=C1)Br)C=O)O B123039 [0,1,1,0,0,0|0,0,0]=2 419 B12R1.450 COC1=C(C=C(C(=C1)F)C=O)F D124139 [0,1,1,0,0,0|1,0,0]=3 420 B12R1.452 C1=CC(=C(C=C1C=O)O)[N+](=O)[O-] H137340 [0,1,1,0,0,0|2,0,0]=4 421 B12R1.653 C1=CC(=C(C(=C1C=O)O)O)C=O B299923 [0,1,1,0,0,0|2,0,0]=4 422 B12R1.653 CC1=C(C=CC(=C1C)OC)C=O D124134 [0,1,1,0,0,0|1,0,0]=3 423 B12R1.653 COC1=C(C(=C(C=C1)C=O)Cl)O W135109 [0,1,1,0,0,0|0,0,0]=2 424 B12R1.653 COC1=C(C(=C(C=C1)C=O)F)F D183197 [0,1,1,0,0,0|1,0,0]=3 425 B12R1.653 COC1=C(C(=C(C=C1)C=O)I)O H167150 [0,1,1,0,0,0|0,0,0]=2 426 B12R1.56 C1=CC(=C(C=C1C(=O)O)C=O)O F133507 [0,1,1,0,0,0|2,0,0]=4 427 B12R1.56 CC(=O)C1=CC(=C(C=C1)F)OC F123263 [0,1,1,0,0,0|1,0,0]=3 428 B12R1.56 CC(=O)C1=CC(=C(C=C1)O)CO H588973 [0,1,1,0,0,0|2,0,0]=4 429 B12R1.56 CC(=O)C1=CC(=C(C=C1)O)OC H156885 [0,1,1,0,0,0|0,0,0]=2 430 B12R1.56 CC(=O)C1=CC(=C(C=C1)O)OC H424289 [0,1,1,0,0,0|0,0,0]=2 431 B12R1.56 CC1=C(C=C(C=C1)C(=O)O)OC M123414 [0,1,1,0,0,0|1,0,0]=3 432 B12R1.56 CC1=C(C=C(C=C1)[N+](=O)[O-])OC M124370 [0,1,1,0,0,0|2,0,0]=4 433 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)Cl C153822 [0,1,1,0,0,0|1,0,0]=3 434 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)F F123929 [0,1,1,0,0,0|1,0,0]=3 435 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)N A122444 [0,1,1,0,0,0|1,0,0]=3 436 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)O V104428 [0,1,1,0,0,0|0,0,0]=2 437 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)O V420927 [0,1,1,0,0,0|0,0,0]=2 438 B12R1.56 COC1=C(C=CC(=C1)C(=O)[O-])O S161403 [0,1,1,0,0,0|0,0,0]=2 439 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])Br B122581 [0,1,1,0,0,0|2,0,0]=4 440 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])Cl C122589 [0,1,1,0,0,0|2,0,0]=4 441 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])F F176516 [0,1,1,0,0,0|2,0,0]=4 442 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])I I122604 [0,1,1,0,0,0|2,0,0]=4 443 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])N M110095 [0,1,1,0,0,0|2,0,0]=4 444 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])O N159820 [0,1,1,0,0,0|1,0,0]=3 445 B12R1.300 CC1=CC(=CC(=C1O)OC)C#N H174975 [0,1,1,0,0,0|1,0,1]=4 446 B12R1.300 COC1=C(C(=CC(=C1)C#N)Br)O B152145 [0,1,1,0,0,0|1,0,1]=4 447 B12R1.300 COC1=C(C(=CC(=C1)C=O)Br)O B122967 [0,1,1,0,0,0|0,0,0]=2 448 B12R1.300 COC1=C(C(=CC(=C1)C=O)Br)O B299031 [0,1,1,0,0,0|0,0,0]=2 449 B12R1.300 COC1=C(C(=CC(=C1)C=O)Cl)O C168275 [0,1,1,0,0,0|0,0,0]=2 450 B12R1.300 COC1=C(C(=CC(=C1)C=O)F)O F124172 [0,1,1,0,0,0|0,0,0]=2 451 B12R1.300 COC1=C(C(=CC(=C1)C=O)I)O I157427 [0,1,1,0,0,0|0,0,0]=2 452 B12R1.300 COC1=C(C(=CC(=C1)C=O)I)O I471291 [0,1,1,0,0,0|0,0,0]=2 453 B12R1.300 COC1=C(C(=CC(=C1)CO)Cl)O C168442 [0,1,1,0,0,0|0,0,2]=4 454 B12R1.300 COC1=CC(=CC(=C1O)O)C=O H193175 [0,1,1,0,0,0|0,0,0]=2 455 B12R1.449 COC1=C(C=C(C(=C1)C=O)Br)O B491448 [0,1,1,0,0,0|0,0,0]=2 456 B12R1.449 COC1=C(C=C(C(=C1)C=O)F)F D294280 [0,1,1,0,0,0|1,0,0]=3 457 B12R1.453 C1=CC(=C(C=C1C=O)C(=O)O)O F156782 [0,1,1,0,0,0|2,0,0]=4 458 B12R1.453 C1=CC(=C(C=C1C=O)[N+](=O)[O-])O H156883 [0,1,1,0,0,0|2,0,0]=4 459 B12R2.82 C1OC2=C(O1)C(=C(C=C2)Br)F B180445 [1,1,0,0,0,0|1,0,0]=3 460 B12R2.82 C1OC2=C(O1)C(=C(C=C2)F)N F489933 [1,1,0,0,0,0|1,0,0]=3 461 B12R2.100 C1OC2=C(O1)C=C(C(=C2)N)N M121480 [1,1,0,0,0,0|1,0,0]=3 462 B12R2.100 C1OC2=CC(=C(C=C2O1)Br)Br D154173 [1,1,0,0,0,0|1,0,0]=3 463 B12R2.132 C1C(=O)C2=C(O1)C=CC(=C2)Br B193858 [1,1,0,0,0,0|2,0,0]=4 464 B12R2.246 C1COC2=C1C=C(C=C2Br)Br D155741 [1,1,0,0,0,0|2,0,0]=4 465 B12R2.612 C1C(=O)C2=C(O1)C=C(C=C2)F C356422 [1,1,0,0,0,0|2,0,0]=4 466 B12R2.612 C1C(=O)C2=C(O1)C=C(C=C2)O H139103 [1,1,0,0,0,0|1,0,1]=4 467 B14R2.781 B(C1=CC2=C(C=C1)OCCO2)(O)O W132665 [0,1,0,0,0,1|1,0,1]=4 468 B14R2.781 C1COC2=C(O1)C=C(C=N2)C(=O)O D166738 [0,1,0,0,0,1|1,0,0]=3 469 B14R2.781 C1COC2=C(O1)C=CC(=C2)C(=O)O B138847 [0,1,0,0,0,1|0,0,0]=2 470 B14R2.781 C1COC2=C(O1)C=CC(=C2)[N+](=O)[O-] N132790 [0,1,0,0,0,1|1,0,0]=3 471 B14R2.781 CC(=O)C1=CC2=C(C=C1)OCCO2 A151115 [0,1,0,0,0,1|0,0,0]=2 472 B14R2.2332 C1=CC2=C(C=CC(=O)O2)C=C1C=O C352704 [0,1,0,0,0,1|1,0,1]=4 473 B14R2.5998 CC(=O)C1=C(C2=C(CCC2)C=C1)O H588555 [0,2,0,0,0,0|2,0,0]=4 474 B14R2.601 CC(=O)C1=CC2=C(C=C1)NC(=O)O2 A151748 [0,2,0,0,0,0|1,0,1]=4 475 B14R2.601 CC1=NC2=C(O1)C=C(C=C2)C(=O)O M181243 [0,2,0,0,0,0|1,0,1]=4 476 B14R2.601 CC1=NC2=C(O1)C=CC(=C2)C(=O)O M187972 [0,2,0,0,0,0|1,0,1]=4 477 B14R2.624 CC(=O)C1=CC2=C(C=C1N)OCO2 A151774 [0,2,0,0,0,0|0,0,0]=2 478 B14R2.966 CCC(=O)C1=CC2=C(C=C1)OCO2 M137155 [0,2,0,0,0,0|0,0,0]=2 479 B14R2.966 COC(=O)C1=CC2=C(C=C1)N=CO2 M181077 [0,2,0,0,0,0|1,0,1]=4 480 B14R2.966 COC(=O)C1=CC2=C(C=C1)NCC2 M181438 [0,2,0,0,0,0|2,0,0]=4 481 B14R2.966 COC(=O)C1=CC2=C(C=C1)OC=N2 M188302 [0,2,0,0,0,0|1,0,1]=4 482 B14R2.3125 C1COC2=C1C=C(C=C2)S(=O)(=O)Cl D138053 [0,2,0,0,0,0|2,0,0]=4 483 B14R2.3125 C1OC2=C(O1)C=C(C=C2)S(=O)(=O)Cl B166125 [0,2,0,0,0,0|1,0,0]=3 484 B14R2.8824 C1=C(C=C2C(=C1O)O[Bi]O2)C(=O)O B305063 [0,2,0,0,0,0|1,0,0]=3 485 B14R2.991 C1OC2=C(O1)C=C(C=C2)CN=C=S B301244 [0,2,0,0,0,0|0,1,1]=4 486 B14R2.991 C1OC2=C(O1)C=C(C=C2)NCCO B195964 [0,2,0,0,0,0|0,0,2]=4 487 B14R2.1008 C1COC2=C1C=C(C=C2)CC(=O)O D186108 [0,2,0,0,0,0|1,0,0]=3 488 B14R2.1008 C1OC2=C(O1)C=C(C=C2)CC(=O)O M136536 [0,2,0,0,0,0|0,0,0]=2 489 B14R2.82 COC1=CC2=C(C=C1C=O)OCO2 M354282 [0,2,0,0,0,0|0,0,0]=2 490 B14R2.1101 COC1=CC(=CC2=C1OCO2)C=O M331390 [0,2,0,0,0,0|0,0,0]=2 491 B14R2.3303 C1=CC2=C(C=C1C=O)OC(O2)(F)F D120654 [0,2,0,0,0,0|0,0,0]=2 492 B12R2.9 C1CC1C2=CC=C(C=C2)C=O C191904 [0,0,1,1,0,0|2,0,0]=4 493 B12R2.315 C1CNC2=C1C=CC=C2C=O I167278 [0,0,1,1,0,0|2,0,0]=4 494 B12R2.315 C1OC2=CC=CC(=C2O1)C=O M158040 [0,0,1,1,0,0|0,0,0]=2 495 B12R2.315 C1OC2=CC=CC(=C2O1)CO B186519 [0,0,1,1,0,0|0,0,2]=4 496 B14R3.3022 C1OC2=C(O1)C=C3C(=C2)C=CN3 H192431 [0,1,0,1,0,0|1,0,0]=3 497 B10R2.31 C1CC2=C1C=CC(=C2)Br B132442 [1,0,0,0,1,0|2,0,0]=4 498 B12R2.24 C1CC2=C(C=CC(=C2)Br)OC1 B184223 [1,0,0,0,0,1|2,0,0]=4 499 B12R2.24 C1COC2=C(N1)C=C(C=C2)Br B586262 [1,0,0,0,0,1|2,0,0]=4 500 B12R2.24 C1COC2=C(N1)C=C(C=C2)O D588465 [1,0,0,0,0,1|1,0,1]=4 501 B12R2.24 C1COC2=C(N1)C=CC(=C2)Cl C179547 [1,0,0,0,0,1|2,0,0]=4 502 B12R2.24 C1COC2=C(O1)C=CC(=C2)Br B133470 [1,0,0,0,0,1|1,0,0]=3 503 B12R2.24 C1COC2=C(O1)C=CC(=C2)N E156480 [1,0,0,0,0,1|1,0,0]=3 504 B12R2.24 C1COC2=C(O1)C=CC(=C2)O D189394 [1,0,0,0,0,1|0,0,1]=3