0 B11R1.22 C1=CC(=CC=C1C(=O)C=O)Br B187187 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.22 C1=CC(=CC=C1C(CN)O)O O101521 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.22 C1=CC(=CC=C1C(CO)N)Br A587986 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.22 CC(=NO)C1=CC=C(C=C1)O H157119 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.22 CC1=CC=C(C=C1)C(=NO)N M168234 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.22 CC1=CC=C(C=C1)C(=O)CBr M113665 [0,0,0,0,0,0|2,0,2]=4 6 B11R1.22 CC1=CC=C(C=C1)C(=O)NN M158580 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.22 CC1=CC=C(C=C1)C(=O)OC M110633 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.22 CC1=CC=C(C=C1)N(C)C=O N159308 [0,0,0,0,0,0|1,0,0]=1 9 B11R1.22 CCC(=O)C1=CC=C(C=C1)C M102232 [0,0,0,0,0,0|2,0,2]=4 10 B11R1.22 CCC(C)C1=CC=C(C=C1)Br B136925 [0,0,0,0,0,0|2,0,1]=3 11 B11R1.22 CCC(C)C1=CC=C(C=C1)N S161429 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.22 CCC(C)C1=CC=C(C=C1)O S161081 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.22 CCC(C1=CC=C(C=C1)Cl)N C489594 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.22 CN(C=O)C1=CC=C(C=C1)Cl C153737 [0,0,0,0,0,0|2,0,0]=2 15 B11R1.22 NCC(O)C1=CC=C(O)C=C1 O408184 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.1 C1=CC(=CC=C1CC#N)Br B100849 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.1 C1=CC(=CC=C1CC#N)Cl C124714 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.1 C1=CC(=CC=C1CC#N)F F156616 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.1 C1=CC(=CC=C1CC#N)I I170725 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.1 C1=CC(=CC=C1CC#N)N A107271 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.1 C1=CC(=CC=C1CC#N)O H121848 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.1 C1=CC(=CC=C1CCBr)Br B167924 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.1 C1=CC(=CC=C1CCBr)Cl C121844 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.1 C1=CC(=CC=C1CCBr)F F121611 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.1 C1=CC(=CC=C1CCBr)O H167212 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.1 C1=CC(=CC=C1CCCl)F F156671 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.1 C1=CC(=CC=C1CCN)Br B101709 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.1 C1=CC(=CC=C1CCN)Br B494194 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.1 C1=CC(=CC=C1CCN)Br B494196 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.1 C1=CC(=CC=C1CCN)Cl C153968 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.1 C1=CC(=CC=C1CCN)Cl C493551 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.1 C1=CC(=CC=C1CCN)F F131906 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.1 C1=CC(=CC=C1CCN)F F292669 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.1 C1=CC(=CC=C1CCN)F F302836 [1,0,0,0,0,0|2,0,1]=4 35 B10R1.1 C1=CC(=CC=C1CCN)F F493198 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.1 C1=CC(=CC=C1CCN)N A151503 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.1 C1=CC(=CC=C1CCN)O T105543 [1,0,0,0,0,0|2,0,1]=4 38 B10R1.1 C1=CC(=CC=C1CCN)O T107153 [1,0,0,0,0,0|2,0,1]=4 39 B10R1.1 C1=CC(=CC=C1CCN)O T424437 [1,0,0,0,0,0|2,0,1]=4 40 B10R1.1 C1=CC(=CC=C1CCO)Br B153115 [1,0,0,0,0,0|1,0,2]=4 41 B10R1.1 C1=CC(=CC=C1CCO)Cl C121856 [1,0,0,0,0,0|1,0,2]=4 42 B10R1.1 C1=CC(=CC=C1CCO)F F136730 [1,0,0,0,0,0|1,0,2]=4 43 B10R1.1 C1=CC(=CC=C1CCO)N A151120 [1,0,0,0,0,0|1,0,2]=4 44 B10R1.1 C1=CC(=CC=C1CCO)O H106325 [1,0,0,0,0,0|1,0,2]=4 45 B10R1.1 C1=CC(=CC=C1CCO)O H118576 [1,0,0,0,0,0|1,0,2]=4 46 B10R1.1 C1=CC(=CC=C1CCO)O H424324 [1,0,0,0,0,0|1,0,2]=4 47 B10R1.1 C1=CC(=CC=C1CON)F A184897 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.1 C1=CC(=CC=C1N=C=O)Br B120150 [1,0,0,0,0,0|2,0,1]=4 49 B10R1.1 C1=CC(=CC=C1N=C=O)Cl C102129 [1,0,0,0,0,0|2,0,1]=4 50 B10R1.1 C1=CC(=CC=C1N=C=O)F F156778 [1,0,0,0,0,0|2,0,1]=4 51 B10R1.1 C1=CC(=CC=C1N=C=O)I I352477 [1,0,0,0,0,0|2,0,1]=4 52 B10R1.1 C1=CC(=CC=C1NC=O)Br N342559 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.1 C1=CC(=CC=C1NC=O)Cl N159268 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.1 C1=CC(=CC=C1NC=O)F N159255 [1,0,0,0,0,0|2,0,0]=3 55 B10R1.1 C=CCC1=CC=C(C=C1)O A589273 [1,0,0,0,0,0|2,0,0]=3 56 B10R1.1 CC1=CC=C(C=C1)CC#N P160068 [1,0,0,0,0,0|1,0,1]=3 57 B10R1.1 CC1=CC=C(C=C1)CC=C A169644 [1,0,0,0,0,0|1,0,0]=2 58 B10R1.1 CC1=CC=C(C=C1)CC=O P586228 [1,0,0,0,0,0|0,0,0]=1 59 B10R1.1 CC1=CC=C(C=C1)CCBr M469504 [1,0,0,0,0,0|1,0,1]=3 60 B10R1.1 CC1=CC=C(C=C1)CCN M493506 [1,0,0,0,0,0|1,0,1]=3 61 B10R1.1 CC1=CC=C(C=C1)CCN P101999 [1,0,0,0,0,0|1,0,1]=3 62 B10R1.1 CC1=CC=C(C=C1)CCO I135268 [1,0,0,0,0,0|0,0,2]=3 63 B10R1.1 CC1=CC=C(C=C1)CNC N300479 [1,0,0,0,0,0|2,0,0]=3 64 B10R1.1 CC1=CC=C(C=C1)N=C=O T106835 [1,0,0,0,0,0|1,0,1]=3 65 B10R1.1 CC1=CC=C(C=C1)N=C=S P160464 [1,0,0,0,0,0|1,1,1]=4 66 B10R1.1 CC1=CC=C(C=C1)NC=O M158337 [1,0,0,0,0,0|1,0,0]=2 67 B10R1.1 CCCC1=CC=C(C=C1)Br B101884 [1,0,0,0,0,0|2,0,1]=4 68 B10R1.1 CCCC1=CC=C(C=C1)C P160392 [1,0,0,0,0,0|1,0,1]=3 69 B10R1.1 CCCC1=CC=C(C=C1)Cl C303901 [1,0,0,0,0,0|2,0,1]=4 70 B10R1.1 CCCC1=CC=C(C=C1)N P136525 [1,0,0,0,0,0|2,0,1]=4 71 B10R1.1 CCCC1=CC=C(C=C1)O P136692 [1,0,0,0,0,0|2,0,1]=4 72 B10R1.1 CCNC1=CC=C(C=C1)C N158982 [1,0,0,0,0,0|2,0,1]=4 73 B10R1.1 CNCC1=CC=C(C=C1)Br B186104 [1,0,0,0,0,0|3,0,0]=4 74 B10R1.1 CNCC1=CC=C(C=C1)Cl C153967 [1,0,0,0,0,0|3,0,0]=4 75 B10R1.1 CNCC1=CC=C(C=C1)F F156709 [1,0,0,0,0,0|3,0,0]=4 76 B10R1.1 COCC1=CC=C(C=C1)Br B181671 [1,0,0,0,0,0|3,0,0]=4 77 B10R1.1 COCC1=CC=C(C=C1)O M170858 [1,0,0,0,0,0|3,0,0]=4 78 B10R1.13 B(C1=CC=C(C=C1)C)(O)O P290670 [1,0,0,0,0,0|2,0,1]=4 79 B10R1.13 B(C1=CC=C(C=C1)C)(O)O P396101 [1,0,0,0,0,0|2,0,1]=4 80 B10R1.13 B(C1=CC=C(C=C1)C)(O)O T111324 [1,0,0,0,0,0|2,0,1]=4 81 B10R1.13 C1=CC(=CC=C1C(=O)Cl)Br B103223 [1,0,0,0,0,0|2,0,1]=4 82 B10R1.13 C1=CC(=CC=C1C(=O)Cl)Cl C106079 [1,0,0,0,0,0|2,0,1]=4 83 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F F109226 [1,0,0,0,0,0|2,0,1]=4 84 B10R1.13 C1=CC(=CC=C1C(=O)Cl)I I157591 [1,0,0,0,0,0|2,0,1]=4 85 B10R1.13 C1=CC(=CC=C1C(=O)N)Br B133990 [1,0,0,0,0,0|2,0,1]=4 86 B10R1.13 C1=CC(=CC=C1C(=O)N)Cl C153725 [1,0,0,0,0,0|2,0,1]=4 87 B10R1.13 C1=CC(=CC=C1C(=O)N)F F109724 [1,0,0,0,0,0|2,0,1]=4 88 B10R1.13 C1=CC(=CC=C1C(=O)N)I I135499 [1,0,0,0,0,0|2,0,1]=4 89 B10R1.13 C1=CC(=CC=C1C(=O)N)N A107276 [1,0,0,0,0,0|2,0,1]=4 90 B10R1.13 C1=CC(=CC=C1C(=O)N)O H157094 [1,0,0,0,0,0|2,0,1]=4 91 B10R1.13 C1=CC(=CC=C1C(=O)O)Br B104344 [1,0,0,0,0,0|2,0,1]=4 92 B10R1.13 C1=CC(=CC=C1C(=O)O)Cl C104333 [1,0,0,0,0,0|2,0,1]=4 93 B10R1.13 C1=CC(=CC=C1C(=O)O)Cl C104334 [1,0,0,0,0,0|2,0,1]=4 94 B10R1.13 C1=CC(=CC=C1C(=O)O)Cl C433417 [1,0,0,0,0,0|2,0,1]=4 95 B10R1.13 C1=CC(=CC=C1C(=O)O)F F105088 [1,0,0,0,0,0|2,0,1]=4 96 B10R1.13 C1=CC(=CC=C1C(=O)O)F F105089 [1,0,0,0,0,0|2,0,1]=4 97 B10R1.13 C1=CC(=CC=C1C(=O)O)I I105098 [1,0,0,0,0,0|2,0,1]=4 98 B10R1.13 C1=CC(=CC=C1C(=O)O)N A108862 [1,0,0,0,0,0|2,0,1]=4 99 B10R1.13 C1=CC(=CC=C1C(=O)O)N A108863 [1,0,0,0,0,0|2,0,1]=4 100 B10R1.13 C1=CC(=CC=C1C(=O)O)N A421766 [1,0,0,0,0,0|2,0,1]=4 101 B10R1.13 C1=CC(=CC=C1C(=O)O)N A432150 [1,0,0,0,0,0|2,0,1]=4 102 B10R1.13 C1=CC(=CC=C1C(=O)O)O H108508 [1,0,0,0,0,0|2,0,1]=4 103 B10R1.13 C1=CC(=CC=C1C(=O)O)O H108509 [1,0,0,0,0,0|2,0,1]=4 104 B10R1.13 C1=CC(=CC=C1C(=O)O)O P427231 [1,0,0,0,0,0|2,0,1]=4 105 B10R1.13 C1=CC(=CC=C1C(=O)O)S M100780 [1,0,0,0,0,0|2,0,1]=4 106 B10R1.13 C1=CC(=CC=C1C(=O)O)S M431355 [1,0,0,0,0,0|2,0,1]=4 107 B10R1.13 C1=CC(=CC=C1C(=O)[O-])F S358726 [1,0,0,0,0,0|2,0,1]=4 108 B10R1.13 C1=CC(=CC=C1C(=O)[O-])N A111607 [1,0,0,0,0,0|2,0,1]=4 109 B10R1.13 C1=CC(=CC=C1C(=O)[O-])N A111608 [1,0,0,0,0,0|2,0,1]=4 110 B10R1.13 C1=CC(=CC=C1C(=O)[O-])N A167159 [1,0,0,0,0,0|2,0,1]=4 111 B10R1.13 C1=CC(=CC=C1C(=O)[O-])N A474259 [1,0,0,0,0,0|2,0,1]=4 112 B10R1.13 C1=CC(=CC=C1C(=O)[O-])O H105643 [1,0,0,0,0,0|2,0,1]=4 113 B10R1.13 C1=CC(=CC=C1C(=O)[O-])O H105644 [1,0,0,0,0,0|2,0,1]=4 114 B10R1.13 C1=CC(=CC=C1C(Cl)Cl)F F156706 [1,0,0,0,0,0|3,0,0]=4 115 B10R1.13 C1=CC(=CC=C1C(F)F)Br B184912 [1,0,0,0,0,0|3,0,0]=4 116 B10R1.13 C1=CC(=CC=C1F)S(=O)[O-] S195189 [1,0,0,0,0,0|3,0,0]=4 117 B10R1.13 C1=CC(=CC=C1N)[N+](=O)[O-] N111641 [1,0,0,0,0,0|3,0,0]=4 118 B10R1.13 C1=CC(=CC=C1N)[N+](=O)[O-] N111643 [1,0,0,0,0,0|3,0,0]=4 119 B10R1.13 C1=CC(=CC=C1N)[N+](=O)[O-] N117383 [1,0,0,0,0,0|3,0,0]=4 120 B10R1.13 C1=CC(=CC=C1N)[N+](=O)[O-] N158959 [1,0,0,0,0,0|3,0,0]=4 121 B10R1.13 C1=CC(=CC=C1N)[N+](=O)[O-] P276604 [1,0,0,0,0,0|3,0,0]=4 122 B10R1.13 C1=CC(=CC=C1S(=O)[O-])Cl C134302 [1,0,0,0,0,0|3,0,0]=4 123 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])Br B153155 [1,0,0,0,0,0|3,0,0]=4 124 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])Cl C108539 [1,0,0,0,0,0|3,0,0]=4 125 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])Cl C108540 [1,0,0,0,0,0|3,0,0]=4 126 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])Cl C108541 [1,0,0,0,0,0|3,0,0]=4 127 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])Cl C108542 [1,0,0,0,0,0|3,0,0]=4 128 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])F F107055 [1,0,0,0,0,0|3,0,0]=4 129 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])I I107038 [1,0,0,0,0,0|3,0,0]=4 130 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])O N108643 [1,0,0,0,0,0|3,0,0]=4 131 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])O N591132 [1,0,0,0,0,0|3,0,0]=4 132 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])O P572406 [1,0,0,0,0,0|3,0,0]=4 133 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])S N101757 [1,0,0,0,0,0|3,0,0]=4 134 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])[O-] N304726 [1,0,0,0,0,0|3,0,0]=4 135 B10R1.13 CC(=C)C1=CC=C(C=C1)F F156644 [1,0,0,0,0,0|1,0,1]=3 136 B10R1.13 CC(=C)C1=CC=C(C=C1)O P193379 [1,0,0,0,0,0|1,0,1]=3 137 B10R1.13 CC(=O)C1=CC=C(C=C1)Br B106981 [1,0,0,0,0,0|1,0,1]=3 138 B10R1.13 CC(=O)C1=CC=C(C=C1)Cl C103870 [1,0,0,0,0,0|1,0,1]=3 139 B10R1.13 CC(=O)C1=CC=C(C=C1)F F101384 [1,0,0,0,0,0|1,0,1]=3 140 B10R1.13 CC(=O)C1=CC=C(C=C1)I I107027 [1,0,0,0,0,0|1,0,1]=3 141 B10R1.13 CC(=O)C1=CC=C(C=C1)N A110613 [1,0,0,0,0,0|1,0,1]=3 142 B10R1.13 CC(=O)C1=CC=C(C=C1)N A110614 [1,0,0,0,0,0|1,0,1]=3 143 B10R1.13 CC(=O)C1=CC=C(C=C1)N A151685 [1,0,0,0,0,0|1,0,1]=3 144 B10R1.13 CC(=O)C1=CC=C(C=C1)O H102969 [1,0,0,0,0,0|1,0,1]=3 145 B10R1.13 CC(=O)C1=CC=C(C=C1)S M407301 [1,0,0,0,0,0|1,0,1]=3 146 B10R1.13 CC(=O)C1=CN=C(C=C1)Br B115765 [1,0,0,0,0,0|2,0,1]=4 147 B10R1.13 CC(=O)C1=CN=C(C=C1)Cl A151743 [1,0,0,0,0,0|2,0,1]=4 148 B10R1.13 CC(=O)C1=CN=C(C=C1)F F186855 [1,0,0,0,0,0|2,0,1]=4 149 B10R1.13 CC(=O)C1=NC=C(C=C1)Br B182791 [1,0,0,0,0,0|2,0,1]=4 150 B10R1.13 CC(=O)C1=NC=C(C=C1)O H194521 [1,0,0,0,0,0|2,0,1]=4 151 B10R1.13 CC(C)C1=CC=C(C=C1)Br B102079 [1,0,0,0,0,0|1,0,1]=3 152 B10R1.13 CC(C)C1=CC=C(C=C1)I I587659 [1,0,0,0,0,0|1,0,1]=3 153 B10R1.13 CC(C)C1=CC=C(C=C1)N I101369 [1,0,0,0,0,0|1,0,1]=3 154 B10R1.13 CC(C)C1=CC=C(C=C1)N I106863 [1,0,0,0,0,0|1,0,1]=3 155 B10R1.13 CC(C)C1=CC=C(C=C1)O I101756 [1,0,0,0,0,0|1,0,1]=3 156 B10R1.13 CC(C)C1=CC=C(C=C1)S I101777 [1,0,0,0,0,0|1,0,1]=3 157 B10R1.13 CC(C)C1=NC=C(C=C1)Br B586459 [1,0,0,0,0,0|2,0,1]=4 158 B10R1.13 CC(C)C1=NC=C(C=C1)N P176415 [1,0,0,0,0,0|2,0,1]=4 159 B10R1.13 CC(C1=CC=C(C=C1)Br)N B113790 [1,0,0,0,0,0|2,0,0]=3 160 B10R1.13 CC(C1=CC=C(C=C1)Br)N B151926 [1,0,0,0,0,0|2,0,0]=3 161 B10R1.13 CC(C1=CC=C(C=C1)Br)N R138868 [1,0,0,0,0,0|2,0,0]=3 162 B10R1.13 CC(C1=CC=C(C=C1)Br)N R409459 [1,0,0,0,0,0|2,0,0]=3 163 B10R1.13 CC(C1=CC=C(C=C1)Br)O B153117 [1,0,0,0,0,0|1,0,1]=3 164 B10R1.13 CC(C1=CC=C(C=C1)Br)O I131837 [1,0,0,0,0,0|1,0,1]=3 165 B10R1.13 CC(C1=CC=C(C=C1)Cl)N C111118 [1,0,0,0,0,0|2,0,0]=3 166 B10R1.13 CC(C1=CC=C(C=C1)Cl)N C171312 [1,0,0,0,0,0|2,0,0]=3 167 B10R1.13 CC(C1=CC=C(C=C1)Cl)N C185668 [1,0,0,0,0,0|2,0,0]=3 168 B10R1.13 CC(C1=CC=C(C=C1)Cl)N R588512 [1,0,0,0,0,0|2,0,0]=3 169 B10R1.13 CC(C1=CC=C(C=C1)Cl)O C153305 [1,0,0,0,0,0|1,0,1]=3 170 B10R1.13 CC(C1=CC=C(C=C1)Cl)O S196166 [1,0,0,0,0,0|1,0,1]=3 171 B10R1.13 CC(C1=CC=C(C=C1)F)N F122770 [1,0,0,0,0,0|2,0,0]=3 172 B10R1.13 CC(C1=CC=C(C=C1)F)N R303591 [1,0,0,0,0,0|2,0,0]=3 173 B10R1.13 CC(C1=CC=C(C=C1)F)O F156599 [1,0,0,0,0,0|1,0,1]=3 174 B10R1.13 CC(C1=CC=C(C=C1)I)N I195715 [1,0,0,0,0,0|2,0,0]=3 175 B10R1.13 CC(C1=CC=C(C=C1)I)N L489513 [1,0,0,0,0,0|2,0,0]=3 176 B10R1.13 CC(C1=CC=C(C=C1)I)N R489522 [1,0,0,0,0,0|2,0,0]=3 177 B10R1.13 CC(C1=CC=C(C=C1)I)N S489515 [1,0,0,0,0,0|2,0,0]=3 178 B10R1.13 CC(C1=CC=C(C=C1)N)O H167342 [1,0,0,0,0,0|1,0,1]=3 179 B10R1.13 CC(C1=CC=C(C=C1)O)O H192225 [1,0,0,0,0,0|1,0,1]=3 180 B10R1.13 CC(C1=CN=C(C=C1)Cl)N C489471 [1,0,0,0,0,0|3,0,0]=4 181 B10R1.13 CC(C1=NC=C(C=C1)Br)N B489562 [1,0,0,0,0,0|3,0,0]=4 182 B10R1.13 CC(C1=NC=C(C=C1)Br)N R489263 [1,0,0,0,0,0|3,0,0]=4 183 B10R1.13 CC(C1=NC=C(C=C1)Br)N S489604 [1,0,0,0,0,0|3,0,0]=4 184 B10R1.13 CC1=CC=C(C=C1)C(=C)C I157628 [1,0,0,0,0,0|0,0,1]=2 185 B10R1.13 CC1=CC=C(C=C1)C(=N)N M135239 [1,0,0,0,0,0|2,0,1]=4 186 B10R1.13 CC1=CC=C(C=C1)C(=O)C M106726 [1,0,0,0,0,0|0,0,1]=2 187 B10R1.13 CC1=CC=C(C=C1)C(=O)C M140798 [1,0,0,0,0,0|0,0,1]=2 188 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl T106376 [1,0,0,0,0,0|1,0,1]=3 189 B10R1.13 CC1=CC=C(C=C1)C(=O)N P160467 [1,0,0,0,0,0|1,0,1]=3 190 B10R1.13 CC1=CC=C(C=C1)C(=O)O T104320 [1,0,0,0,0,0|1,0,1]=3 191 B10R1.13 CC1=CC=C(C=C1)C(=O)O T119535 [1,0,0,0,0,0|1,0,1]=3 192 B10R1.13 CC1=CC=C(C=C1)C(=O)O T305431 [1,0,0,0,0,0|1,0,1]=3 193 B10R1.13 CC1=CC=C(C=C1)C(=S)N M140148 [1,0,0,0,0,0|1,1,1]=4 194 B10R1.13 CC1=CC=C(C=C1)C(C)C D102667 [1,0,0,0,0,0|0,0,1]=2 195 B10R1.13 CC1=CC=C(C=C1)C(C)C D118512 [1,0,0,0,0,0|0,0,1]=2 196 B10R1.13 CC1=CC=C(C=C1)C(C)C I105448 [1,0,0,0,0,0|0,0,1]=2 197 B10R1.13 CC1=CC=C(C=C1)C(C)C I105449 [1,0,0,0,0,0|0,0,1]=2 198 B10R1.13 CC1=CC=C(C=C1)C(C)C I105451 [1,0,0,0,0,0|0,0,1]=2 199 B10R1.13 CC1=CC=C(C=C1)C(C)N D113666 [1,0,0,0,0,0|1,0,0]=2 200 B10R1.13 CC1=CC=C(C=C1)C(C)N P160184 [1,0,0,0,0,0|1,0,0]=2 201 B10R1.13 CC1=CC=C(C=C1)C(C)N R160847 [1,0,0,0,0,0|1,0,0]=2 202 B10R1.13 CC1=CC=C(C=C1)C(C)O P160711 [1,0,0,0,0,0|0,0,1]=2 203 B10R1.13 CC1=CC=C(C=C1)N(C)C N158974 [1,0,0,0,0,0|1,0,1]=3 204 B10R1.13 CC1=CC=C(C=C1)S(=O)C M304998 [1,0,0,0,0,0|1,0,0]=2 205 B10R1.13 CC1=CC=C(C=C1)S(=O)N I168991 [1,0,0,0,0,0|2,0,0]=3 206 B10R1.13 CC1=CC=C(C=C1)S(=O)N S161364 [1,0,0,0,0,0|2,0,0]=3 207 B10R1.13 CC1=CC=C(C=C1)S(=O)[O-] L348763 [1,0,0,0,0,0|2,0,0]=3 208 B10R1.13 CC1=CC=C(C=C1)S(=O)[O-] S100400 [1,0,0,0,0,0|2,0,0]=3 209 B10R1.13 CC1=CC=C(C=C1)S(=O)[O-] S100401 [1,0,0,0,0,0|2,0,0]=3 210 B10R1.13 CC1=CC=C(C=C1)S(=O)[O-] S161159 [1,0,0,0,0,0|2,0,0]=3 211 B10R1.13 CC1=CC=C(C=C1)[N+](=O)[O-] N104645 [1,0,0,0,0,0|2,0,0]=3 212 B10R1.13 CC1=CC=C(C=C1)[N+](=O)[O-] N104647 [1,0,0,0,0,0|2,0,0]=3 213 B10R1.13 CC1=CC=C(C=C1)[N+](=O)[O-] N118455 [1,0,0,0,0,0|2,0,0]=3 214 B10R1.13 CC1=CC=C(C=C1)[N+](=O)[O-] N119545 [1,0,0,0,0,0|2,0,0]=3 215 B10R1.13 CC1=CC=C(CC1)C(C)C A151162 [1,0,0,0,0,0|0,0,3]=4 216 B10R1.13 CC1=CCC(=CC1)C(C)C G156812 [1,0,0,0,0,0|0,0,3]=4 217 B10R1.13 CC1=CCC(C=C1)C(C)C A151161 [1,0,0,0,0,0|0,0,3]=4 218 B10R1.13 CC1=CN=C(C=C1)C(=O)C A185017 [1,0,0,0,0,0|1,0,1]=3 219 B10R1.13 CC1=CN=C(C=C1)C(=O)O M193433 [1,0,0,0,0,0|2,0,1]=4 220 B10R1.13 CC1=CN=C(C=C1)[N+](=O)[O-] N179288 [1,0,0,0,0,0|3,0,0]=4 221 B10R1.13 CC1=NC=C(C=C1)C(=O)C A123439 [1,0,0,0,0,0|1,0,1]=3 222 B10R1.13 CC1=NC=C(C=C1)C(=O)N M139191 [1,0,0,0,0,0|2,0,1]=4 223 B10R1.13 CC1=NC=C(C=C1)C(=O)O M128104 [1,0,0,0,0,0|2,0,1]=4 224 B10R1.13 CC1=NC=C(C=C1)[N+](=O)[O-] M120570 [1,0,0,0,0,0|3,0,0]=4 225 B10R1.13 CN(C)C1=CC=C(C=C1)Br B120305 [1,0,0,0,0,0|2,0,1]=4 226 B10R1.13 CN(C)C1=CC=C(C=C1)F F156712 [1,0,0,0,0,0|2,0,1]=4 227 B10R1.13 CN(C)C1=CC=C(C=C1)N D100438 [1,0,0,0,0,0|2,0,1]=4 228 B10R1.13 CN(C)C1=CC=C(C=C1)N D105596 [1,0,0,0,0,0|2,0,1]=4 229 B10R1.13 CN(C)C1=CC=C(C=C1)N D106285 [1,0,0,0,0,0|2,0,1]=4 230 B10R1.13 CN(C)C1=CC=C(C=C1)N D110992 [1,0,0,0,0,0|2,0,1]=4 231 B10R1.13 CN(C)C1=CC=C(C=C1)N D110993 [1,0,0,0,0,0|2,0,1]=4 232 B10R1.13 CN(C)C1=CC=C(C=C1)N I168425 [1,0,0,0,0,0|2,0,1]=4 233 B10R1.13 CN(C)C1=CC=C(C=C1)O D194230 [1,0,0,0,0,0|2,0,1]=4 234 B10R1.13 CN(C)C1=CC=C(C=C1)S D155401 [1,0,0,0,0,0|2,0,1]=4 235 B10R1.13 CS(=O)C1=CC=C(C=C1)Br B188392 [1,0,0,0,0,0|2,0,0]=3 236 B10R1.13 C[S+](C)C1=CC=C(C=C1)O H156984 [1,0,0,0,0,0|2,0,1]=4 237 B10R1.15 C#CC(C1=CC=CC=C1)O P107039 [1,0,0,0,0,0|2,0,1]=4 238 B10R1.15 C1=CC=C(C=C1)C(=O)C=O P165810 [1,0,0,0,0,0|1,0,1]=3 239 B10R1.15 C1=CC=C(C=C1)C(C#N)N P170863 [1,0,0,0,0,0|2,0,1]=4 240 B10R1.15 C1=CC=C(C=C1)C(CBr)Br D304999 [1,0,0,0,0,0|2,0,1]=4 241 B10R1.15 C1=CC=C(C=C1)C(CBr)O B192257 [1,0,0,0,0,0|2,0,1]=4 242 B10R1.15 C1=CC=C(C=C1)C(CCl)O R304018 [1,0,0,0,0,0|2,0,1]=4 243 B10R1.15 C1=CC=C(C=C1)C(CCl)O S304439 [1,0,0,0,0,0|2,0,1]=4 244 B10R1.15 C1=CC=C(C=C1)C(CN)O A102440 [1,0,0,0,0,0|2,0,1]=4 245 B10R1.15 C1=CC=C(C=C1)C(CN)O A151123 [1,0,0,0,0,0|2,0,1]=4 246 B10R1.15 C1=CC=C(C=C1)C(CN)O R138565 [1,0,0,0,0,0|2,0,1]=4 247 B10R1.15 C1=CC=C(C=C1)C(CO)N P109343 [1,0,0,0,0,0|1,0,2]=4 248 B10R1.15 C1=CC=C(C=C1)C(CO)N P117139 [1,0,0,0,0,0|1,0,2]=4 249 B10R1.15 C1=CC=C(C=C1)C(CO)N P160161 [1,0,0,0,0,0|1,0,2]=4 250 B10R1.15 C1=CC=C(C=C1)C(CO)O P100518 [1,0,0,0,0,0|1,0,2]=4 251 B10R1.15 C1=CC=C(C=C1)C(CO)O P100519 [1,0,0,0,0,0|1,0,2]=4 252 B10R1.15 C1=CC=C(C=C1)C(CO)O P112689 [1,0,0,0,0,0|1,0,2]=4 253 B10R1.15 C=CC(=O)C1=CC=CC=C1 P304587 [1,0,0,0,0,0|2,0,1]=4 254 B10R1.15 C=CC(C1=CC=CC=C1)Cl V303368 [1,0,0,0,0,0|2,0,0]=3 255 B10R1.15 C=CC(C1=CC=CC=C1)O V189138 [1,0,0,0,0,0|2,0,0]=3 256 B10R1.15 CC(=NO)C1=CC=CC=C1 A151383 [1,0,0,0,0,0|1,0,2]=4 257 B10R1.15 CC(=NO)C1=CC=CC=C1 A467913 [1,0,0,0,0,0|1,0,2]=4 258 B10R1.15 CC(C#N)C1=CC=CC=C1 M468313 [1,0,0,0,0,0|1,0,1]=3 259 B10R1.15 CC(C1=CC=CC=C1)NC I168221 [1,0,0,0,0,0|2,0,0]=3 260 B10R1.15 CC(C1=CC=CC=C1)NC I171118 [1,0,0,0,0,0|2,0,0]=3 261 B10R1.15 CC(C1=CC=CC=C1)NC I286935 [1,0,0,0,0,0|2,0,0]=3 262 B10R1.15 CC(C1=CC=CC=C1)[N+]#[C-] B300007 [1,0,0,0,0,0|2,0,0]=3 263 B10R1.15 CC(C=O)C1=CC=CC=C1 P160754 [1,0,0,0,0,0|0,0,0]=1 264 B10R1.15 CC(CN)C1=CC=CC=C1 P191947 [1,0,0,0,0,0|1,0,1]=3 265 B10R1.15 CC(CN)C1=CC=CC=C1 R160849 [1,0,0,0,0,0|1,0,1]=3 266 B10R1.15 CC(CO)C1=CC=CC=C1 P160710 [1,0,0,0,0,0|0,0,2]=3 267 B10R1.15 CC(CO)C1=CC=CC=C1 R489486 [1,0,0,0,0,0|0,0,2]=3 268 B10R1.15 CCC(C)C1=CC=CC=C1 B100253 [1,0,0,0,0,0|1,0,1]=3 269 B10R1.15 CCC(C)C1=CC=CC=C1 B100254 [1,0,0,0,0,0|1,0,1]=3 270 B10R1.15 CCC(C)C1=CC=CC=C1 B128164 [1,0,0,0,0,0|1,0,1]=3 271 B10R1.15 CCC(C1=CC=CC=C1)N E334013 [1,0,0,0,0,0|2,0,1]=4 272 B10R1.15 CCC(C1=CC=CC=C1)N R138647 [1,0,0,0,0,0|2,0,1]=4 273 B10R1.15 CCC(C1=CC=CC=C1)N R639496 [1,0,0,0,0,0|2,0,1]=4 274 B10R1.15 CCC(C1=CC=CC=C1)N S135110 [1,0,0,0,0,0|2,0,1]=4 275 B10R1.15 CCC(C1=CC=CC=C1)O P107008 [1,0,0,0,0,0|2,0,1]=4 276 B10R1.15 CCC(C1=CC=CC=C1)O R138307 [1,0,0,0,0,0|2,0,1]=4 277 B10R1.15 CCC(C1=CC=CC=C1)O S161360 [1,0,0,0,0,0|2,0,1]=4 278 B10R1.15 CCN(C)C1=CC=CC=C1 N589658 [1,0,0,0,0,0|2,0,1]=4 279 B10R1.15 CN(C1=CC=CC=C1)N=O N134509 [1,0,0,0,0,0|2,0,0]=3 280 B10R1.15 CN(C=O)C1=CC=CC=C1 M106700 [1,0,0,0,0,0|1,0,0]=2 281 B10R1.15 C[C@H](CO)C1=CC=CC=C1 S489449 [1,0,0,0,0,0|0,0,2]=3 282 B10R1.15 C\C=C(\C)/C1=CC=CC=C1 C348081 [1,0,0,0,0,0|1,0,1]=3 283 B12R1.5 CN(C=O)C1=CC=C(C=C1)OC M158114 [0,1,0,0,0,0|1,0,0]=2 284 B12R1.9 CC(C)(C#N)C1=CC=C(C=C1)Br B178735 [0,1,0,0,0,0|2,0,1]=4 285 B12R1.9 CC(C)(C#N)C1=CC=C(C=C1)N A179708 [0,1,0,0,0,0|2,0,1]=4 286 B12R1.9 CC(C)(CN)C1=CC=C(C=C1)Cl C300160 [0,1,0,0,0,0|2,0,1]=4 287 B12R1.9 CCC(C)(C)C1=CC=C(C=C1)O T162418 [0,1,0,0,0,0|2,0,1]=4 288 B12R1.9 CCC(C)(C)C1=CC=C(C=C1)O T434881 [0,1,0,0,0,0|2,0,1]=4 289 B12R1.12 CCN(CC)C1=CC=C(C=C1)C D140171 [0,1,0,0,0,0|2,0,1]=4 290 B12R1.12 COC(C1=CC=C(C=C1)Br)OC B169008 [0,1,0,0,0,0|3,0,0]=4 291 B12R1.12 COC(C1=CC=C(C=C1)Cl)OC C351710 [0,1,0,0,0,0|3,0,0]=4 292 B12R1.16 C=CCC(C1=CC=C(C=C1)Cl)O C468752 [0,1,0,0,0,0|3,0,0]=4 293 B12R1.20 C1=CC(=CC=C1C(=O)C(=O)O)Cl C349356 [0,1,0,0,0,0|2,0,1]=4 294 B12R1.20 C1=CC(=CC=C1C(C(=O)O)Br)Cl B138689 [0,1,0,0,0,0|2,0,0]=3 295 B12R1.20 C1=CC(=CC=C1C(C(=O)O)Br)F B469036 [0,1,0,0,0,0|2,0,0]=3 296 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Br A186179 [0,1,0,0,0,0|2,0,0]=3 297 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Cl H194523 [0,1,0,0,0,0|2,0,0]=3 298 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Cl S161342 [0,1,0,0,0,0|2,0,0]=3 299 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)F F156773 [0,1,0,0,0,0|2,0,0]=3 300 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)F F336450 [0,1,0,0,0,0|2,0,0]=3 301 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)O A305005 [0,1,0,0,0,0|2,0,0]=3 302 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)O H111804 [0,1,0,0,0,0|2,0,0]=3 303 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)O H157171 [0,1,0,0,0,0|2,0,0]=3 304 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Br B152295 [0,1,0,0,0,0|2,0,0]=3 305 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Cl C153313 [0,1,0,0,0,0|2,0,0]=3 306 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Cl C153759 [0,1,0,0,0,0|2,0,0]=3 307 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Cl S194966 [0,1,0,0,0,0|2,0,0]=3 308 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)F F156734 [0,1,0,0,0,0|2,0,0]=3 309 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)F R472395 [0,1,0,0,0,0|2,0,0]=3 310 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)O H133163 [0,1,0,0,0,0|2,0,0]=3 311 B12R1.20 CC(C1=CC=C(C=C1)O)C(=O)O H156996 [0,1,0,0,0,0|1,0,0]=2 312 B12R1.20 CC1=CC=C(C=C1)C(C(=O)O)N A181169 [0,1,0,0,0,0|1,0,0]=2 313 B12R1.20 CC1=CC=C(C=C1)C(C)C(=O)O P195954 [0,1,0,0,0,0|0,0,0]=1 314 B12R2.612 CC1=CNC2=C1C=CC(=C2)Br B172675 [0,0,0,1,0,0|2,0,1]=4 315 B12R2.612 CN1C=CC2=C1C=CC(=C2)Br B165377 [0,0,0,1,0,0|3,0,0]=4 316 B12R2.612 CN1C=CC2=C1C=CC(=C2)N A178842 [0,0,0,1,0,0|3,0,0]=4 317 B12R2.612 CN1C=NC2=C1C=CC(=C2)Br B176714 [0,0,0,1,0,0|3,0,0]=4 318 B12R2.612 CN1C=NC2=C1C=CC(=C2)O M184845 [0,0,0,1,0,0|3,0,0]=4 319 B12R2.2302 C1C(CO1)C2=CC=C(C=C2)Br B587155 [0,0,0,1,0,0|1,0,2]=4 320 B9R1.1 C1=CC(=CC=C1C=O)Br B109177 [2,0,0,0,0,0|1,0,0]=3 321 B9R1.1 C1=CC(=CC=C1C=O)Br B419287 [2,0,0,0,0,0|1,0,0]=3 322 B9R1.1 C1=CC(=CC=C1C=O)Cl C104155 [2,0,0,0,0,0|1,0,0]=3 323 B9R1.1 C1=CC(=CC=C1C=O)F F109178 [2,0,0,0,0,0|1,0,0]=3 324 B9R1.1 C1=CC(=CC=C1C=O)I I138274 [2,0,0,0,0,0|1,0,0]=3 325 B9R1.1 C1=CC(=CC=C1C=O)N A303975 [2,0,0,0,0,0|1,0,0]=3 326 B9R1.1 C1=CC(=CC=C1C=O)N A405596 [2,0,0,0,0,0|1,0,0]=3 327 B9R1.1 C1=CC(=CC=C1C=O)O H100420 [2,0,0,0,0,0|1,0,0]=3 328 B9R1.1 C1=CC(=CC=C1C=O)O H100421 [2,0,0,0,0,0|1,0,0]=3 329 B9R1.1 C1=CC(=CC=C1C=O)O H431620 [2,0,0,0,0,0|1,0,0]=3 330 B9R1.1 C1=CC(=CC=C1CBr)Br B171105 [2,0,0,0,0,0|2,0,0]=4 331 B9R1.1 C1=CC(=CC=C1CBr)Cl C135867 [2,0,0,0,0,0|2,0,0]=4 332 B9R1.1 C1=CC(=CC=C1CBr)F F120595 [2,0,0,0,0,0|2,0,0]=4 333 B9R1.1 C1=CC(=CC=C1CBr)I I122909 [2,0,0,0,0,0|2,0,0]=4 334 B9R1.1 C1=CC(=CC=C1CCl)Br B113785 [2,0,0,0,0,0|2,0,0]=4 335 B9R1.1 C1=CC(=CC=C1CCl)Cl C106513 [2,0,0,0,0,0|2,0,0]=4 336 B9R1.1 C1=CC(=CC=C1CCl)F F100905 [2,0,0,0,0,0|2,0,0]=4 337 B9R1.1 C1=CC(=CC=C1CN)Br B133133 [2,0,0,0,0,0|2,0,0]=4 338 B9R1.1 C1=CC(=CC=C1CN)Br B136595 [2,0,0,0,0,0|2,0,0]=4 339 B9R1.1 C1=CC(=CC=C1CN)Cl C117222 [2,0,0,0,0,0|2,0,0]=4 340 B9R1.1 C1=CC(=CC=C1CN)Cl C493514 [2,0,0,0,0,0|2,0,0]=4 341 B9R1.1 C1=CC(=CC=C1CN)F F111212 [2,0,0,0,0,0|2,0,0]=4 342 B9R1.1 C1=CC(=CC=C1CN)F F292633 [2,0,0,0,0,0|2,0,0]=4 343 B9R1.1 C1=CC(=CC=C1CN)F F292646 [2,0,0,0,0,0|2,0,0]=4 344 B9R1.1 C1=CC(=CC=C1CN)F F404486 [2,0,0,0,0,0|2,0,0]=4 345 B9R1.1 C1=CC(=CC=C1CN)I I171122 [2,0,0,0,0,0|2,0,0]=4 346 B9R1.1 C1=CC(=CC=C1CN)N A151636 [2,0,0,0,0,0|2,0,0]=4 347 B9R1.1 C1=CC(=CC=C1CN)N A193875 [2,0,0,0,0,0|2,0,0]=4 348 B9R1.1 C1=CC(=CC=C1CN)O A139192 [2,0,0,0,0,0|2,0,0]=4 349 B9R1.1 C1=CC(=CC=C1CN)O A187992 [2,0,0,0,0,0|2,0,0]=4 350 B9R1.1 C1=CC(=CC=C1CO)Br B139372 [2,0,0,0,0,0|1,0,1]=4 351 B9R1.1 C1=CC(=CC=C1CO)Cl C109479 [2,0,0,0,0,0|1,0,1]=4 352 B9R1.1 C1=CC(=CC=C1CO)F F156598 [2,0,0,0,0,0|1,0,1]=4 353 B9R1.1 C1=CC(=CC=C1CO)I I138398 [2,0,0,0,0,0|1,0,1]=4 354 B9R1.1 C1=CC(=CC=C1CO)N A107272 [2,0,0,0,0,0|1,0,1]=4 355 B9R1.1 C1=CC(=CC=C1CO)O H107912 [2,0,0,0,0,0|1,0,1]=4 356 B9R1.1 C1=CC(=CC=C1CS)Br B101799 [2,0,0,0,0,0|1,1,0]=4 357 B9R1.1 C1=CC(=CC=C1CS)Cl C101789 [2,0,0,0,0,0|1,1,0]=4 358 B9R1.1 C1=CC(=CC=C1CS)F F101796 [2,0,0,0,0,0|1,1,0]=4 359 B9R1.1 C1=CC(=CC=C1N=O)O N159523 [2,0,0,0,0,0|2,0,0]=4 360 B9R1.1 C1=CC(=NC=C1Br)C=O B119147 [2,0,0,0,0,0|2,0,0]=4 361 B9R1.1 C1=CC(=NC=C1C=O)Br B115763 [2,0,0,0,0,0|2,0,0]=4 362 B9R1.1 C1=CC(=NC=C1C=O)Cl C122666 [2,0,0,0,0,0|2,0,0]=4 363 B9R1.1 C1=CC(=NC=C1C=O)F F185975 [2,0,0,0,0,0|2,0,0]=4 364 B9R1.1 C1=CC(=NC=C1C=O)N A177224 [2,0,0,0,0,0|2,0,0]=4 365 B9R1.1 C1=CC(=NC=C1Cl)C=O C154077 [2,0,0,0,0,0|2,0,0]=4 366 B9R1.1 C1=CC(=NC=C1O)C=O H192663 [2,0,0,0,0,0|2,0,0]=4 367 B9R1.1 C1=CC(=O)NC=C1C=O H179130 [2,0,0,0,0,0|2,0,0]=4 368 B9R1.1 C=CC1=CC=C(C=C1)Br B102167 [2,0,0,0,0,0|1,0,1]=4 369 B9R1.1 C=CC1=CC=C(C=C1)Cl C121719 [2,0,0,0,0,0|1,0,1]=4 370 B9R1.1 C=CC1=CC=C(C=C1)F F107117 [2,0,0,0,0,0|1,0,1]=4 371 B9R1.1 C=CC1=CC=C(C=C1)F F407667 [2,0,0,0,0,0|1,0,1]=4 372 B9R1.1 C=CC1=CC=C(C=C1)N A151485 [2,0,0,0,0,0|1,0,1]=4 373 B9R1.1 C=CC1=CC=C(C=C1)O H189096 [2,0,0,0,0,0|1,0,1]=4 374 B9R1.1 CC1=CC=C(C=C1)C#C E106375 [2,0,0,0,0,0|0,0,2]=4 375 B9R1.1 CC1=CC=C(C=C1)C#N P160229 [2,0,0,0,0,0|1,0,1]=4 376 B9R1.1 CC1=CC=C(C=C1)C=C M158348 [2,0,0,0,0,0|0,0,1]=3 377 B9R1.1 CC1=CC=C(C=C1)C=O M105910 [2,0,0,0,0,0|0,0,0]=2 378 B9R1.1 CC1=CC=C(C=C1)CBr M109534 [2,0,0,0,0,0|1,0,0]=3 379 B9R1.1 CC1=CC=C(C=C1)CCl A101683 [2,0,0,0,0,0|1,0,0]=3 380 B9R1.1 CC1=CC=C(C=C1)CCl A164460 [2,0,0,0,0,0|1,0,0]=3 381 B9R1.1 CC1=CC=C(C=C1)CN M158669 [2,0,0,0,0,0|1,0,0]=3 382 B9R1.1 CC1=CC=C(C=C1)CO M113648 [2,0,0,0,0,0|0,0,1]=3 383 B9R1.1 CC1=CC=C(C=C1)CS M113646 [2,0,0,0,0,0|0,1,0]=3 384 B9R1.1 CC1=CC=C(C=C1)NC N159024 [2,0,0,0,0,0|1,0,0]=3 385 B9R1.1 CC1=CC=C(C=C1)NN T109603 [2,0,0,0,0,0|2,0,0]=4 386 B9R1.1 CC1=CC=C(C=C1)OC M106728 [2,0,0,0,0,0|1,0,0]=3 387 B9R1.1 CC1=CC=C(C=C1)SC M101848 [2,0,0,0,0,0|1,0,0]=3 388 B9R1.1 CC1=CN=C(C=C1)C=O M170606 [2,0,0,0,0,0|1,0,0]=3 389 B9R1.1 CC1=CN=C(C=C1)CN M589171 [2,0,0,0,0,0|2,0,0]=4 390 B9R1.1 CC1=CN=C(C=C1)OC M181247 [2,0,0,0,0,0|2,0,0]=4 391 B9R1.1 CC1=CN=C(C=N1)C=O M176646 [2,0,0,0,0,0|2,0,0]=4 392 B9R1.1 CC1=NC=C(C=C1)C=O W134999 [2,0,0,0,0,0|1,0,0]=3 393 B9R1.1 CC1=NC=C(C=C1)CO W136158 [2,0,0,0,0,0|1,0,1]=4 394 B9R1.1 CCC1=CC=C(C=C1)Br B101890 [2,0,0,0,0,0|1,0,0]=3 395 B9R1.1 CCC1=CC=C(C=C1)Br B141181 [2,0,0,0,0,0|1,0,0]=3 396 B9R1.1 CCC1=CC=C(C=C1)C E123489 [2,0,0,0,0,0|0,0,0]=2 397 B9R1.1 CCC1=CC=C(C=C1)Cl C171229 [2,0,0,0,0,0|1,0,0]=3 398 B9R1.1 CCC1=CC=C(C=C1)I E189089 [2,0,0,0,0,0|1,0,0]=3 399 B9R1.1 CCC1=CC=C(C=C1)N E102230 [2,0,0,0,0,0|1,0,0]=3 400 B9R1.1 CCC1=CC=C(C=C1)O E115497 [2,0,0,0,0,0|1,0,0]=3 401 B9R1.1 CCC1=CC=C(C=C1)S E156190 [2,0,0,0,0,0|1,0,0]=3 402 B9R1.1 CCC1=CN=C(C=C1)C E101695 [2,0,0,0,0,0|1,0,0]=3 403 B9R1.1 CCC1=CN=C(C=C1)N E587963 [2,0,0,0,0,0|2,0,0]=4 404 B9R1.1 CCC1=NC=C(N=C1)C E302421 [2,0,0,0,0,0|2,0,0]=4 405 B9R1.1 CC[N+]1=CC=C(C=C1)C E303436 [2,0,0,0,0,0|1,0,0]=3 406 B9R1.1 CNC1=CC=C(C=C1)Br B304406 [2,0,0,0,0,0|2,0,0]=4 407 B9R1.1 CNC1=CC=C(C=C1)Cl C139458 [2,0,0,0,0,0|2,0,0]=4 408 B9R1.1 CNC1=CC=C(C=C1)F F170454 [2,0,0,0,0,0|2,0,0]=4 409 B9R1.1 CNC1=CC=C(C=C1)N N589686 [2,0,0,0,0,0|2,0,0]=4 410 B9R1.1 COC1=CC=C(C=C1)Br B108656 [2,0,0,0,0,0|2,0,0]=4 411 B9R1.1 COC1=CC=C(C=C1)Cl C113571 [2,0,0,0,0,0|2,0,0]=4 412 B9R1.1 COC1=CC=C(C=C1)F F123675 [2,0,0,0,0,0|2,0,0]=4 413 B9R1.1 COC1=CC=C(C=C1)I I107035 [2,0,0,0,0,0|2,0,0]=4 414 B9R1.1 COC1=CC=C(C=C1)I L359048 [2,0,0,0,0,0|2,0,0]=4 415 B9R1.1 COC1=CC=C(C=C1)N A106071 [2,0,0,0,0,0|2,0,0]=4 416 B9R1.1 COC1=CC=C(C=C1)N A615348 [2,0,0,0,0,0|2,0,0]=4 417 B9R1.1 COC1=CC=C(C=C1)N P160121 [2,0,0,0,0,0|2,0,0]=4 418 B9R1.1 COC1=CC=C(C=C1)O M104222 [2,0,0,0,0,0|2,0,0]=4 419 B9R1.1 COC1=CC=C(C=C1)S M101780 [2,0,0,0,0,0|2,0,0]=4 420 B9R1.1 COC1=CC=C(O)C=C1 M408201 [2,0,0,0,0,0|2,0,0]=4 421 B9R1.1 CSC1=CC=C(C=C1)Br B101844 [2,0,0,0,0,0|2,0,0]=4 422 B9R1.1 CSC1=CC=C(C=C1)Cl C101840 [2,0,0,0,0,0|2,0,0]=4 423 B9R1.1 CSC1=CC=C(C=C1)F F101837 [2,0,0,0,0,0|2,0,0]=4 424 B9R1.1 CSC1=CC=C(C=C1)N M101835 [2,0,0,0,0,0|2,0,0]=4 425 B9R1.1 CSC1=CC=C(C=C1)O M100813 [2,0,0,0,0,0|2,0,0]=4 426 B9R1.1 CSC1=CC=C(C=C1)S M101782 [2,0,0,0,0,0|2,0,0]=4 427 B9R1.8 C1=CC=C(C=C1)C=CBr B152003 [2,0,0,0,0,0|1,0,1]=4 428 B9R1.8 C1=CC=C(C=C1)CC=O P105078 [2,0,0,0,0,0|0,0,0]=2 429 B9R1.8 C1=CC=C(C=C1)CC=O P105080 [2,0,0,0,0,0|0,0,0]=2 430 B9R1.8 C1=CC=C(C=C1)CC=O P420978 [2,0,0,0,0,0|0,0,0]=2 431 B9R1.8 C1=CC=C(C=C1)CCBr B106895 [2,0,0,0,0,0|1,0,1]=4 432 B9R1.8 C1=CC=C(C=C1)CCCl C136679 [2,0,0,0,0,0|1,0,1]=4 433 B9R1.8 C1=CC=C(C=C1)CCI I138375 [2,0,0,0,0,0|1,0,1]=4 434 B9R1.8 C1=CC=C(C=C1)CCN P105641 [2,0,0,0,0,0|1,0,1]=4 435 B9R1.8 C1=CC=C(C=C1)CCN P160641 [2,0,0,0,0,0|1,0,1]=4 436 B9R1.8 C1=CC=C(C=C1)CCN P290339 [2,0,0,0,0,0|1,0,1]=4 437 B9R1.8 C1=CC=C(C=C1)CCN P408003 [2,0,0,0,0,0|1,0,1]=4 438 B9R1.8 C1=CC=C(C=C1)CCN P421867 [2,0,0,0,0,0|1,0,1]=4 439 B9R1.8 C1=CC=C(C=C1)CCN P425250 [2,0,0,0,0,0|1,0,1]=4 440 B9R1.8 C1=CC=C(C=C1)CCN P491880 [2,0,0,0,0,0|1,0,1]=4 441 B9R1.8 C1=CC=C(C=C1)CCN P493037 [2,0,0,0,0,0|1,0,1]=4 442 B9R1.8 C1=CC=C(C=C1)CCN P493125 [2,0,0,0,0,0|1,0,1]=4 443 B9R1.8 C1=CC=C(C=C1)CCO P108195 [2,0,0,0,0,0|0,0,2]=4 444 B9R1.8 C1=CC=C(C=C1)CCO P108197 [2,0,0,0,0,0|0,0,2]=4 445 B9R1.8 C1=CC=C(C=C1)CCO P424995 [2,0,0,0,0,0|0,0,2]=4 446 B9R1.8 C1=CC=C(C=C1)CCS P160530 [2,0,0,0,0,0|0,1,1]=4 447 B9R1.8 C1=CC=C(C=C1)CNN B122576 [2,0,0,0,0,0|2,0,0]=4 448 B9R1.8 C1=CC=C(C=C1)CNN B137990 [2,0,0,0,0,0|2,0,0]=4 449 B9R1.8 C1=CC=C(C=C1)CNN B464175 [2,0,0,0,0,0|2,0,0]=4 450 B9R1.8 C1=CC=C(C=C1)CNO I137166 [2,0,0,0,0,0|1,0,1]=4 451 B9R1.8 C1=CC=C(C=C1)CON O159948 [2,0,0,0,0,0|2,0,0]=4 452 B9R1.8 C1=CC=C(C=C1)CON O189173 [2,0,0,0,0,0|2,0,0]=4 453 B9R1.8 C1=CC=C(C=C1)N=C=O P304914 [2,0,0,0,0,0|1,0,1]=4 454 B9R1.8 C1=CC=C(C=C1)N=S=O N159148 [2,0,0,0,0,0|2,0,0]=4 455 B9R1.8 C1=CC=C(C=C1)NC=O F112354 [2,0,0,0,0,0|1,0,0]=3 456 B9R1.8 C1=CC=C(C=C1)OC=O P305264 [2,0,0,0,0,0|1,0,0]=3 457 B9R1.8 C=CCC1=CC=CC=C1 A101037 [2,0,0,0,0,0|1,0,0]=3 458 B9R1.8 C=CSC1=CC=CC=C1 P101810 [2,0,0,0,0,0|2,0,0]=4 459 B9R1.8 C=C[CH-]C1=CC=CC=C1 P129181 [2,0,0,0,0,0|1,0,1]=4 460 B9R1.8 CC=CC1=CC=CC=C1 C153576 [2,0,0,0,0,0|1,0,1]=4 461 B9R1.8 CC=CC1=CC=CC=C1 M136687 [2,0,0,0,0,0|1,0,1]=4 462 B9R1.8 CC=CC1=CC=CC=C1 T134052 [2,0,0,0,0,0|1,0,1]=4 463 B9R1.8 CC=CC1=CC=CC=C1 T301941 [2,0,0,0,0,0|1,0,1]=4 464 B9R1.8 CCCC1=CC=CC=C1 P104621 [2,0,0,0,0,0|1,0,1]=4 465 B9R1.8 CCCC1=CC=CC=C1 P104624 [2,0,0,0,0,0|1,0,1]=4 466 B9R1.8 CCCC1=CC=CC=C1 P104625 [2,0,0,0,0,0|1,0,1]=4 467 B9R1.8 CCCC1=CC=CC=C1 P104626 [2,0,0,0,0,0|1,0,1]=4 468 B9R1.8 CCCC1=CC=CC=C1 P128158 [2,0,0,0,0,0|1,0,1]=4 469 B9R1.8 CNCC1=CC=CC=C1 B106919 [2,0,0,0,0,0|2,0,0]=4 470 B9R1.8 COCC1=CC=CC=C1 B103161 [2,0,0,0,0,0|2,0,0]=4 471 B9R1.8 COCC1=CC=CC=C1 B591251 [2,0,0,0,0,0|2,0,0]=4 472 B9R1.8 CSCC1=CC=CC=C1 B152510 [2,0,0,0,0,0|2,0,0]=4 473 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 B153177 [2,0,0,0,0,0|2,0,0]=4 474 B9R1.6 C1=CC=C(C=C1)C(=O)Br B152056 [2,0,0,0,0,0|1,0,1]=4 475 B9R1.6 C1=CC=C(C=C1)C(=O)Cl B104565 [2,0,0,0,0,0|1,0,1]=4 476 B9R1.6 C1=CC=C(C=C1)C(=O)Cl B104566 [2,0,0,0,0,0|1,0,1]=4 477 B9R1.6 C1=CC=C(C=C1)C(=O)Cl B305868 [2,0,0,0,0,0|1,0,1]=4 478 B9R1.6 C1=CC=C(C=C1)C(=O)F B152051 [2,0,0,0,0,0|1,0,1]=4 479 B9R1.6 C1=CC=C(C=C1)C(=O)N B110551 [2,0,0,0,0,0|1,0,1]=4 480 B9R1.6 C1=CC=C(C=C1)C(=O)N B110552 [2,0,0,0,0,0|1,0,1]=4 481 B9R1.6 C1=CC=C(C=C1)C(=O)N B118608 [2,0,0,0,0,0|1,0,1]=4 482 B9R1.6 C1=CC=C(C=C1)C(=O)O B116254 [2,0,0,0,0,0|1,0,1]=4 483 B9R1.6 C1=CC=C(C=C1)C(=O)O B116255 [2,0,0,0,0,0|1,0,1]=4 484 B9R1.6 C1=CC=C(C=C1)C(=O)O B116256 [2,0,0,0,0,0|1,0,1]=4 485 B9R1.6 C1=CC=C(C=C1)C(=O)O B116259 [2,0,0,0,0,0|1,0,1]=4 486 B9R1.6 C1=CC=C(C=C1)C(=O)O B116260 [2,0,0,0,0,0|1,0,1]=4 487 B9R1.6 C1=CC=C(C=C1)C(=O)O B116262 [2,0,0,0,0,0|1,0,1]=4 488 B9R1.6 C1=CC=C(C=C1)C(=O)O B117657 [2,0,0,0,0,0|1,0,1]=4 489 B9R1.6 C1=CC=C(C=C1)C(=O)O B119541 [2,0,0,0,0,0|1,0,1]=4 490 B9R1.6 C1=CC=C(C=C1)C(=O)O B291747 [2,0,0,0,0,0|1,0,1]=4 491 B9R1.6 C1=CC=C(C=C1)C(=O)O B302170 [2,0,0,0,0,0|1,0,1]=4 492 B9R1.6 C1=CC=C(C=C1)C(=O)O B425323 [2,0,0,0,0,0|1,0,1]=4 493 B9R1.6 C1=CC=C(C=C1)C(=O)O B433248 [2,0,0,0,0,0|1,0,1]=4 494 B9R1.6 C1=CC=C(C=C1)C(=O)S T161810 [2,0,0,0,0,0|1,0,1]=4 495 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] A112559 [2,0,0,0,0,0|1,0,1]=4 496 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] A112561 [2,0,0,0,0,0|1,0,1]=4 497 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] C347199 [2,0,0,0,0,0|1,0,1]=4 498 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] C349185 [2,0,0,0,0,0|1,0,1]=4 499 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] L102020 [2,0,0,0,0,0|1,0,1]=4 500 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] P104052 [2,0,0,0,0,0|1,0,1]=4 501 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S104124 [2,0,0,0,0,0|1,0,1]=4 502 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S104125 [2,0,0,0,0,0|1,0,1]=4 503 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S104127 [2,0,0,0,0,0|1,0,1]=4 504 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S104128 [2,0,0,0,0,0|1,0,1]=4 505 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S124683 [2,0,0,0,0,0|1,0,1]=4 506 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S424558 [2,0,0,0,0,0|1,0,1]=4 507 B9R1.6 C1=CC=C(C=C1)C(Br)Br D300412 [2,0,0,0,0,0|2,0,0]=4 508 B9R1.6 C1=CC=C(C=C1)C(F)F D404169 [2,0,0,0,0,0|2,0,0]=4 509 B9R1.6 C1=CC=C(C=C1)S(=O)O B589671 [2,0,0,0,0,0|2,0,0]=4 510 B9R1.6 C1=CC=C(C=C1)S(=O)[O-] B111697 [2,0,0,0,0,0|2,0,0]=4 511 B9R1.6 C1=CC=C(C=C1)S(=O)[O-] S131677 [2,0,0,0,0,0|2,0,0]=4 512 B9R1.6 C1=CC=C(C=C1)[N+](=O)[O-] N116216 [2,0,0,0,0,0|2,0,0]=4 513 B9R1.6 C1=CC=C(C=C1)[N+](=O)[O-] N116217 [2,0,0,0,0,0|2,0,0]=4 514 B9R1.6 C1=CC=C(C=C1)[N+](=O)[O-] N116219 [2,0,0,0,0,0|2,0,0]=4 515 B9R1.6 C1=CC=C(C=C1)[N+](=O)[O-] N116220 [2,0,0,0,0,0|2,0,0]=4 516 B9R1.6 C1=CC=C(C=C1)[N+](=O)[O-] N116222 [2,0,0,0,0,0|2,0,0]=4 517 B9R1.6 C1=CC=C(C=C1)[N+](=O)[O-] N123719 [2,0,0,0,0,0|2,0,0]=4 518 B9R1.6 C1=CC=C(C=C1)[N+](=O)[O-] N346210 [2,0,0,0,0,0|2,0,0]=4 519 B9R1.6 C1=CC=C(C=C1)[P+](=O)O P160701 [2,0,0,0,0,0|2,0,0]=4 520 B9R1.6 C1=CC=C(C=C1)[Se](=O)O B152925 [2,0,0,0,0,0|2,0,0]=4 521 B9R1.6 C=C(C1=CC=CC=C1)Br A189239 [2,0,0,0,0,0|1,0,1]=4 522 B9R1.6 CC(=C)C1=CC=CC=C1 M104900 [2,0,0,0,0,0|0,0,1]=3 523 B9R1.6 CC(=C)C1=CC=CC=C1 M104901 [2,0,0,0,0,0|0,0,1]=3 524 B9R1.6 CC(=C)C1=CC=CC=C1 P347730 [2,0,0,0,0,0|0,0,1]=3 525 B9R1.6 CC(=C)C1=CC=CC=C1 P491419 [2,0,0,0,0,0|0,0,1]=3 526 B9R1.6 CC(=O)C1=CC=CC=C1 A103666 [2,0,0,0,0,0|0,0,1]=3 527 B9R1.6 CC(=O)C1=CC=CC=C1 A103667 [2,0,0,0,0,0|0,0,1]=3 528 B9R1.6 CC(=O)C1=CC=CC=C1 A103669 [2,0,0,0,0,0|0,0,1]=3 529 B9R1.6 CC(=O)C1=CC=CC=C1 A427211 [2,0,0,0,0,0|0,0,1]=3 530 B9R1.6 CC(=O)C1=CC=CC=C1 A471960 [2,0,0,0,0,0|0,0,1]=3 531 B9R1.6 CC(=O)C1=CC=CC=C1 A474131 [2,0,0,0,0,0|0,0,1]=3 532 B9R1.6 CC(=O)C1=CC=CC=C1 A474138 [2,0,0,0,0,0|0,0,1]=3 533 B9R1.6 CC(=O)C1=CC=CC=N1 A106232 [2,0,0,0,0,0|1,0,1]=4 534 B9R1.6 CC(=O)C1=CC=CC=N1 A106233 [2,0,0,0,0,0|1,0,1]=4 535 B9R1.6 CC(=O)C1=CC=NC=C1 A102942 [2,0,0,0,0,0|1,0,1]=4 536 B9R1.6 CC(=O)C1=CN=CC=C1 A106235 [2,0,0,0,0,0|1,0,1]=4 537 B9R1.6 CC(=O)C1=CN=CC=C1 A106236 [2,0,0,0,0,0|1,0,1]=4 538 B9R1.6 CC(C)C1=CC=CC=C1 I101049 [2,0,0,0,0,0|0,0,1]=3 539 B9R1.6 CC(C)C1=CC=CC=C1 I101050 [2,0,0,0,0,0|0,0,1]=3 540 B9R1.6 CC(C)C1=CC=CC=C1 I101052 [2,0,0,0,0,0|0,0,1]=3 541 B9R1.6 CC(C)C1=CC=CC=N1 I177046 [2,0,0,0,0,0|1,0,1]=4 542 B9R1.6 CC(C)C1=CC=NC=C1 I136834 [2,0,0,0,0,0|1,0,1]=4 543 B9R1.6 CC(C1=CC=CC=C1)Br B104540 [2,0,0,0,0,0|1,0,0]=3 544 B9R1.6 CC(C1=CC=CC=C1)Cl C107586 [2,0,0,0,0,0|1,0,0]=3 545 B9R1.6 CC(C1=CC=CC=C1)N M105678 [2,0,0,0,0,0|1,0,0]=3 546 B9R1.6 CC(C1=CC=CC=C1)N M105679 [2,0,0,0,0,0|1,0,0]=3 547 B9R1.6 CC(C1=CC=CC=C1)N M106714 [2,0,0,0,0,0|1,0,0]=3 548 B9R1.6 CC(C1=CC=CC=C1)N M141280 [2,0,0,0,0,0|1,0,0]=3 549 B9R1.6 CC(C1=CC=CC=C1)N R432669 [2,0,0,0,0,0|1,0,0]=3 550 B9R1.6 CC(C1=CC=CC=C1)N R432670 [2,0,0,0,0,0|1,0,0]=3 551 B9R1.6 CC(C1=CC=CC=C1)N R432682 [2,0,0,0,0,0|1,0,0]=3 552 B9R1.6 CC(C1=CC=CC=C1)N S135224 [2,0,0,0,0,0|1,0,0]=3 553 B9R1.6 CC(C1=CC=CC=C1)N S432505 [2,0,0,0,0,0|1,0,0]=3 554 B9R1.6 CC(C1=CC=CC=C1)O P100878 [2,0,0,0,0,0|0,0,1]=3 555 B9R1.6 CC(C1=CC=CC=C1)O P103660 [2,0,0,0,0,0|0,0,1]=3 556 B9R1.6 CC(C1=CC=CC=C1)O P113820 [2,0,0,0,0,0|0,0,1]=3 557 B9R1.6 CC(C1=CC=CC=C1)O P165285 [2,0,0,0,0,0|0,0,1]=3 558 B9R1.6 CC(C1=CC=CC=N1)N P589080 [2,0,0,0,0,0|2,0,0]=4 559 B9R1.6 CC(C1=CC=CC=N1)O P191765 [2,0,0,0,0,0|1,0,1]=4 560 B9R1.6 CC(C1=CC=CC=N1)O R404547 [2,0,0,0,0,0|1,0,1]=4 561 B9R1.6 CC(C1=CC=CC=N1)O S161029 [2,0,0,0,0,0|1,0,1]=4 562 B9R1.6 CC(C1=CC=NC=C1)N A467309 [2,0,0,0,0,0|2,0,0]=4 563 B9R1.6 CC(C1=CC=NC=C1)O I170921 [2,0,0,0,0,0|1,0,1]=4 564 B9R1.6 CC(C1=CC=NC=C1)O R192493 [2,0,0,0,0,0|1,0,1]=4 565 B9R1.6 CC(C1=CN=CC=C1)N P193948 [2,0,0,0,0,0|2,0,0]=4 566 B9R1.6 CN(C)C1=CC=CC=C1 D100060 [2,0,0,0,0,0|1,0,1]=4 567 B9R1.6 CN(C)C1=CC=CC=C1 D100061 [2,0,0,0,0,0|1,0,1]=4 568 B9R1.6 CN(C)C1=CC=CC=C1 D100063 [2,0,0,0,0,0|1,0,1]=4 569 B9R1.6 CN(C1=CC=CC=C1)N M298692 [2,0,0,0,0,0|2,0,0]=4 570 B9R1.6 CP(C)C1=CC=CC=C1 C118698 [2,0,0,0,0,0|1,0,1]=4 571 B9R1.6 CP(C)C1=CC=CC=C1 D115603 [2,0,0,0,0,0|1,0,1]=4 572 B9R1.6 CS(=O)C1=CC=CC=C1 M158079 [2,0,0,0,0,0|1,0,0]=3 573 B9R1.6 CS(=O)C1=CC=CC=C1 M464276 [2,0,0,0,0,0|1,0,0]=3 574 B9R1.6 C[Si](=O)C1=CC=CC=C1 P331251 [2,0,0,0,0,0|0,1,0]=3 575 B9R1.6 C[Si](C)C1=CC=CC=C1 D111809 [2,0,0,0,0,0|0,1,1]=4 576 B11R1.1 C1=CC(=CC=C1C=CC=O)Br T102188 [1,1,0,0,0,0|1,0,1]=4 577 B11R1.1 C1=CC(=CC=C1C=CC=O)Cl E193580 [1,1,0,0,0,0|1,0,1]=4 578 B11R1.1 C1=CC(=CC=C1C=CC=O)F F156576 [1,1,0,0,0,0|1,0,1]=4 579 B11R1.1 C1=CC(=CC=C1CN=C=O)Br B352069 [1,1,0,0,0,0|1,0,1]=4 580 B11R1.1 CC1=CC=C(C=C1)C=CC=O E589502 [1,1,0,0,0,0|0,0,1]=3 581 B11R1.1 CC1=CC=C(C=C1)OCC#N P169700 [1,1,0,0,0,0|1,0,1]=4 582 B11R1.1 CC1=CC=C(C=C1)OCC=C A151094 [1,1,0,0,0,0|1,0,0]=3 583 B11R1.1 CC1=CC=C(C=C1)OCCO E140276 [1,1,0,0,0,0|0,0,2]=4 584 B11R1.20 C1=CC(=CC=C1CC(=O)Cl)Cl C153891 [1,1,0,0,0,0|1,0,0]=3 585 B11R1.20 C1=CC(=CC=C1CC(=O)Cl)F F469238 [1,1,0,0,0,0|1,0,0]=3 586 B11R1.20 C1=CC(=CC=C1CC(=O)N)O H117443 [1,1,0,0,0,0|1,0,0]=3 587 B11R1.20 C1=CC(=CC=C1CC(=O)O)Br B101317 [1,1,0,0,0,0|1,0,0]=3 588 B11R1.20 C1=CC(=CC=C1CC(=O)O)Cl C103600 [1,1,0,0,0,0|1,0,0]=3 589 B11R1.20 C1=CC(=CC=C1CC(=O)O)F F115807 [1,1,0,0,0,0|1,0,0]=3 590 B11R1.20 C1=CC(=CC=C1CC(=O)O)I I132292 [1,1,0,0,0,0|1,0,0]=3 591 B11R1.20 C1=CC(=CC=C1CC(=O)O)N A110093 [1,1,0,0,0,0|1,0,0]=3 592 B11R1.20 C1=CC(=CC=C1CC(=O)O)O H103972 [1,1,0,0,0,0|1,0,0]=3 593 B11R1.20 C1=CC(=CC=C1CC(=O)O)O H421869 [1,1,0,0,0,0|1,0,0]=3 594 B11R1.20 C1=CC(=CC=C1CC(=O)O)S M471020 [1,1,0,0,0,0|1,0,0]=3 595 B11R1.20 C1=CC(=CC=C1NC(=O)N)Br B152706 [1,1,0,0,0,0|2,0,0]=4 596 B11R1.20 C1=CC(=CC=C1NC(=O)N)Cl C167191 [1,1,0,0,0,0|2,0,0]=4 597 B11R1.20 C1=CC(=CC=C1NC(=O)N)F F156722 [1,1,0,0,0,0|2,0,0]=4 598 B11R1.20 C1=CC(=CC=C1OC(=O)Cl)Cl C139256 [1,1,0,0,0,0|2,0,0]=4 599 B11R1.20 C1=CC(=CC=C1OC(=O)Cl)F F193118 [1,1,0,0,0,0|2,0,0]=4 600 B11R1.20 C1=CC(=NC=C1Br)CC(=O)O B168241 [1,1,0,0,0,0|2,0,0]=4 601 B11R1.20 C1=CC(=NC=C1CC(=O)O)Cl C134957 [1,1,0,0,0,0|2,0,0]=4 602 B11R1.20 CC(=O)CC1=CC=C(C=C1)Br B133524 [1,1,0,0,0,0|1,0,0]=3 603 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl C136193 [1,1,0,0,0,0|1,0,0]=3 604 B11R1.20 CC(=O)CC1=CC=C(C=C1)F F123996 [1,1,0,0,0,0|1,0,0]=3 605 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br B152718 [1,1,0,0,0,0|2,0,0]=4 606 B11R1.20 CC(=O)NC1=CC=C(C=C1)Cl C105638 [1,1,0,0,0,0|2,0,0]=4 607 B11R1.20 CC(=O)NC1=CC=C(C=C1)F F124470 [1,1,0,0,0,0|2,0,0]=4 608 B11R1.20 CC(=O)NC1=CC=C(C=C1)F F579463 [1,1,0,0,0,0|2,0,0]=4 609 B11R1.20 CC(=O)NC1=CC=C(C=C1)I I135865 [1,1,0,0,0,0|2,0,0]=4 610 B11R1.20 CC(=O)NC1=CC=C(C=C1)N A100947 [1,1,0,0,0,0|2,0,0]=4 611 B11R1.20 CC(=O)NC1=CC=C(C=C1)O A105807 [1,1,0,0,0,0|2,0,0]=4 612 B11R1.20 CC(=O)NC1=CC=C(C=C1)O A105808 [1,1,0,0,0,0|2,0,0]=4 613 B11R1.20 CC(=O)NC1=CC=C(C=C1)O A105809 [1,1,0,0,0,0|2,0,0]=4 614 B11R1.20 CC(=O)NC1=CC=C(C=C1)O A135872 [1,1,0,0,0,0|2,0,0]=4 615 B11R1.20 CC(=O)NC1=CC=C(C=C1)O A136987 [1,1,0,0,0,0|2,0,0]=4 616 B11R1.20 CC(=O)NC1=CC=C(C=C1)O A305928 [1,1,0,0,0,0|2,0,0]=4 617 B11R1.20 CC(=O)NC1=CC=C(C=C1)S A100956 [1,1,0,0,0,0|2,0,0]=4 618 B11R1.20 CC(=O)OC1=CC=C(C=C1)F A124503 [1,1,0,0,0,0|2,0,0]=4 619 B11R1.20 CC(=O)OC1=CC=C(C=C1)O A588726 [1,1,0,0,0,0|2,0,0]=4 620 B11R1.20 CC1=CC=C(C=C1)CC(=O)O T100785 [1,1,0,0,0,0|0,0,0]=2 621 B11R1.20 CC1=CC=C(C=C1)NC(=O)C P160549 [1,1,0,0,0,0|1,0,0]=3 622 B11R1.20 CC1=CC=C(C=C1)NC(=S)N P160446 [1,1,0,0,0,0|1,1,0]=4 623 B11R1.20 CC1=CC=C(C=C1)OC(=O)C P160555 [1,1,0,0,0,0|1,0,0]=3 624 B11R1.20 CC1=CC=C(C=C1)OC(=O)Cl P343127 [1,1,0,0,0,0|1,0,0]=3 625 B11R1.20 CC1=NC=C(C=C1)CC(=O)O M573259 [1,1,0,0,0,0|1,0,0]=3 626 B11R1.83 CC=CC1=CC=C(C=C1)OC A111314 [1,1,0,0,0,0|1,0,1]=4 627 B11R1.83 CC=CC1=CC=C(C=C1)OC A119294 [1,1,0,0,0,0|1,0,1]=4 628 B11R1.83 CC=CC1=CC=C(C=C1)OC P136392 [1,1,0,0,0,0|1,0,1]=4 629 B11R1.83 CC=CC1=CC=C(C=C1)OC T423891 [1,1,0,0,0,0|1,0,1]=4 630 B11R1.83 CCC1=CC=C(C=C1)N=C=O E156038 [1,1,0,0,0,0|1,0,1]=4 631 B11R1.83 CCCC1=CC=C(C=C1)OC M586236 [1,1,0,0,0,0|1,0,1]=4 632 B11R1.83 CNCC1=CC=C(C=C1)OC M121878 [1,1,0,0,0,0|2,0,0]=4 633 B11R1.83 CNCC1=CC=C(C=C1)OC M187530 [1,1,0,0,0,0|2,0,0]=4 634 B11R1.83 COC1=CC=C(C=C1)CC#N M124732 [1,1,0,0,0,0|1,0,1]=4 635 B11R1.83 COC1=CC=C(C=C1)CC=C A151340 [1,1,0,0,0,0|1,0,0]=3 636 B11R1.83 COC1=CC=C(C=C1)CC=C A421524 [1,1,0,0,0,0|1,0,0]=3 637 B11R1.83 COC1=CC=C(C=C1)CC=O M193998 [1,1,0,0,0,0|0,0,0]=2 638 B11R1.83 COC1=CC=C(C=C1)CCBr M353698 [1,1,0,0,0,0|1,0,1]=4 639 B11R1.83 COC1=CC=C(C=C1)CCN M106422 [1,1,0,0,0,0|1,0,1]=4 640 B11R1.83 COC1=CC=C(C=C1)CCO M124605 [1,1,0,0,0,0|0,0,2]=4 641 B11R1.83 COC1=CC=C(C=C1)CCO M493169 [1,1,0,0,0,0|0,0,2]=4 642 B11R1.83 COC1=CC=C(C=C1)CNN M175563 [1,1,0,0,0,0|2,0,0]=4 643 B11R1.83 COC1=CC=C(C=C1)CON A479616 [1,1,0,0,0,0|2,0,0]=4 644 B11R1.83 COC1=CC=C(C=C1)N=C=O M157830 [1,1,0,0,0,0|1,0,1]=4 645 B11R1.83 COC1=CC=C(C=C1)NC=O M158339 [1,1,0,0,0,0|1,0,0]=3 646 B11R1.83 COCC1=CC=C(C=C1)OC M158116 [1,1,0,0,0,0|2,0,0]=4 647 B11R1.83 CSC1=CC=C(C=C1)N=C=O M167730 [1,1,0,0,0,0|1,0,1]=4 648 B11R1.192 C=CCC1=CC(=C(C=C1)O)O A151341 [1,1,0,0,0,0|2,0,0]=4 649 B11R1.192 CC1=C(C=C(C=C1)N=C=O)Cl C153278 [1,1,0,0,0,0|1,0,1]=4 650 B11R1.3 C1=CC(=CC=C1CBr)C(=O)O B152291 [1,1,0,0,0,0|1,0,1]=4 651 B11R1.3 C1=CC(=CC=C1CBr)C(=O)O B471433 [1,1,0,0,0,0|1,0,1]=4 652 B11R1.3 C1=CC(=CC=C1CBr)[N+](=O)[O-] N100516 [1,1,0,0,0,0|2,0,0]=4 653 B11R1.3 C1=CC(=CC=C1CCl)C(=O)Cl C103225 [1,1,0,0,0,0|1,0,1]=4 654 B11R1.3 C1=CC(=CC=C1CCl)C(=O)N C186877 [1,1,0,0,0,0|1,0,1]=4 655 B11R1.3 C1=CC(=CC=C1CCl)C(=O)O C137487 [1,1,0,0,0,0|1,0,1]=4 656 B11R1.3 C1=CC(=CC=C1CCl)[N+](=O)[O-] N100514 [1,1,0,0,0,0|2,0,0]=4 657 B11R1.3 C1=CC(=CC=C1CCl)[N+](=O)[O-] N100515 [1,1,0,0,0,0|2,0,0]=4 658 B11R1.3 C1=CC(=CC=C1CN)C(=O)O A111957 [1,1,0,0,0,0|1,0,1]=4 659 B11R1.3 C1=CC(=CC=C1CN)[N+](=O)[O-] N159454 [1,1,0,0,0,0|2,0,0]=4 660 B11R1.3 C1=CC(=CC=C1CO)C(=O)O H117675 [1,1,0,0,0,0|1,0,1]=4 661 B11R1.3 C1=CC(=CC=C1CO)[N+](=O)[O-] N110318 [1,1,0,0,0,0|2,0,0]=4 662 B11R1.3 C1=CC(=CC=C1CS)[N+](=O)[O-] N467223 [1,1,0,0,0,0|2,0,0]=4 663 B11R1.3 CC(=C)C1=CC=C(C=C1)OC M587638 [1,1,0,0,0,0|0,0,1]=3 664 B11R1.3 CC(=O)C1=CC=C(C=C1)C#N C153682 [1,1,0,0,0,0|0,0,2]=4 665 B11R1.3 CC(=O)C1=CC=C(C=C1)C=O A169740 [1,1,0,0,0,0|0,0,2]=4 666 B11R1.3 CC(=O)C1=CC=C(C=C1)NC A196189 [1,1,0,0,0,0|0,0,1]=3 667 B11R1.3 CC(=O)C1=CC=C(C=C1)OC M103875 [1,1,0,0,0,0|0,0,1]=3 668 B11R1.3 CC(=O)C1=CC=C(C=C1)SC M101852 [1,1,0,0,0,0|0,0,1]=3 669 B11R1.3 CC(=O)C1=CN=C(C=C1)OC A115779 [1,1,0,0,0,0|1,0,1]=4 670 B11R1.3 CC(C)C1=CC=C(C=C1)C#C E588290 [1,1,0,0,0,0|0,0,2]=4 671 B11R1.3 CC(C)C1=CC=C(C=C1)C=O C117706 [1,1,0,0,0,0|0,0,2]=4 672 B11R1.3 CC(C)C1=CC=C(C=C1)CBr I194820 [1,1,0,0,0,0|0,0,1]=3 673 B11R1.3 CC(C)C1=CC=C(C=C1)CCl C191960 [1,1,0,0,0,0|0,0,1]=3 674 B11R1.3 CC(C)C1=CC=C(C=C1)CN I184550 [1,1,0,0,0,0|0,0,1]=3 675 B11R1.3 CC(C)C1=CC=C(C=C1)CO I107533 [1,1,0,0,0,0|0,0,1]=3 676 B11R1.3 CC(C)C1=CC=C(C=C1)NN L102556 [1,1,0,0,0,0|1,0,1]=4 677 B11R1.3 CC(C)C1=CC=C(C=C1)OC I157470 [1,1,0,0,0,0|0,0,1]=3 678 B11R1.3 CC(C1=CC=C(C=C1)OC)N M100571 [1,1,0,0,0,0|1,0,0]=3 679 B11R1.3 CC(C1=CC=C(C=C1)OC)N M106421 [1,1,0,0,0,0|1,0,0]=3 680 B11R1.3 CC(C1=CC=C(C=C1)OC)N M185667 [1,1,0,0,0,0|1,0,0]=3 681 B11R1.3 CC(C1=CC=C(C=C1)OC)O M169629 [1,1,0,0,0,0|0,0,1]=3 682 B11R1.3 CCC1=CC=C(C=C1)C(=O)C E156360 [1,1,0,0,0,0|0,0,1]=3 683 B11R1.3 CCC1=CC=C(C=C1)C(=O)Cl E103224 [1,1,0,0,0,0|1,0,1]=4 684 B11R1.3 CCC1=CC=C(C=C1)C(=O)O E156333 [1,1,0,0,0,0|1,0,1]=4 685 B11R1.3 CCC1=CC=C(C=C1)C(C)C E404444 [1,1,0,0,0,0|0,0,1]=3 686 B11R1.3 CCC1=CC=C(C=C1)[N+](=O)[O-] E137916 [1,1,0,0,0,0|2,0,0]=4 687 B11R1.3 CN(C)C1=CC=C(C=C1)CN D136160 [1,1,0,0,0,0|1,0,1]=4 688 B11R1.3 CN(C)C1=CC=C(C=C1)CN D182429 [1,1,0,0,0,0|1,0,1]=4 689 B11R1.3 CN(C)C1=CC=C(C=C1)CO D155714 [1,1,0,0,0,0|1,0,1]=4 690 B11R1.3 CN(C)C1=CC=C(C=C1)CO D489122 [1,1,0,0,0,0|1,0,1]=4 691 B11R1.3 CN(C)C1=CC=C(C=C1)OC M194673 [1,1,0,0,0,0|1,0,1]=4 692 B11R1.3 CNC1=CC=C(C=C1)C(=O)O M158381 [1,1,0,0,0,0|1,0,1]=4 693 B11R1.3 CNC1=CC=C(C=C1)[N+](=O)[O-] M140177 [1,1,0,0,0,0|2,0,0]=4 694 B11R1.3 COC1=CC=C(C=C1)C(=O)Cl M100611 [1,1,0,0,0,0|1,0,1]=4 695 B11R1.3 COC1=CC=C(C=C1)C(=O)N M158329 [1,1,0,0,0,0|1,0,1]=4 696 B11R1.3 COC1=CC=C(C=C1)C(=O)O M104368 [1,1,0,0,0,0|1,0,1]=4 697 B11R1.3 COC1=CC=C(C=C1)C(=O)O M119543 [1,1,0,0,0,0|1,0,1]=4 698 B11R1.3 COC1=CC=C(C=C1)[N+](=O)[O-] N105584 [1,1,0,0,0,0|2,0,0]=4 699 B11R1.3 CSC1=CC=C(C=C1)C(=O)O M158295 [1,1,0,0,0,0|1,0,1]=4 700 B11R1.3 CSC1=CC=C(C=C1)[N+](=O)[O-] N101833 [1,1,0,0,0,0|2,0,0]=4 701 B11R1.19 CC(C)(C)C1=CC=C(C=C1)Br B110129 [1,1,0,0,0,0|1,0,1]=4 702 B11R1.19 CC(C)(C)C1=CC=C(C=C1)Cl T136308 [1,1,0,0,0,0|1,0,1]=4 703 B11R1.19 CC(C)(C)C1=CC=C(C=C1)I B100840 [1,1,0,0,0,0|1,0,1]=4 704 B11R1.19 CC(C)(C)C1=CC=C(C=C1)N T139258 [1,1,0,0,0,0|1,0,1]=4 705 B11R1.19 CC(C)(C)C1=CC=C(C=C1)O B110664 [1,1,0,0,0,0|1,0,1]=4 706 B11R1.19 CC(C)(C)C1=CC=C(C=C1)O B110665 [1,1,0,0,0,0|1,0,1]=4 707 B11R1.19 CC(C)(C)C1=CC=C(C=C1)O B110666 [1,1,0,0,0,0|1,0,1]=4 708 B11R1.19 CC(C)(C)C1=CC=C(C=C1)S T294572 [1,1,0,0,0,0|1,0,1]=4 709 B11R1.19 CC(C)(C1=CC=C(C=C1)Br)O B182676 [1,1,0,0,0,0|1,0,1]=4 710 B11R1.19 CC(C)(C1=CC=C(C=C1)Cl)O C302695 [1,1,0,0,0,0|1,0,1]=4 711 B11R1.19 CC(C)(C1=CC=C(C=C1)F)O F156597 [1,1,0,0,0,0|1,0,1]=4 712 B11R1.19 CC(C1=CC=C(C=C1)Br)(F)F B165334 [1,1,0,0,0,0|2,0,0]=4 713 B11R1.19 CC1=CC=C(C=C1)C(C)(C)C T115327 [1,1,0,0,0,0|0,0,1]=3 714 B11R1.19 CC1=CC=C(C=C1)C(F)(F)F M120691 [1,1,0,0,0,0|2,0,0]=4 715 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)C M158446 [1,1,0,0,0,0|1,0,0]=3 716 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)Cl T104622 [1,1,0,0,0,0|2,0,0]=4 717 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)Cl T104623 [1,1,0,0,0,0|2,0,0]=4 718 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)F I170441 [1,1,0,0,0,0|2,0,0]=4 719 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)N T102875 [1,1,0,0,0,0|2,0,0]=4 720 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)N T102876 [1,1,0,0,0,0|2,0,0]=4 721 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O A151526 [1,1,0,0,0,0|2,0,0]=4 722 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O A151543 [1,1,0,0,0,0|2,0,0]=4 723 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O D339208 [1,1,0,0,0,0|2,0,0]=4 724 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O E588937 [1,1,0,0,0,0|2,0,0]=4 725 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O I132595 [1,1,0,0,0,0|2,0,0]=4 726 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O N195847 [1,1,0,0,0,0|2,0,0]=4 727 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O O494280 [1,1,0,0,0,0|2,0,0]=4 728 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O P425127 [1,1,0,0,0,0|2,0,0]=4 729 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O R174184 [1,1,0,0,0,0|2,0,0]=4 730 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O R465731 [1,1,0,0,0,0|2,0,0]=4 731 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O T104290 [1,1,0,0,0,0|2,0,0]=4 732 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O T104293 [1,1,0,0,0,0|2,0,0]=4 733 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O T118454 [1,1,0,0,0,0|2,0,0]=4 734 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O T305333 [1,1,0,0,0,0|2,0,0]=4 735 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] B138815 [1,1,0,0,0,0|2,0,0]=4 736 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] B282881 [1,1,0,0,0,0|2,0,0]=4 737 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] C134736 [1,1,0,0,0,0|2,0,0]=4 738 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] C331896 [1,1,0,0,0,0|2,0,0]=4 739 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] E156363 [1,1,0,0,0,0|2,0,0]=4 740 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] E281501 [1,1,0,0,0,0|2,0,0]=4 741 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] F139031 [1,1,0,0,0,0|2,0,0]=4 742 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] I189206 [1,1,0,0,0,0|2,0,0]=4 743 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] N159675 [1,1,0,0,0,0|2,0,0]=4 744 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S122529 [1,1,0,0,0,0|2,0,0]=4 745 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] T108370 [1,1,0,0,0,0|2,0,0]=4 746 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] T135895 [1,1,0,0,0,0|2,0,0]=4 747 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] T162211 [1,1,0,0,0,0|2,0,0]=4 748 B11R1.19 CC1=CC=C(C=C1)S(=O)(=S)[O-] P160245 [1,1,0,0,0,0|2,0,0]=4 749 B11R1.19 CS(=N)(=O)C1=CC=C(C=C1)Cl S588201 [1,1,0,0,0,0|2,0,0]=4 750 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)Br B121828 [1,1,0,0,0,0|2,0,0]=4 751 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)Cl C153618 [1,1,0,0,0,0|2,0,0]=4 752 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)F F156692 [1,1,0,0,0,0|2,0,0]=4 753 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)N M158436 [1,1,0,0,0,0|2,0,0]=4 754 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)O H157189 [1,1,0,0,0,0|2,0,0]=4 755 B11R1.21 CC(=O)C1=CC(=C(C=C1)Br)F F183554 [1,1,0,0,0,0|1,0,1]=4 756 B11R1.21 CC(=O)C1=CC(=C(C=C1)Br)N A469136 [1,1,0,0,0,0|1,0,1]=4 757 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)Cl D106502 [1,1,0,0,0,0|1,0,1]=4 758 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)F C122007 [1,1,0,0,0,0|1,0,1]=4 759 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)N A405620 [1,1,0,0,0,0|1,0,1]=4 760 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)Br B122006 [1,1,0,0,0,0|1,0,1]=4 761 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)Cl C121995 [1,1,0,0,0,0|1,0,1]=4 762 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)F D137207 [1,1,0,0,0,0|1,0,1]=4 763 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)N A132063 [1,1,0,0,0,0|1,0,1]=4 764 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)Br B151944 [1,1,0,0,0,0|1,0,1]=4 765 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)Cl C134912 [1,1,0,0,0,0|1,0,1]=4 766 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)F F156639 [1,1,0,0,0,0|1,0,1]=4 767 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)N A405624 [1,1,0,0,0,0|1,0,1]=4 768 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)O D138090 [1,1,0,0,0,0|1,0,1]=4 769 B11R1.21 CC(C)C1=CC(=C(C=C1)N)Br B151827 [1,1,0,0,0,0|1,0,1]=4 770 B11R1.21 CC(C1=CC(=C(C=C1)F)F)O D183665 [1,1,0,0,0,0|1,0,1]=4 771 B11R1.21 CC1=C(C=C(C=C1)C(=O)C)Br B151853 [1,1,0,0,0,0|0,0,1]=3 772 B11R1.21 CC1=C(C=C(C=C1)C(=O)C)C D106331 [1,1,0,0,0,0|0,0,1]=3 773 B11R1.21 CC1=C(C=C(C=C1)C(=O)C)F F353287 [1,1,0,0,0,0|0,0,1]=3 774 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)N A151422 [1,1,0,0,0,0|1,0,1]=4 775 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)Br B136776 [1,1,0,0,0,0|1,0,1]=4 776 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)C D134702 [1,1,0,0,0,0|1,0,1]=4 777 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)Cl C153816 [1,1,0,0,0,0|1,0,1]=4 778 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)F F120584 [1,1,0,0,0,0|1,0,1]=4 779 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)I I157659 [1,1,0,0,0,0|1,0,1]=4 780 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)N A107448 [1,1,0,0,0,0|1,0,1]=4 781 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)O H123413 [1,1,0,0,0,0|1,0,1]=4 782 B11R1.21 CC1=C(C=C(C=C1)C(C)C)N M158615 [1,1,0,0,0,0|0,0,1]=3 783 B11R1.21 CC1=C(C=C(C=C1)C(C)C)O C107162 [1,1,0,0,0,0|0,0,1]=3 784 B11R1.21 CC1=C(C=C(C=C1)C(C)C)O C424298 [1,1,0,0,0,0|0,0,1]=3 785 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])Br B137032 [1,1,0,0,0,0|2,0,0]=4 786 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])C N105960 [1,1,0,0,0,0|2,0,0]=4 787 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])Cl C153291 [1,1,0,0,0,0|2,0,0]=4 788 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])F F120684 [1,1,0,0,0,0|2,0,0]=4 789 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])I I123602 [1,1,0,0,0,0|2,0,0]=4 790 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])N A104369 [1,1,0,0,0,0|2,0,0]=4 791 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])N A104370 [1,1,0,0,0,0|2,0,0]=4 792 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])N A141218 [1,1,0,0,0,0|2,0,0]=4 793 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])O M110310 [1,1,0,0,0,0|2,0,0]=4 794 B11R1.21 CC1=C(C=CC(=C1)C(=O)C)Cl C100653 [1,1,0,0,0,0|1,0,1]=4 795 B11R1.21 CC1=C(C=CC(=C1)C(=O)C)Cl C470980 [1,1,0,0,0,0|1,0,1]=4 796 B11R1.21 CC1=C(C=CC(=C1)C(=O)C)F F136285 [1,1,0,0,0,0|1,0,1]=4 797 B11R1.21 CC1=C(C=CC(=C1)C(=O)C)O H101899 [1,1,0,0,0,0|1,0,1]=4 798 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)Br D136552 [1,1,0,0,0,0|1,0,1]=4 799 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)Cl B192317 [1,1,0,0,0,0|1,0,1]=4 800 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)F B171235 [1,1,0,0,0,0|1,0,1]=4 801 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)N A190249 [1,1,0,0,0,0|1,0,1]=4 802 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)O B135067 [1,1,0,0,0,0|1,0,1]=4 803 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)Br B186775 [1,1,0,0,0,0|1,0,1]=4 804 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)Cl D132842 [1,1,0,0,0,0|1,0,1]=4 805 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)F C182148 [1,1,0,0,0,0|1,0,1]=4 806 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)O C153948 [1,1,0,0,0,0|1,0,1]=4 807 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)Br B123248 [1,1,0,0,0,0|1,0,1]=4 808 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)Cl C133992 [1,1,0,0,0,0|1,0,1]=4 809 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)F D123991 [1,1,0,0,0,0|1,0,1]=4 810 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)O F123259 [1,1,0,0,0,0|1,0,1]=4 811 B11R1.166 CC(=O)C1=C(C=C(C=C1)N)Cl A590000 [1,1,0,0,0,0|1,0,1]=4 812 B11R1.166 CC(=O)C1=C(C=C(C=C1)N)O A183120 [1,1,0,0,0,0|1,0,1]=4 813 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)Br B194221 [1,1,0,0,0,0|1,0,1]=4 814 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)F F124233 [1,1,0,0,0,0|1,0,1]=4 815 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)O D103149 [1,1,0,0,0,0|1,0,1]=4 816 B11R1.166 CC(C)C1=C(C=C(C=C1)O)O I588310 [1,1,0,0,0,0|1,0,1]=4 817 B11R1.166 CC(C1=C(C=C(C=C1)Cl)Cl)N D154339 [1,1,0,0,0,0|2,0,0]=4 818 B11R1.166 CC(C1=C(C=C(C=C1)Cl)Cl)N R587009 [1,1,0,0,0,0|2,0,0]=4 819 B11R1.166 CC(C1=C(C=C(C=C1)Cl)Cl)O D155730 [1,1,0,0,0,0|1,0,1]=4 820 B11R1.166 CC1=C(C=CC(=C1)Cl)C(=O)C C588908 [1,1,0,0,0,0|1,0,1]=4 821 B11R1.166 CC1=C(C=CC(=C1)F)C(=O)C F336011 [1,1,0,0,0,0|1,0,1]=4 822 B11R1.166 CC1=C(C=CC(=C1)O)C(=O)C H124612 [1,1,0,0,0,0|1,0,1]=4 823 B11R1.166 CC1=C(C=CC(=C1)O)C(C)C I157507 [1,1,0,0,0,0|1,0,1]=4 824 B11R1.166 CC1=CC(=C(C=C1)C(=O)C)C D108574 [1,1,0,0,0,0|0,0,1]=3 825 B11R1.166 CC1=CC(=C(C=C1)C(=O)C)O H156900 [1,1,0,0,0,0|0,0,1]=3 826 B11R1.166 CC1=CC(=C(C=C1)C(=O)Cl)C D301998 [1,1,0,0,0,0|1,0,1]=4 827 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)Br B123862 [1,1,0,0,0,0|1,0,1]=4 828 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)C D101977 [1,1,0,0,0,0|1,0,1]=4 829 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)Cl C186521 [1,1,0,0,0,0|1,0,1]=4 830 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F F120565 [1,1,0,0,0,0|1,0,1]=4 831 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)N A151592 [1,1,0,0,0,0|1,0,1]=4 832 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O M111847 [1,1,0,0,0,0|1,0,1]=4 833 B11R1.166 CC1=CC(=C(C=C1)C(C)C)O T104425 [1,1,0,0,0,0|0,0,1]=3 834 B11R1.166 CC1=CC(=C(C=C1)C(C)C)O T104426 [1,1,0,0,0,0|0,0,1]=3 835 B11R1.166 CC1=CC(=C(C=C1)C(C)C)O T118449 [1,1,0,0,0,0|0,0,1]=3 836 B11R1.166 CC1=CC(=C(C=C1)C(C)C)O T426745 [1,1,0,0,0,0|0,0,1]=3 837 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])Br B589021 [1,1,0,0,0,0|2,0,0]=4 838 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])C D111670 [1,1,0,0,0,0|2,0,0]=4 839 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])Cl C123610 [1,1,0,0,0,0|2,0,0]=4 840 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])F F120690 [1,1,0,0,0,0|2,0,0]=4 841 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])F H102030 [1,1,0,0,0,0|2,0,0]=4 842 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])N M467901 [1,1,0,0,0,0|2,0,0]=4 843 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])N W136670 [1,1,0,0,0,0|2,0,0]=4 844 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])O N159530 [1,1,0,0,0,0|2,0,0]=4 845 B11R1.7 CC(C#C)(C1=CC=CC=C1)O P111201 [1,1,0,0,0,0|1,0,1]=4 846 B11R1.7 CC(C)(C#N)C1=CC=CC=C1 M404765 [1,1,0,0,0,0|1,0,1]=4 847 B11R1.7 CC(C)(C1=CC=CC=C1)OO C109598 [1,1,0,0,0,0|1,0,1]=4 848 B11R1.7 CC(C)(CCl)C1=CC=CC=C1 C107610 [1,1,0,0,0,0|1,0,1]=4 849 B11R1.7 CC(C)(CO)C1=CC=CC=C1 M294317 [1,1,0,0,0,0|0,0,2]=4 850 B11R1.7 CCC(C)(C)C1=CC=CC=C1 A102508 [1,1,0,0,0,0|1,0,1]=4 851 B11R1.7 CCC(C)(C1=CC=CC=C1)O P474236 [1,1,0,0,0,0|1,0,1]=4 852 B11R1.7 C[Si](C)(C=C)C1=CC=CC=C1 D189731 [1,1,0,0,0,0|1,1,0]=4 853 B11R1.7 C[Si](C=C)(C1=CC=CC=C1)Cl C191531 [1,1,0,0,0,0|1,1,0]=4 854 B11R1.12 C1=CC=C(C=C1)C(CO)CO P160752 [1,1,0,0,0,0|0,0,2]=4 855 B11R1.12 CCC(C#N)C1=CC=CC=C1 P139257 [1,1,0,0,0,0|1,0,1]=4 856 B11R1.12 COC(C1=CC=CC=C1)OC B107016 [1,1,0,0,0,0|2,0,0]=4 857 B11R1.12 COC(CO)C1=CC=CC=C1 M351712 [1,1,0,0,0,0|0,0,2]=4 858 B11R1.16 C=CCC(C1=CC=CC=C1)O P160315 [1,1,0,0,0,0|2,0,0]=4 859 B11R1.16 CC(C1=CC=CC=C1)N=C=O I132137 [1,1,0,0,0,0|0,0,1]=3 860 B11R1.16 CC(C1=CC=CC=C1)N=C=O R160892 [1,1,0,0,0,0|0,0,1]=3 861 B11R1.16 CC(C1=CC=CC=C1)N=C=S R300627 [1,1,0,0,0,0|0,1,1]=4 862 B11R1.16 CC(CC=O)C1=CC=CC=C1 P468811 [1,1,0,0,0,0|0,0,0]=2 863 B11R1.16 CC(CCO)C1=CC=CC=C1 P169190 [1,1,0,0,0,0|0,0,2]=4 864 B11R1.16 CC(CCO)C1=CC=CC=C1 P638679 [1,1,0,0,0,0|0,0,2]=4 865 B11R1.16 CC(CNC)C1=CC=CC=C1 P342591 [1,1,0,0,0,0|1,0,1]=4 866 B11R1.36 C1=CC=C(C=C1)C(=O)C(=O)O P100867 [1,1,0,0,0,0|1,0,1]=4 867 B11R1.36 C1=CC=C(C=C1)C(=O)C(=O)O P425066 [1,1,0,0,0,0|1,0,1]=4 868 B11R1.36 C1=CC=C(C=C1)C(C(=O)Cl)Cl D133626 [1,1,0,0,0,0|1,0,0]=3 869 B11R1.36 C1=CC=C(C=C1)C(C(=O)N)N D189180 [1,1,0,0,0,0|1,0,0]=3 870 B11R1.36 C1=CC=C(C=C1)C(C(=O)N)N S185796 [1,1,0,0,0,0|1,0,0]=3 871 B11R1.36 C1=CC=C(C=C1)C(C(=O)N)O M342074 [1,1,0,0,0,0|1,0,0]=3 872 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)Br B107957 [1,1,0,0,0,0|1,0,0]=3 873 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)Cl C170509 [1,1,0,0,0,0|1,0,0]=3 874 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)F A131766 [1,1,0,0,0,0|1,0,0]=3 875 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)N P101745 [1,1,0,0,0,0|1,0,0]=3 876 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)N P109235 [1,1,0,0,0,0|1,0,0]=3 877 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)N P109236 [1,1,0,0,0,0|1,0,0]=3 878 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O D304135 [1,1,0,0,0,0|1,0,0]=3 879 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O M104996 [1,1,0,0,0,0|1,0,0]=3 880 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O M104997 [1,1,0,0,0,0|1,0,0]=3 881 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O M107076 [1,1,0,0,0,0|1,0,0]=3 882 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O M111210 [1,1,0,0,0,0|1,0,0]=3 883 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O R425065 [1,1,0,0,0,0|1,0,0]=3 884 B11R1.36 C1=CC=C(C=C1)C(C(=O)[O-])O S161413 [1,1,0,0,0,0|1,0,0]=3 885 B11R1.36 C=C(C1=CC=CC=C1)C(=O)O P121707 [1,1,0,0,0,0|0,0,2]=4 886 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 P194033 [1,1,0,0,0,0|1,0,1]=4 887 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 N159396 [1,1,0,0,0,0|1,0,0]=3 888 B11R1.36 CC(=O)N(C1=CC=CC=C1)Cl N159271 [1,1,0,0,0,0|2,0,0]=4 889 B11R1.36 CC(C1=CC=CC=C1)C(=O)O B102422 [1,1,0,0,0,0|0,0,0]=2 890 B11R1.36 CC(C1=CC=CC=C1)C(=O)O P102421 [1,1,0,0,0,0|0,0,0]=2 891 B11R1.36 CC(C1=CC=CC=C1)C(=O)O P128106 [1,1,0,0,0,0|0,0,0]=2 892 B11R1.36 CC(C1=CC=CC=C1)C(=O)O P424260 [1,1,0,0,0,0|0,0,0]=2 893 B11R1.36 CC(C1=CC=CC=C1)N(C)C R160852 [1,1,0,0,0,0|2,0,0]=4 894 B11R1.36 CC(C1=CC=CC=C1)N(C)C S161322 [1,1,0,0,0,0|2,0,0]=4 895 B11R1.36 CN(C1=CC=CC=C1)C(=O)Cl N342076 [1,1,0,0,0,0|1,0,0]=3 896 B11R1.222 CC1=CC=CC=C1N(C)C=O N159307 [1,1,0,0,0,0|1,0,0]=3 897 B11R1.222 CCC(C)C1=CC=CC=C1O S161080 [1,1,0,0,0,0|1,0,1]=4 898 B13R1.133 C1=CC(=CC=C1CC(C(=O)N)N)O L137615 [0,1,0,0,0,1|2,0,0]=4 899 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Br B117017 [0,1,0,0,0,1|2,0,0]=4 900 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Br P101626 [0,1,0,0,0,1|2,0,0]=4 901 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl C100471 [0,1,0,0,0,1|2,0,0]=4 902 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl C131971 [0,1,0,0,0,1|2,0,0]=4 903 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl C136727 [0,1,0,0,0,1|2,0,0]=4 904 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl C153283 [0,1,0,0,0,1|2,0,0]=4 905 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl C153284 [0,1,0,0,0,1|2,0,0]=4 906 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F F117075 [0,1,0,0,0,1|2,0,0]=4 907 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F F117076 [0,1,0,0,0,1|2,0,0]=4 908 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F F156775 [0,1,0,0,0,1|2,0,0]=4 909 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F I137496 [0,1,0,0,0,1|2,0,0]=4 910 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F I137619 [0,1,0,0,0,1|2,0,0]=4 911 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)I I109232 [0,1,0,0,0,1|2,0,0]=4 912 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)I I136438 [0,1,0,0,0,1|2,0,0]=4 913 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)N A105992 [0,1,0,0,0,1|2,0,0]=4 914 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)N A151041 [0,1,0,0,0,1|2,0,0]=4 915 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)N A185605 [0,1,0,0,0,1|2,0,0]=4 916 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O G419969 [0,1,0,0,0,1|2,0,0]=4 917 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O S433057 [0,1,0,0,0,1|2,0,0]=4 918 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O T101403 [0,1,0,0,0,1|2,0,0]=4 919 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O T103976 [0,1,0,0,0,1|2,0,0]=4 920 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O T108322 [0,1,0,0,0,1|2,0,0]=4 921 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O T115962 [0,1,0,0,0,1|2,0,0]=4 922 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)O)O S160986 [0,1,0,0,0,1|2,0,0]=4 923 B13R1.133 C1=CC(=CC=C1CC(C(=O)[O-])N)[O-] L194654 [0,1,0,0,0,1|2,0,0]=4 924 B13R1.133 C1=CC(=CC=C1CC(C(=O)[O-])N)[O-] L302659 [0,1,0,0,0,1|2,0,0]=4 925 B13R1.133 CC(C(=O)O)OC1=CC=C(C=C1)O H102466 [0,1,0,0,0,1|1,0,0]=3 926 B13R1.36 CC(C1=CC=C(C=C1)CBr)C(=O)O B120755 [0,2,0,0,0,0|0,0,0]=2 927 B13R1.36 CCC1=CC=C(C=C1)C(C)C(=O)O P350091 [0,2,0,0,0,0|0,0,0]=2 928 B13R1.36 COC1=CC=C(C=C1)C(C(=O)O)O D191983 [0,2,0,0,0,0|1,0,0]=3 929 B13R1.36 COC1=CC=C(C=C1)C(C(=O)O)O M137967 [0,2,0,0,0,0|1,0,0]=3 930 B13R1.36 COC1=CC=C(C=C1)C(C(=O)O)O S194902 [0,2,0,0,0,0|1,0,0]=3 931 B13R1.39 COC1=CC=C(C=C1)C(OC)OC A111315 [0,2,0,0,0,0|2,0,0]=4 932 B13R1.522 CC(C)(C1=CC=C(C=C1)Br)C(=O)O B183691 [0,2,0,0,0,0|1,0,0]=3 933 B13R1.522 CC(C)(C1=CC=C(C=C1)Cl)C(=O)O C420046 [0,2,0,0,0,0|1,0,0]=3 934 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)Br A193198 [0,2,0,0,0,0|2,0,0]=4 935 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)Br S588525 [0,2,0,0,0,0|2,0,0]=4 936 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)Cl A151555 [0,2,0,0,0,0|2,0,0]=4 937 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)F A138673 [0,2,0,0,0,0|2,0,0]=4 938 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)O D304114 [0,2,0,0,0,0|2,0,0]=4 939 B13R1.132 CC1=CC=C(C=C1)C(CC(=O)O)N A151280 [0,2,0,0,0,0|1,0,0]=3 940 B13R1.510 C1=CC(=C(C=C1C(C(=O)O)O)O)O S161146 [0,2,0,0,0,0|2,0,0]=4 941 B11R2.36 CC1=CC2=C(C=C1)C=CN2 M107953 [1,0,0,1,0,0|1,0,1]=4 942 B11R2.36 CC1=CC2=C(C=C1)N=CN2 M158013 [1,0,0,1,0,0|2,0,0]=4 943 B11R2.36 CC1=CC2=C(C=C1)N=CS2 M588612 [1,0,0,1,0,0|1,1,0]=4 944 B11R2.36 CC1=CC2=C(C=C1)NC=C2 M113638 [1,0,0,1,0,0|2,0,0]=4 945 B11R2.36 CC1=CC2=C(C=C1)OC=N2 M158471 [1,0,0,1,0,0|2,0,0]=4 946 B11R2.36 CC1=CC2=C(C=C1)SC=C2 M158051 [1,0,0,1,0,0|2,0,0]=4 947 B11R2.1 CC1=CNC2=CC=CC=C12 M426157 [1,0,0,1,0,0|1,0,1]=4 948 B11R2.1 CC1=CNC2=CC=CC=C12 S104736 [1,0,0,1,0,0|1,0,1]=4 949 B11R2.1 CC1=CSC2=CC=CC=C12 M101861 [1,0,0,1,0,0|0,1,1]=4 950 B11R2.1 CC1CCC2=CC=CC=C12 M304586 [1,0,0,1,0,0|1,0,1]=4 951 B11R2.1 CC1CNC2=CC=CC=C12 M589123 [1,0,0,1,0,0|1,0,1]=4 952 B11R2.1 CN1C=CC2=CC=CC=C21 M108007 [1,0,0,1,0,0|2,0,0]=4 953 B11R2.1 CN1C=NC2=CC=CC=C21 M110306 [1,0,0,1,0,0|2,0,0]=4 954 B11R2.1 CN1C=NC2=CC=CC=C21 M399272 [1,0,0,1,0,0|2,0,0]=4 955 B11R2.1 C[N+]1=CSC2=CC=CC=C21 M158489 [1,0,0,1,0,0|1,1,0]=4 956 B11R2.4 C1C(C1N)C2=CC=CC=C2 R132818 [1,0,0,1,0,0|1,0,1]=4 957 B11R2.4 C1C(C1N)C2=CC=CC=C2 T275460 [1,0,0,1,0,0|1,0,1]=4 958 B11R2.4 C1C(C1N)C2=CC=CC=C2 T422413 [1,0,0,1,0,0|1,0,1]=4 959 B13R2.3028 CC1=CC2=C(C=C1)NC(=O)C2=O M139069 [0,0,0,1,0,1|1,0,1]=4 960 B13R2.3028 CC1CC2=C(C1=O)C=C(C=C2)F F347878 [0,0,0,1,0,1|1,0,0]=3 961 B13R2.3683 CC1=CC2=C(C=C1)C=C(C=C2)C D113443 [0,0,0,1,0,1|1,0,1]=4 962 B13R2.3683 CC1=CC2=C(C=C1)N=C(C=C2)C D136801 [0,0,0,1,0,1|1,0,1]=4 963 B13R2.2130 CN1C=CC2=C1C=CC(=C2)CN M195540 [0,1,0,1,0,0|2,0,0]=4 964 B13R2.2130 CN1C=CC2=C1C=CC(=C2)OC M588417 [0,1,0,1,0,0|2,0,0]=4 965 B13R2.12 CC1=CC=C(C=C1)C2CCCC2 C195195 [0,1,0,1,0,0|1,0,1]=4 966 B13R2.5179 CC1=CC2=CC=CC(=C2C=C1)C D171060 [0,1,0,1,0,0|1,0,1]=4 967 B13R2.5187 CC1=CC2=C(C=C1)C(=O)OC2=O M132537 [0,1,0,1,0,0|1,0,1]=4 968 B9R1.35 CC1=CC=C(O1)C(=O)C A113375 [1,0,0,0,1,0|1,0,1]=4 969 B9R1.35 CC1=CC=C(S1)C(=O)C A113376 [1,0,0,0,1,0|1,0,1]=4 970 B9R1.35 CC1=CSC(=C1)C(=O)C A167104 [1,0,0,0,1,0|1,0,1]=4 971 B11R1.40 C1=CC=C(C=C1)C=C(C=O)Br B102162 [1,0,0,0,0,1|1,0,1]=4 972 B11R1.40 C1=CC=C(C=C1)C=C(C=O)Cl C102191 [1,0,0,0,0,1|1,0,1]=4 973 B11R1.40 CC(=CC1=CC=CC=C1)C=O M102181 [1,0,0,0,0,1|0,0,1]=3 974 B11R1.40 CC(=CC1=CC=CC=C1)C=O M302967 [1,0,0,0,0,1|0,0,1]=3 975 B11R1.40 CC(CO)OC1=CC=CC=C1 P160292 [1,0,0,0,0,1|0,0,2]=4