0 B10R1.25 C1=C(C=NC(=C1F)CO)Br B172546 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.25 C1=C(C=NC(=C1N)CO)Br A173629 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.25 C1=C(N=C(C(=N1)C#N)Cl)Cl D176090 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.25 C1=CC(=NC(=C1CBr)Cl)F B586690 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.25 CC1=C(C=CC(=C1)Br)CN B193071 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.25 CC1=C(C=CC(=C1)Br)CN M491375 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.25 CC1=C(C=CC(=C1)Br)CO B153118 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.25 CC1=C(C=CC(=C1)Br)OC B122705 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.25 CC1=C(C=CC(=C1)Cl)CO C153314 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.25 CC1=C(C=CC(=C1)Cl)OC C153447 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.25 CC1=C(C=CC(=C1)F)CBr F137397 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.25 CC1=C(C=CC(=C1)N)OC M140237 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.25 CC1=C(C=CC(=C1)O)SC M158095 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.25 CC1=C(C=CC(=N1)Cl)C=O C187655 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.25 CC1=C(C=CC(=N1)N)C#N A168088 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.25 CC1=CC(=C(C=C1)C#N)C D154445 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.25 CC1=CC(=C(C=C1)C=O)C D103125 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.25 CC1=CC(=C(C=C1)CCl)C D304725 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.25 CC1=CC(=C(C=C1)CO)C D155716 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.25 CC1=CC(=C(C=C1)CO)Cl C588985 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.25 CC1=CC(=C(C=C1)NN)C D102567 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.25 CC1=CC(=C(C=C1)OC)Br B135797 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.25 CC1=CC(=C(C=C1)OC)N M114090 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.25 CC1=CC(=C(C=C1)OC)N M131613 [0,0,0,0,0,0|4,0,0]=4 24 B10R1.25 CC1=CC(=C(C=C1)OC)O M124273 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.25 CC1=CC(=C(N=C1)C#N)C D469646 [0,0,0,0,0,0|2,0,1]=3 26 B10R1.25 CC1=CC(=C(N=C1)CCl)C C590035 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.25 CC1=CC(=C(N=C1)OC)Br B186222 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.25 CC1=CC(=CN=C1C#N)Br B181763 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.25 CC1=CC(=CN=C1C=O)Br B355007 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.25 CC1=CC(=CN=C1OC)N W136054 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.25 CC1=NC(=C(C=C1)C#N)Cl C123053 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.25 CC1=NC=C(C(=N1)N)CN A188569 [0,0,0,0,0,0|4,0,0]=4 33 B10R1.25 CC1=NC=C(C(=N1)N)CO A151329 [0,0,0,0,0,0|4,0,0]=4 34 B10R1.25 CCC1=C(C=C(C=C1)C)C E156304 [0,0,0,0,0,0|2,0,0]=2 35 B10R1.25 CCC1=C(C=C(C=C1)O)O E100551 [0,0,0,0,0,0|4,0,0]=4 36 B10R1.25 CCC1=NC=C(N=C1C)C E103761 [0,0,0,0,0,0|0,0,0]=0 37 B10R1.25 CCC1=NC=C(N=C1C)C E133774 [0,0,0,0,0,0|0,0,0]=0 38 B10R1.25 COC1=C(C=C(C=N1)Br)Br W131876 [0,0,0,0,0,0|4,0,0]=4 39 B10R1.25 COC1=C(C=C(C=N1)Br)Cl B136789 [0,0,0,0,0,0|4,0,0]=4 40 B10R1.25 COC1=C(C=C(C=N1)Br)F B180531 [0,0,0,0,0,0|4,0,0]=4 41 B10R1.25 COC1=C(C=C(C=N1)Br)I B479205 [0,0,0,0,0,0|4,0,0]=4 42 B10R1.25 COC1=C(C=C(C=N1)Br)N B590515 [0,0,0,0,0,0|4,0,0]=4 43 B10R1.25 COC1=C(C=C(C=N1)Cl)Br B165529 [0,0,0,0,0,0|4,0,0]=4 44 B10R1.25 COC1=C(C=C(C=N1)F)Br B187647 [0,0,0,0,0,0|4,0,0]=4 45 B10R1.25 COC1=C(C=C(C=N1)F)F D133212 [0,0,0,0,0,0|4,0,0]=4 46 B10R1.25 COC1=C(C=C(C=N1)N)Br A185025 [0,0,0,0,0,0|4,0,0]=4 47 B10R1.25 COC1=C(C=C(C=N1)N)Cl C191174 [0,0,0,0,0,0|4,0,0]=4 48 B10R1.25 COC1=C(N=C(C=C1)Br)Br D590202 [0,0,0,0,0,0|4,0,0]=4 49 B10R1.25 COC1=C(N=C(C=C1)I)Br B169549 [0,0,0,0,0,0|4,0,0]=4 50 B10R1.25 COC1=C(N=C(C=C1)I)I D170361 [0,0,0,0,0,0|4,0,0]=4 51 B9R1.1 C1=C(N=CC(=N1)Cl)CO C177296 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.1 C1=CC(=NC=C1Br)CN B182096 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.1 C1=CC(=NC=C1Br)CO B121986 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.1 C1=CC(=NC=C1CBr)Cl B182268 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.1 C1=CC(=NC=C1CCl)Cl C106558 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.1 C1=CC(=NC=C1CN)Cl A113916 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.1 C1=CC(=NC=C1CO)Br B123090 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.1 C1=CC(=NC=C1CO)Cl C154056 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.1 C1=CC(=NC=C1CO)F F184294 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.1 C1=CC(=NC=C1CO)N A136079 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.1 C1=CC(=NC=C1F)CN A589490 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.1 C1=CC(=NC=C1F)CO F177498 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.1 CC1=CC=C(C=C1)CBr M109534 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.1 CC1=CC=C(C=C1)CCl A101683 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.1 CC1=CC=C(C=C1)CCl A164460 [1,0,0,0,0,0|3,0,0]=4 66 B9R1.1 CC1=CC=C(C=C1)CN M158669 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.1 CC1=CC=C(C=C1)CO M113648 [1,0,0,0,0,0|3,0,0]=4 68 B9R1.1 CC1=CC=C(C=C1)CS M113646 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.1 CC1=CC=C(C=C1)NC N159024 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.1 CC1=CC=C(C=C1)OC M106728 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.1 CC1=CC=C(C=C1)SC M101848 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.1 CC1=CN=C(C=C1)C#N C132411 [1,0,0,0,0,0|2,0,1]=4 73 B9R1.1 CC1=CN=C(C=C1)C=O M170606 [1,0,0,0,0,0|2,0,1]=4 74 B9R1.1 CC1=CN=C(C=C1)CN M589171 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.1 CC1=CN=C(C=C1)OC M181247 [1,0,0,0,0,0|2,0,0]=3 76 B9R1.1 CC1=CN=C(C=N1)C=O M176646 [1,0,0,0,0,0|1,0,1]=3 77 B9R1.1 CC1=CN=C(C=N1)CN A151407 [1,0,0,0,0,0|1,0,0]=2 78 B9R1.1 CC1=NC=C(C=C1)C#N C140251 [1,0,0,0,0,0|2,0,1]=4 79 B9R1.1 CC1=NC=C(C=C1)C=O W134999 [1,0,0,0,0,0|2,0,1]=4 80 B9R1.1 CC1=NC=C(C=C1)CO W136158 [1,0,0,0,0,0|2,0,0]=3 81 B9R1.1 CC1=NN=C(C=C1)OC M587689 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.1 CCC1=CC=C(C=C1)Br B101890 [1,0,0,0,0,0|3,0,0]=4 83 B9R1.1 CCC1=CC=C(C=C1)Br B141181 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.1 CCC1=CC=C(C=C1)C E123489 [1,0,0,0,0,0|2,0,0]=3 85 B9R1.1 CCC1=CC=C(C=C1)Cl C171229 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.1 CCC1=CC=C(C=C1)I E189089 [1,0,0,0,0,0|3,0,0]=4 87 B9R1.1 CCC1=CC=C(C=C1)N E102230 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.1 CCC1=CC=C(C=C1)O E115497 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.1 CCC1=CC=C(C=C1)S E156190 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.1 CCC1=CN=C(C=C1)C E101695 [1,0,0,0,0,0|1,0,0]=2 91 B9R1.1 CCC1=CN=C(C=C1)N E587963 [1,0,0,0,0,0|2,0,0]=3 92 B9R1.1 CCC1=CN=C(N=C1)Cl C124060 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.1 CCC1=NC=C(N=C1)C E302421 [1,0,0,0,0,0|0,0,0]=1 94 B9R1.1 CC[N+]1=CC=C(C=C1)C E303436 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.1 CNC1=CN=C(C=C1)Br B586167 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.1 COC1=CN=C(C=C1)Br B179025 [1,0,0,0,0,0|3,0,0]=4 97 B9R1.1 COC1=CN=C(C=C1)Cl C190823 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.1 COC1=CN=C(C=C1)F F190725 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.1 COC1=CN=C(C=C1)N M171668 [1,0,0,0,0,0|3,0,0]=4 100 B9R1.1 COC1=NC=C(C=C1)Br B115758 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.1 COC1=NC=C(C=C1)Cl C120716 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.1 COC1=NC=C(C=C1)F F120714 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.1 COC1=NC=C(C=C1)I I132230 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.1 COC1=NC=C(C=C1)N A151664 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.1 COC1=NC=C(C=C1)N A400674 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.1 COC1=NC=C(C=C1)O H184927 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.1 CSC1=NC=C(C=C1)Br B122969 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.15 C#CC1=NC=CN=C1N A178706 [1,0,0,0,0,0|1,0,2]=4 109 B9R1.15 C1=CC(=C(N=C1)Br)CBr B123443 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.15 C1=CC(=C(N=C1)Br)CO B151848 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.15 C1=CC(=C(N=C1)CCl)Br B180455 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.15 C1=CC(=C(N=C1)CO)Br B184967 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.15 C1=CC(=C(N=C1)CO)F F176083 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.15 C1=CC(=C(N=C1)Cl)CO C154080 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.15 C1=CC(=C(N=C1)N)CO A119400 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.15 C1=CN=C(C(=N1)C#N)N A192366 [1,0,0,0,0,0|2,0,1]=4 117 B9R1.15 C1=CN=C(C(=N1)C=O)N A176139 [1,0,0,0,0,0|2,0,1]=4 118 B9R1.15 CC1=C(C=CC=N1)C#N M174953 [1,0,0,0,0,0|2,0,1]=4 119 B9R1.15 CC1=C(C=CC=N1)C=O M176904 [1,0,0,0,0,0|2,0,1]=4 120 B9R1.15 CC1=C(C=CC=N1)CO W136400 [1,0,0,0,0,0|2,0,0]=3 121 B9R1.15 CC1=C(N=CC=C1)C#N C108042 [1,0,0,0,0,0|2,0,1]=4 122 B9R1.15 CC1=C(N=CC=C1)C=O M120655 [1,0,0,0,0,0|2,0,1]=4 123 B9R1.15 CC1=C(N=CC=C1)CN A482619 [1,0,0,0,0,0|2,0,0]=3 124 B9R1.15 CC1=CC=CC=C1CBr M139409 [1,0,0,0,0,0|3,0,0]=4 125 B9R1.15 CC1=CC=CC=C1CCl M101671 [1,0,0,0,0,0|3,0,0]=4 126 B9R1.15 CC1=CC=CC=C1CN M158667 [1,0,0,0,0,0|3,0,0]=4 127 B9R1.15 CC1=CC=CC=C1CO M157901 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.15 CC1=CC=CC=C1CS M300495 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.15 CC1=CC=CC=C1NC N159021 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.15 CC1=CC=CC=C1OC M158113 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.15 CC1=NC=CN=C1CO M174600 [1,0,0,0,0,0|1,0,0]=2 132 B9R1.15 CC1=NC=CN=C1OC M102551 [1,0,0,0,0,0|1,0,0]=2 133 B9R1.15 CC1=NC=CN=C1SC M102553 [1,0,0,0,0,0|1,0,0]=2 134 B9R1.15 CCC1=CC=CC=C1Br B138432 [1,0,0,0,0,0|3,0,0]=4 135 B9R1.15 CCC1=CC=CC=C1C E140581 [1,0,0,0,0,0|2,0,0]=3 136 B9R1.15 CCC1=CC=CC=C1I E189052 [1,0,0,0,0,0|3,0,0]=4 137 B9R1.15 CCC1=CC=CC=C1N E106226 [1,0,0,0,0,0|3,0,0]=4 138 B9R1.15 CCC1=CC=CC=C1O E156225 [1,0,0,0,0,0|3,0,0]=4 139 B9R1.15 CCC1=CC=CC=C1S E101792 [1,0,0,0,0,0|3,0,0]=4 140 B9R1.15 CCC1=NC=CN=C1C E105685 [1,0,0,0,0,0|0,0,0]=1 141 B9R1.15 CCC1=NC=NC=C1F E173725 [1,0,0,0,0,0|3,0,0]=4 142 B9R1.15 CC[N+]1=CC=CC=C1C E303437 [1,0,0,0,0,0|3,0,0]=4 143 B9R1.15 CNC1=C(C=CC=N1)N N589280 [1,0,0,0,0,0|3,0,0]=4 144 B9R1.15 COC1=C(C=CC=N1)Br B120788 [1,0,0,0,0,0|3,0,0]=4 145 B9R1.15 COC1=C(C=CC=N1)Cl C153781 [1,0,0,0,0,0|3,0,0]=4 146 B9R1.15 COC1=C(C=CC=N1)F F195529 [1,0,0,0,0,0|3,0,0]=4 147 B9R1.15 COC1=C(C=CC=N1)I l102600 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.15 COC1=C(C=CC=N1)N M102591 [1,0,0,0,0,0|3,0,0]=4 149 B9R1.15 COC1=C(C=CC=N1)O M587025 [1,0,0,0,0,0|3,0,0]=4 150 B9R1.15 COC1=C(N=CC=C1)Br B120786 [1,0,0,0,0,0|3,0,0]=4 151 B9R1.15 COC1=C(N=CC=C1)Cl C135954 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.15 COC1=C(N=CC=C1)F F191342 [1,0,0,0,0,0|3,0,0]=4 153 B9R1.15 COC1=C(N=CC=C1)N A165482 [1,0,0,0,0,0|3,0,0]=4 154 B9R1.15 COC1=NC=CN=C1Cl C193237 [1,0,0,0,0,0|2,0,0]=3 155 B9R1.15 COC1=NC=CN=C1N M589216 [1,0,0,0,0,0|2,0,0]=3 156 B9R1.69 C1=C(N=C(C(=N1)Br)Cl)N B135308 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.69 C1=C(N=C(C(=N1)Cl)Br)Br D179322 [1,0,0,0,0,0|3,0,0]=4 158 B9R1.69 C1=C(N=C(C(=N1)Cl)N)Br B179323 [1,0,0,0,0,0|3,0,0]=4 159 B9R1.69 C1=C(N=C(C(=N1)N)Br)Br A103126 [1,0,0,0,0,0|3,0,0]=4 160 B9R1.69 C1=C(N=C(C(=N1)N)Br)Cl A186489 [1,0,0,0,0,0|3,0,0]=4 161 B9R1.69 C1=C(N=C(C(=N1)N)Cl)Cl D187416 [1,0,0,0,0,0|3,0,0]=4 162 B9R1.69 C1=C(N=C(C(=N1)N)N)Br B178041 [1,0,0,0,0,0|3,0,0]=4 163 B9R1.69 CC1=C(C=C(C=C1)Br)C B101675 [1,0,0,0,0,0|3,0,0]=4 164 B9R1.69 CC1=C(C=C(C=C1)Br)C B101676 [1,0,0,0,0,0|3,0,0]=4 165 B9R1.69 CC1=C(C=C(C=C1)Cl)C C113569 [1,0,0,0,0,0|3,0,0]=4 166 B9R1.69 CC1=C(C=C(C=C1)F)C F124479 [1,0,0,0,0,0|3,0,0]=4 167 B9R1.69 CC1=C(C=C(C=C1)I)C D123657 [1,0,0,0,0,0|3,0,0]=4 168 B9R1.69 CC1=C(C=C(C=C1)N)C D113394 [1,0,0,0,0,0|3,0,0]=4 169 B9R1.69 CC1=C(C=C(C=C1)O)C D104347 [1,0,0,0,0,0|3,0,0]=4 170 B9R1.69 CC1=C(C=C(C=C1)O)C D117389 [1,0,0,0,0,0|3,0,0]=4 171 B9R1.69 CC1=C(C=C(C=N1)Br)Cl B178179 [1,0,0,0,0,0|3,0,0]=4 172 B9R1.69 CC1=C(C=C(C=N1)Br)N A139435 [1,0,0,0,0,0|3,0,0]=4 173 B9R1.69 CC1=C(C=C(C=N1)F)Br B586615 [1,0,0,0,0,0|3,0,0]=4 174 B9R1.69 CC1=C(C=C(C=N1)N)Br B175304 [1,0,0,0,0,0|3,0,0]=4 175 B9R1.69 CC1=C(C=CC(=N1)Br)Br W134958 [1,0,0,0,0,0|3,0,0]=4 176 B9R1.69 CC1=C(C=CC(=N1)Br)F B184106 [1,0,0,0,0,0|3,0,0]=4 177 B9R1.69 CC1=C(C=CC(=N1)Br)N A151749 [1,0,0,0,0,0|3,0,0]=4 178 B9R1.69 CC1=C(C=CC(=N1)Br)O B189928 [1,0,0,0,0,0|3,0,0]=4 179 B9R1.69 CC1=C(C=CC(=N1)Cl)Br B151865 [1,0,0,0,0,0|3,0,0]=4 180 B9R1.69 CC1=C(C=CC(=N1)Cl)F C187646 [1,0,0,0,0,0|3,0,0]=4 181 B9R1.69 CC1=C(C=CC(=N1)Cl)N A137489 [1,0,0,0,0,0|3,0,0]=4 182 B9R1.69 CC1=C(C=CC(=N1)Cl)O C588169 [1,0,0,0,0,0|3,0,0]=4 183 B9R1.69 CC1=C(C=CC(=N1)F)Br B184112 [1,0,0,0,0,0|3,0,0]=4 184 B9R1.69 CC1=C(C=CC(=N1)N)Br A101193 [1,0,0,0,0,0|3,0,0]=4 185 B9R1.69 CC1=C(C=CC(=N1)N)Cl W134135 [1,0,0,0,0,0|3,0,0]=4 186 B9R1.69 CC1=C(C=CC(=N1)N)I I139241 [1,0,0,0,0,0|3,0,0]=4 187 B9R1.69 CC1=C(N=C(C=C1)Br)N B178057 [1,0,0,0,0,0|3,0,0]=4 188 B9R1.69 CC1=C(N=C(C=C1)Cl)Cl D139037 [1,0,0,0,0,0|3,0,0]=4 189 B9R1.69 CC1=C(N=C(C=C1)N)Br B178058 [1,0,0,0,0,0|3,0,0]=4 190 B9R1.69 CC1=C(N=C(C=C1)N)C A406933 [1,0,0,0,0,0|2,0,0]=3 191 B9R1.69 CC1=C(N=C(C=C1)N)Cl C184559 [1,0,0,0,0,0|3,0,0]=4 192 B9R1.69 CC1=C(N=NC(=N1)N)C A151175 [1,0,0,0,0,0|2,0,0]=3 193 B9R1.69 CC1=CC(=C(C=C1)Br)C B101634 [1,0,0,0,0,0|3,0,0]=4 194 B9R1.69 CC1=CC(=C(C=C1)C)Br D107975 [1,0,0,0,0,0|3,0,0]=4 195 B9R1.69 CC1=CC(=C(C=C1)C)C T110885 [1,0,0,0,0,0|2,0,0]=3 196 B9R1.69 CC1=CC(=C(C=C1)C)C T110887 [1,0,0,0,0,0|2,0,0]=3 197 B9R1.69 CC1=CC(=C(C=C1)C)C T110888 [1,0,0,0,0,0|2,0,0]=3 198 B9R1.69 CC1=CC(=C(C=C1)C)C T128160 [1,0,0,0,0,0|2,0,0]=3 199 B9R1.69 CC1=CC(=C(C=C1)C)Cl C122701 [1,0,0,0,0,0|3,0,0]=4 200 B9R1.69 CC1=CC(=C(C=C1)C)F F186090 [1,0,0,0,0,0|3,0,0]=4 201 B9R1.69 CC1=CC(=C(C=C1)C)N D106348 [1,0,0,0,0,0|3,0,0]=4 202 B9R1.69 CC1=CC(=C(C=C1)C)O D104331 [1,0,0,0,0,0|3,0,0]=4 203 B9R1.69 CC1=CC(=C(C=C1)C)O D104332 [1,0,0,0,0,0|3,0,0]=4 204 B9R1.69 CC1=CC(=C(C=C1)C)O D117388 [1,0,0,0,0,0|3,0,0]=4 205 B9R1.69 CC1=CC(=C(C=C1)C)S D101775 [1,0,0,0,0,0|3,0,0]=4 206 B9R1.69 CC1=CC(=C(C=C1)Cl)C C405487 [1,0,0,0,0,0|3,0,0]=4 207 B9R1.69 CC1=CC(=C(C=C1)I)C I157574 [1,0,0,0,0,0|3,0,0]=4 208 B9R1.69 CC1=CC(=C(C=C1)N)C D105631 [1,0,0,0,0,0|3,0,0]=4 209 B9R1.69 CC1=CC(=C(C=C1)N)C D105632 [1,0,0,0,0,0|3,0,0]=4 210 B9R1.69 CC1=CC(=C(C=C1)N)C D154317 [1,0,0,0,0,0|3,0,0]=4 211 B9R1.69 CC1=CC(=C(C=C1)O)C D112715 [1,0,0,0,0,0|3,0,0]=4 212 B9R1.69 CC1=CC(=C(C=C1)O)C D117387 [1,0,0,0,0,0|3,0,0]=4 213 B9R1.69 CC1=CC(=C(C=C1)O)C D472061 [1,0,0,0,0,0|3,0,0]=4 214 B9R1.69 CC1=CC(=C(C=C1)S)C D101774 [1,0,0,0,0,0|3,0,0]=4 215 B9R1.69 CC1=CC(=C(N=C1)Br)Br D121800 [1,0,0,0,0,0|3,0,0]=4 216 B9R1.69 CC1=CC(=C(N=C1)Br)C B188354 [1,0,0,0,0,0|2,0,0]=3 217 B9R1.69 CC1=CC(=C(N=C1)Br)N A183879 [1,0,0,0,0,0|3,0,0]=4 218 B9R1.69 CC1=CC(=C(N=C1)C)C C109929 [1,0,0,0,0,0|1,0,0]=2 219 B9R1.69 CC1=CC(=C(N=C1)Cl)Br B405195 [1,0,0,0,0,0|3,0,0]=4 220 B9R1.69 CC1=CC(=C(N=C1)Cl)Cl D136951 [1,0,0,0,0,0|3,0,0]=4 221 B9R1.69 CC1=CC(=C(N=C1)Cl)F C135824 [1,0,0,0,0,0|3,0,0]=4 222 B9R1.69 CC1=CC(=C(N=C1)Cl)I C171129 [1,0,0,0,0,0|3,0,0]=4 223 B9R1.69 CC1=CC(=C(N=C1)Cl)N A151741 [1,0,0,0,0,0|3,0,0]=4 224 B9R1.69 CC1=CC(=C(N=C1)Cl)O C195775 [1,0,0,0,0,0|3,0,0]=4 225 B9R1.69 CC1=CC(=C(N=C1)F)Br B129177 [1,0,0,0,0,0|3,0,0]=4 226 B9R1.69 CC1=CC(=C(N=C1)F)I F119656 [1,0,0,0,0,0|3,0,0]=4 227 B9R1.69 CC1=CC(=C(N=C1)N)Br A151670 [1,0,0,0,0,0|3,0,0]=4 228 B9R1.69 CC1=CC(=C(N=C1)N)C D193349 [1,0,0,0,0,0|2,0,0]=3 229 B9R1.69 CC1=CC(=C(N=C1)N)Cl A151674 [1,0,0,0,0,0|3,0,0]=4 230 B9R1.69 CC1=CC(=C(N=C1)N)I I168541 [1,0,0,0,0,0|3,0,0]=4 231 B9R1.69 CC1=CC(=CN=C1Br)Br D154210 [1,0,0,0,0,0|3,0,0]=4 232 B9R1.69 CC1=CC(=CN=C1Br)Cl B185847 [1,0,0,0,0,0|3,0,0]=4 233 B9R1.69 CC1=CC(=CN=C1Br)F B119669 [1,0,0,0,0,0|3,0,0]=4 234 B9R1.69 CC1=CC(=CN=C1Br)I B151864 [1,0,0,0,0,0|3,0,0]=4 235 B9R1.69 CC1=CC(=CN=C1Br)N A151752 [1,0,0,0,0,0|3,0,0]=4 236 B9R1.69 CC1=CC(=CN=C1Br)O B178697 [1,0,0,0,0,0|3,0,0]=4 237 B9R1.69 CC1=CC(=CN=C1C)N D589816 [1,0,0,0,0,0|2,0,0]=3 238 B9R1.69 CC1=CC(=CN=C1Cl)Br B102593 [1,0,0,0,0,0|3,0,0]=4 239 B9R1.69 CC1=CC(=CN=C1Cl)F C138770 [1,0,0,0,0,0|3,0,0]=4 240 B9R1.69 CC1=CC(=CN=C1Cl)N A137214 [1,0,0,0,0,0|3,0,0]=4 241 B9R1.69 CC1=CC(=CN=C1Cl)O C193845 [1,0,0,0,0,0|3,0,0]=4 242 B9R1.69 CC1=CC(=CN=C1F)Br B121813 [1,0,0,0,0,0|3,0,0]=4 243 B9R1.69 CC1=CC(=CN=C1F)Cl C184113 [1,0,0,0,0,0|3,0,0]=4 244 B9R1.69 CC1=CC(=CN=C1F)N A480624 [1,0,0,0,0,0|3,0,0]=4 245 B9R1.69 CC1=CC(=CN=C1F)O F587834 [1,0,0,0,0,0|3,0,0]=4 246 B9R1.69 CC1=CC(=CN=C1N)Br A151675 [1,0,0,0,0,0|3,0,0]=4 247 B9R1.69 CC1=CC(=CN=C1N)Cl A151671 [1,0,0,0,0,0|3,0,0]=4 248 B9R1.69 CC1=CC(=CN=C1N)I I132791 [1,0,0,0,0,0|3,0,0]=4 249 B9R1.69 CC1=CN=C(C(=N1)C)C T106601 [1,0,0,0,0,0|0,0,0]=1 250 B9R1.69 CC1=CN=C(C(=N1)C)Cl C153710 [1,0,0,0,0,0|1,0,0]=2 251 B9R1.69 CC1=CN=C(C(=N1)Cl)C C139492 [1,0,0,0,0,0|1,0,0]=2 252 B9R1.69 CC1=CN=C(C(=N1)Cl)N C195628 [1,0,0,0,0,0|2,0,0]=3 253 B9R1.69 CC1=CN=C(N=C1Cl)C C479451 [1,0,0,0,0,0|3,0,0]=4 254 B9R1.69 CC1=NC(=C(C=C1)Br)Br D491558 [1,0,0,0,0,0|3,0,0]=4 255 B9R1.69 CC1=NC(=C(C=C1)Br)C B138700 [1,0,0,0,0,0|2,0,0]=3 256 B9R1.69 CC1=NC(=C(C=C1)Br)Cl B587814 [1,0,0,0,0,0|3,0,0]=4 257 B9R1.69 CC1=NC(=C(C=C1)Br)N A120782 [1,0,0,0,0,0|3,0,0]=4 258 B9R1.69 CC1=NC(=C(C=C1)Cl)Br B586619 [1,0,0,0,0,0|3,0,0]=4 259 B9R1.69 CC1=NC(=C(C=C1)Cl)Cl D185160 [1,0,0,0,0,0|3,0,0]=4 260 B9R1.69 CC1=NC(=C(C=C1)F)Br B169985 [1,0,0,0,0,0|3,0,0]=4 261 B9R1.69 CC1=NC(=C(C=C1)F)Cl C184102 [1,0,0,0,0,0|3,0,0]=4 262 B9R1.69 CC1=NC(=C(C=C1)N)Br A180939 [1,0,0,0,0,0|3,0,0]=4 263 B9R1.69 CC1=NC(=C(C=C1)N)C A121811 [1,0,0,0,0,0|2,0,0]=3 264 B9R1.69 CC1=NC(=C(C=C1)N)Cl A588986 [1,0,0,0,0,0|3,0,0]=4 265 B9R1.69 CC1=NC(=C(C=C1)O)Br B183008 [1,0,0,0,0,0|3,0,0]=4 266 B9R1.69 CC1=NC(=C(C=C1)O)I H121812 [1,0,0,0,0,0|3,0,0]=4 267 B9R1.69 CC1=NC(=C(C=C1)O)N A191936 [1,0,0,0,0,0|3,0,0]=4 268 B9R1.69 CC1=NC=C(N=C1C)Cl C589603 [1,0,0,0,0,0|1,0,0]=2 269 B9R1.69 CC1=NC=C(N=C1Cl)Cl D590594 [1,0,0,0,0,0|2,0,0]=3 270 B11R1.37 CC1=CC(=C(C=C1)OC)OC B135636 [0,1,0,0,0,0|3,0,0]=4 271 B11R1.37 CC1=CC(=C(N=C1)OC)C=O M166456 [0,1,0,0,0,0|2,0,1]=4 272 B11R1.37 CC1=CN=C(C(=N1)C#N)C#N D154793 [0,1,0,0,0,0|1,0,2]=4 273 B11R1.37 CC1=NC(=C(C=C1)OC)OC D187204 [0,1,0,0,0,0|2,0,0]=3 274 B11R1.37 CCC1=NC=C(N=C1CC)C D103575 [0,1,0,0,0,0|0,0,0]=1 275 B11R1.37 COC1=C(C=C(C=N1)Br)CO B176227 [0,1,0,0,0,0|3,0,0]=4 276 B11R1.37 COC1=C(C=C(C=N1)Cl)CO C169809 [0,1,0,0,0,0|3,0,0]=4 277 B11R1.37 COC1=C(C=C(C=N1)F)CO F195484 [0,1,0,0,0,0|3,0,0]=4 278 B11R1.37 COC1=C(N=C(C=C1)Cl)OC C165861 [0,1,0,0,0,0|3,0,0]=4 279 B11R1.37 COC1=C(N=C(C=C1)I)OC I183671 [0,1,0,0,0,0|3,0,0]=4 280 B11R1.37 COC1=C(N=CC(=C1)Br)OC B184979 [0,1,0,0,0,0|3,0,0]=4 281 B11R1.37 COC1=C(N=CC(=C1)Cl)OC C169259 [0,1,0,0,0,0|3,0,0]=4 282 B11R1.37 COC1=NC=C(N=C1OC)Br B187874 [0,1,0,0,0,0|2,0,0]=3 283 B11R1.166 CC1=C(C=CC(=C1)O)C(C)C I157507 [0,1,0,0,0,0|3,0,0]=4 284 B11R1.166 CC1=CC(=C(C=C1)C(=O)C)C D108574 [0,1,0,0,0,0|2,0,1]=4 285 B11R1.166 CC1=CC(=C(C=C1)C(C)C)O T104425 [0,1,0,0,0,0|3,0,0]=4 286 B11R1.166 CC1=CC(=C(C=C1)C(C)C)O T104426 [0,1,0,0,0,0|3,0,0]=4 287 B11R1.166 CC1=CC(=C(C=C1)C(C)C)O T118449 [0,1,0,0,0,0|3,0,0]=4 288 B11R1.166 CC1=CC(=C(C=C1)C(C)C)O T426745 [0,1,0,0,0,0|3,0,0]=4 289 B11R1.166 CC1=CN=C(C(=N1)C)C(=O)C A135006 [0,1,0,0,0,0|0,0,1]=2 290 B11R1.166 CC1=NC(=C(C=C1)C(=O)O)C D185385 [0,1,0,0,0,0|2,0,1]=4 291 B11R1.166 CC1=NC(=C(C=C1)[N+](=O)[O-])C D131902 [0,1,0,0,0,0|3,0,0]=4 292 B11R1.277 CC1=C(N=C(C(=N1)C)CO)C T194937 [0,1,0,0,0,0|1,0,0]=2 293 B11R1.279 CC1=C(C=CC(=C1)CCl)OC C194161 [0,1,0,0,0,0|3,0,0]=4 294 B11R1.279 CC1=C(C=CC(=C1)OC)OC D155374 [0,1,0,0,0,0|3,0,0]=4 295 B11R1.464 CC1=CC(=C(C(=C1)C)CCl)C S167616 [0,1,0,0,0,0|3,0,0]=4 296 B11R1.464 CC1=CC(=C(C(=C1)C)CO)C T161538 [0,1,0,0,0,0|3,0,0]=4 297 B11R1.464 CC1=CC(=C(C(=C1)C)OC)C M589015 [0,1,0,0,0,0|3,0,0]=4 298 B11R2.36 C1CC2=C(C1)C=C(C=C2)N A151769 [0,0,0,1,0,0|3,0,0]=4 299 B11R2.36 C1CC2=C(C1)C=C(C=C2)O H157229 [0,0,0,1,0,0|3,0,0]=4 300 B11R2.36 C1CC2=C(C1)N=C(C=C2)Cl C586503 [0,0,0,1,0,0|2,0,0]=3 301 B9R1.22 CC1=C(SC(=N1)Br)CO B480089 [0,0,0,0,1,0|3,0,0]=4 302 B9R1.22 CC1=C(SC(=N1)C)CO D193615 [0,0,0,0,1,0|2,0,0]=3 303 B9R1.22 CC1=CC(=C(N1)C)C=O D478848 [0,0,0,0,1,0|1,0,2]=4 304 B9R1.22 CC1=CC(=NN1CO)C D154762 [0,0,0,0,1,0|3,0,0]=4 305 B9R1.22 CC1=NN(C(=C1)C=O)C D588409 [0,0,0,0,1,0|2,0,1]=4 306 B9R1.22 CC1=NN(C(=C1)CCl)C C177652 [0,0,0,0,1,0|2,0,0]=3 307 B9R1.22 CC1=NN(C=C1C=O)C D192302 [0,0,0,0,1,0|2,0,1]=4 308 B9R1.22 CC1=NN(C=C1CN)C D589005 [0,0,0,0,1,0|2,0,0]=3 309 B9R1.132 CCN1C=C[N+](=C1C)C E169326 [0,0,0,0,1,0|3,0,0]=4 310 B9R1.132 CCN1C=C[N+](=C1C)C E189240 [0,0,0,0,1,0|3,0,0]=4 311 B9R1.132 CCN1C=C[N+](=C1C)C E303395 [0,0,0,0,1,0|3,0,0]=4 312 B9R1.132 CCN1C=C[N+](=C1C)C E342191 [0,0,0,0,1,0|3,0,0]=4 313 B8R1.2 C1=CC(=CN=C1)CBr B137612 [2,0,0,0,0,0|2,0,0]=4 314 B8R1.2 C1=CC(=CN=C1)CCl P135883 [2,0,0,0,0,0|2,0,0]=4 315 B8R1.2 C1=CC(=CN=C1)CN P160053 [2,0,0,0,0,0|2,0,0]=4 316 B8R1.2 C1=CC(=CN=C1)CO P106580 [2,0,0,0,0,0|2,0,0]=4 317 B8R1.2 C1=CC=NC(=C1)CBr B169474 [2,0,0,0,0,0|2,0,0]=4 318 B8R1.2 C1=CC=NC(=C1)CCl C117226 [2,0,0,0,0,0|2,0,0]=4 319 B8R1.2 C1=CC=NC(=C1)CN P107146 [2,0,0,0,0,0|2,0,0]=4 320 B8R1.2 C1=CC=NC(=C1)CO P106578 [2,0,0,0,0,0|2,0,0]=4 321 B8R1.2 C1=CN=C(C=N1)C#N P121629 [2,0,0,0,0,0|1,0,1]=4 322 B8R1.2 C1=CN=C(C=N1)C=O P176847 [2,0,0,0,0,0|1,0,1]=4 323 B8R1.2 C1=CN=C(C=N1)CN P175485 [2,0,0,0,0,0|1,0,0]=3 324 B8R1.2 C1=CN=C(C=N1)NN H176751 [2,0,0,0,0,0|2,0,0]=4 325 B8R1.2 CCC1=CC=CC=C1 E108144 [2,0,0,0,0,0|2,0,0]=4 326 B8R1.2 CCC1=CC=CC=C1 E108145 [2,0,0,0,0,0|2,0,0]=4 327 B8R1.2 CCC1=CC=CC=C1 E108146 [2,0,0,0,0,0|2,0,0]=4 328 B8R1.2 CCC1=CC=CC=C1 E108148 [2,0,0,0,0,0|2,0,0]=4 329 B8R1.2 CCC1=CC=CC=C1 E108149 [2,0,0,0,0,0|2,0,0]=4 330 B8R1.2 CCC1=CC=CC=C1 E117364 [2,0,0,0,0,0|2,0,0]=4 331 B8R1.2 CCC1=CC=CC=N1 E156565 [2,0,0,0,0,0|1,0,0]=3 332 B8R1.2 CCC1=CN=CC=C1 E156048 [2,0,0,0,0,0|1,0,0]=3 333 B8R1.2 CCC1=NC=CN=C1 E156371 [2,0,0,0,0,0|0,0,0]=2 334 B8R1.2 CNC1=CC=CC=N1 M158828 [2,0,0,0,0,0|2,0,0]=4 335 B8R1.2 CNC1=CN=CC=C1 M158833 [2,0,0,0,0,0|2,0,0]=4 336 B8R1.2 COC1=CC=CC=N1 M120557 [2,0,0,0,0,0|2,0,0]=4 337 B8R1.2 COC1=CN=CC=C1 M134006 [2,0,0,0,0,0|2,0,0]=4 338 B8R1.2 COC1=NC=CN=C1 M136222 [2,0,0,0,0,0|1,0,0]=3 339 B8R1.2 CSC1=CC=CC=N1 M132299 [2,0,0,0,0,0|2,0,0]=4 340 B8R1.2 CSC1=NC=CN=C1 M132836 [2,0,0,0,0,0|1,0,0]=3 341 B8R1.2 CSC1=NC=CN=N1 M169273 [2,0,0,0,0,0|2,0,0]=4 342 B8R1.3 C1=C(N=CC(=N1)Br)Br D154926 [2,0,0,0,0,0|2,0,0]=4 343 B8R1.3 C1=C(N=CC(=N1)Br)N A115828 [2,0,0,0,0,0|2,0,0]=4 344 B8R1.3 C1=C(N=CC(=N1)Cl)Cl D175458 [2,0,0,0,0,0|2,0,0]=4 345 B8R1.3 C1=C(N=CC(=N1)Cl)N A122400 [2,0,0,0,0,0|2,0,0]=4 346 B8R1.3 C1=C(N=CC(=N1)I)Br B176964 [2,0,0,0,0,0|2,0,0]=4 347 B8R1.3 C1=C(N=CC(=N1)I)Cl C179057 [2,0,0,0,0,0|2,0,0]=4 348 B8R1.3 CC1=CC=C(C=C1)C X103333 [2,0,0,0,0,0|2,0,0]=4 349 B8R1.3 CC1=CC=C(C=C1)C X103334 [2,0,0,0,0,0|2,0,0]=4 350 B8R1.3 CC1=CC=C(C=C1)C X103336 [2,0,0,0,0,0|2,0,0]=4 351 B8R1.3 CC1=CC=C(C=C1)C X103338 [2,0,0,0,0,0|2,0,0]=4 352 B8R1.3 CC1=CC=C(C=C1)C X103339 [2,0,0,0,0,0|2,0,0]=4 353 B8R1.3 CC1=CC=C(C=C1)C X103342 [2,0,0,0,0,0|2,0,0]=4 354 B8R1.3 CC1=CC=C(C=C1)C X119715 [2,0,0,0,0,0|2,0,0]=4 355 B8R1.3 CC1=CC=C(C=C1)C X128149 [2,0,0,0,0,0|2,0,0]=4 356 B8R1.3 CC1=CN=C(C=C1)Br B120720 [2,0,0,0,0,0|2,0,0]=4 357 B8R1.3 CC1=CN=C(C=C1)C L111803 [2,0,0,0,0,0|1,0,0]=3 358 B8R1.3 CC1=CN=C(C=C1)Cl C122971 [2,0,0,0,0,0|2,0,0]=4 359 B8R1.3 CC1=CN=C(C=C1)F F120713 [2,0,0,0,0,0|2,0,0]=4 360 B8R1.3 CC1=CN=C(C=C1)N A107505 [2,0,0,0,0,0|2,0,0]=4 361 B8R1.3 CC1=CN=C(C=N1)C D106345 [2,0,0,0,0,0|0,0,0]=2 362 B8R1.3 CC1=CN=C(C=N1)Cl C110233 [2,0,0,0,0,0|1,0,0]=3 363 B8R1.3 CC1=CN=C(C=N1)N M133886 [2,0,0,0,0,0|1,0,0]=3 364 B8R1.3 CC1=CNC(=O)C=N1 M191984 [2,0,0,0,0,0|1,0,1]=4 365 B8R1.3 CC1=NC=C(C=C1)Br B123445 [2,0,0,0,0,0|2,0,0]=4 366 B8R1.3 CC1=NC=C(C=C1)Cl C186235 [2,0,0,0,0,0|2,0,0]=4 367 B8R1.3 CC1=NC=C(C=C1)F F489688 [2,0,0,0,0,0|2,0,0]=4 368 B8R1.3 CC1=NC=C(C=C1)N A103049 [2,0,0,0,0,0|2,0,0]=4 369 B8R1.3 CC1=NC=C(C=C1)O H156935 [2,0,0,0,0,0|2,0,0]=4 370 B8R1.3 CC1=NN=C(C=C1)C D587537 [2,0,0,0,0,0|2,0,0]=4 371 B8R1.3 CC1=NN=C(N=N1)C D404324 [2,0,0,0,0,0|2,0,0]=4 372 B8R1.5 C1=CN=C(C(=N1)Cl)Cl D123437 [2,0,0,0,0,0|2,0,0]=4 373 B8R1.5 C1=CN=C(C(=N1)N)Cl A121861 [2,0,0,0,0,0|2,0,0]=4 374 B8R1.5 C1=CN=C(C(=N1)N)Cl A469516 [2,0,0,0,0,0|2,0,0]=4 375 B8R1.5 C1=CN=C(C(=N1)N)N D190531 [2,0,0,0,0,0|2,0,0]=4 376 B8R1.5 CC1=C(C=CC=N1)Br B120553 [2,0,0,0,0,0|2,0,0]=4 377 B8R1.5 CC1=C(C=CC=N1)F F191212 [2,0,0,0,0,0|2,0,0]=4 378 B8R1.5 CC1=C(C=CC=N1)N A103064 [2,0,0,0,0,0|2,0,0]=4 379 B8R1.5 CC1=C(C=CC=N1)O H122390 [2,0,0,0,0,0|2,0,0]=4 380 B8R1.5 CC1=C(N=CC=C1)Br B110258 [2,0,0,0,0,0|2,0,0]=4 381 B8R1.5 CC1=C(N=CC=C1)C L109204 [2,0,0,0,0,0|1,0,0]=3 382 B8R1.5 CC1=C(N=CC=C1)Cl C124347 [2,0,0,0,0,0|2,0,0]=4 383 B8R1.5 CC1=C(N=CC=C1)F F119658 [2,0,0,0,0,0|2,0,0]=4 384 B8R1.5 CC1=C(N=CC=C1)N A107212 [2,0,0,0,0,0|2,0,0]=4 385 B8R1.5 CC1=C(N=CC=C1)N A140869 [2,0,0,0,0,0|2,0,0]=4 386 B8R1.5 CC1=CC=CC=C1C O102277 [2,0,0,0,0,0|2,0,0]=4 387 B8R1.5 CC1=CC=CC=C1C X108969 [2,0,0,0,0,0|2,0,0]=4 388 B8R1.5 CC1=CC=CC=C1C X108971 [2,0,0,0,0,0|2,0,0]=4 389 B8R1.5 CC1=CC=CC=C1C X108972 [2,0,0,0,0,0|2,0,0]=4 390 B8R1.5 CC1=CC=CC=C1C X117370 [2,0,0,0,0,0|2,0,0]=4 391 B8R1.5 CC1=CC=CC=C1C X117372 [2,0,0,0,0,0|2,0,0]=4 392 B8R1.5 CC1=CC=CC=C1C X119713 [2,0,0,0,0,0|2,0,0]=4 393 B8R1.5 CC1=CC=CC=C1C X128150 [2,0,0,0,0,0|2,0,0]=4 394 B8R1.5 CC1=NC=CN=C1C D106292 [2,0,0,0,0,0|0,0,0]=2 395 B8R1.5 CC1=NC=CN=C1Cl C479894 [2,0,0,0,0,0|1,0,0]=3 396 B8R1.5 CC1=NC=CNC1=O H132311 [2,0,0,0,0,0|1,0,1]=4 397 B8R1.4 C1=C(N=C(C=N1)Br)Br D138534 [2,0,0,0,0,0|2,0,0]=4 398 B8R1.4 C1=C(N=C(C=N1)Br)Cl B188248 [2,0,0,0,0,0|2,0,0]=4 399 B8R1.4 C1=C(N=C(C=N1)Cl)Cl D123438 [2,0,0,0,0,0|2,0,0]=4 400 B8R1.4 C1=C(N=C(C=N1)Cl)N A123436 [2,0,0,0,0,0|2,0,0]=4 401 B8R1.4 C1=C(N=C(C=N1)I)I D185351 [2,0,0,0,0,0|2,0,0]=4 402 B8R1.4 CC1=CC(=CC=C1)C X103345 [2,0,0,0,0,0|2,0,0]=4 403 B8R1.4 CC1=CC(=CC=C1)C X103348 [2,0,0,0,0,0|2,0,0]=4 404 B8R1.4 CC1=CC(=CC=C1)C X103350 [2,0,0,0,0,0|2,0,0]=4 405 B8R1.4 CC1=CC(=CC=C1)C X119707 [2,0,0,0,0,0|2,0,0]=4 406 B8R1.4 CC1=CC(=CN=C1)Br B120789 [2,0,0,0,0,0|2,0,0]=4 407 B8R1.4 CC1=CC(=CN=C1)C L106291 [2,0,0,0,0,0|1,0,0]=3 408 B8R1.4 CC1=CC(=CN=C1)Cl C191816 [2,0,0,0,0,0|2,0,0]=4 409 B8R1.4 CC1=CC(=CN=C1)F F184385 [2,0,0,0,0,0|2,0,0]=4 410 B8R1.4 CC1=CC(=CN=C1)N A134931 [2,0,0,0,0,0|2,0,0]=4 411 B8R1.4 CC1=CC(=CN=C1)O H129072 [2,0,0,0,0,0|2,0,0]=4 412 B8R1.4 CC1=CC(=C[C-]=C1)C D140723 [2,0,0,0,0,0|2,0,0]=4 413 B8R1.4 CC1=CN=CC(=N1)Br B188210 [2,0,0,0,0,0|1,0,0]=3 414 B8R1.4 CC1=CN=CC(=N1)C D154789 [2,0,0,0,0,0|0,0,0]=2 415 B8R1.4 CC1=CN=CC(=N1)Cl C136298 [2,0,0,0,0,0|1,0,0]=3 416 B8R1.4 CC1=CN=CC(=N1)N A185169 [2,0,0,0,0,0|1,0,0]=3 417 B8R1.4 CC1=CN=CC(=O)N1 H111406 [2,0,0,0,0,0|1,0,1]=4 418 B8R1.4 CC1=NC(=CC=C1)Br B101571 [2,0,0,0,0,0|2,0,0]=4 419 B8R1.4 CC1=NC(=CC=C1)C L105811 [2,0,0,0,0,0|1,0,0]=3 420 B8R1.4 CC1=NC(=CC=C1)C L105812 [2,0,0,0,0,0|1,0,0]=3 421 B8R1.4 CC1=NC(=CC=C1)Cl C124344 [2,0,0,0,0,0|2,0,0]=4 422 B8R1.4 CC1=NC(=CC=C1)F F119659 [2,0,0,0,0,0|2,0,0]=4 423 B8R1.4 CC1=NC(=CC=C1)N A107178 [2,0,0,0,0,0|2,0,0]=4 424 B10R1.1 CC1=CC=C(C=C1)CCBr M469504 [1,1,0,0,0,0|2,0,0]=4 425 B10R1.1 CC1=CC=C(C=C1)CCN M493506 [1,1,0,0,0,0|2,0,0]=4 426 B10R1.1 CC1=CC=C(C=C1)CCN P101999 [1,1,0,0,0,0|2,0,0]=4 427 B10R1.1 CC1=CC=C(C=C1)CCO I135268 [1,1,0,0,0,0|2,0,0]=4 428 B10R1.1 CC1=CC=C(C=C1)CNC N300479 [1,1,0,0,0,0|2,0,0]=4 429 B10R1.1 CCCC1=CC=C(C=C1)C P160392 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.1 CCNC1=CC=C(C=C1)C N158982 [1,1,0,0,0,0|2,0,0]=4 431 B10R1.1 CCOC1=NC=C(C=C1)Br B122972 [1,1,0,0,0,0|2,0,0]=4 432 B10R1.1 CCOC1=NC=C(C=C1)Cl C588198 [1,1,0,0,0,0|2,0,0]=4 433 B10R1.3 CCC1=CC=C(C=C1)CC D107652 [1,1,0,0,0,0|2,0,0]=4 434 B10R1.3 CCC1=CC=C(C=C1)CC D107653 [1,1,0,0,0,0|2,0,0]=4 435 B10R1.3 CCC1=CC=C(C=C1)CCl E299918 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.3 CCC1=CC=C(C=C1)CCl E399766 [1,1,0,0,0,0|2,0,0]=4 437 B10R1.3 CCC1=CC=C(C=C1)CO E156110 [1,1,0,0,0,0|2,0,0]=4 438 B10R1.3 CCC1=CC=C(C=C1)OC E137475 [1,1,0,0,0,0|2,0,0]=4 439 B10R1.3 COC1=CN=C(C=C1)CO M190450 [1,1,0,0,0,0|2,0,0]=4 440 B10R1.3 COC1=NC=C(C=C1)CN M177670 [1,1,0,0,0,0|2,0,0]=4 441 B10R1.3 COC1=NC=C(C=C1)CO M176865 [1,1,0,0,0,0|2,0,0]=4 442 B10R1.13 CC(C)C1=NC=C(C=C1)Br B586459 [1,1,0,0,0,0|2,0,0]=4 443 B10R1.13 CC(C)C1=NC=C(C=C1)N P176415 [1,1,0,0,0,0|2,0,0]=4 444 B10R1.13 CC(C1=CN=C(C=C1)Cl)N C489471 [1,1,0,0,0,0|2,0,0]=4 445 B10R1.13 CC(C1=NC=C(C=C1)Br)N B489562 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.13 CC(C1=NC=C(C=C1)Br)N R489263 [1,1,0,0,0,0|2,0,0]=4 447 B10R1.13 CC(C1=NC=C(C=C1)Br)N S489604 [1,1,0,0,0,0|2,0,0]=4 448 B10R1.13 CC1=CC=C(C=C1)C(C)C D102667 [1,1,0,0,0,0|2,0,0]=4 449 B10R1.13 CC1=CC=C(C=C1)C(C)C D118512 [1,1,0,0,0,0|2,0,0]=4 450 B10R1.13 CC1=CC=C(C=C1)C(C)C I105448 [1,1,0,0,0,0|2,0,0]=4 451 B10R1.13 CC1=CC=C(C=C1)C(C)C I105449 [1,1,0,0,0,0|2,0,0]=4 452 B10R1.13 CC1=CC=C(C=C1)C(C)C I105451 [1,1,0,0,0,0|2,0,0]=4 453 B10R1.13 CC1=CC=C(C=C1)C(C)N D113666 [1,1,0,0,0,0|2,0,0]=4 454 B10R1.13 CC1=CC=C(C=C1)C(C)N P160184 [1,1,0,0,0,0|2,0,0]=4 455 B10R1.13 CC1=CC=C(C=C1)C(C)N R160847 [1,1,0,0,0,0|2,0,0]=4 456 B10R1.13 CC1=CC=C(C=C1)C(C)O P160711 [1,1,0,0,0,0|2,0,0]=4 457 B10R1.13 CC1=CCC(=CC1)C(C)C G156812 [1,1,0,0,0,0|2,0,0]=4 458 B10R1.13 CC1=CN=C(C=C1)C(=O)C A185017 [1,1,0,0,0,0|1,0,1]=4 459 B10R1.13 CC1=CN=C(C=N1)C(=O)O M106709 [1,1,0,0,0,0|1,0,1]=4 460 B10R1.13 CC1=NC=C(C=C1)C(=O)C A123439 [1,1,0,0,0,0|1,0,1]=4 461 B10R1.176 CCC1=CN=C(C(=N1)C)C E156377 [1,1,0,0,0,0|0,0,0]=2 462 B10R1.2 CCC1=CC=CC(=C1C)C E156303 [1,1,0,0,0,0|2,0,0]=4 463 B10R1.4 CC1=CC=CC=C1CCBr B587606 [1,1,0,0,0,0|2,0,0]=4 464 B10R1.4 CC1=CC=CC=C1CCO O159910 [1,1,0,0,0,0|2,0,0]=4 465 B10R1.4 CC1=CC=CC=C1CNC B301431 [1,1,0,0,0,0|2,0,0]=4 466 B10R1.4 CCCC1=CC=CC=C1C P160377 [1,1,0,0,0,0|2,0,0]=4 467 B10R1.4 CCNC1=CC=CC=C1C N158979 [1,1,0,0,0,0|2,0,0]=4 468 B10R1.4 CCOC1=C(C=CC=N1)Br B139026 [1,1,0,0,0,0|2,0,0]=4 469 B10R1.4 CCOC1=C(C=CC=N1)Cl C154075 [1,1,0,0,0,0|2,0,0]=4 470 B10R1.4 CCOC1=C(C=CC=N1)I E134848 [1,1,0,0,0,0|2,0,0]=4 471 B10R1.4 CCOC1=NC=CN=C1C E156373 [1,1,0,0,0,0|0,0,0]=2 472 B10R1.20 CCC1=CC=CC=C1CC D108906 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.20 CCC1=CC=CC=C1CC D130062 [1,1,0,0,0,0|2,0,0]=4 474 B10R1.20 CCC1=CC=CC=C1CC D299535 [1,1,0,0,0,0|2,0,0]=4 475 B10R1.20 CCC1=CC=CC=C1CO E337904 [1,1,0,0,0,0|2,0,0]=4 476 B10R1.20 CCC1=CC=CC=C1OC E156216 [1,1,0,0,0,0|2,0,0]=4 477 B10R1.20 CCC1=NC=CN=C1CC D154790 [1,1,0,0,0,0|0,0,0]=2 478 B10R1.20 CCC1=NC=CN=C1OC E474282 [1,1,0,0,0,0|0,0,0]=2 479 B10R1.20 CCC1=NC=CN=C1SC E156375 [1,1,0,0,0,0|0,0,0]=2 480 B10R1.20 CNC1=C(C=CC=N1)CO M183687 [1,1,0,0,0,0|2,0,0]=4 481 B10R1.20 COC1=C(C=CC=N1)CO M172075 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.20 COC1=C(N=CC=C1)OC D133874 [1,1,0,0,0,0|2,0,0]=4 483 B10R1.30 CC1=CN=C(C(=N1)OC)C M302692 [1,1,0,0,0,0|1,0,0]=3 484 B10R1.30 CCC1=C(C=CC(=C1)C)C E404389 [1,1,0,0,0,0|2,0,0]=4 485 B10R1.30 CCC1=C(C=CC(=N1)C)O E134371 [1,1,0,0,0,0|2,0,0]=4 486 B10R1.30 CCC1=C(C=CC(=N1)C)O E404399 [1,1,0,0,0,0|2,0,0]=4 487 B10R1.30 COC1=NC(=CN=C1I)Br B193527 [1,1,0,0,0,0|2,0,0]=4 488 B10R1.30 COC1=NC(=CN=C1N)Br A121884 [1,1,0,0,0,0|2,0,0]=4 489 B10R1.61 CC1=C(N=CC=C1)C(=O)C E491191 [1,1,0,0,0,0|1,0,1]=4 490 B10R1.61 CC1=CC=CC=C1C(C)C O159927 [1,1,0,0,0,0|2,0,0]=4 491 B10R1.61 CC1=CC=CC=C1C(C)C O301082 [1,1,0,0,0,0|2,0,0]=4 492 B10R1.61 CC1=NC=CN=C1C(=O)C A113965 [1,1,0,0,0,0|0,0,1]=3 493 B10R1.245 CC1=NC=CC(=C1OC)Cl C171910 [1,1,0,0,0,0|2,0,0]=4 494 B10R1.22 CC1=CC(=C(C(=C1)C)C)C T162083 [1,1,0,0,0,0|2,0,0]=4 495 B10R1.22 CC1=CC(=C(C(=C1)O)C)C T104238 [1,1,0,0,0,0|2,0,0]=4 496 B10R1.22 CC1=CC(=C(C(=C1)O)C)C T104240 [1,1,0,0,0,0|2,0,0]=4 497 B10R1.118 CC1=C(N=C(C(=N1)C)C)C L117992 [1,1,0,0,0,0|0,0,0]=2 498 B10R1.118 CC1=C(N=C(C(=N1)C)C)C L425881 [1,1,0,0,0,0|0,0,0]=2 499 B10R1.118 CC1=C(N=C(C(=N1)C)C)C T111263 [1,1,0,0,0,0|0,0,0]=2 500 B10R1.118 CC1=C(N=C(C(=N1)C)C)C T420649 [1,1,0,0,0,0|0,0,0]=2 501 B10R1.118 CC1=CC(=C(C=C1C)Br)C B138979 [1,1,0,0,0,0|2,0,0]=4 502 B10R1.118 CC1=CC(=C(C=C1C)C)C T108527 [1,1,0,0,0,0|2,0,0]=4 503 B10R1.118 CC1=CC(=C(C=C1C)N)C T114003 [1,1,0,0,0,0|2,0,0]=4 504 B10R1.118 CC1=CC(=C(C=C1C)N)C T131619 [1,1,0,0,0,0|2,0,0]=4 505 B10R1.118 CC1=CC(=C(C=C1C)O)C T303807 [1,1,0,0,0,0|2,0,0]=4 506 B10R1.118 CC1=CC(=C(N=C1C)N)Br A151747 [1,1,0,0,0,0|2,0,0]=4 507 B10R1.119 CC1=C(C(=C(C=C1)C)C)C T303804 [1,1,0,0,0,0|2,0,0]=4 508 B10R1.119 CC1=C(C(=C(C=C1)C)O)C T162267 [1,1,0,0,0,0|2,0,0]=4 509 B10R1.59 CC(C)C1=CC(=NN1C)N I586709 [0,1,0,0,1,0|2,0,0]=4 510 B10R1.59 CC1=C(SC(=N1)C)C(=O)C A151209 [0,1,0,0,1,0|1,0,1]=4 511 B10R1.59 CC1=CC(=C(O1)C)C(=O)C A151396 [0,1,0,0,1,0|1,0,1]=4 512 B10R1.59 CC1=CC(=C(S1)C)C(=O)C A113373 [0,1,0,0,1,0|1,0,1]=4 513 B10R1.130 CC1=C(SC(=N1)N)CCN A274896 [0,1,0,0,1,0|2,0,0]=4 514 B10R1.94 CC1=C(SC=[N+]1C)CCO H337756 [0,1,0,0,1,0|2,0,0]=4 515 B12R1.46 CC1=CC(=C(N=C1)OC)C(=O)C M166465 [0,2,0,0,0,0|2,0,0]=4 516 B12R1.57 CC1=CC(=C(C=C1)C(C)C)OC I157471 [0,2,0,0,0,0|2,0,0]=4 517 B12R1.78 COC1=C(N=C(C=C1)CO)OC D185425 [0,2,0,0,0,0|2,0,0]=4 518 B12R1.1095 CC1=CC(=C(C(=C1)C)CCO)C M158672 [0,2,0,0,0,0|2,0,0]=4 519 B12R1.654 CC1=CN=C(C(=C1OC)C)CCl C108044 [0,2,0,0,0,0|2,0,0]=4 520 B12R1.654 CC1=CN=C(C(=C1OC)C)CO M102022 [0,2,0,0,0,0|2,0,0]=4 521 B10R2.7 C1CC2=C(C1)N=CC=C2 C101917 [1,0,0,1,0,0|1,0,0]=3 522 B10R2.7 C1CC2=C(C1)N=CC=C2 C616548 [1,0,0,1,0,0|1,0,0]=3 523 B10R2.7 C1CC2=CC=CC=C2C1 I105445 [1,0,0,1,0,0|2,0,0]=4 524 B10R2.7 C1CNC2=C1C=CC=N2 D122895 [1,0,0,1,0,0|2,0,0]=4 525 B10R2.2 C1CC2=NC(=CN2C1)Br B587384 [0,0,0,1,1,0|2,0,0]=4 526 B12R2.24 C1CNCC2=C1N=C(C=C2)Cl C186502 [0,1,0,1,0,0|2,0,0]=4 527 B12R2.24 CC1=CC2=C(C=C1)NCCC2 M158123 [0,1,0,1,0,0|2,0,0]=4 528 B12R2.24 CC1=CC2=C(CCNC2)C=C1 M168479 [0,1,0,1,0,0|2,0,0]=4 529 B12R2.246 CC1=NC2=C(CCC2)C(=N1)Cl C480144 [0,1,0,1,0,0|2,0,0]=4 530 B8R1.1 CC1=CC(=NN1)CO M588591 [1,0,0,0,1,0|2,0,0]=4 531 B8R1.1 CC1=CC(=NO1)CO M136270 [1,0,0,0,1,0|2,0,0]=4 532 B8R1.1 CC1=NOC(=N1)CCl D302540 [1,0,0,0,1,0|2,0,0]=4 533 B8R1.1 CCC1=CC(=NN1)N A587870 [1,0,0,0,1,0|2,0,0]=4 534 B8R1.1 CCC1=NC(=CS1)C E124072 [1,0,0,0,1,0|1,0,0]=3 535 B8R1.1 CCC1=NC(=NN1)N E168786 [1,0,0,0,1,0|2,0,0]=4 536 B8R1.1 CCC1=NC=C(N1)C E104846 [1,0,0,0,1,0|0,0,1]=3 537 B8R1.1 CCN1C=C(C=N1)Br B186185 [1,0,0,0,1,0|2,0,0]=4 538 B8R1.1 CN1C=C(C=N1)CN M172031 [1,0,0,0,1,0|2,0,0]=4 539 B8R1.1 CN1C=C(C=N1)CN M589007 [1,0,0,0,1,0|2,0,0]=4 540 B8R1.1 CN1C=C(C=N1)CO M172072 [1,0,0,0,1,0|2,0,0]=4 541 B8R1.1 CN1C=C(N=C1)CO M305172 [1,0,0,0,1,0|2,0,0]=4 542 B8R1.1 CN1C=NC(=N1)CO M406986 [1,0,0,0,1,0|2,0,0]=4 543 B8R1.11 CC1=C(C=CO1)SC M102940 [1,0,0,0,1,0|2,0,0]=4 544 B8R1.11 CC1=C(N=CN1)CO H136151 [1,0,0,0,1,0|1,0,1]=4 545 B8R1.11 CC1=C(N=CN1)CO H157127 [1,0,0,0,1,0|1,0,1]=4 546 B8R1.11 CCN1C(=CC=N1)N E133315 [1,0,0,0,1,0|2,0,0]=4 547 B8R1.11 CCN1C=CN=C1C E588107 [1,0,0,0,1,0|1,0,0]=3 548 B8R1.11 CN1C=CN=C1CCl C186629 [1,0,0,0,1,0|2,0,0]=4 549 B8R1.11 CN1C=CN=C1CN M586747 [1,0,0,0,1,0|2,0,0]=4 550 B8R1.11 CN1C=CN=C1CO H157128 [1,0,0,0,1,0|2,0,0]=4 551 B8R1.18 CC1=C(OC(=N1)Br)C B586742 [1,0,0,0,1,0|2,0,0]=4 552 B8R1.18 CC1=C(SC(=N1)C)C T161779 [1,0,0,0,1,0|1,0,0]=3 553 B8R1.18 CC1=C(SC(=N1)N)C A122571 [1,0,0,0,1,0|2,0,0]=4 554 B8R1.18 CC1=C(SC(=N1)N)C A151214 [1,0,0,0,1,0|2,0,0]=4 555 B8R1.18 CC1=CC(=C(O1)C)S D103074 [1,0,0,0,1,0|2,0,0]=4 556 B8R1.18 CC1=CC(=C(S1)C)C T162829 [1,0,0,0,1,0|1,0,0]=3 557 B8R1.18 CC1=CC(=NN1C)C T108006 [1,0,0,0,1,0|1,0,0]=3 558 B8R1.18 CC1=CC(=NN1C)N D183931 [1,0,0,0,1,0|2,0,0]=4 559 B8R1.18 CC1=CN(N=C1Br)C B587096 [1,0,0,0,1,0|2,0,0]=4 560 B8R1.18 CC1=NC(=CN1C)Br B186977 [1,0,0,0,1,0|2,0,0]=4 561 B8R1.18 CC1=NN(C(=C1)Br)C B176832 [1,0,0,0,1,0|2,0,0]=4 562 B8R1.18 CC1=NN(C(=C1)N)C W136575 [1,0,0,0,1,0|2,0,0]=4 563 B8R1.18 CC1=NN(C=C1Br)C B176844 [1,0,0,0,1,0|2,0,0]=4 564 B8R1.18 CC1=NN(C=C1Cl)C C480122 [1,0,0,0,1,0|2,0,0]=4 565 B8R1.50 CC1=C(C(=NN1)C)Br B133385 [1,0,0,0,1,0|2,0,0]=4 566 B8R1.50 CC1=C(C(=NN1)C)I D107974 [1,0,0,0,1,0|2,0,0]=4 567 B8R1.50 CC1=C(C(=NO1)C)Br B123097 [1,0,0,0,1,0|2,0,0]=4 568 B8R1.50 CC1=C(C(=NO1)C)I I122966 [1,0,0,0,1,0|2,0,0]=4 569 B8R1.50 CC1=C(C=NN1C)Br B185333 [1,0,0,0,1,0|2,0,0]=4 570 B8R1.50 CC1=C(C=NN1C)N D586661 [1,0,0,0,1,0|2,0,0]=4 571 B8R1.50 CC1=C(ON=C1N)C A132129 [1,0,0,0,1,0|2,0,0]=4 572 B8R1.50 CC1=C(SC=C1Br)C B469047 [1,0,0,0,1,0|2,0,0]=4 573 B8R1.50 CC1=C(SC=[N+]1C)C T282320 [1,0,0,0,1,0|2,0,0]=4 574 B8R1.50 CC1=CC=C(N1C)C T161834 [1,0,0,0,1,0|2,0,0]=4