0 B10R1.1 C1=CC(=CC=C1CC#N)Br B100849 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.1 C1=CC(=CC=C1CC#N)Cl C124714 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.1 C1=CC(=CC=C1CC#N)F F156616 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.1 C1=CC(=CC=C1CC#N)I I170725 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.1 C1=CC(=CC=C1CC#N)N A107271 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.1 C1=CC(=CC=C1CC#N)O H121848 [0,0,0,0,0,0|1,0,1]=2 6 B10R1.1 C1=CC(=CC=C1CCBr)Br B167924 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.1 C1=CC(=CC=C1CCBr)Cl C121844 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.1 C1=CC(=CC=C1CCBr)F F121611 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.1 C1=CC(=CC=C1CCBr)O H167212 [0,0,0,0,0,0|1,0,1]=2 10 B10R1.1 C1=CC(=CC=C1CCCl)F F156671 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.1 C1=CC(=CC=C1CCN)Br B101709 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.1 C1=CC(=CC=C1CCN)Br B494194 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.1 C1=CC(=CC=C1CCN)Br B494196 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.1 C1=CC(=CC=C1CCN)Cl C153968 [0,0,0,0,0,0|2,0,1]=3 15 B10R1.1 C1=CC(=CC=C1CCN)Cl C493551 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.1 C1=CC(=CC=C1CCN)F F131906 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.1 C1=CC(=CC=C1CCN)F F292669 [0,0,0,0,0,0|2,0,1]=3 18 B10R1.1 C1=CC(=CC=C1CCN)F F302836 [0,0,0,0,0,0|2,0,1]=3 19 B10R1.1 C1=CC(=CC=C1CCN)F F493198 [0,0,0,0,0,0|2,0,1]=3 20 B10R1.1 C1=CC(=CC=C1CCN)N A151503 [0,0,0,0,0,0|2,0,1]=3 21 B10R1.1 C1=CC(=CC=C1CCN)O T105543 [0,0,0,0,0,0|1,0,1]=2 22 B10R1.1 C1=CC(=CC=C1CCN)O T107153 [0,0,0,0,0,0|1,0,1]=2 23 B10R1.1 C1=CC(=CC=C1CCN)O T424437 [0,0,0,0,0,0|1,0,1]=2 24 B10R1.1 C1=CC(=CC=C1CCO)Br B153115 [0,0,0,0,0,0|2,0,1]=3 25 B10R1.1 C1=CC(=CC=C1CCO)Cl C121856 [0,0,0,0,0,0|2,0,1]=3 26 B10R1.1 C1=CC(=CC=C1CCO)F F136730 [0,0,0,0,0,0|2,0,1]=3 27 B10R1.1 C1=CC(=CC=C1CCO)N A151120 [0,0,0,0,0,0|2,0,1]=3 28 B10R1.1 C1=CC(=CC=C1CCO)O H106325 [0,0,0,0,0,0|1,0,1]=2 29 B10R1.1 C1=CC(=CC=C1CCO)O H118576 [0,0,0,0,0,0|1,0,1]=2 30 B10R1.1 C1=CC(=CC=C1CCO)O H424324 [0,0,0,0,0,0|1,0,1]=2 31 B10R1.1 C1=CC(=CC=C1CON)F A184897 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.1 C1=CC(=CC=C1N)N=[N+]=[N-] A352348 [0,0,0,0,0,0|4,0,0]=4 33 B10R1.1 C1=CC(=CC=C1N=C=O)Br B120150 [0,0,0,0,0,0|3,0,1]=4 34 B10R1.1 C1=CC(=CC=C1N=C=O)Cl C102129 [0,0,0,0,0,0|3,0,1]=4 35 B10R1.1 C1=CC(=CC=C1N=C=O)F F156778 [0,0,0,0,0,0|3,0,1]=4 36 B10R1.1 C1=CC(=CC=C1N=C=O)I I352477 [0,0,0,0,0,0|3,0,1]=4 37 B10R1.1 C1=CC(=CC=C1N=C=S)Br B140608 [0,0,0,0,0,0|3,0,1]=4 38 B10R1.1 C1=CC(=CC=C1N=C=S)Cl C140606 [0,0,0,0,0,0|3,0,1]=4 39 B10R1.1 C1=CC(=CC=C1N=C=S)F F101902 [0,0,0,0,0,0|3,0,1]=4 40 B10R1.1 C1=CC(=CC=C1N=C=S)I I140607 [0,0,0,0,0,0|3,0,1]=4 41 B10R1.1 C1=CC(=CC=C1NC=O)Br N342559 [0,0,0,0,0,0|3,0,0]=3 42 B10R1.1 C1=CC(=CC=C1NC=O)Cl N159268 [0,0,0,0,0,0|3,0,0]=3 43 B10R1.1 C1=CC(=CC=C1NC=O)F N159255 [0,0,0,0,0,0|3,0,0]=3 44 B10R1.1 C1=CC(=NC=C1Br)CC#N B176084 [0,0,0,0,0,0|3,0,1]=4 45 B10R1.1 C1=CC(=NC=C1CC#N)Br B587268 [0,0,0,0,0,0|3,0,1]=4 46 B10R1.1 C1=CC(=NC=C1CC#N)Cl C138793 [0,0,0,0,0,0|3,0,1]=4 47 B10R1.1 C=CCC1=CC=C(C=C1)O A589273 [0,0,0,0,0,0|0,0,0]=0 48 B10R1.1 CC1=CC=C(C=C1)CC#N P160068 [0,0,0,0,0,0|2,0,1]=3 49 B10R1.1 CC1=CC=C(C=C1)CC=C A169644 [0,0,0,0,0,0|1,0,0]=1 50 B10R1.1 CC1=CC=C(C=C1)CC=O P586228 [0,0,0,0,0,0|2,0,0]=2 51 B10R1.1 CC1=CC=C(C=C1)CCBr M469504 [0,0,0,0,0,0|2,0,1]=3 52 B10R1.1 CC1=CC=C(C=C1)CCN M493506 [0,0,0,0,0,0|2,0,1]=3 53 B10R1.1 CC1=CC=C(C=C1)CCN P101999 [0,0,0,0,0,0|2,0,1]=3 54 B10R1.1 CC1=CC=C(C=C1)CCO I135268 [0,0,0,0,0,0|2,0,1]=3 55 B10R1.1 CC1=CC=C(C=C1)CNC N300479 [0,0,0,0,0,0|2,0,1]=3 56 B10R1.1 CC1=CC=C(C=C1)N=C=O T106835 [0,0,0,0,0,0|3,0,1]=4 57 B10R1.1 CC1=CC=C(C=C1)N=C=S P160464 [0,0,0,0,0,0|3,0,1]=4 58 B10R1.1 CC1=CC=C(C=C1)NC=O M158337 [0,0,0,0,0,0|3,0,0]=3 59 B10R1.1 CCCC1=CC=C(C=C1)Br B101884 [0,0,0,0,0,0|1,0,2]=3 60 B10R1.1 CCCC1=CC=C(C=C1)C P160392 [0,0,0,0,0,0|1,0,2]=3 61 B10R1.1 CCCC1=CC=C(C=C1)Cl C303901 [0,0,0,0,0,0|1,0,2]=3 62 B10R1.1 CCCC1=CC=C(C=C1)N P136525 [0,0,0,0,0,0|1,0,2]=3 63 B10R1.1 CCCC1=CC=C(C=C1)O P136692 [0,0,0,0,0,0|0,0,2]=2 64 B10R1.1 CCNC1=CC=C(C=C1)C N158982 [0,0,0,0,0,0|2,0,2]=4 65 B10R1.1 CCOC1=CC=C(C=C1)Br B113334 [0,0,0,0,0,0|2,0,2]=4 66 B10R1.1 CCOC1=CC=C(C=C1)Cl C304178 [0,0,0,0,0,0|2,0,2]=4 67 B10R1.1 CCOC1=CC=C(C=C1)F F156673 [0,0,0,0,0,0|2,0,2]=4 68 B10R1.1 CCOC1=CC=C(C=C1)I I111883 [0,0,0,0,0,0|2,0,2]=4 69 B10R1.1 CCOC1=CC=C(C=C1)N E108459 [0,0,0,0,0,0|2,0,2]=4 70 B10R1.1 CCOC1=CC=C(C=C1)N P160470 [0,0,0,0,0,0|2,0,2]=4 71 B10R1.1 CCOC1=CC=C(C=C1)O E124314 [0,0,0,0,0,0|1,0,2]=3 72 B10R1.1 CNCC1=CC=C(C=C1)Br B186104 [0,0,0,0,0,0|2,0,1]=3 73 B10R1.1 CNCC1=CC=C(C=C1)Cl C153967 [0,0,0,0,0,0|2,0,1]=3 74 B10R1.1 CNCC1=CC=C(C=C1)F F156709 [0,0,0,0,0,0|2,0,1]=3 75 B10R1.1 COCC1=CC=C(C=C1)Br B181671 [0,0,0,0,0,0|2,0,1]=3 76 B10R1.1 COCC1=CC=C(C=C1)O M170858 [0,0,0,0,0,0|1,0,1]=2 77 B9R1.1 C#CC1=CC=C(C=C1)Br B100857 [1,0,0,0,0,0|1,0,2]=4 78 B9R1.1 C#CC1=CC=C(C=C1)Cl C115544 [1,0,0,0,0,0|1,0,2]=4 79 B9R1.1 C#CC1=CC=C(C=C1)F E115545 [1,0,0,0,0,0|1,0,2]=4 80 B9R1.1 C#CC1=CC=C(C=C1)N E156336 [1,0,0,0,0,0|1,0,2]=4 81 B9R1.1 C1=CC(=CC=C1C#N)Br B152383 [1,0,0,0,0,0|2,0,1]=4 82 B9R1.1 C1=CC(=CC=C1C#N)Cl C105375 [1,0,0,0,0,0|2,0,1]=4 83 B9R1.1 C1=CC(=CC=C1C#N)F F120871 [1,0,0,0,0,0|2,0,1]=4 84 B9R1.1 C1=CC(=CC=C1C#N)I I103578 [1,0,0,0,0,0|2,0,1]=4 85 B9R1.1 C1=CC(=CC=C1C#N)N A107274 [1,0,0,0,0,0|2,0,1]=4 86 B9R1.1 C1=CC(=CC=C1C#N)O H115122 [1,0,0,0,0,0|1,0,1]=3 87 B9R1.1 C1=CC(=CC=C1C#N)O H115123 [1,0,0,0,0,0|1,0,1]=3 88 B9R1.1 C1=CC(=CC=C1C#N)S M184058 [1,0,0,0,0,0|1,1,1]=4 89 B9R1.1 C1=CC(=CC=C1C=O)Br B109177 [1,0,0,0,0,0|2,0,0]=3 90 B9R1.1 C1=CC(=CC=C1C=O)Br B419287 [1,0,0,0,0,0|2,0,0]=3 91 B9R1.1 C1=CC(=CC=C1C=O)Cl C104155 [1,0,0,0,0,0|2,0,0]=3 92 B9R1.1 C1=CC(=CC=C1C=O)F F109178 [1,0,0,0,0,0|2,0,0]=3 93 B9R1.1 C1=CC(=CC=C1C=O)I I138274 [1,0,0,0,0,0|2,0,0]=3 94 B9R1.1 C1=CC(=CC=C1C=O)N A303975 [1,0,0,0,0,0|2,0,0]=3 95 B9R1.1 C1=CC(=CC=C1C=O)N A405596 [1,0,0,0,0,0|2,0,0]=3 96 B9R1.1 C1=CC(=CC=C1C=O)O H100420 [1,0,0,0,0,0|1,0,0]=2 97 B9R1.1 C1=CC(=CC=C1C=O)O H100421 [1,0,0,0,0,0|1,0,0]=2 98 B9R1.1 C1=CC(=CC=C1C=O)O H431620 [1,0,0,0,0,0|1,0,0]=2 99 B9R1.1 C1=CC(=CC=C1CBr)Br B171105 [1,0,0,0,0,0|2,0,0]=3 100 B9R1.1 C1=CC(=CC=C1CBr)Cl C135867 [1,0,0,0,0,0|2,0,0]=3 101 B9R1.1 C1=CC(=CC=C1CBr)F F120595 [1,0,0,0,0,0|2,0,0]=3 102 B9R1.1 C1=CC(=CC=C1CBr)I I122909 [1,0,0,0,0,0|2,0,0]=3 103 B9R1.1 C1=CC(=CC=C1CCl)Br B113785 [1,0,0,0,0,0|2,0,0]=3 104 B9R1.1 C1=CC(=CC=C1CCl)Cl C106513 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.1 C1=CC(=CC=C1CCl)F F100905 [1,0,0,0,0,0|2,0,0]=3 106 B9R1.1 C1=CC(=CC=C1CN)Br B133133 [1,0,0,0,0,0|2,0,0]=3 107 B9R1.1 C1=CC(=CC=C1CN)Br B136595 [1,0,0,0,0,0|2,0,0]=3 108 B9R1.1 C1=CC(=CC=C1CN)Cl C117222 [1,0,0,0,0,0|2,0,0]=3 109 B9R1.1 C1=CC(=CC=C1CN)Cl C493514 [1,0,0,0,0,0|2,0,0]=3 110 B9R1.1 C1=CC(=CC=C1CN)F F111212 [1,0,0,0,0,0|2,0,0]=3 111 B9R1.1 C1=CC(=CC=C1CN)F F292633 [1,0,0,0,0,0|2,0,0]=3 112 B9R1.1 C1=CC(=CC=C1CN)F F292646 [1,0,0,0,0,0|2,0,0]=3 113 B9R1.1 C1=CC(=CC=C1CN)F F404486 [1,0,0,0,0,0|2,0,0]=3 114 B9R1.1 C1=CC(=CC=C1CN)I I171122 [1,0,0,0,0,0|2,0,0]=3 115 B9R1.1 C1=CC(=CC=C1CN)N A151636 [1,0,0,0,0,0|2,0,0]=3 116 B9R1.1 C1=CC(=CC=C1CN)N A193875 [1,0,0,0,0,0|2,0,0]=3 117 B9R1.1 C1=CC(=CC=C1CN)O A139192 [1,0,0,0,0,0|1,0,0]=2 118 B9R1.1 C1=CC(=CC=C1CN)O A187992 [1,0,0,0,0,0|1,0,0]=2 119 B9R1.1 C1=CC(=CC=C1CO)Br B139372 [1,0,0,0,0,0|2,0,0]=3 120 B9R1.1 C1=CC(=CC=C1CO)Cl C109479 [1,0,0,0,0,0|2,0,0]=3 121 B9R1.1 C1=CC(=CC=C1CO)F F156598 [1,0,0,0,0,0|2,0,0]=3 122 B9R1.1 C1=CC(=CC=C1CO)I I138398 [1,0,0,0,0,0|2,0,0]=3 123 B9R1.1 C1=CC(=CC=C1CO)N A107272 [1,0,0,0,0,0|2,0,0]=3 124 B9R1.1 C1=CC(=CC=C1CO)O H107912 [1,0,0,0,0,0|1,0,0]=2 125 B9R1.1 C1=CC(=CC=C1CS)Br B101799 [1,0,0,0,0,0|2,0,0]=3 126 B9R1.1 C1=CC(=CC=C1CS)Cl C101789 [1,0,0,0,0,0|2,0,0]=3 127 B9R1.1 C1=CC(=CC=C1CS)F F101796 [1,0,0,0,0,0|2,0,0]=3 128 B9R1.1 C1=CC(=CC=C1N=O)O N159523 [1,0,0,0,0,0|2,0,0]=3 129 B9R1.1 C1=CC(=CC=C1NN)Br B109685 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.1 C1=CC(=CC=C1NN)Br B141295 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.1 C1=CC(=CC=C1NN)Br B185411 [1,0,0,0,0,0|3,0,0]=4 132 B9R1.1 C1=CC(=CC=C1NN)Br B193346 [1,0,0,0,0,0|3,0,0]=4 133 B9R1.1 C1=CC(=CC=C1NN)Cl C110269 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.1 C1=CC(=CC=C1NN)Cl C153656 [1,0,0,0,0,0|3,0,0]=4 135 B9R1.1 C1=CC(=CC=C1NN)F F110267 [1,0,0,0,0,0|3,0,0]=4 136 B9R1.1 C1=CC(=CC=C1NN)I I166921 [1,0,0,0,0,0|3,0,0]=4 137 B9R1.1 C1=CC(=CC=C1NN)I I194278 [1,0,0,0,0,0|3,0,0]=4 138 B9R1.1 C1=CC(=CC=C1[N+]#N)Br B152895 [1,0,0,0,0,0|3,0,0]=4 139 B9R1.1 C1=CC(=NC=C1Br)C=O B119147 [1,0,0,0,0,0|3,0,0]=4 140 B9R1.1 C1=CC(=NC=C1Br)CN B182096 [1,0,0,0,0,0|3,0,0]=4 141 B9R1.1 C1=CC(=NC=C1Br)CO B121986 [1,0,0,0,0,0|3,0,0]=4 142 B9R1.1 C1=CC(=NC=C1C=O)Br B115763 [1,0,0,0,0,0|3,0,0]=4 143 B9R1.1 C1=CC(=NC=C1C=O)Cl C122666 [1,0,0,0,0,0|3,0,0]=4 144 B9R1.1 C1=CC(=NC=C1C=O)F F185975 [1,0,0,0,0,0|3,0,0]=4 145 B9R1.1 C1=CC(=NC=C1C=O)N A177224 [1,0,0,0,0,0|3,0,0]=4 146 B9R1.1 C1=CC(=NC=C1CBr)Cl B182268 [1,0,0,0,0,0|3,0,0]=4 147 B9R1.1 C1=CC(=NC=C1CCl)Cl C106558 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.1 C1=CC(=NC=C1CN)Cl A113916 [1,0,0,0,0,0|3,0,0]=4 149 B9R1.1 C1=CC(=NC=C1CO)Br B123090 [1,0,0,0,0,0|3,0,0]=4 150 B9R1.1 C1=CC(=NC=C1CO)Cl C154056 [1,0,0,0,0,0|3,0,0]=4 151 B9R1.1 C1=CC(=NC=C1CO)F F184294 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.1 C1=CC(=NC=C1CO)N A136079 [1,0,0,0,0,0|3,0,0]=4 153 B9R1.1 C1=CC(=NC=C1Cl)C=O C154077 [1,0,0,0,0,0|3,0,0]=4 154 B9R1.1 C1=CC(=NC=C1F)CN A589490 [1,0,0,0,0,0|3,0,0]=4 155 B9R1.1 C1=CC(=NC=C1F)CO F177498 [1,0,0,0,0,0|3,0,0]=4 156 B9R1.1 C1=CC(=NC=C1O)C#N H177767 [1,0,0,0,0,0|2,0,1]=4 157 B9R1.1 C1=CC(=NC=C1O)C=O H192663 [1,0,0,0,0,0|2,0,0]=3 158 B9R1.1 C1=CC(=O)NC=C1C=O H179130 [1,0,0,0,0,0|2,0,1]=4 159 B9R1.1 C1=C[N+](=CC=C1CO)[O-] P168730 [1,0,0,0,0,0|2,0,1]=4 160 B9R1.1 C=CC1=CC=C(C=C1)Br B102167 [1,0,0,0,0,0|1,0,0]=2 161 B9R1.1 C=CC1=CC=C(C=C1)Cl C121719 [1,0,0,0,0,0|1,0,0]=2 162 B9R1.1 C=CC1=CC=C(C=C1)F F107117 [1,0,0,0,0,0|1,0,0]=2 163 B9R1.1 C=CC1=CC=C(C=C1)F F407667 [1,0,0,0,0,0|1,0,0]=2 164 B9R1.1 C=CC1=CC=C(C=C1)N A151485 [1,0,0,0,0,0|1,0,0]=2 165 B9R1.1 C=CC1=CC=C(C=C1)O H189096 [1,0,0,0,0,0|0,0,0]=1 166 B9R1.1 CC1=CC=C(C=C1)C#C E106375 [1,0,0,0,0,0|1,0,2]=4 167 B9R1.1 CC1=CC=C(C=C1)C#N P160229 [1,0,0,0,0,0|2,0,1]=4 168 B9R1.1 CC1=CC=C(C=C1)C=C M158348 [1,0,0,0,0,0|1,0,0]=2 169 B9R1.1 CC1=CC=C(C=C1)C=O M105910 [1,0,0,0,0,0|2,0,0]=3 170 B9R1.1 CC1=CC=C(C=C1)CBr M109534 [1,0,0,0,0,0|2,0,0]=3 171 B9R1.1 CC1=CC=C(C=C1)CCl A101683 [1,0,0,0,0,0|2,0,0]=3 172 B9R1.1 CC1=CC=C(C=C1)CCl A164460 [1,0,0,0,0,0|2,0,0]=3 173 B9R1.1 CC1=CC=C(C=C1)CN M158669 [1,0,0,0,0,0|2,0,0]=3 174 B9R1.1 CC1=CC=C(C=C1)CO M113648 [1,0,0,0,0,0|2,0,0]=3 175 B9R1.1 CC1=CC=C(C=C1)CS M113646 [1,0,0,0,0,0|2,0,0]=3 176 B9R1.1 CC1=CC=C(C=C1)NC N159024 [1,0,0,0,0,0|2,0,1]=4 177 B9R1.1 CC1=CC=C(C=C1)NN T109603 [1,0,0,0,0,0|3,0,0]=4 178 B9R1.1 CC1=CC=C(C=C1)OC M106728 [1,0,0,0,0,0|2,0,1]=4 179 B9R1.1 CC1=CC=C(C=C1)SC M101848 [1,0,0,0,0,0|2,0,1]=4 180 B9R1.1 CC1=CN=C(C=C1)C=O M170606 [1,0,0,0,0,0|3,0,0]=4 181 B9R1.1 CC1=CN=C(C=C1)CN M589171 [1,0,0,0,0,0|3,0,0]=4 182 B9R1.1 CC1=NC=C(C=C1)C=O W134999 [1,0,0,0,0,0|3,0,0]=4 183 B9R1.1 CC1=NC=C(C=C1)CO W136158 [1,0,0,0,0,0|3,0,0]=4 184 B9R1.1 CCC1=CC=C(C=C1)Br B101890 [1,0,0,0,0,0|1,0,1]=3 185 B9R1.1 CCC1=CC=C(C=C1)Br B141181 [1,0,0,0,0,0|1,0,1]=3 186 B9R1.1 CCC1=CC=C(C=C1)C E123489 [1,0,0,0,0,0|1,0,1]=3 187 B9R1.1 CCC1=CC=C(C=C1)Cl C171229 [1,0,0,0,0,0|1,0,1]=3 188 B9R1.1 CCC1=CC=C(C=C1)I E189089 [1,0,0,0,0,0|1,0,1]=3 189 B9R1.1 CCC1=CC=C(C=C1)N E102230 [1,0,0,0,0,0|1,0,1]=3 190 B9R1.1 CCC1=CC=C(C=C1)O E115497 [1,0,0,0,0,0|0,0,1]=2 191 B9R1.1 CCC1=CC=C(C=C1)S E156190 [1,0,0,0,0,0|0,1,1]=3 192 B9R1.1 CCC1=CN=C(C=C1)C E101695 [1,0,0,0,0,0|2,0,1]=4 193 B9R1.1 CCC1=CN=C(C=C1)N E587963 [1,0,0,0,0,0|2,0,1]=4 194 B9R1.1 CC[N+]1=CC=C(C=C1)C E303436 [1,0,0,0,0,0|2,0,1]=4 195 B9R1.1 CNC1=CC=C(C=C1)Br B304406 [1,0,0,0,0,0|2,0,1]=4 196 B9R1.1 CNC1=CC=C(C=C1)Cl C139458 [1,0,0,0,0,0|2,0,1]=4 197 B9R1.1 CNC1=CC=C(C=C1)F F170454 [1,0,0,0,0,0|2,0,1]=4 198 B9R1.1 CNC1=CC=C(C=C1)N N589686 [1,0,0,0,0,0|2,0,1]=4 199 B9R1.1 COC1=CC=C(C=C1)Br B108656 [1,0,0,0,0,0|2,0,1]=4 200 B9R1.1 COC1=CC=C(C=C1)Cl C113571 [1,0,0,0,0,0|2,0,1]=4 201 B9R1.1 COC1=CC=C(C=C1)F F123675 [1,0,0,0,0,0|2,0,1]=4 202 B9R1.1 COC1=CC=C(C=C1)I I107035 [1,0,0,0,0,0|2,0,1]=4 203 B9R1.1 COC1=CC=C(C=C1)I L359048 [1,0,0,0,0,0|2,0,1]=4 204 B9R1.1 COC1=CC=C(C=C1)N A106071 [1,0,0,0,0,0|2,0,1]=4 205 B9R1.1 COC1=CC=C(C=C1)N A615348 [1,0,0,0,0,0|2,0,1]=4 206 B9R1.1 COC1=CC=C(C=C1)N P160121 [1,0,0,0,0,0|2,0,1]=4 207 B9R1.1 COC1=CC=C(C=C1)O M104222 [1,0,0,0,0,0|1,0,1]=3 208 B9R1.1 COC1=CC=C(C=C1)S M101780 [1,0,0,0,0,0|1,1,1]=4 209 B9R1.1 COC1=CC=C(O)C=C1 M408201 [1,0,0,0,0,0|1,0,1]=3 210 B9R1.1 COC1=NC=C(C=C1)O H184927 [1,0,0,0,0,0|2,0,1]=4 211 B9R1.1 CSC1=CC=C(C=C1)Br B101844 [1,0,0,0,0,0|2,0,1]=4 212 B9R1.1 CSC1=CC=C(C=C1)Cl C101840 [1,0,0,0,0,0|2,0,1]=4 213 B9R1.1 CSC1=CC=C(C=C1)F F101837 [1,0,0,0,0,0|2,0,1]=4 214 B9R1.1 CSC1=CC=C(C=C1)N M101835 [1,0,0,0,0,0|2,0,1]=4 215 B9R1.1 CSC1=CC=C(C=C1)O M100813 [1,0,0,0,0,0|1,0,1]=3 216 B9R1.1 CSC1=CC=C(C=C1)S M101782 [1,0,0,0,0,0|1,1,1]=4 217 B9R1.1 [C-]#[N+]C1=CC=C(C=C1)Br B303469 [1,0,0,0,0,0|2,0,1]=4 218 B9R1.1 [C-]#[N+]C1=CC=C(C=C1)F F300626 [1,0,0,0,0,0|2,0,1]=4 219 B9R1.8 C1=CC(=CN=C1)CC#N P137656 [1,0,0,0,0,0|2,0,1]=4 220 B9R1.8 C1=CC(=CN=C1)CCN A151786 [1,0,0,0,0,0|2,0,1]=4 221 B9R1.8 C1=CC(=CN=C1)CCN A169450 [1,0,0,0,0,0|2,0,1]=4 222 B9R1.8 C1=CC=C(C=C1)C#CBr B464040 [1,0,0,0,0,0|1,0,2]=4 223 B9R1.8 C1=CC=C(C=C1)C#CCl C464026 [1,0,0,0,0,0|1,0,2]=4 224 B9R1.8 C1=CC=C(C=C1)C=CBr B152003 [1,0,0,0,0,0|1,0,1]=3 225 B9R1.8 C1=CC=C(C=C1)C=NN B589372 [1,0,0,0,0,0|2,0,1]=4 226 B9R1.8 C1=CC=C(C=C1)C=NO T135657 [1,0,0,0,0,0|2,0,1]=4 227 B9R1.8 C1=CC=C(C=C1)CC=O P105078 [1,0,0,0,0,0|1,0,0]=2 228 B9R1.8 C1=CC=C(C=C1)CC=O P105080 [1,0,0,0,0,0|1,0,0]=2 229 B9R1.8 C1=CC=C(C=C1)CC=O P420978 [1,0,0,0,0,0|1,0,0]=2 230 B9R1.8 C1=CC=C(C=C1)CCBr B106895 [1,0,0,0,0,0|1,0,1]=3 231 B9R1.8 C1=CC=C(C=C1)CCCl C136679 [1,0,0,0,0,0|1,0,1]=3 232 B9R1.8 C1=CC=C(C=C1)CCI I138375 [1,0,0,0,0,0|1,0,1]=3 233 B9R1.8 C1=CC=C(C=C1)CCN P105641 [1,0,0,0,0,0|1,0,1]=3 234 B9R1.8 C1=CC=C(C=C1)CCN P160641 [1,0,0,0,0,0|1,0,1]=3 235 B9R1.8 C1=CC=C(C=C1)CCN P290339 [1,0,0,0,0,0|1,0,1]=3 236 B9R1.8 C1=CC=C(C=C1)CCN P408003 [1,0,0,0,0,0|1,0,1]=3 237 B9R1.8 C1=CC=C(C=C1)CCN P421867 [1,0,0,0,0,0|1,0,1]=3 238 B9R1.8 C1=CC=C(C=C1)CCN P425250 [1,0,0,0,0,0|1,0,1]=3 239 B9R1.8 C1=CC=C(C=C1)CCN P491880 [1,0,0,0,0,0|1,0,1]=3 240 B9R1.8 C1=CC=C(C=C1)CCN P493037 [1,0,0,0,0,0|1,0,1]=3 241 B9R1.8 C1=CC=C(C=C1)CCN P493125 [1,0,0,0,0,0|1,0,1]=3 242 B9R1.8 C1=CC=C(C=C1)CCO P108195 [1,0,0,0,0,0|1,0,1]=3 243 B9R1.8 C1=CC=C(C=C1)CCO P108197 [1,0,0,0,0,0|1,0,1]=3 244 B9R1.8 C1=CC=C(C=C1)CCO P424995 [1,0,0,0,0,0|1,0,1]=3 245 B9R1.8 C1=CC=C(C=C1)CCS P160530 [1,0,0,0,0,0|1,0,1]=3 246 B9R1.8 C1=CC=C(C=C1)CNN B122576 [1,0,0,0,0,0|2,0,0]=3 247 B9R1.8 C1=CC=C(C=C1)CNN B137990 [1,0,0,0,0,0|2,0,0]=3 248 B9R1.8 C1=CC=C(C=C1)CNN B464175 [1,0,0,0,0,0|2,0,0]=3 249 B9R1.8 C1=CC=C(C=C1)CNO I137166 [1,0,0,0,0,0|2,0,0]=3 250 B9R1.8 C1=CC=C(C=C1)CON O159948 [1,0,0,0,0,0|2,0,0]=3 251 B9R1.8 C1=CC=C(C=C1)CON O189173 [1,0,0,0,0,0|2,0,0]=3 252 B9R1.8 C1=CC=C(C=C1)N=C=O P304914 [1,0,0,0,0,0|2,0,1]=4 253 B9R1.8 C1=CC=C(C=C1)N=C=S P110634 [1,0,0,0,0,0|2,0,1]=4 254 B9R1.8 C1=CC=C(C=C1)N=C=S P110635 [1,0,0,0,0,0|2,0,1]=4 255 B9R1.8 C1=CC=C(C=C1)N=C=S P110636 [1,0,0,0,0,0|2,0,1]=4 256 B9R1.8 C1=CC=C(C=C1)N=S=O N159148 [1,0,0,0,0,0|3,0,0]=4 257 B9R1.8 C1=CC=C(C=C1)N=[N+]=[N-] A462925 [1,0,0,0,0,0|3,0,0]=4 258 B9R1.8 C1=CC=C(C=C1)NC=O F112354 [1,0,0,0,0,0|2,0,0]=3 259 B9R1.8 C1=CC=C(C=C1)OC=O P305264 [1,0,0,0,0,0|2,0,0]=3 260 B9R1.8 C1=CC=C(C=C1)SCCl C101827 [1,0,0,0,0,0|2,0,1]=4 261 B9R1.8 C1=CC=C(C=C1)[Se]C#N P168654 [1,0,0,0,0,0|2,0,1]=4 262 B9R1.8 C1=CC=NC(=C1)CC#N P160781 [1,0,0,0,0,0|2,0,1]=4 263 B9R1.8 C1=CC=NC(=C1)CCBr B186289 [1,0,0,0,0,0|2,0,1]=4 264 B9R1.8 C1=CC=NC(=C1)CCN A151790 [1,0,0,0,0,0|2,0,1]=4 265 B9R1.8 C1=CC=NC(=C1)CCO P160791 [1,0,0,0,0,0|2,0,1]=4 266 B9R1.8 C1=CC=[N+](C=C1)CC#N C154126 [1,0,0,0,0,0|2,0,1]=4 267 B9R1.8 C1=CN=CC=C1CC#N D302357 [1,0,0,0,0,0|2,0,1]=4 268 B9R1.8 C1=CN=CC=C1CC#N P304979 [1,0,0,0,0,0|2,0,1]=4 269 B9R1.8 C1=CN=CC=C1CCN A109738 [1,0,0,0,0,0|2,0,1]=4 270 B9R1.8 C1=CN=CC=C1CCS P134707 [1,0,0,0,0,0|2,0,1]=4 271 B9R1.8 C1=CN=CC=C1CCS P478833 [1,0,0,0,0,0|2,0,1]=4 272 B9R1.8 C=CCC1=CC=CC=C1 A101037 [1,0,0,0,0,0|0,0,0]=1 273 B9R1.8 C=CSC1=CC=CC=C1 P101810 [1,0,0,0,0,0|1,0,0]=2 274 B9R1.8 C=C[CH-]C1=CC=CC=C1 P129181 [1,0,0,0,0,0|0,0,1]=2 275 B9R1.8 CC#CC1=CC=CC=C1 P141240 [1,0,0,0,0,0|0,0,3]=4 276 B9R1.8 CC=CC1=CC=CC=C1 C153576 [1,0,0,0,0,0|0,0,2]=3 277 B9R1.8 CC=CC1=CC=CC=C1 M136687 [1,0,0,0,0,0|0,0,2]=3 278 B9R1.8 CC=CC1=CC=CC=C1 T134052 [1,0,0,0,0,0|0,0,2]=3 279 B9R1.8 CC=CC1=CC=CC=C1 T301941 [1,0,0,0,0,0|0,0,2]=3 280 B9R1.8 CCCC1=CC=CC=C1 P104621 [1,0,0,0,0,0|0,0,2]=3 281 B9R1.8 CCCC1=CC=CC=C1 P104624 [1,0,0,0,0,0|0,0,2]=3 282 B9R1.8 CCCC1=CC=CC=C1 P104625 [1,0,0,0,0,0|0,0,2]=3 283 B9R1.8 CCCC1=CC=CC=C1 P104626 [1,0,0,0,0,0|0,0,2]=3 284 B9R1.8 CCCC1=CC=CC=C1 P128158 [1,0,0,0,0,0|0,0,2]=3 285 B9R1.8 CCCC1=CC=CC=N1 P160637 [1,0,0,0,0,0|1,0,2]=4 286 B9R1.8 CCCC1=CC=NC=C1 P160632 [1,0,0,0,0,0|1,0,2]=4 287 B9R1.8 CCC[N+]1=CC=CC=C1 P404861 [1,0,0,0,0,0|1,0,2]=4 288 B9R1.8 CCNC1=CC=CC=C1 E103974 [1,0,0,0,0,0|1,0,2]=4 289 B9R1.8 CCOC1=CC=CC=C1 E108654 [1,0,0,0,0,0|1,0,2]=4 290 B9R1.8 CCOC1=CC=CC=C1 E108655 [1,0,0,0,0,0|1,0,2]=4 291 B9R1.8 CCSC1=CC=CC=C1 E101809 [1,0,0,0,0,0|1,0,2]=4 292 B9R1.8 CNCC1=CC=CC=C1 B106919 [1,0,0,0,0,0|1,0,1]=3 293 B9R1.8 CNCC1=CC=CC=N1 M168526 [1,0,0,0,0,0|2,0,1]=4 294 B9R1.8 CNCC1=CN=CC=C1 M138441 [1,0,0,0,0,0|2,0,1]=4 295 B9R1.8 COCC1=CC=CC=C1 B103161 [1,0,0,0,0,0|1,0,1]=3 296 B9R1.8 COCC1=CC=CC=C1 B591251 [1,0,0,0,0,0|1,0,1]=3 297 B9R1.8 CSCC1=CC=CC=C1 B152510 [1,0,0,0,0,0|1,0,1]=3 298 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 B153177 [1,0,0,0,0,0|1,0,1]=3 299 B11R1.1 C#CCOC1=CC=C(C=C1)N P160192 [0,1,0,0,0,0|1,0,2]=4 300 B11R1.1 C1=CC(=CC=C1C=CC=O)Br T102188 [0,1,0,0,0,0|1,0,1]=3 301 B11R1.1 C1=CC(=CC=C1C=CC=O)Cl E193580 [0,1,0,0,0,0|1,0,1]=3 302 B11R1.1 C1=CC(=CC=C1C=CC=O)F F156576 [0,1,0,0,0,0|1,0,1]=3 303 B11R1.1 C1=CC(=CC=C1CCCN)Cl C191754 [0,1,0,0,0,0|1,0,2]=4 304 B11R1.1 C1=CC(=CC=C1CCCO)Br B135402 [0,1,0,0,0,0|1,0,2]=4 305 B11R1.1 C1=CC(=CC=C1CCCO)Cl C405534 [0,1,0,0,0,0|1,0,2]=4 306 B11R1.1 C1=CC(=CC=C1CCCO)O W132591 [0,1,0,0,0,0|0,0,2]=3 307 B11R1.1 C1=CC(=CC=C1CN=C=O)Br B352069 [0,1,0,0,0,0|2,0,1]=4 308 B11R1.1 C1=CC(=CC=C1OCC#N)Br B170103 [0,1,0,0,0,0|2,0,1]=4 309 B11R1.1 C1=CC(=CC=C1OCC#N)Cl C169895 [0,1,0,0,0,0|2,0,1]=4 310 B11R1.1 C1=CC(=CC=C1OCCBr)Cl B152802 [0,1,0,0,0,0|2,0,1]=4 311 B11R1.1 C1=CC(=CC=C1OCCBr)F F136245 [0,1,0,0,0,0|2,0,1]=4 312 B11R1.1 C1=CC(=CC=C1OCCO)Br B140261 [0,1,0,0,0,0|2,0,1]=4 313 B11R1.1 C1=CC(=CC=C1OCCO)Cl C140392 [0,1,0,0,0,0|2,0,1]=4 314 B11R1.1 CC1=CC=C(C=C1)C=CC=O E589502 [0,1,0,0,0,0|1,0,1]=3 315 B11R1.1 CC1=CC=C(C=C1)OCC#N P169700 [0,1,0,0,0,0|2,0,1]=4 316 B11R1.1 CC1=CC=C(C=C1)OCC=C A151094 [0,1,0,0,0,0|1,0,0]=2 317 B11R1.1 CC1=CC=C(C=C1)OCCO E140276 [0,1,0,0,0,0|2,0,1]=4 318 B11R1.1 CCCCC1=CC=C(C=C1)Br B115516 [0,1,0,0,0,0|1,0,2]=4 319 B11R1.1 CCCCC1=CC=C(C=C1)Cl B167540 [0,1,0,0,0,0|1,0,2]=4 320 B11R1.1 CCCCC1=CC=C(C=C1)I B124312 [0,1,0,0,0,0|1,0,2]=4 321 B11R1.1 CCCCC1=CC=C(C=C1)N B100731 [0,1,0,0,0,0|1,0,2]=4 322 B11R1.1 CCCCC1=CC=C(C=C1)O B152848 [0,1,0,0,0,0|0,0,2]=3 323 B11R1.1 CCCOC1=CC=C(C=C1)Br B138795 [0,1,0,0,0,0|1,0,2]=4 324 B11R1.1 CCCOC1=CC=C(C=C1)N P420032 [0,1,0,0,0,0|1,0,2]=4 325 B11R1.1 CCCOC1=CC=C(C=C1)O P132532 [0,1,0,0,0,0|0,0,2]=3 326 B11R1.1 CCOCC1=CC=C(C=C1)O E194029 [0,1,0,0,0,0|0,0,2]=3 327 B11R1.1 COCCC1=CC=C(C=C1)O M136398 [0,1,0,0,0,0|0,0,2]=3 328 B11R1.20 C1=CC(=CC=C1C=C(Br)Br)Br B587080 [0,1,0,0,0,0|2,0,1]=4 329 B11R1.20 C1=CC(=CC=C1CC(=O)Cl)Cl C153891 [0,1,0,0,0,0|2,0,0]=3 330 B11R1.20 C1=CC(=CC=C1CC(=O)Cl)F F469238 [0,1,0,0,0,0|2,0,0]=3 331 B11R1.20 C1=CC(=CC=C1CC(=O)N)O H117443 [0,1,0,0,0,0|1,0,0]=2 332 B11R1.20 C1=CC(=CC=C1CC(=O)O)Br B101317 [0,1,0,0,0,0|2,0,0]=3 333 B11R1.20 C1=CC(=CC=C1CC(=O)O)Cl C103600 [0,1,0,0,0,0|2,0,0]=3 334 B11R1.20 C1=CC(=CC=C1CC(=O)O)F F115807 [0,1,0,0,0,0|2,0,0]=3 335 B11R1.20 C1=CC(=CC=C1CC(=O)O)I I132292 [0,1,0,0,0,0|2,0,0]=3 336 B11R1.20 C1=CC(=CC=C1CC(=O)O)N A110093 [0,1,0,0,0,0|2,0,0]=3 337 B11R1.20 C1=CC(=CC=C1CC(=O)O)O H103972 [0,1,0,0,0,0|1,0,0]=2 338 B11R1.20 C1=CC(=CC=C1CC(=O)O)O H421869 [0,1,0,0,0,0|1,0,0]=2 339 B11R1.20 C1=CC(=CC=C1CC(=O)O)S M471020 [0,1,0,0,0,0|1,1,0]=3 340 B11R1.20 C1=CC(=CC=C1N=C(N)N)Cl C287739 [0,1,0,0,0,0|3,0,0]=4 341 B11R1.20 C1=CC(=CC=C1NC(=O)N)Br B152706 [0,1,0,0,0,0|3,0,0]=4 342 B11R1.20 C1=CC(=CC=C1NC(=O)N)Cl C167191 [0,1,0,0,0,0|3,0,0]=4 343 B11R1.20 C1=CC(=CC=C1NC(=O)N)F F156722 [0,1,0,0,0,0|3,0,0]=4 344 B11R1.20 C1=CC(=CC=C1NC(=S)N)Br B152322 [0,1,0,0,0,0|3,0,0]=4 345 B11R1.20 C1=CC(=CC=C1NC(=S)N)Cl C153740 [0,1,0,0,0,0|3,0,0]=4 346 B11R1.20 C1=CC(=CC=C1NC(=S)N)F F101904 [0,1,0,0,0,0|3,0,0]=4 347 B11R1.20 C1=CC(=CC=C1OC(=O)Cl)Cl C139256 [0,1,0,0,0,0|3,0,0]=4 348 B11R1.20 C1=CC(=CC=C1OC(=O)Cl)F F193118 [0,1,0,0,0,0|3,0,0]=4 349 B11R1.20 C1=CC(=CC=C1OC(=S)Cl)Cl C405485 [0,1,0,0,0,0|3,0,0]=4 350 B11R1.20 C1=CC(=CC=C1OC(=S)Cl)F F140421 [0,1,0,0,0,0|3,0,0]=4 351 B11R1.20 C1=CC(=NC=C1Br)CC(=O)O B168241 [0,1,0,0,0,0|3,0,0]=4 352 B11R1.20 C1=CC(=NC=C1CC(=O)O)Cl C134957 [0,1,0,0,0,0|3,0,0]=4 353 B11R1.20 CC(=O)CC1=CC=C(C=C1)Br B133524 [0,1,0,0,0,0|1,0,1]=3 354 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl C136193 [0,1,0,0,0,0|1,0,1]=3 355 B11R1.20 CC(=O)CC1=CC=C(C=C1)F F123996 [0,1,0,0,0,0|1,0,1]=3 356 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br B152718 [0,1,0,0,0,0|2,0,1]=4 357 B11R1.20 CC(=O)NC1=CC=C(C=C1)Cl C105638 [0,1,0,0,0,0|2,0,1]=4 358 B11R1.20 CC(=O)NC1=CC=C(C=C1)F F124470 [0,1,0,0,0,0|2,0,1]=4 359 B11R1.20 CC(=O)NC1=CC=C(C=C1)F F579463 [0,1,0,0,0,0|2,0,1]=4 360 B11R1.20 CC(=O)NC1=CC=C(C=C1)I I135865 [0,1,0,0,0,0|2,0,1]=4 361 B11R1.20 CC(=O)NC1=CC=C(C=C1)N A100947 [0,1,0,0,0,0|2,0,1]=4 362 B11R1.20 CC(=O)NC1=CC=C(C=C1)O A105807 [0,1,0,0,0,0|1,0,1]=3 363 B11R1.20 CC(=O)NC1=CC=C(C=C1)O A105808 [0,1,0,0,0,0|1,0,1]=3 364 B11R1.20 CC(=O)NC1=CC=C(C=C1)O A105809 [0,1,0,0,0,0|1,0,1]=3 365 B11R1.20 CC(=O)NC1=CC=C(C=C1)O A135872 [0,1,0,0,0,0|1,0,1]=3 366 B11R1.20 CC(=O)NC1=CC=C(C=C1)O A136987 [0,1,0,0,0,0|1,0,1]=3 367 B11R1.20 CC(=O)NC1=CC=C(C=C1)O A305928 [0,1,0,0,0,0|1,0,1]=3 368 B11R1.20 CC(=O)NC1=CC=C(C=C1)S A100956 [0,1,0,0,0,0|1,1,1]=4 369 B11R1.20 CC(=O)OC1=CC=C(C=C1)F A124503 [0,1,0,0,0,0|2,0,1]=4 370 B11R1.20 CC(=O)OC1=CC=C(C=C1)O A588726 [0,1,0,0,0,0|1,0,1]=3 371 B11R1.20 CC(C)CC1=CC=C(C=C1)Br B163036 [0,1,0,0,0,0|1,0,2]=4 372 B11R1.20 CC1=CC=C(C=C1)CC(=O)O T100785 [0,1,0,0,0,0|2,0,0]=3 373 B11R1.20 CC1=CC=C(C=C1)NC(=O)C P160549 [0,1,0,0,0,0|2,0,1]=4 374 B11R1.20 CC1=CC=C(C=C1)NC(=S)N P160446 [0,1,0,0,0,0|3,0,0]=4 375 B11R1.20 CC1=CC=C(C=C1)OC(=O)C P160555 [0,1,0,0,0,0|2,0,1]=4 376 B11R1.20 CC1=CC=C(C=C1)OC(=O)Cl P343127 [0,1,0,0,0,0|3,0,0]=4 377 B11R1.20 CC1=NC=C(C=C1)CC(=O)O M573259 [0,1,0,0,0,0|3,0,0]=4 378 B11R1.20 CN(C)CC1=CC=C(C=C1)N A185751 [0,1,0,0,0,0|2,0,1]=4 379 B11R1.22 C1=CC(=CC=C1C(=O)C=O)Br B187187 [0,1,0,0,0,0|2,0,1]=4 380 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O B151940 [0,1,0,0,0,0|1,0,2]=4 381 B11R1.22 C1=CC(=CC=C1C(=O)CCl)O C123253 [0,1,0,0,0,0|1,0,2]=4 382 B11R1.22 C1=CC(=CC=C1C(=O)NN)O H106356 [0,1,0,0,0,0|2,0,1]=4 383 B11R1.22 C1=CC(=CC=C1C(CN)O)O O101521 [0,1,0,0,0,0|1,0,1]=3 384 B11R1.22 C1=CC(=CC=C1C(CO)N)Br A587986 [0,1,0,0,0,0|2,0,1]=4 385 B11R1.22 CC(=NO)C1=CC=C(C=C1)O H157119 [0,1,0,0,0,0|2,0,1]=4 386 B11R1.22 CC1=CC=C(C=C1)N(C)C=O N159308 [0,1,0,0,0,0|3,0,0]=4 387 B11R1.22 CCC(=O)C1=CC=C(C=C1)O H107590 [0,1,0,0,0,0|0,0,3]=4 388 B11R1.22 CCC(C)C1=CC=C(C=C1)Br B136925 [0,1,0,0,0,0|1,0,2]=4 389 B11R1.22 CCC(C)C1=CC=C(C=C1)N S161429 [0,1,0,0,0,0|1,0,2]=4 390 B11R1.22 CCC(C)C1=CC=C(C=C1)O S161081 [0,1,0,0,0,0|0,0,2]=3 391 B11R1.22 CCC(C1=CC=C(C=C1)Cl)N C489594 [0,1,0,0,0,0|1,0,2]=4 392 B11R1.22 CN(C=O)C1=CC=C(C=C1)Cl C153737 [0,1,0,0,0,0|3,0,0]=4 393 B11R1.22 COC(=N)C1=CC=C(C=C1)O B301321 [0,1,0,0,0,0|1,0,2]=4 394 B11R1.22 COC(=O)C1=CC=C(C=C1)O M108620 [0,1,0,0,0,0|1,0,2]=4 395 B11R1.22 COC(=O)C1=CC=C(C=C1)O M108621 [0,1,0,0,0,0|1,0,2]=4 396 B11R1.22 COC(=O)C1=CC=C(C=C1)O M108622 [0,1,0,0,0,0|1,0,2]=4 397 B11R1.22 COC(=O)C1=CC=C(C=C1)O M111496 [0,1,0,0,0,0|1,0,2]=4 398 B11R1.22 COC(=O)C1=CC=C(C=C1)O M427229 [0,1,0,0,0,0|1,0,2]=4 399 B11R1.22 NCC(O)C1=CC=C(O)C=C1 O408184 [0,1,0,0,0,0|1,0,1]=3 400 B11R1.81 C1=CC(=C(C=C1Br)F)CC#N B179582 [0,1,0,0,0,0|2,0,1]=4 401 B11R1.81 C1=CC(=C(C=C1Cl)Cl)CC#N D154622 [0,1,0,0,0,0|2,0,1]=4 402 B11R1.81 C1=CC(=C(C=C1Cl)Cl)CCBr D165846 [0,1,0,0,0,0|2,0,1]=4 403 B11R1.81 C1=CC(=C(C=C1Cl)Cl)CCN D154340 [0,1,0,0,0,0|2,0,1]=4 404 B11R1.81 C1=CC(=C(C=C1Cl)Cl)CCO D134031 [0,1,0,0,0,0|2,0,1]=4 405 B11R1.81 C1=CC(=C(C=C1Cl)Cl)CON O193693 [0,1,0,0,0,0|3,0,0]=4 406 B11R1.81 C1=CC(=C(C=C1Cl)F)CC#N C122858 [0,1,0,0,0,0|2,0,1]=4 407 B11R1.81 C1=CC(=C(C=C1F)F)CC#N D136464 [0,1,0,0,0,0|2,0,1]=4 408 B11R1.81 CNCC1=C(C=C(C=C1)Cl)Cl D178117 [0,1,0,0,0,0|2,0,1]=4 409 B11R1.81 CNCC1=C(C=C(C=C1)Cl)Cl D404190 [0,1,0,0,0,0|2,0,1]=4 410 B11R1.83 C#CC1=CC=C(C=C1)CC#N E138707 [0,1,0,0,0,0|2,0,1]=4 411 B11R1.83 C#CC1=CC=C(C=C1)CC#N E470034 [0,1,0,0,0,0|2,0,1]=4 412 B11R1.83 C1=CC(=CC=C1CC#N)C#N C124217 [0,1,0,0,0,0|2,0,1]=4 413 B11R1.83 C1=CC(=CC=C1CCBr)C#N B194753 [0,1,0,0,0,0|2,0,1]=4 414 B11R1.83 C1=CC(=CC=C1CCN)C#N A167799 [0,1,0,0,0,0|2,0,1]=4 415 B11R1.83 C1=CC(=CC=C1CCO)C#N H134819 [0,1,0,0,0,0|2,0,1]=4 416 B11R1.83 CC=CC1=CC=C(C=C1)OC A111314 [0,1,0,0,0,0|0,0,2]=3 417 B11R1.83 CC=CC1=CC=C(C=C1)OC A119294 [0,1,0,0,0,0|0,0,2]=3 418 B11R1.83 CC=CC1=CC=C(C=C1)OC P136392 [0,1,0,0,0,0|0,0,2]=3 419 B11R1.83 CC=CC1=CC=C(C=C1)OC T423891 [0,1,0,0,0,0|0,0,2]=3 420 B11R1.83 CCCC1=CC=C(C=C1)C#C N115542 [0,1,0,0,0,0|1,0,2]=4 421 B11R1.83 CCCC1=CC=C(C=C1)C=O P135756 [0,1,0,0,0,0|0,0,3]=4 422 B11R1.83 CCCC1=CC=C(C=C1)OC M586236 [0,1,0,0,0,0|0,0,2]=3 423 B11R1.83 CCOC1=CC=C(C=C1)CO E156108 [0,1,0,0,0,0|1,0,2]=4 424 B11R1.83 CNCC1=CC=C(C=C1)C#N M183867 [0,1,0,0,0,0|2,0,1]=4 425 B11R1.83 CNCC1=CC=C(C=C1)OC M121878 [0,1,0,0,0,0|1,0,1]=3 426 B11R1.83 CNCC1=CC=C(C=C1)OC M187530 [0,1,0,0,0,0|1,0,1]=3 427 B11R1.83 COC1=CC=C(C=C1)CC#N M124732 [0,1,0,0,0,0|1,0,1]=3 428 B11R1.83 COC1=CC=C(C=C1)CC=C A151340 [0,1,0,0,0,0|0,0,0]=1 429 B11R1.83 COC1=CC=C(C=C1)CC=C A421524 [0,1,0,0,0,0|0,0,0]=1 430 B11R1.83 COC1=CC=C(C=C1)CC=O M193998 [0,1,0,0,0,0|1,0,0]=2 431 B11R1.83 COC1=CC=C(C=C1)CCBr M353698 [0,1,0,0,0,0|1,0,1]=3 432 B11R1.83 COC1=CC=C(C=C1)CCN M106422 [0,1,0,0,0,0|1,0,1]=3 433 B11R1.83 COC1=CC=C(C=C1)CCO M124605 [0,1,0,0,0,0|1,0,1]=3 434 B11R1.83 COC1=CC=C(C=C1)CCO M493169 [0,1,0,0,0,0|1,0,1]=3 435 B11R1.83 COC1=CC=C(C=C1)CNN M175563 [0,1,0,0,0,0|2,0,0]=3 436 B11R1.83 COC1=CC=C(C=C1)CON A479616 [0,1,0,0,0,0|2,0,0]=3 437 B11R1.83 COC1=CC=C(C=C1)N=C=O M157830 [0,1,0,0,0,0|2,0,1]=4 438 B11R1.83 COC1=CC=C(C=C1)N=C=S M140587 [0,1,0,0,0,0|2,0,1]=4 439 B11R1.83 COC1=CC=C(C=C1)N=C=S M473065 [0,1,0,0,0,0|2,0,1]=4 440 B11R1.83 COC1=CC=C(C=C1)NC=O M158339 [0,1,0,0,0,0|2,0,0]=3 441 B11R1.83 COC1=CC=C(C=C1)OC#N M300697 [0,1,0,0,0,0|2,0,1]=4 442 B11R1.83 COCC1=CC=C(C=C1)OC M158116 [0,1,0,0,0,0|1,0,1]=3 443 B11R1.192 C1=CC(=C(C=C1CC#N)Br)N A590503 [0,1,0,0,0,0|2,0,1]=4 444 B11R1.192 C1=CC(=C(C=C1CC#N)Cl)Cl D133372 [0,1,0,0,0,0|2,0,1]=4 445 B11R1.192 C1=CC(=C(C=C1CC#N)Cl)F C185871 [0,1,0,0,0,0|2,0,1]=4 446 B11R1.192 C1=CC(=C(C=C1CC#N)F)Br B134478 [0,1,0,0,0,0|2,0,1]=4 447 B11R1.192 C1=CC(=C(C=C1CC#N)F)F D122865 [0,1,0,0,0,0|2,0,1]=4 448 B11R1.192 C1=CC(=C(C=C1CCN)Cl)Cl D154344 [0,1,0,0,0,0|2,0,1]=4 449 B11R1.192 C1=CC(=C(C=C1CCN)O)O A303863 [0,1,0,0,0,0|1,0,1]=3 450 B11R1.192 C1=CC(=C(C=C1CCN)O)O A303864 [0,1,0,0,0,0|1,0,1]=3 451 B11R1.192 C1=CC(=C(C=C1CCN)O)O D103111 [0,1,0,0,0,0|1,0,1]=3 452 B11R1.192 C1=CC(=C(C=C1CCN)O)O D121757 [0,1,0,0,0,0|1,0,1]=3 453 B11R1.192 C1=CC(=C(C=C1CCN)O)O H350369 [0,1,0,0,0,0|1,0,1]=3 454 B11R1.192 C1=CC(=C(C=C1CCO)Cl)Cl D134939 [0,1,0,0,0,0|2,0,1]=4 455 B11R1.192 C1=CC(=C(C=C1CCO)O)O H107675 [0,1,0,0,0,0|1,0,1]=3 456 B11R1.192 C1=CC(=C(C=C1CCO)O)O H306005 [0,1,0,0,0,0|1,0,1]=3 457 B11R1.192 C1=CC(=C(C=C1CCO)O)O H420486 [0,1,0,0,0,0|1,0,1]=3 458 B11R1.192 C=CCC1=CC(=C(C=C1)O)O A151341 [0,1,0,0,0,0|0,0,0]=1 459 B11R1.192 CC1=C(C=CC(=C1)SC#N)O T338473 [0,1,0,0,0,0|2,0,1]=4 460 B11R1.192 CCCC1=CC(=C(C=C1)O)O P588420 [0,1,0,0,0,0|0,0,2]=3 461 B11R1.192 NCCC1=CC(=C(O)C=C1)O D408026 [0,1,0,0,0,0|1,0,1]=3 462 B11R2.34 C1C(O1)C2=CC=C(C=C2)F I131966 [0,0,0,1,0,0|2,0,1]=4 463 B11R2.34 C1CC1C2=CC=C(C=C2)Br B189729 [0,0,0,1,0,0|1,0,2]=4 464 B11R2.36 C1=CC(=CC2=C1C=CN2)Br B123498 [0,0,0,1,0,0|2,0,1]=4 465 B11R2.36 C1=CC(=CC2=C1C=CN2)Cl C123500 [0,0,0,1,0,0|2,0,1]=4 466 B11R2.36 C1=CC(=CC2=C1C=CN2)F F111471 [0,0,0,1,0,0|2,0,1]=4 467 B11R2.36 C1=CC(=CC2=C1C=CN2)N A119320 [0,0,0,1,0,0|2,0,1]=4 468 B11R2.36 C1=CC(=CC2=C1C=CN2)O H102255 [0,0,0,1,0,0|1,0,1]=3 469 B11R2.36 C1=CC(=CC2=C1C=CO2)Br B173227 [0,0,0,1,0,0|2,0,1]=4 470 B11R2.36 C1=CC(=CC2=C1C=CO2)N B586369 [0,0,0,1,0,0|2,0,1]=4 471 B11R2.36 C1=CC(=CC2=C1C=CS2)Br B133149 [0,0,0,1,0,0|2,0,1]=4 472 B11R2.36 C1=CC(=NC2=C1NC=C2)Cl C124823 [0,0,0,1,0,0|3,0,0]=4 473 B11R2.36 C1=CC(=NC2=C1NC=C2)F F195603 [0,0,0,1,0,0|3,0,0]=4 474 B11R2.36 C1=CC(=NC2=C1SC=C2)Cl C177088 [0,0,0,1,0,0|3,0,0]=4 475 B11R2.36 C1=CC2=C(C=C1Br)C=NN2 B122429 [0,0,0,1,0,0|3,0,0]=4 476 B11R2.36 C1=CC2=C(C=C1Br)C=NN2 B589198 [0,0,0,1,0,0|3,0,0]=4 477 B11R2.36 C1=CC2=C(C=C1Br)N=CO2 B166962 [0,0,0,1,0,0|3,0,0]=4 478 B11R2.36 C1=CC2=C(C=C1Br)N=CS2 B186512 [0,0,0,1,0,0|3,0,0]=4 479 B11R2.36 C1=CC2=C(C=C1Br)NC=N2 B137245 [0,0,0,1,0,0|3,0,0]=4 480 B11R2.36 C1=CC2=C(C=C1Br)OC=N2 B184114 [0,0,0,1,0,0|3,0,0]=4 481 B11R2.36 C1=CC2=C(C=C1Br)SC=N2 B135001 [0,0,0,1,0,0|3,0,0]=4 482 B11R2.36 C1=CC2=C(C=C1Cl)C=NN2 C186101 [0,0,0,1,0,0|3,0,0]=4 483 B11R2.36 C1=CC2=C(C=C1Cl)N=CO2 C167876 [0,0,0,1,0,0|3,0,0]=4 484 B11R2.36 C1=CC2=C(C=C1Cl)N=CS2 C192496 [0,0,0,1,0,0|3,0,0]=4 485 B11R2.36 C1=CC2=C(C=C1Cl)NC=N2 C153428 [0,0,0,1,0,0|3,0,0]=4 486 B11R2.36 C1=CC2=C(C=C1Cl)OC=N2 C182978 [0,0,0,1,0,0|3,0,0]=4 487 B11R2.36 C1=CC2=C(C=C1F)C=NN2 F169766 [0,0,0,1,0,0|3,0,0]=4 488 B11R2.36 C1=CC2=C(C=C1F)NC=N2 F191875 [0,0,0,1,0,0|3,0,0]=4 489 B11R2.36 C1=CC2=C(C=C1I)NC=N2 I195064 [0,0,0,1,0,0|3,0,0]=4 490 B11R2.36 C1=CC2=C(C=C1N)C=NN2 A113923 [0,0,0,1,0,0|3,0,0]=4 491 B11R2.36 C1=CC2=C(C=C1N)N=CS2 A138033 [0,0,0,1,0,0|3,0,0]=4 492 B11R2.36 C1=CC2=C(C=C1N)NC=N2 A151159 [0,0,0,1,0,0|3,0,0]=4 493 B11R2.36 C1=CC2=C(C=C1N)NC=N2 H332116 [0,0,0,1,0,0|3,0,0]=4 494 B11R2.36 C1=CC2=C(C=C1N)SC=N2 A113931 [0,0,0,1,0,0|3,0,0]=4 495 B11R2.36 C1=CC2=C(C=C1O)C=NN2 H122402 [0,0,0,1,0,0|2,0,0]=3 496 B11R2.36 C1=CC2=C(C=C1O)NN=C2 H157135 [0,0,0,1,0,0|2,0,1]=4 497 B11R2.36 C1=CC2=C(C=C1O)SC=N2 H157270 [0,0,0,1,0,0|2,0,0]=3 498 B11R2.36 C1=CC2=C(C=CN2)C=C1Br B111473 [0,0,0,1,0,0|2,0,0]=3 499 B11R2.36 C1=CC2=C(C=CN2)C=C1Cl C119122 [0,0,0,1,0,0|2,0,0]=3 500 B11R2.36 C1=CC2=C(C=CN2)C=C1F F111474 [0,0,0,1,0,0|2,0,0]=3 501 B11R2.36 C1=CC2=C(C=CN2)C=C1I I122983 [0,0,0,1,0,0|2,0,0]=3 502 B11R2.36 C1=CC2=C(C=CN2)C=C1N A107386 [0,0,0,1,0,0|2,0,0]=3 503 B11R2.36 C1=CC2=C(C=CN2)C=C1O H105520 [0,0,0,1,0,0|1,0,0]=2 504 B11R2.36 C1=CC2=C(C=CO2)C=C1Br B168831 [0,0,0,1,0,0|2,0,0]=3 505 B11R2.36 C1=CC2=C(C=CS2)C=C1Br B101866 [0,0,0,1,0,0|2,0,0]=3 506 B11R2.36 C1=CC2=C(C=CS2)C=C1Cl C135346 [0,0,0,1,0,0|2,0,0]=3 507 B11R2.36 C1=CC2=NC=CN2C=C1Br B137301 [0,0,0,1,0,0|3,0,0]=4 508 B11R2.36 C1=CC2=NC=CN2C=C1Cl C194225 [0,0,0,1,0,0|3,0,0]=4 509 B11R2.36 C1=CC2=NC=CN2C=C1F F181399 [0,0,0,1,0,0|3,0,0]=4 510 B11R2.36 C1=CC2=NC=CN2C=C1I I342463 [0,0,0,1,0,0|3,0,0]=4 511 B11R2.36 C1=CN2C(=CC=N2)C=C1Br B171861 [0,0,0,1,0,0|3,0,0]=4 512 B11R2.36 C1=CN2C(=CC=N2)C=C1N P172013 [0,0,0,1,0,0|3,0,0]=4 513 B11R2.36 C1=CNC2=CN=C(C=C21)Br B166544 [0,0,0,1,0,0|3,0,0]=4 514 B11R2.36 C1=CNC2=CN=C(C=C21)Cl C173298 [0,0,0,1,0,0|3,0,0]=4 515 B11R2.36 C1=CNC2=NC=C(C=C21)Br B102309 [0,0,0,1,0,0|3,0,0]=4 516 B11R2.36 C1=CNC2=NC=C(C=C21)Cl C122893 [0,0,0,1,0,0|3,0,0]=4 517 B11R2.36 C1=CNC2=NC=C(C=C21)F F122930 [0,0,0,1,0,0|3,0,0]=4 518 B11R2.36 C1=CNC2=NC=C(C=C21)I I178091 [0,0,0,1,0,0|3,0,0]=4 519 B11R2.36 C1=CNC2=NC=C(C=C21)N H137408 [0,0,0,1,0,0|3,0,0]=4 520 B11R2.36 C1=CNC2=NC=C(C=C21)O H178602 [0,0,0,1,0,0|2,0,0]=3 521 B11R2.36 C1=COC2=NC=C(C=C21)Br B182894 [0,0,0,1,0,0|3,0,0]=4 522 B11R2.36 C1C2=C(CN1)C=C(C=C2)Br B178228 [0,0,0,1,0,0|2,0,1]=4 523 B11R2.36 C1C2=C(CN1)C=C(C=C2)Br B480318 [0,0,0,1,0,0|2,0,1]=4 524 B11R2.36 C1C2=C(CO1)C=C(C=C2)N D489691 [0,0,0,1,0,0|2,0,1]=4 525 B11R2.36 C1CC2=C(C1)C=C(C=C2)N A151769 [0,0,0,1,0,0|1,0,2]=4 526 B11R2.36 C1CC2=C(C1)C=C(C=C2)O H157229 [0,0,0,1,0,0|0,0,2]=3 527 B11R2.36 C1CNC2=C1C=CC(=C2)Cl D303889 [0,0,0,1,0,0|2,0,1]=4 528 B11R2.36 C1CNC2=C1C=CC(=C2)F F303147 [0,0,0,1,0,0|2,0,1]=4 529 B11R2.36 C1OC2=C(O1)C=C(C=C2)O S106853 [0,0,0,1,0,0|2,0,1]=4 530 B11R2.36 CC1=CC2=C(C=C1)C=CN2 M107953 [0,0,0,1,0,0|2,0,1]=4 531 B11R2.36 CC1=CC2=C(C=C1)N=CN2 M158013 [0,0,0,1,0,0|3,0,0]=4 532 B11R2.36 CC1=CC2=C(C=C1)N=CS2 M588612 [0,0,0,1,0,0|3,0,0]=4 533 B11R2.36 CC1=CC2=C(C=C1)NC=C2 M113638 [0,0,0,1,0,0|2,0,0]=3 534 B11R2.36 CC1=CC2=C(C=C1)NN=C2 M121870 [0,0,0,1,0,0|3,0,0]=4 535 B11R2.36 CC1=CC2=C(C=C1)OC=N2 M158471 [0,0,0,1,0,0|3,0,0]=4 536 B11R2.36 CC1=CC2=C(C=C1)SC=C2 M158051 [0,0,0,1,0,0|2,0,0]=3 537 B11R2.36 CC1=CC2=C(NC=C2)N=C1 M134033 [0,0,0,1,0,0|3,0,0]=4 538 B9R1.7 C[N+]1=CN(C=C1)CC=C A101536 [0,0,0,0,1,0|3,0,0]=4 539 B9R1.7 C[N+]1=CN(C=C1)CC=C A169503 [0,0,0,0,1,0|3,0,0]=4 540 B9R1.7 C[N+]1=CN(C=C1)CC=C A304770 [0,0,0,0,1,0|3,0,0]=4 541 B9R1.7 C[N+]1=CN(C=C1)CC=C A304784 [0,0,0,0,1,0|3,0,0]=4 542 B8R1.2 C#CC1=CC=CC=C1 P107030 [2,0,0,0,0,0|0,0,2]=4 543 B8R1.2 C#CC1=CC=CC=C1 P332820 [2,0,0,0,0,0|0,0,2]=4 544 B8R1.2 C1=CC(=CN=C1)C=O P106877 [2,0,0,0,0,0|2,0,0]=4 545 B8R1.2 C1=CC(=CN=C1)CBr B137612 [2,0,0,0,0,0|2,0,0]=4 546 B8R1.2 C1=CC(=CN=C1)CCl P135883 [2,0,0,0,0,0|2,0,0]=4 547 B8R1.2 C1=CC(=CN=C1)CN P160053 [2,0,0,0,0,0|2,0,0]=4 548 B8R1.2 C1=CC(=CN=C1)CO P106580 [2,0,0,0,0,0|2,0,0]=4 549 B8R1.2 C1=CC=C(C=C1)C#N B104457 [2,0,0,0,0,0|1,0,1]=4 550 B8R1.2 C1=CC=C(C=C1)C#N B104458 [2,0,0,0,0,0|1,0,1]=4 551 B8R1.2 C1=CC=C(C=C1)C#N B110114 [2,0,0,0,0,0|1,0,1]=4 552 B8R1.2 C1=CC=C(C=C1)C#N B113726 [2,0,0,0,0,0|1,0,1]=4 553 B8R1.2 C1=CC=C(C=C1)C#N B119686 [2,0,0,0,0,0|1,0,1]=4 554 B8R1.2 C1=CC=C(C=C1)C#N B121683 [2,0,0,0,0,0|1,0,1]=4 555 B8R1.2 C1=CC=C(C=C1)C=O B110459 [2,0,0,0,0,0|1,0,0]=3 556 B8R1.2 C1=CC=C(C=C1)C=O B110460 [2,0,0,0,0,0|1,0,0]=3 557 B8R1.2 C1=CC=C(C=C1)C=O B110463 [2,0,0,0,0,0|1,0,0]=3 558 B8R1.2 C1=CC=C(C=C1)C=O B110464 [2,0,0,0,0,0|1,0,0]=3 559 B8R1.2 C1=CC=C(C=C1)C=O B266083 [2,0,0,0,0,0|1,0,0]=3 560 B8R1.2 C1=CC=C(C=C1)C=O B420281 [2,0,0,0,0,0|1,0,0]=3 561 B8R1.2 C1=CC=C(C=C1)C=O B472001 [2,0,0,0,0,0|1,0,0]=3 562 B8R1.2 C1=CC=C(C=C1)CBr B108549 [2,0,0,0,0,0|1,0,0]=3 563 B8R1.2 C1=CC=C(C=C1)CBr B471999 [2,0,0,0,0,0|1,0,0]=3 564 B8R1.2 C1=CC=C(C=C1)CBr B472021 [2,0,0,0,0,0|1,0,0]=3 565 B8R1.2 C1=CC=C(C=C1)CCl B110580 [2,0,0,0,0,0|1,0,0]=3 566 B8R1.2 C1=CC=C(C=C1)CCl B110581 [2,0,0,0,0,0|1,0,0]=3 567 B8R1.2 C1=CC=C(C=C1)CCl B110582 [2,0,0,0,0,0|1,0,0]=3 568 B8R1.2 C1=CC=C(C=C1)CCl B141153 [2,0,0,0,0,0|1,0,0]=3 569 B8R1.2 C1=CC=C(C=C1)CCl B431204 [2,0,0,0,0,0|1,0,0]=3 570 B8R1.2 C1=CC=C(C=C1)CCl B472028 [2,0,0,0,0,0|1,0,0]=3 571 B8R1.2 C1=CC=C(C=C1)CCl B472041 [2,0,0,0,0,0|1,0,0]=3 572 B8R1.2 C1=CC=C(C=C1)CN A348464 [2,0,0,0,0,0|1,0,0]=3 573 B8R1.2 C1=CC=C(C=C1)CN B108477 [2,0,0,0,0,0|1,0,0]=3 574 B8R1.2 C1=CC=C(C=C1)CN B152179 [2,0,0,0,0,0|1,0,0]=3 575 B8R1.2 C1=CC=C(C=C1)CN B152887 [2,0,0,0,0,0|1,0,0]=3 576 B8R1.2 C1=CC=C(C=C1)CN B152949 [2,0,0,0,0,0|1,0,0]=3 577 B8R1.2 C1=CC=C(C=C1)CN B304428 [2,0,0,0,0,0|1,0,0]=3 578 B8R1.2 C1=CC=C(C=C1)CN B485378 [2,0,0,0,0,0|1,0,0]=3 579 B8R1.2 C1=CC=C(C=C1)CN P493007 [2,0,0,0,0,0|1,0,0]=3 580 B8R1.2 C1=CC=C(C=C1)CN P493016 [2,0,0,0,0,0|1,0,0]=3 581 B8R1.2 C1=CC=C(C=C1)CN P493100 [2,0,0,0,0,0|1,0,0]=3 582 B8R1.2 C1=CC=C(C=C1)CO B108199 [2,0,0,0,0,0|1,0,0]=3 583 B8R1.2 C1=CC=C(C=C1)CO B108202 [2,0,0,0,0,0|1,0,0]=3 584 B8R1.2 C1=CC=C(C=C1)CO B108203 [2,0,0,0,0,0|1,0,0]=3 585 B8R1.2 C1=CC=C(C=C1)CO B108204 [2,0,0,0,0,0|1,0,0]=3 586 B8R1.2 C1=CC=C(C=C1)CO B108205 [2,0,0,0,0,0|1,0,0]=3 587 B8R1.2 C1=CC=C(C=C1)CO B163018 [2,0,0,0,0,0|1,0,0]=3 588 B8R1.2 C1=CC=C(C=C1)CO B346959 [2,0,0,0,0,0|1,0,0]=3 589 B8R1.2 C1=CC=C(C=C1)CO B420278 [2,0,0,0,0,0|1,0,0]=3 590 B8R1.2 C1=CC=C(C=C1)CO B472101 [2,0,0,0,0,0|1,0,0]=3 591 B8R1.2 C1=CC=C(C=C1)CS B109256 [2,0,0,0,0,0|1,0,0]=3 592 B8R1.2 C1=CC=C(C=C1)I=O I157626 [2,0,0,0,0,0|2,0,0]=4 593 B8R1.2 C1=CC=C(C=C1)N=O N159156 [2,0,0,0,0,0|2,0,0]=4 594 B8R1.2 C1=CC=C(C=C1)NN P104684 [2,0,0,0,0,0|2,0,0]=4 595 B8R1.2 C1=CC=C(C=C1)NN P108563 [2,0,0,0,0,0|2,0,0]=4 596 B8R1.2 C1=CC=C(C=C1)NN P112739 [2,0,0,0,0,0|2,0,0]=4 597 B8R1.2 C1=CC=C(C=C1)NN P579459 [2,0,0,0,0,0|2,0,0]=4 598 B8R1.2 C1=CC=C(C=C1)NO N131374 [2,0,0,0,0,0|2,0,0]=4 599 B8R1.2 C1=CC=C(C=C1)ON O464484 [2,0,0,0,0,0|2,0,0]=4 600 B8R1.2 C1=CC=C(C=C1)[As]=O P336440 [2,0,0,0,0,0|2,0,0]=4 601 B8R1.2 C1=CC=C(C=C1)[Hg]Cl P598721 [2,0,0,0,0,0|2,0,0]=4 602 B8R1.2 C1=CC=C(C=C1)[Se]Cl P160704 [2,0,0,0,0,0|2,0,0]=4 603 B8R1.2 C1=CC=NC(=C1)C=O P105912 [2,0,0,0,0,0|2,0,0]=4 604 B8R1.2 C1=CC=NC(=C1)CBr B169474 [2,0,0,0,0,0|2,0,0]=4 605 B8R1.2 C1=CC=NC(=C1)CCl C117226 [2,0,0,0,0,0|2,0,0]=4 606 B8R1.2 C1=CC=NC(=C1)CN P107146 [2,0,0,0,0,0|2,0,0]=4 607 B8R1.2 C1=CC=NC(=C1)CO P106578 [2,0,0,0,0,0|2,0,0]=4 608 B8R1.2 C1=CN=CC=C1C=O P105913 [2,0,0,0,0,0|2,0,0]=4 609 B8R1.2 C1=CN=CC=C1CBr B135280 [2,0,0,0,0,0|2,0,0]=4 610 B8R1.2 C1=CN=CC=C1CCl C107154 [2,0,0,0,0,0|2,0,0]=4 611 B8R1.2 C1=CN=CC=C1CN A107215 [2,0,0,0,0,0|2,0,0]=4 612 B8R1.2 C1=CN=CC=C1CN P194376 [2,0,0,0,0,0|2,0,0]=4 613 B8R1.2 C1=CN=CC=C1CO P107414 [2,0,0,0,0,0|2,0,0]=4 614 B8R1.2 C=CC1=CC=CC=C1 A304890 [2,0,0,0,0,0|0,0,0]=2 615 B8R1.2 C=CC1=CC=CC=C1 P107084 [2,0,0,0,0,0|0,0,0]=2 616 B8R1.2 C=CC1=CC=CC=C1 P107085 [2,0,0,0,0,0|0,0,0]=2 617 B8R1.2 C=CC1=CC=CC=C1 P107086 [2,0,0,0,0,0|0,0,0]=2 618 B8R1.2 C=CC1=CC=CC=C1 P107087 [2,0,0,0,0,0|0,0,0]=2 619 B8R1.2 C=CC1=CC=CC=C1 P107088 [2,0,0,0,0,0|0,0,0]=2 620 B8R1.2 C=CC1=CC=CC=C1 P107089 [2,0,0,0,0,0|0,0,0]=2 621 B8R1.2 C=CC1=CC=CC=C1 P107090 [2,0,0,0,0,0|0,0,0]=2 622 B8R1.2 C=CC1=CC=CC=C1 P107091 [2,0,0,0,0,0|0,0,0]=2 623 B8R1.2 C=CC1=CC=CC=C1 P107772 [2,0,0,0,0,0|0,0,0]=2 624 B8R1.2 C=CC1=CC=CC=C1 P107773 [2,0,0,0,0,0|0,0,0]=2 625 B8R1.2 C=CC1=CC=CC=C1 P107774 [2,0,0,0,0,0|0,0,0]=2 626 B8R1.2 C=CC1=CC=CC=C1 P107775 [2,0,0,0,0,0|0,0,0]=2 627 B8R1.2 C=CC1=CC=CC=C1 P107776 [2,0,0,0,0,0|0,0,0]=2 628 B8R1.2 C=CC1=CC=CC=C1 P107777 [2,0,0,0,0,0|0,0,0]=2 629 B8R1.2 C=CC1=CC=CC=C1 P107778 [2,0,0,0,0,0|0,0,0]=2 630 B8R1.2 C=CC1=CC=CC=C1 P107779 [2,0,0,0,0,0|0,0,0]=2 631 B8R1.2 C=CC1=CC=CC=C1 P107780 [2,0,0,0,0,0|0,0,0]=2 632 B8R1.2 C=CC1=CC=CC=C1 P107782 [2,0,0,0,0,0|0,0,0]=2 633 B8R1.2 C=CC1=CC=CC=C1 P107783 [2,0,0,0,0,0|0,0,0]=2 634 B8R1.2 C=CC1=CC=CC=C1 P107784 [2,0,0,0,0,0|0,0,0]=2 635 B8R1.2 C=CC1=CC=CC=C1 P107786 [2,0,0,0,0,0|0,0,0]=2 636 B8R1.2 C=CC1=CC=CC=C1 P107787 [2,0,0,0,0,0|0,0,0]=2 637 B8R1.2 C=CC1=CC=CC=C1 P107789 [2,0,0,0,0,0|0,0,0]=2 638 B8R1.2 C=CC1=CC=CC=C1 P107790 [2,0,0,0,0,0|0,0,0]=2 639 B8R1.2 C=CC1=CC=CC=C1 P107791 [2,0,0,0,0,0|0,0,0]=2 640 B8R1.2 C=CC1=CC=CC=C1 P107792 [2,0,0,0,0,0|0,0,0]=2 641 B8R1.2 C=CC1=CC=CC=C1 P107793 [2,0,0,0,0,0|0,0,0]=2 642 B8R1.2 C=CC1=CC=CC=C1 P107794 [2,0,0,0,0,0|0,0,0]=2 643 B8R1.2 C=CC1=CC=CC=C1 P107795 [2,0,0,0,0,0|0,0,0]=2 644 B8R1.2 C=CC1=CC=CC=C1 P107796 [2,0,0,0,0,0|0,0,0]=2 645 B8R1.2 C=CC1=CC=CC=C1 P107797 [2,0,0,0,0,0|0,0,0]=2 646 B8R1.2 C=CC1=CC=CC=C1 P107798 [2,0,0,0,0,0|0,0,0]=2 647 B8R1.2 C=CC1=CC=CC=C1 P107801 [2,0,0,0,0,0|0,0,0]=2 648 B8R1.2 C=CC1=CC=CC=C1 P107802 [2,0,0,0,0,0|0,0,0]=2 649 B8R1.2 C=CC1=CC=CC=C1 P107803 [2,0,0,0,0,0|0,0,0]=2 650 B8R1.2 C=CC1=CC=CC=C1 P107804 [2,0,0,0,0,0|0,0,0]=2 651 B8R1.2 C=CC1=CC=CC=C1 P107805 [2,0,0,0,0,0|0,0,0]=2 652 B8R1.2 C=CC1=CC=CC=C1 P107806 [2,0,0,0,0,0|0,0,0]=2 653 B8R1.2 C=CC1=CC=CC=C1 P107807 [2,0,0,0,0,0|0,0,0]=2 654 B8R1.2 C=CC1=CC=CC=C1 P107808 [2,0,0,0,0,0|0,0,0]=2 655 B8R1.2 C=CC1=CC=CC=C1 P107809 [2,0,0,0,0,0|0,0,0]=2 656 B8R1.2 C=CC1=CC=CC=C1 P107810 [2,0,0,0,0,0|0,0,0]=2 657 B8R1.2 C=CC1=CC=CC=C1 P107811 [2,0,0,0,0,0|0,0,0]=2 658 B8R1.2 C=CC1=CC=CC=C1 P107812 [2,0,0,0,0,0|0,0,0]=2 659 B8R1.2 C=CC1=CC=CC=C1 P107813 [2,0,0,0,0,0|0,0,0]=2 660 B8R1.2 C=CC1=CC=CC=C1 P107814 [2,0,0,0,0,0|0,0,0]=2 661 B8R1.2 C=CC1=CC=CC=C1 P119494 [2,0,0,0,0,0|0,0,0]=2 662 B8R1.2 C=CC1=CC=CC=C1 P119495 [2,0,0,0,0,0|0,0,0]=2 663 B8R1.2 C=CC1=CC=CC=C1 P119496 [2,0,0,0,0,0|0,0,0]=2 664 B8R1.2 C=CC1=CC=CC=C1 P119498 [2,0,0,0,0,0|0,0,0]=2 665 B8R1.2 C=CC1=CC=CC=C1 P119572 [2,0,0,0,0,0|0,0,0]=2 666 B8R1.2 C=CC1=CC=CC=C1 P304886 [2,0,0,0,0,0|0,0,0]=2 667 B8R1.2 C=CC1=CC=CC=C1 P304889 [2,0,0,0,0,0|0,0,0]=2 668 B8R1.2 C=CC1=CC=CC=C1 P434446 [2,0,0,0,0,0|0,0,0]=2 669 B8R1.2 C=CC1=CC=CC=C1 P434450 [2,0,0,0,0,0|0,0,0]=2 670 B8R1.2 C=CC1=CC=CC=C1 P434455 [2,0,0,0,0,0|0,0,0]=2 671 B8R1.2 C=CC1=CC=CC=C1 P476626 [2,0,0,0,0,0|0,0,0]=2 672 B8R1.2 C=CC1=CC=CC=C1 P490073 [2,0,0,0,0,0|0,0,0]=2 673 B8R1.2 C=CC1=CC=CC=C1 P638578 [2,0,0,0,0,0|0,0,0]=2 674 B8R1.2 C=CC1=CC=CC=C1 S110374 [2,0,0,0,0,0|0,0,0]=2 675 B8R1.2 C=CC1=CC=CC=C1 S110375 [2,0,0,0,0,0|0,0,0]=2 676 B8R1.2 C=CC1=CC=CC=C1 S110376 [2,0,0,0,0,0|0,0,0]=2 677 B8R1.2 C=CC1=CC=CC=C1 S110377 [2,0,0,0,0,0|0,0,0]=2 678 B8R1.2 C=CC1=CC=CC=C1 S110378 [2,0,0,0,0,0|0,0,0]=2 679 B8R1.2 C=CC1=CC=CC=C1 S121282 [2,0,0,0,0,0|0,0,0]=2 680 B8R1.2 C=CC1=CC=CC=N1 V106227 [2,0,0,0,0,0|1,0,0]=3 681 B8R1.2 C=CC1=CC=NC=C1 P303219 [2,0,0,0,0,0|1,0,0]=3 682 B8R1.2 C=CC1=CC=NC=C1 P303220 [2,0,0,0,0,0|1,0,0]=3 683 B8R1.2 C=CC1=CC=NC=C1 P466518 [2,0,0,0,0,0|1,0,0]=3 684 B8R1.2 C=CC1=CC=NC=C1 V105595 [2,0,0,0,0,0|1,0,0]=3 685 B8R1.2 C=CC1=CN=CC=C1 V138030 [2,0,0,0,0,0|1,0,0]=3 686 B8R1.2 CCC1=CC=CC=C1 E108144 [2,0,0,0,0,0|0,0,1]=3 687 B8R1.2 CCC1=CC=CC=C1 E108145 [2,0,0,0,0,0|0,0,1]=3 688 B8R1.2 CCC1=CC=CC=C1 E108146 [2,0,0,0,0,0|0,0,1]=3 689 B8R1.2 CCC1=CC=CC=C1 E108148 [2,0,0,0,0,0|0,0,1]=3 690 B8R1.2 CCC1=CC=CC=C1 E108149 [2,0,0,0,0,0|0,0,1]=3 691 B8R1.2 CCC1=CC=CC=C1 E117364 [2,0,0,0,0,0|0,0,1]=3 692 B8R1.2 CCC1=CC=CC=N1 E156565 [2,0,0,0,0,0|1,0,1]=4 693 B8R1.2 CCC1=CC=NC=C1 E106225 [2,0,0,0,0,0|1,0,1]=4 694 B8R1.2 CCC1=CN=CC=C1 E156048 [2,0,0,0,0,0|1,0,1]=4 695 B8R1.2 CC[N+]1=CC=CC=C1 E102660 [2,0,0,0,0,0|1,0,1]=4 696 B8R1.2 CC[N+]1=CC=CC=C1 E102661 [2,0,0,0,0,0|1,0,1]=4 697 B8R1.2 CNC1=CC=CC=C1 M109539 [2,0,0,0,0,0|1,0,1]=4 698 B8R1.2 CNC1=CC=CC=C1 M109540 [2,0,0,0,0,0|1,0,1]=4 699 B8R1.2 COC1=CC=CC=C1 A103680 [2,0,0,0,0,0|1,0,1]=4 700 B8R1.2 COC1=CC=CC=C1 A103683 [2,0,0,0,0,0|1,0,1]=4 701 B8R1.2 COC1=CC=CC=C1 A103684 [2,0,0,0,0,0|1,0,1]=4 702 B8R1.2 COC1=CC=CC=C1 A105952 [2,0,0,0,0,0|1,0,1]=4 703 B8R1.2 COC1=CC=CC=C1 A472026 [2,0,0,0,0,0|1,0,1]=4 704 B8R1.2 CSC1=CC=CC=C1 T107511 [2,0,0,0,0,0|1,0,1]=4 705 B8R1.2 C[Si]C1=CC=CC=C1 M338232 [2,0,0,0,0,0|0,1,1]=4 706 B8R1.2 [C-]#CC1=CC=CC=C1 C282525 [2,0,0,0,0,0|0,0,2]=4 707 B8R1.2 [C-]#CC1=CC=CC=C1 P331408 [2,0,0,0,0,0|0,0,2]=4 708 B8R1.3 C1=CC(=CC=C1Br)Br D104691 [2,0,0,0,0,0|2,0,0]=4 709 B8R1.3 C1=CC(=CC=C1Br)Br D104693 [2,0,0,0,0,0|2,0,0]=4 710 B8R1.3 C1=CC(=CC=C1Br)Br D121273 [2,0,0,0,0,0|2,0,0]=4 711 B8R1.3 C1=CC(=CC=C1Br)I B107004 [2,0,0,0,0,0|2,0,0]=4 712 B8R1.3 C1=CC(=CC=C1Cl)Br B106076 [2,0,0,0,0,0|2,0,0]=4 713 B8R1.3 C1=CC(=CC=C1Cl)Br B106077 [2,0,0,0,0,0|2,0,0]=4 714 B8R1.3 C1=CC(=CC=C1Cl)Cl D104666 [2,0,0,0,0,0|2,0,0]=4 715 B8R1.3 C1=CC(=CC=C1Cl)Cl D104668 [2,0,0,0,0,0|2,0,0]=4 716 B8R1.3 C1=CC(=CC=C1Cl)Cl D104670 [2,0,0,0,0,0|2,0,0]=4 717 B8R1.3 C1=CC(=CC=C1Cl)Cl D104676 [2,0,0,0,0,0|2,0,0]=4 718 B8R1.3 C1=CC(=CC=C1Cl)Cl D115108 [2,0,0,0,0,0|2,0,0]=4 719 B8R1.3 C1=CC(=CC=C1Cl)Cl D123306 [2,0,0,0,0,0|2,0,0]=4 720 B8R1.3 C1=CC(=CC=C1Cl)I C101940 [2,0,0,0,0,0|2,0,0]=4 721 B8R1.3 C1=CC(=CC=C1F)Br B107758 [2,0,0,0,0,0|2,0,0]=4 722 B8R1.3 C1=CC(=CC=C1F)Cl C122649 [2,0,0,0,0,0|2,0,0]=4 723 B8R1.3 C1=CC(=CC=C1F)F D113734 [2,0,0,0,0,0|2,0,0]=4 724 B8R1.3 C1=CC(=CC=C1F)I F100907 [2,0,0,0,0,0|2,0,0]=4 725 B8R1.3 C1=CC(=CC=C1F)S F101761 [2,0,0,0,0,0|1,1,0]=4 726 B8R1.3 C1=CC(=CC=C1I)I D111116 [2,0,0,0,0,0|2,0,0]=4 727 B8R1.3 C1=CC(=CC=C1N)Br B103946 [2,0,0,0,0,0|2,0,0]=4 728 B8R1.3 C1=CC(=CC=C1N)Cl C103934 [2,0,0,0,0,0|2,0,0]=4 729 B8R1.3 C1=CC(=CC=C1N)Cl C103935 [2,0,0,0,0,0|2,0,0]=4 730 B8R1.3 C1=CC(=CC=C1N)Cl C103936 [2,0,0,0,0,0|2,0,0]=4 731 B8R1.3 C1=CC(=CC=C1N)Cl C103945 [2,0,0,0,0,0|2,0,0]=4 732 B8R1.3 C1=CC(=CC=C1N)Cl C141217 [2,0,0,0,0,0|2,0,0]=4 733 B8R1.3 C1=CC(=CC=C1N)F F103204 [2,0,0,0,0,0|2,0,0]=4 734 B8R1.3 C1=CC(=CC=C1N)F F404104 [2,0,0,0,0,0|2,0,0]=4 735 B8R1.3 C1=CC(=CC=C1N)F F404490 [2,0,0,0,0,0|2,0,0]=4 736 B8R1.3 C1=CC(=CC=C1N)I I107029 [2,0,0,0,0,0|2,0,0]=4 737 B8R1.3 C1=CC(=CC=C1N)N D117081 [2,0,0,0,0,0|2,0,0]=4 738 B8R1.3 C1=CC(=CC=C1N)N P108424 [2,0,0,0,0,0|2,0,0]=4 739 B8R1.3 C1=CC(=CC=C1N)N P108425 [2,0,0,0,0,0|2,0,0]=4 740 B8R1.3 C1=CC(=CC=C1N)N P108426 [2,0,0,0,0,0|2,0,0]=4 741 B8R1.3 C1=CC(=CC=C1N)N P128784 [2,0,0,0,0,0|2,0,0]=4 742 B8R1.3 C1=CC(=CC=C1N)N P292856 [2,0,0,0,0,0|2,0,0]=4 743 B8R1.3 C1=CC(=CC=C1N)N P302258 [2,0,0,0,0,0|2,0,0]=4 744 B8R1.3 C1=CC(=CC=C1N)N p115806 [2,0,0,0,0,0|2,0,0]=4 745 B8R1.3 C1=CC(=CC=C1N)O A100496 [2,0,0,0,0,0|1,0,0]=3 746 B8R1.3 C1=CC(=CC=C1N)O A110564 [2,0,0,0,0,0|1,0,0]=3 747 B8R1.3 C1=CC(=CC=C1N)O A110566 [2,0,0,0,0,0|1,0,0]=3 748 B8R1.3 C1=CC(=CC=C1N)S A107494 [2,0,0,0,0,0|1,1,0]=4 749 B8R1.3 C1=CC(=CC=C1N)S A163041 [2,0,0,0,0,0|1,1,0]=4 750 B8R1.3 C1=CC(=CC=C1O)Br B100691 [2,0,0,0,0,0|1,0,0]=3 751 B8R1.3 C1=CC(=CC=C1O)Br B100692 [2,0,0,0,0,0|1,0,0]=3 752 B8R1.3 C1=CC(=CC=C1O)Cl C108253 [2,0,0,0,0,0|1,0,0]=3 753 B8R1.3 C1=CC(=CC=C1O)Cl C108254 [2,0,0,0,0,0|1,0,0]=3 754 B8R1.3 C1=CC(=CC=C1O)Cl C108255 [2,0,0,0,0,0|1,0,0]=3 755 B8R1.3 C1=CC(=CC=C1O)Cl C108256 [2,0,0,0,0,0|1,0,0]=3 756 B8R1.3 C1=CC(=CC=C1O)F F107127 [2,0,0,0,0,0|1,0,0]=3 757 B8R1.3 C1=CC(=CC=C1O)I I107037 [2,0,0,0,0,0|1,0,0]=3 758 B8R1.3 C1=CC(=CC=C1O)O H108945 [2,0,0,0,0,0|1,0,0]=3 759 B8R1.3 C1=CC(=CC=C1O)O H108946 [2,0,0,0,0,0|1,0,0]=3 760 B8R1.3 C1=CC(=CC=C1O)O H108947 [2,0,0,0,0,0|1,0,0]=3 761 B8R1.3 C1=CC(=CC=C1O)O H431621 [2,0,0,0,0,0|1,0,0]=3 762 B8R1.3 C1=CC(=CC=C1O)S M101786 [2,0,0,0,0,0|1,0,0]=3 763 B8R1.3 C1=CC(=CC=C1S)Br B101773 [2,0,0,0,0,0|1,1,0]=4 764 B8R1.3 C1=CC(=CC=C1S)Cl C101766 [2,0,0,0,0,0|1,1,0]=4 765 B8R1.3 C1=CC(=CC=C1S)S B151928 [2,0,0,0,0,0|1,1,0]=4 766 B8R1.3 C1=CC(=NC=C1O)Br B102604 [2,0,0,0,0,0|2,0,0]=4 767 B8R1.3 C1=CC(=NC=C1O)Br B399634 [2,0,0,0,0,0|2,0,0]=4 768 B8R1.3 C1=CC(=NC=C1O)Cl C102603 [2,0,0,0,0,0|2,0,0]=4 769 B8R1.3 C1=CC(=NC=C1O)F F102601 [2,0,0,0,0,0|2,0,0]=4 770 B8R1.3 C1=CC(=NC=C1O)N A185200 [2,0,0,0,0,0|2,0,0]=4 771 B8R1.3 C1=CC(=O)C=CC1=O B108670 [2,0,0,0,0,0|1,0,1]=4 772 B8R1.3 C1=CC(=O)C=CC1=O B108671 [2,0,0,0,0,0|1,0,1]=4 773 B8R1.3 C1=CC(=O)C=CC1=O B108672 [2,0,0,0,0,0|1,0,1]=4 774 B8R1.3 C1=CC(=O)C=CC1=O Q104677 [2,0,0,0,0,0|1,0,1]=4 775 B8R1.3 CC1=CC=C(C=C1)Br B108900 [2,0,0,0,0,0|1,0,0]=3 776 B8R1.3 CC1=CC=C(C=C1)C X103333 [2,0,0,0,0,0|1,0,0]=3 777 B8R1.3 CC1=CC=C(C=C1)C X103334 [2,0,0,0,0,0|1,0,0]=3 778 B8R1.3 CC1=CC=C(C=C1)C X103336 [2,0,0,0,0,0|1,0,0]=3 779 B8R1.3 CC1=CC=C(C=C1)C X103338 [2,0,0,0,0,0|1,0,0]=3 780 B8R1.3 CC1=CC=C(C=C1)C X103339 [2,0,0,0,0,0|1,0,0]=3 781 B8R1.3 CC1=CC=C(C=C1)C X103342 [2,0,0,0,0,0|1,0,0]=3 782 B8R1.3 CC1=CC=C(C=C1)C X119715 [2,0,0,0,0,0|1,0,0]=3 783 B8R1.3 CC1=CC=C(C=C1)C X128149 [2,0,0,0,0,0|1,0,0]=3 784 B8R1.3 CC1=CC=C(C=C1)Cl C104628 [2,0,0,0,0,0|1,0,0]=3 785 B8R1.3 CC1=CC=C(C=C1)Cl C104629 [2,0,0,0,0,0|1,0,0]=3 786 B8R1.3 CC1=CC=C(C=C1)Cl C113011 [2,0,0,0,0,0|1,0,0]=3 787 B8R1.3 CC1=CC=C(C=C1)Cl C113012 [2,0,0,0,0,0|1,0,0]=3 788 B8R1.3 CC1=CC=C(C=C1)Cl C128161 [2,0,0,0,0,0|1,0,0]=3 789 B8R1.3 CC1=CC=C(C=C1)F F107110 [2,0,0,0,0,0|1,0,0]=3 790 B8R1.3 CC1=CC=C(C=C1)I I118363 [2,0,0,0,0,0|1,0,0]=3 791 B8R1.3 CC1=CC=C(C=C1)N T108450 [2,0,0,0,0,0|1,0,0]=3 792 B8R1.3 CC1=CC=C(C=C1)N T108451 [2,0,0,0,0,0|1,0,0]=3 793 B8R1.3 CC1=CC=C(C=C1)N T111232 [2,0,0,0,0,0|1,0,0]=3 794 B8R1.3 CC1=CC=C(C=C1)O C108248 [2,0,0,0,0,0|0,0,0]=2 795 B8R1.3 CC1=CC=C(C=C1)O C108249 [2,0,0,0,0,0|0,0,0]=2 796 B8R1.3 CC1=CC=C(C=C1)O C108250 [2,0,0,0,0,0|0,0,0]=2 797 B8R1.3 CC1=CC=C(C=C1)O C108251 [2,0,0,0,0,0|0,0,0]=2 798 B8R1.3 CC1=CC=C(C=C1)O C108252 [2,0,0,0,0,0|0,0,0]=2 799 B8R1.3 CC1=CC=C(C=C1)O C108640 [2,0,0,0,0,0|0,0,0]=2 800 B8R1.3 CC1=CC=C(C=C1)O C108641 [2,0,0,0,0,0|0,0,0]=2 801 B8R1.3 CC1=CC=C(C=C1)O C128202 [2,0,0,0,0,0|0,0,0]=2 802 B8R1.3 CC1=CC=C(C=C1)S T109389 [2,0,0,0,0,0|0,1,0]=3 803 B8R1.3 CC1=CC=[N+](C=C1)C D588274 [2,0,0,0,0,0|2,0,0]=4 804 B8R1.3 CC1=CC=[N+](C=C1)[O-] M158852 [2,0,0,0,0,0|1,0,1]=4 805 B8R1.3 CC1=CN=C(C=C1)Br B120720 [2,0,0,0,0,0|2,0,0]=4 806 B8R1.3 CC1=CN=C(C=C1)C L111803 [2,0,0,0,0,0|2,0,0]=4 807 B8R1.3 CC1=CN=C(C=C1)Cl C122971 [2,0,0,0,0,0|2,0,0]=4 808 B8R1.3 CC1=CN=C(C=C1)F F120713 [2,0,0,0,0,0|2,0,0]=4 809 B8R1.3 CC1=CN=C(C=C1)N A107505 [2,0,0,0,0,0|2,0,0]=4 810 B8R1.3 CC1=CNC(=O)C=C1 H107715 [2,0,0,0,0,0|1,0,1]=4 811 B8R1.3 CC1=CNC(=S)C=C1 M405751 [2,0,0,0,0,0|1,1,0]=4 812 B8R1.3 CC1=NC=C(C=C1)Br B123445 [2,0,0,0,0,0|2,0,0]=4 813 B8R1.3 CC1=NC=C(C=C1)Cl C186235 [2,0,0,0,0,0|2,0,0]=4 814 B8R1.3 CC1=NC=C(C=C1)F F489688 [2,0,0,0,0,0|2,0,0]=4 815 B8R1.3 CC1=NC=C(C=C1)N A103049 [2,0,0,0,0,0|2,0,0]=4 816 B8R1.3 CC1=NC=C(C=C1)O H156935 [2,0,0,0,0,0|1,0,0]=3 817 B8R1.3 CC1=NC=C(C=N1)O M588838 [2,0,0,0,0,0|2,0,0]=4 818 B8R1.3 CC1=[C-]C=C(C=C1)F F579402 [2,0,0,0,0,0|1,0,1]=4 819 B10R0.78 C=CCOC(=O)C=CC(=O)O A189086 [0,1,1,0,0,0|2,0,0]=4 820 B10R1.3 C#CC1=CC=C(C=C1)C=O E139128 [1,1,0,0,0,0|2,0,0]=4 821 B10R1.3 C#CC1=CC=C(C=C1)CCl C586270 [1,1,0,0,0,0|2,0,0]=4 822 B10R1.3 C#CC1=CC=C(C=C1)CO E302152 [1,1,0,0,0,0|0,0,2]=4 823 B10R1.3 C1=CC(=CC=C1C=O)C#N F100751 [1,1,0,0,0,0|2,0,0]=4 824 B10R1.3 C1=CC(=CC=C1C=O)C=O P105980 [1,1,0,0,0,0|1,0,1]=4 825 B10R1.3 C1=CC(=CC=C1CBr)C#N C153839 [1,1,0,0,0,0|2,0,0]=4 826 B10R1.3 C1=CC(=CC=C1CBr)C=O B184885 [1,1,0,0,0,0|1,0,1]=4 827 B10R1.3 C1=CC(=CC=C1CBr)CBr D100654 [1,1,0,0,0,0|2,0,0]=4 828 B10R1.3 C1=CC(=CC=C1CCl)C#N C101656 [1,1,0,0,0,0|2,0,0]=4 829 B10R1.3 C1=CC(=CC=C1CCl)C=O C194802 [1,1,0,0,0,0|1,0,1]=4 830 B10R1.3 C1=CC(=CC=C1CCl)CCl D104515 [1,1,0,0,0,0|2,0,0]=4 831 B10R1.3 C1=CC(=CC=C1CN)C#N A132657 [1,1,0,0,0,0|2,0,0]=4 832 B10R1.3 C1=CC(=CC=C1CN)CN P292859 [1,1,0,0,0,0|2,0,0]=4 833 B10R1.3 C1=CC(=CC=C1CN)CN X113802 [1,1,0,0,0,0|2,0,0]=4 834 B10R1.3 C1=CC(=CC=C1CN)CO A184295 [1,1,0,0,0,0|1,0,0]=3 835 B10R1.3 C1=CC(=CC=C1CO)C#N H124046 [1,1,0,0,0,0|1,0,1]=4 836 B10R1.3 C1=CC(=CC=C1CO)C=O H193722 [1,1,0,0,0,0|1,0,0]=3 837 B10R1.3 C1=CC(=CC=C1CO)CCl W131919 [1,1,0,0,0,0|1,0,0]=3 838 B10R1.3 C1=CC(=CC=C1CO)CO B107001 [1,1,0,0,0,0|1,0,0]=3 839 B10R1.3 C1=CC(=CC=C1CS)CS B101791 [1,1,0,0,0,0|1,1,0]=4 840 B10R1.3 C1=CC(=CC=C1NO)N=O B101359 [1,1,0,0,0,0|2,0,0]=4 841 B10R1.3 C=CC1=CC=C(C=C1)C#N C478980 [1,1,0,0,0,0|1,0,0]=3 842 B10R1.3 C=CC1=CC=C(C=C1)C=C P466823 [1,1,0,0,0,0|1,0,0]=3 843 B10R1.3 C=CC1=CC=C(C=C1)C=O V587715 [1,1,0,0,0,0|0,0,1]=3 844 B10R1.3 C=CC1=CC=C(C=C1)CCl V141224 [1,1,0,0,0,0|1,0,0]=3 845 B10R1.3 C=CC1=CC=C(C=C1)CCl V592268 [1,1,0,0,0,0|1,0,0]=3 846 B10R1.3 C=CC1=CC=C(C=C1)CN V123986 [1,1,0,0,0,0|1,0,0]=3 847 B10R1.3 CCC1=CC=C(C=C1)C#C E115541 [1,1,0,0,0,0|1,0,1]=4 848 B10R1.3 CCC1=CC=C(C=C1)C#N E169049 [1,1,0,0,0,0|1,0,1]=4 849 B10R1.3 CCC1=CC=C(C=C1)C=O E102795 [1,1,0,0,0,0|0,0,2]=4 850 B10R1.3 CCC1=CC=C(C=C1)CC D107652 [1,1,0,0,0,0|1,0,1]=4 851 B10R1.3 CCC1=CC=C(C=C1)CC D107653 [1,1,0,0,0,0|1,0,1]=4 852 B10R1.3 CCC1=CC=C(C=C1)CCl E299918 [1,1,0,0,0,0|1,0,1]=4 853 B10R1.3 CCC1=CC=C(C=C1)CCl E399766 [1,1,0,0,0,0|1,0,1]=4 854 B10R1.3 CCC1=CC=C(C=C1)CO E156110 [1,1,0,0,0,0|0,0,1]=3 855 B10R1.3 CCC1=CC=C(C=C1)NN E185066 [1,1,0,0,0,0|1,0,1]=4 856 B10R1.3 CCC1=CC=C(C=C1)OC E137475 [1,1,0,0,0,0|0,0,1]=3 857 B10R1.3 CNC1=CC=C(C=C1)OC I133933 [1,1,0,0,0,0|1,0,1]=4 858 B10R1.3 COC1=CC=C(C=C1)C#C M111332 [1,1,0,0,0,0|0,0,2]=4 859 B10R1.3 COC1=CC=C(C=C1)C#N M111093 [1,1,0,0,0,0|1,0,1]=4 860 B10R1.3 COC1=CC=C(C=C1)C=C M103131 [1,1,0,0,0,0|0,0,0]=2 861 B10R1.3 COC1=CC=C(C=C1)C=O A108955 [1,1,0,0,0,0|1,0,0]=3 862 B10R1.3 COC1=CC=C(C=C1)C=O A108956 [1,1,0,0,0,0|1,0,0]=3 863 B10R1.3 COC1=CC=C(C=C1)C=O A108957 [1,1,0,0,0,0|1,0,0]=3 864 B10R1.3 COC1=CC=C(C=C1)C=O A108958 [1,1,0,0,0,0|1,0,0]=3 865 B10R1.3 COC1=CC=C(C=C1)C=O P421001 [1,1,0,0,0,0|1,0,0]=3 866 B10R1.3 COC1=CC=C(C=C1)CCl M491599 [1,1,0,0,0,0|1,0,0]=3 867 B10R1.3 COC1=CC=C(C=C1)CN M123767 [1,1,0,0,0,0|1,0,0]=3 868 B10R1.3 COC1=CC=C(C=C1)CO M107568 [1,1,0,0,0,0|1,0,0]=3 869 B10R1.3 COC1=CC=C(C=C1)CS M101790 [1,1,0,0,0,0|1,0,0]=3 870 B10R1.3 COC1=CC=C(C=C1)CS M414622 [1,1,0,0,0,0|1,0,0]=3 871 B10R1.3 COC1=CC=C(C=C1)OC D104711 [1,1,0,0,0,0|1,0,1]=4 872 B10R1.3 COC1=CC=C(C=C1)OC D137778 [1,1,0,0,0,0|1,0,1]=4 873 B10R1.3 COC1=CC=C(C=C1)SC M101846 [1,1,0,0,0,0|1,0,1]=4 874 B10R1.3 COC1=CC=C(C=C1)[N+]#N M123217 [1,1,0,0,0,0|2,0,0]=4 875 B10R1.3 COC1=CC=C(C=C1)[N+]#[C-] M165558 [1,1,0,0,0,0|1,0,1]=4 876 B10R1.3 COC1=CN=C(C=C1)C=O M182921 [1,1,0,0,0,0|2,0,0]=4 877 B10R1.3 COC1=CN=C(C=C1)CO M190450 [1,1,0,0,0,0|2,0,0]=4 878 B10R1.3 COC1=NC=C(C=C1)C=O M115769 [1,1,0,0,0,0|2,0,0]=4 879 B10R1.3 COC1=NC=C(C=C1)CN M177670 [1,1,0,0,0,0|2,0,0]=4 880 B10R1.3 COC1=NC=C(C=C1)CO M176865 [1,1,0,0,0,0|2,0,0]=4 881 B10R1.3 CSC1=CC=C(C=C1)C=O P133663 [1,1,0,0,0,0|1,1,0]=4 882 B10R1.3 CSC1=CC=C(C=C1)CCl M101851 [1,1,0,0,0,0|1,1,0]=4 883 B10R1.3 CSC1=CC=C(C=C1)CO M101850 [1,1,0,0,0,0|1,0,1]=4 884 B10R1.13 B(C1=CC=C(C=C1)O)(O)O C107574 [1,1,0,0,0,0|2,0,0]=4 885 B10R1.13 C1=CC(=CC=C1C(=N)N)Br B140178 [1,1,0,0,0,0|2,0,0]=4 886 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl C153625 [1,1,0,0,0,0|2,0,0]=4 887 B10R1.13 C1=CC(=CC=C1C(=N)N)F F140179 [1,1,0,0,0,0|2,0,0]=4 888 B10R1.13 C1=CC(=CC=C1C(=N)N)N A113930 [1,1,0,0,0,0|2,0,0]=4 889 B10R1.13 C1=CC(=CC=C1C(=N)N)O H121877 [1,1,0,0,0,0|1,0,0]=3 890 B10R1.13 C1=CC(=CC=C1C(=O)Cl)Br B103223 [1,1,0,0,0,0|2,0,0]=4 891 B10R1.13 C1=CC(=CC=C1C(=O)Cl)Cl C106079 [1,1,0,0,0,0|2,0,0]=4 892 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F F109226 [1,1,0,0,0,0|2,0,0]=4 893 B10R1.13 C1=CC(=CC=C1C(=O)Cl)I I157591 [1,1,0,0,0,0|2,0,0]=4 894 B10R1.13 C1=CC(=CC=C1C(=O)N)Br B133990 [1,1,0,0,0,0|2,0,0]=4 895 B10R1.13 C1=CC(=CC=C1C(=O)N)Cl C153725 [1,1,0,0,0,0|2,0,0]=4 896 B10R1.13 C1=CC(=CC=C1C(=O)N)F F109724 [1,1,0,0,0,0|2,0,0]=4 897 B10R1.13 C1=CC(=CC=C1C(=O)N)I I135499 [1,1,0,0,0,0|2,0,0]=4 898 B10R1.13 C1=CC(=CC=C1C(=O)N)N A107276 [1,1,0,0,0,0|2,0,0]=4 899 B10R1.13 C1=CC(=CC=C1C(=O)N)O H157094 [1,1,0,0,0,0|1,0,0]=3 900 B10R1.13 C1=CC(=CC=C1C(=O)O)Br B104344 [1,1,0,0,0,0|2,0,0]=4 901 B10R1.13 C1=CC(=CC=C1C(=O)O)Cl C104333 [1,1,0,0,0,0|2,0,0]=4 902 B10R1.13 C1=CC(=CC=C1C(=O)O)Cl C104334 [1,1,0,0,0,0|2,0,0]=4 903 B10R1.13 C1=CC(=CC=C1C(=O)O)Cl C433417 [1,1,0,0,0,0|2,0,0]=4 904 B10R1.13 C1=CC(=CC=C1C(=O)O)F F105088 [1,1,0,0,0,0|2,0,0]=4 905 B10R1.13 C1=CC(=CC=C1C(=O)O)F F105089 [1,1,0,0,0,0|2,0,0]=4 906 B10R1.13 C1=CC(=CC=C1C(=O)O)I I105098 [1,1,0,0,0,0|2,0,0]=4 907 B10R1.13 C1=CC(=CC=C1C(=O)O)N A108862 [1,1,0,0,0,0|2,0,0]=4 908 B10R1.13 C1=CC(=CC=C1C(=O)O)N A108863 [1,1,0,0,0,0|2,0,0]=4 909 B10R1.13 C1=CC(=CC=C1C(=O)O)N A421766 [1,1,0,0,0,0|2,0,0]=4 910 B10R1.13 C1=CC(=CC=C1C(=O)O)N A432150 [1,1,0,0,0,0|2,0,0]=4 911 B10R1.13 C1=CC(=CC=C1C(=O)O)O H108508 [1,1,0,0,0,0|1,0,0]=3 912 B10R1.13 C1=CC(=CC=C1C(=O)O)O H108509 [1,1,0,0,0,0|1,0,0]=3 913 B10R1.13 C1=CC(=CC=C1C(=O)O)O P427231 [1,1,0,0,0,0|1,0,0]=3 914 B10R1.13 C1=CC(=CC=C1C(=O)O)S M100780 [1,1,0,0,0,0|1,1,0]=4 915 B10R1.13 C1=CC(=CC=C1C(=O)O)S M431355 [1,1,0,0,0,0|1,1,0]=4 916 B10R1.13 C1=CC(=CC=C1C(=O)[O-])F S358726 [1,1,0,0,0,0|2,0,0]=4 917 B10R1.13 C1=CC(=CC=C1C(=O)[O-])N A111607 [1,1,0,0,0,0|2,0,0]=4 918 B10R1.13 C1=CC(=CC=C1C(=O)[O-])N A111608 [1,1,0,0,0,0|2,0,0]=4 919 B10R1.13 C1=CC(=CC=C1C(=O)[O-])N A167159 [1,1,0,0,0,0|2,0,0]=4 920 B10R1.13 C1=CC(=CC=C1C(=O)[O-])N A474259 [1,1,0,0,0,0|2,0,0]=4 921 B10R1.13 C1=CC(=CC=C1C(=O)[O-])O H105643 [1,1,0,0,0,0|1,0,0]=3 922 B10R1.13 C1=CC(=CC=C1C(=O)[O-])O H105644 [1,1,0,0,0,0|1,0,0]=3 923 B10R1.13 C1=CC(=CC=C1C(=S)N)Br B140152 [1,1,0,0,0,0|2,0,0]=4 924 B10R1.13 C1=CC(=CC=C1C(=S)N)Cl C140150 [1,1,0,0,0,0|2,0,0]=4 925 B10R1.13 C1=CC(=CC=C1C(=S)N)O H101894 [1,1,0,0,0,0|1,0,0]=3 926 B10R1.13 C1=CC(=CC=C1C(Cl)Cl)F F156706 [1,1,0,0,0,0|2,0,0]=4 927 B10R1.13 C1=CC(=CC=C1C(F)F)Br B184912 [1,1,0,0,0,0|2,0,0]=4 928 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])O N108643 [1,1,0,0,0,0|2,0,0]=4 929 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])O N591132 [1,1,0,0,0,0|2,0,0]=4 930 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])O P572406 [1,1,0,0,0,0|2,0,0]=4 931 B10R1.13 C1=CC(=NC=C1O)C(=O)O H156934 [1,1,0,0,0,0|2,0,0]=4 932 B10R1.13 CC(=C)C1=CC=C(C=C1)F F156644 [1,1,0,0,0,0|1,0,0]=3 933 B10R1.13 CC(=C)C1=CC=C(C=C1)O P193379 [1,1,0,0,0,0|0,0,0]=2 934 B10R1.13 CC(=O)C1=CC=C(C=C1)Br B106981 [1,1,0,0,0,0|1,0,1]=4 935 B10R1.13 CC(=O)C1=CC=C(C=C1)Cl C103870 [1,1,0,0,0,0|1,0,1]=4 936 B10R1.13 CC(=O)C1=CC=C(C=C1)F F101384 [1,1,0,0,0,0|1,0,1]=4 937 B10R1.13 CC(=O)C1=CC=C(C=C1)I I107027 [1,1,0,0,0,0|1,0,1]=4 938 B10R1.13 CC(=O)C1=CC=C(C=C1)N A110613 [1,1,0,0,0,0|1,0,1]=4 939 B10R1.13 CC(=O)C1=CC=C(C=C1)N A110614 [1,1,0,0,0,0|1,0,1]=4 940 B10R1.13 CC(=O)C1=CC=C(C=C1)N A151685 [1,1,0,0,0,0|1,0,1]=4 941 B10R1.13 CC(=O)C1=CC=C(C=C1)O H102969 [1,1,0,0,0,0|0,0,1]=3 942 B10R1.13 CC(=O)C1=CC=C(C=C1)S M407301 [1,1,0,0,0,0|0,1,1]=4 943 B10R1.13 CC(=O)C1=NC=C(C=C1)O H194521 [1,1,0,0,0,0|1,0,1]=4 944 B10R1.13 CC(C)C1=CC=C(C=C1)Br B102079 [1,1,0,0,0,0|1,0,1]=4 945 B10R1.13 CC(C)C1=CC=C(C=C1)I I587659 [1,1,0,0,0,0|1,0,1]=4 946 B10R1.13 CC(C)C1=CC=C(C=C1)N I101369 [1,1,0,0,0,0|1,0,1]=4 947 B10R1.13 CC(C)C1=CC=C(C=C1)N I106863 [1,1,0,0,0,0|1,0,1]=4 948 B10R1.13 CC(C)C1=CC=C(C=C1)O I101756 [1,1,0,0,0,0|0,0,1]=3 949 B10R1.13 CC(C)C1=CC=C(C=C1)S I101777 [1,1,0,0,0,0|0,1,1]=4 950 B10R1.13 CC(C1=CC=C(C=C1)Br)N B113790 [1,1,0,0,0,0|1,0,1]=4 951 B10R1.13 CC(C1=CC=C(C=C1)Br)N B151926 [1,1,0,0,0,0|1,0,1]=4 952 B10R1.13 CC(C1=CC=C(C=C1)Br)N R138868 [1,1,0,0,0,0|1,0,1]=4 953 B10R1.13 CC(C1=CC=C(C=C1)Br)N R409459 [1,1,0,0,0,0|1,0,1]=4 954 B10R1.13 CC(C1=CC=C(C=C1)Br)O B153117 [1,1,0,0,0,0|1,0,1]=4 955 B10R1.13 CC(C1=CC=C(C=C1)Br)O I131837 [1,1,0,0,0,0|1,0,1]=4 956 B10R1.13 CC(C1=CC=C(C=C1)Cl)N C111118 [1,1,0,0,0,0|1,0,1]=4 957 B10R1.13 CC(C1=CC=C(C=C1)Cl)N C171312 [1,1,0,0,0,0|1,0,1]=4 958 B10R1.13 CC(C1=CC=C(C=C1)Cl)N C185668 [1,1,0,0,0,0|1,0,1]=4 959 B10R1.13 CC(C1=CC=C(C=C1)Cl)N R588512 [1,1,0,0,0,0|1,0,1]=4 960 B10R1.13 CC(C1=CC=C(C=C1)Cl)O C153305 [1,1,0,0,0,0|1,0,1]=4 961 B10R1.13 CC(C1=CC=C(C=C1)Cl)O S196166 [1,1,0,0,0,0|1,0,1]=4 962 B10R1.13 CC(C1=CC=C(C=C1)F)N F122770 [1,1,0,0,0,0|1,0,1]=4 963 B10R1.13 CC(C1=CC=C(C=C1)F)N R303591 [1,1,0,0,0,0|1,0,1]=4 964 B10R1.13 CC(C1=CC=C(C=C1)F)O F156599 [1,1,0,0,0,0|1,0,1]=4 965 B10R1.13 CC(C1=CC=C(C=C1)I)N I195715 [1,1,0,0,0,0|1,0,1]=4 966 B10R1.13 CC(C1=CC=C(C=C1)I)N L489513 [1,1,0,0,0,0|1,0,1]=4 967 B10R1.13 CC(C1=CC=C(C=C1)I)N R489522 [1,1,0,0,0,0|1,0,1]=4 968 B10R1.13 CC(C1=CC=C(C=C1)I)N S489515 [1,1,0,0,0,0|1,0,1]=4 969 B10R1.13 CC(C1=CC=C(C=C1)N)O H167342 [1,1,0,0,0,0|1,0,1]=4 970 B10R1.13 CC(C1=CC=C(C=C1)O)O H192225 [1,1,0,0,0,0|0,0,1]=3 971 B10R1.13 CC1=CC=C(C=C1)C(=C)C I157628 [1,1,0,0,0,0|1,0,0]=3 972 B10R1.13 CC1=CC=C(C=C1)C(=N)N M135239 [1,1,0,0,0,0|2,0,0]=4 973 B10R1.13 CC1=CC=C(C=C1)C(=O)C M106726 [1,1,0,0,0,0|1,0,1]=4 974 B10R1.13 CC1=CC=C(C=C1)C(=O)C M140798 [1,1,0,0,0,0|1,0,1]=4 975 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl T106376 [1,1,0,0,0,0|2,0,0]=4 976 B10R1.13 CC1=CC=C(C=C1)C(=O)N P160467 [1,1,0,0,0,0|2,0,0]=4 977 B10R1.13 CC1=CC=C(C=C1)C(=O)O T104320 [1,1,0,0,0,0|2,0,0]=4 978 B10R1.13 CC1=CC=C(C=C1)C(=O)O T119535 [1,1,0,0,0,0|2,0,0]=4 979 B10R1.13 CC1=CC=C(C=C1)C(=O)O T305431 [1,1,0,0,0,0|2,0,0]=4 980 B10R1.13 CC1=CC=C(C=C1)C(=S)N M140148 [1,1,0,0,0,0|2,0,0]=4 981 B10R1.13 CC1=CC=C(C=C1)C(C)C D102667 [1,1,0,0,0,0|1,0,1]=4 982 B10R1.13 CC1=CC=C(C=C1)C(C)C D118512 [1,1,0,0,0,0|1,0,1]=4 983 B10R1.13 CC1=CC=C(C=C1)C(C)C I105448 [1,1,0,0,0,0|1,0,1]=4 984 B10R1.13 CC1=CC=C(C=C1)C(C)C I105449 [1,1,0,0,0,0|1,0,1]=4 985 B10R1.13 CC1=CC=C(C=C1)C(C)C I105451 [1,1,0,0,0,0|1,0,1]=4 986 B10R1.13 CC1=CC=C(C=C1)C(C)N D113666 [1,1,0,0,0,0|1,0,1]=4 987 B10R1.13 CC1=CC=C(C=C1)C(C)N P160184 [1,1,0,0,0,0|1,0,1]=4 988 B10R1.13 CC1=CC=C(C=C1)C(C)N R160847 [1,1,0,0,0,0|1,0,1]=4 989 B10R1.13 CC1=CC=C(C=C1)C(C)O P160711 [1,1,0,0,0,0|1,0,1]=4 990 B10R1.13 CN(C)C1=CC=C(C=C1)O D194230 [1,1,0,0,0,0|1,0,1]=4 991 B10R1.13 C[S+](C)C1=CC=C(C=C1)O H156984 [1,1,0,0,0,0|1,0,1]=4 992 B10R1.25 C1=CC(=C(C=C1Br)Br)CO D154156 [1,1,0,0,0,0|2,0,0]=4 993 B10R1.25 C1=CC(=C(C=C1Br)Cl)C=O B132006 [1,1,0,0,0,0|2,0,0]=4 994 B10R1.25 C1=CC(=C(C=C1Br)Cl)CO B182302 [1,1,0,0,0,0|2,0,0]=4 995 B10R1.25 C1=CC(=C(C=C1Br)F)C=O B113798 [1,1,0,0,0,0|2,0,0]=4 996 B10R1.25 C1=CC(=C(C=C1Br)F)CBr B120594 [1,1,0,0,0,0|2,0,0]=4 997 B10R1.25 C1=CC(=C(C=C1Br)F)CCl B152645 [1,1,0,0,0,0|2,0,0]=4 998 B10R1.25 C1=CC(=C(C=C1Br)F)CO B168173 [1,1,0,0,0,0|2,0,0]=4 999 B10R1.25 C1=CC(=C(C=C1Br)N)CO A188537 [1,1,0,0,0,0|2,0,0]=4 1000 B10R1.25 C1=CC(=C(C=C1Br)O)C=O B124175 [1,1,0,0,0,0|2,0,0]=4 1001 B10R1.25 C1=CC(=C(C=C1Cl)Br)C=O B177580 [1,1,0,0,0,0|2,0,0]=4 1002 B10R1.25 C1=CC(=C(C=C1Cl)Cl)C=O D100690 [1,1,0,0,0,0|2,0,0]=4 1003 B10R1.25 C1=CC(=C(C=C1Cl)Cl)CBr B191953 [1,1,0,0,0,0|2,0,0]=4 1004 B10R1.25 C1=CC(=C(C=C1Cl)Cl)CCl D405586 [1,1,0,0,0,0|2,0,0]=4 1005 B10R1.25 C1=CC(=C(C=C1Cl)Cl)CN D154480 [1,1,0,0,0,0|2,0,0]=4 1006 B10R1.25 C1=CC(=C(C=C1Cl)Cl)CO D154151 [1,1,0,0,0,0|2,0,0]=4 1007 B10R1.25 C1=CC(=C(C=C1Cl)Cl)CO D422163 [1,1,0,0,0,0|2,0,0]=4 1008 B10R1.25 C1=CC(=C(C=C1Cl)Cl)CS D155416 [1,1,0,0,0,0|2,0,0]=4 1009 B10R1.25 C1=CC(=C(C=C1Cl)F)C=O C120609 [1,1,0,0,0,0|2,0,0]=4 1010 B10R1.25 C1=CC(=C(C=C1Cl)F)CBr C153563 [1,1,0,0,0,0|2,0,0]=4 1011 B10R1.25 C1=CC(=C(C=C1Cl)F)CO C185242 [1,1,0,0,0,0|2,0,0]=4 1012 B10R1.25 C1=CC(=C(C=C1Cl)N)CO A169996 [1,1,0,0,0,0|2,0,0]=4 1013 B10R1.25 C1=CC(=C(C=C1Cl)O)C=O C140242 [1,1,0,0,0,0|2,0,0]=4 1014 B10R1.25 C1=CC(=C(C=C1F)Br)C=O B120674 [1,1,0,0,0,0|2,0,0]=4 1015 B10R1.25 C1=CC(=C(C=C1F)Br)CO B133187 [1,1,0,0,0,0|2,0,0]=4 1016 B10R1.25 C1=CC(=C(C=C1F)Cl)C=O C120604 [1,1,0,0,0,0|2,0,0]=4 1017 B10R1.25 C1=CC(=C(C=C1F)Cl)CBr C123478 [1,1,0,0,0,0|2,0,0]=4 1018 B10R1.25 C1=CC(=C(C=C1F)Cl)CCl C153561 [1,1,0,0,0,0|2,0,0]=4 1019 B10R1.25 C1=CC(=C(C=C1F)Cl)CN C124426 [1,1,0,0,0,0|2,0,0]=4 1020 B10R1.25 C1=CC(=C(C=C1F)Cl)CO C133066 [1,1,0,0,0,0|2,0,0]=4 1021 B10R1.25 C1=CC(=C(C=C1F)F)C=O D120656 [1,1,0,0,0,0|2,0,0]=4 1022 B10R1.25 C1=CC(=C(C=C1F)F)CBr D120599 [1,1,0,0,0,0|2,0,0]=4 1023 B10R1.25 C1=CC(=C(C=C1F)F)CCl D122811 [1,1,0,0,0,0|2,0,0]=4 1024 B10R1.25 C1=CC(=C(C=C1F)F)CN D122767 [1,1,0,0,0,0|2,0,0]=4 1025 B10R1.25 C1=CC(=C(C=C1F)F)CO D154518 [1,1,0,0,0,0|2,0,0]=4 1026 B10R1.25 C1=CC(=C(C=C1F)O)C=O F124183 [1,1,0,0,0,0|2,0,0]=4 1027 B10R1.25 C1=CC(=C(C=C1O)Br)C=O B588246 [1,1,0,0,0,0|1,0,0]=3 1028 B10R1.25 C1=CC(=C(C=C1O)Cl)C#N C123974 [1,1,0,0,0,0|1,0,1]=4 1029 B10R1.25 C1=CC(=C(C=C1O)Cl)C=O W134215 [1,1,0,0,0,0|1,0,0]=3 1030 B10R1.25 C1=CC(=C(C=C1O)F)C#N F103201 [1,1,0,0,0,0|1,0,1]=4 1031 B10R1.25 C1=CC(=C(C=C1O)F)C=O F124151 [1,1,0,0,0,0|1,0,0]=3 1032 B10R1.25 C1=CC(=C(C=C1O)O)C=O D106474 [1,1,0,0,0,0|1,0,0]=3 1033 B10R1.25 CC1=C(C=CC(=C1)Br)C=O B134372 [1,1,0,0,0,0|2,0,0]=4 1034 B10R1.25 CC1=C(C=CC(=C1)Br)CN B193071 [1,1,0,0,0,0|2,0,0]=4 1035 B10R1.25 CC1=C(C=CC(=C1)Br)CN M491375 [1,1,0,0,0,0|2,0,0]=4 1036 B10R1.25 CC1=C(C=CC(=C1)Br)CO B153118 [1,1,0,0,0,0|2,0,0]=4 1037 B10R1.25 CC1=C(C=CC(=C1)Cl)C=O C193235 [1,1,0,0,0,0|2,0,0]=4 1038 B10R1.25 CC1=C(C=CC(=C1)Cl)CO C153314 [1,1,0,0,0,0|2,0,0]=4 1039 B10R1.25 CC1=C(C=CC(=C1)F)C=O F120645 [1,1,0,0,0,0|2,0,0]=4 1040 B10R1.25 CC1=C(C=CC(=C1)F)CBr F137397 [1,1,0,0,0,0|2,0,0]=4 1041 B10R1.25 CC1=C(C=CC(=C1)O)SC M158095 [1,1,0,0,0,0|1,0,1]=4 1042 B10R1.25 CC1=CC(=C(C=C1)C=O)Br B186774 [1,1,0,0,0,0|2,0,0]=4 1043 B10R1.25 CC1=CC(=C(C=C1)C=O)C D103125 [1,1,0,0,0,0|2,0,0]=4 1044 B10R1.25 CC1=CC(=C(C=C1)C=O)Cl C135937 [1,1,0,0,0,0|2,0,0]=4 1045 B10R1.25 CC1=CC(=C(C=C1)C=O)F F120634 [1,1,0,0,0,0|2,0,0]=4 1046 B10R1.25 CC1=CC(=C(C=C1)C=O)O H124155 [1,1,0,0,0,0|2,0,0]=4 1047 B10R1.25 CC1=CC(=C(C=C1)CCl)C D304725 [1,1,0,0,0,0|2,0,0]=4 1048 B10R1.25 CC1=CC(=C(C=C1)CO)C D155716 [1,1,0,0,0,0|2,0,0]=4 1049 B10R1.25 CC1=CC(=C(C=C1)CO)Cl C588985 [1,1,0,0,0,0|2,0,0]=4 1050 B10R1.25 CCC1=C(C=C(C=C1)C)C E156304 [1,1,0,0,0,0|1,0,1]=4 1051 B10R1.25 CCC1=C(C=C(C=C1)O)O E100551 [1,1,0,0,0,0|0,0,1]=3 1052 B10R1.25 COC1=C(C=C(C=C1)O)Br B182087 [1,1,0,0,0,0|1,0,1]=4 1053 B10R1.25 COC1=C(C=C(C=C1)O)F F193465 [1,1,0,0,0,0|1,0,1]=4 1054 B10R1.25 COC1=C(C=C(C=C1)O)O M304130 [1,1,0,0,0,0|1,0,1]=4 1055 B10R1.176 C1=C(OC=C(C1=O)O)CO K105452 [1,1,0,0,0,0|2,0,0]=4 1056 B10R1.176 C1=C(OC=C(C1=O)O)CO K140848 [1,1,0,0,0,0|2,0,0]=4 1057 B10R1.176 C1=C(OC=C(C1=O)O)CO K424322 [1,1,0,0,0,0|2,0,0]=4 1058 B10R1.176 C1=CC(=C(C=C1C#N)Br)O B120887 [1,1,0,0,0,0|1,0,1]=4 1059 B10R1.176 C1=CC(=C(C=C1C#N)Cl)O C135594 [1,1,0,0,0,0|1,0,1]=4 1060 B10R1.176 C1=CC(=C(C=C1C#N)F)O F122744 [1,1,0,0,0,0|1,0,1]=4 1061 B10R1.176 C1=CC(=C(C=C1C#N)N)O A181547 [1,1,0,0,0,0|1,0,1]=4 1062 B10R1.176 C1=CC(=C(C=C1C#N)O)O D154618 [1,1,0,0,0,0|1,0,1]=4 1063 B10R1.176 C1=CC(=C(C=C1C=O)Br)Br D133582 [1,1,0,0,0,0|2,0,0]=4 1064 B10R1.176 C1=CC(=C(C=C1C=O)Br)Cl B590391 [1,1,0,0,0,0|2,0,0]=4 1065 B10R1.176 C1=CC(=C(C=C1C=O)Br)F B120677 [1,1,0,0,0,0|2,0,0]=4 1066 B10R1.176 C1=CC(=C(C=C1C=O)Br)O B102178 [1,1,0,0,0,0|1,0,0]=3 1067 B10R1.176 C1=CC(=C(C=C1C=O)Cl)Br B190026 [1,1,0,0,0,0|2,0,0]=4 1068 B10R1.176 C1=CC(=C(C=C1C=O)Cl)Cl D100689 [1,1,0,0,0,0|2,0,0]=4 1069 B10R1.176 C1=CC(=C(C=C1C=O)Cl)F C120608 [1,1,0,0,0,0|2,0,0]=4 1070 B10R1.176 C1=CC(=C(C=C1C=O)Cl)O C133077 [1,1,0,0,0,0|1,0,0]=3 1071 B10R1.176 C1=CC(=C(C=C1C=O)F)Br B120678 [1,1,0,0,0,0|2,0,0]=4 1072 B10R1.176 C1=CC(=C(C=C1C=O)F)Cl C120611 [1,1,0,0,0,0|2,0,0]=4 1073 B10R1.176 C1=CC(=C(C=C1C=O)F)F D120660 [1,1,0,0,0,0|2,0,0]=4 1074 B10R1.176 C1=CC(=C(C=C1C=O)F)O F124318 [1,1,0,0,0,0|1,0,0]=3 1075 B10R1.176 C1=CC(=C(C=C1C=O)I)O H194131 [1,1,0,0,0,0|1,0,0]=3 1076 B10R1.176 C1=CC(=C(C=C1C=O)O)O D108634 [1,1,0,0,0,0|1,0,0]=3 1077 B10R1.176 C1=CC(=C(C=C1C=O)O)O D108636 [1,1,0,0,0,0|1,0,0]=3 1078 B10R1.176 C1=CC(=C(C=C1C=O)O)O D130075 [1,1,0,0,0,0|1,0,0]=3 1079 B10R1.176 C1=CC(=C(C=C1CBr)Br)F B134543 [1,1,0,0,0,0|2,0,0]=4 1080 B10R1.176 C1=CC(=C(C=C1CBr)Cl)Cl D182371 [1,1,0,0,0,0|2,0,0]=4 1081 B10R1.176 C1=CC(=C(C=C1CBr)Cl)F C122802 [1,1,0,0,0,0|2,0,0]=4 1082 B10R1.176 C1=CC(=C(C=C1CBr)F)Br B132624 [1,1,0,0,0,0|2,0,0]=4 1083 B10R1.176 C1=CC(=C(C=C1CBr)F)Cl C122818 [1,1,0,0,0,0|2,0,0]=4 1084 B10R1.176 C1=CC(=C(C=C1CBr)F)F D120602 [1,1,0,0,0,0|2,0,0]=4 1085 B10R1.176 C1=CC(=C(C=C1CCl)Cl)Cl D165515 [1,1,0,0,0,0|2,0,0]=4 1086 B10R1.176 C1=CC(=C(C=C1CCl)F)F D120478 [1,1,0,0,0,0|2,0,0]=4 1087 B10R1.176 C1=CC(=C(C=C1CN)Cl)Cl D122964 [1,1,0,0,0,0|2,0,0]=4 1088 B10R1.176 C1=CC(=C(C=C1CN)Cl)F C113579 [1,1,0,0,0,0|2,0,0]=4 1089 B10R1.176 C1=CC(=C(C=C1CN)F)Br B589556 [1,1,0,0,0,0|2,0,0]=4 1090 B10R1.176 C1=CC(=C(C=C1CN)F)Cl C194761 [1,1,0,0,0,0|2,0,0]=4 1091 B10R1.176 C1=CC(=C(C=C1CN)F)F D155250 [1,1,0,0,0,0|2,0,0]=4 1092 B10R1.176 C1=CC(=C(C=C1CN)O)O D167718 [1,1,0,0,0,0|1,0,0]=3 1093 B10R1.176 C1=CC(=C(C=C1CO)Br)Cl B183729 [1,1,0,0,0,0|2,0,0]=4 1094 B10R1.176 C1=CC(=C(C=C1CO)Br)F B122794 [1,1,0,0,0,0|2,0,0]=4 1095 B10R1.176 C1=CC(=C(C=C1CO)Br)O B133783 [1,1,0,0,0,0|1,0,0]=3 1096 B10R1.176 C1=CC(=C(C=C1CO)Cl)Cl D154150 [1,1,0,0,0,0|2,0,0]=4 1097 B10R1.176 C1=CC(=C(C=C1CO)Cl)F C137482 [1,1,0,0,0,0|2,0,0]=4 1098 B10R1.176 C1=CC(=C(C=C1CO)F)Br B135371 [1,1,0,0,0,0|2,0,0]=4 1099 B10R1.176 C1=CC(=C(C=C1CO)F)Cl C182593 [1,1,0,0,0,0|2,0,0]=4 1100 B10R1.176 C1=CC(=C(C=C1CO)F)F D122815 [1,1,0,0,0,0|2,0,0]=4 1101 B10R1.176 C1=CC(=C(C=C1CO)O)O D155345 [1,1,0,0,0,0|1,0,0]=3 1102 B10R1.176 CC1=C(C=C(C=C1)C=O)Br B153186 [1,1,0,0,0,0|2,0,0]=4 1103 B10R1.176 CC1=C(C=C(C=C1)C=O)C D123177 [1,1,0,0,0,0|2,0,0]=4 1104 B10R1.176 CC1=C(C=C(C=C1)C=O)Cl C124170 [1,1,0,0,0,0|2,0,0]=4 1105 B10R1.176 CC1=C(C=C(C=C1)C=O)F F124173 [1,1,0,0,0,0|2,0,0]=4 1106 B10R1.176 CC1=C(C=C(C=C1)CCl)C C189378 [1,1,0,0,0,0|2,0,0]=4 1107 B10R1.176 CC1=C(C=C(C=C1)CN)C D132092 [1,1,0,0,0,0|2,0,0]=4 1108 B10R1.176 CC1=C(C=C(C=C1)CO)C D331591 [1,1,0,0,0,0|2,0,0]=4 1109 B10R1.176 CC1=C(C=C(C=C1)CO)N A151061 [1,1,0,0,0,0|2,0,0]=4 1110 B10R1.176 CC1=C(C=CC(=C1)C=O)Br B186637 [1,1,0,0,0,0|2,0,0]=4 1111 B10R1.176 CC1=C(C=CC(=C1)C=O)Cl C353131 [1,1,0,0,0,0|2,0,0]=4 1112 B10R1.176 CC1=C(C=CC(=C1)C=O)F F120646 [1,1,0,0,0,0|2,0,0]=4 1113 B10R1.176 CC1=C(C=CC(=C1)C=O)O H124186 [1,1,0,0,0,0|1,0,0]=3 1114 B10R1.176 CC1=C(C=CC(=C1)CBr)F F129140 [1,1,0,0,0,0|2,0,0]=4 1115 B10R1.176 CC1=C(C=CC(=C1)CN)F F122788 [1,1,0,0,0,0|2,0,0]=4 1116 B10R1.176 CC1=C(C=CC(=C1)CO)Br B181609 [1,1,0,0,0,0|2,0,0]=4 1117 B10R1.176 CC1=C(C=CC(=C1)CO)F F183255 [1,1,0,0,0,0|2,0,0]=4 1118 B10R1.176 CC1=C(C=CC(=C1)OC)O H193776 [1,1,0,0,0,0|1,0,1]=4 1119 B10R1.176 CCC1=CC(=C(C=C1)O)Br B589769 [1,1,0,0,0,0|0,0,1]=3 1120 B10R1.176 CCC1=CC(=C(C=C1)O)O E165960 [1,1,0,0,0,0|0,0,1]=3 1121 B10R1.176 COC1=CC(=C(C=C1)O)Br B122555 [1,1,0,0,0,0|1,0,1]=4 1122 B10R1.176 COC1=CC(=C(C=C1)O)Br B152684 [1,1,0,0,0,0|1,0,1]=4 1123 B10R1.176 COC1=CC(=C(C=C1)O)Cl C124268 [1,1,0,0,0,0|1,0,1]=4 1124 B10R1.176 COC1=CC(=C(C=C1)O)F F156740 [1,1,0,0,0,0|1,0,1]=4 1125 B10R1.176 COC1=CC(=C(C=C1)O)N A299108 [1,1,0,0,0,0|1,0,1]=4 1126 B10R1.4 C1=CC=C(C(=C1)CC#N)Br B468900 [1,1,0,0,0,0|1,0,1]=4 1127 B10R1.4 C1=CC=C(C(=C1)CC#N)Cl C140252 [1,1,0,0,0,0|1,0,1]=4 1128 B10R1.4 C1=CC=C(C(=C1)CC#N)F F133645 [1,1,0,0,0,0|1,0,1]=4 1129 B10R1.4 C1=CC=C(C(=C1)CC#N)I I170176 [1,1,0,0,0,0|1,0,1]=4 1130 B10R1.4 C1=CC=C(C(=C1)CC#N)N A133628 [1,1,0,0,0,0|1,0,1]=4 1131 B10R1.4 C1=CC=C(C(=C1)CCBr)Cl C167804 [1,1,0,0,0,0|1,0,1]=4 1132 B10R1.4 C1=CC=C(C(=C1)CCBr)F F469846 [1,1,0,0,0,0|1,0,1]=4 1133 B10R1.4 C1=CC=C(C(=C1)CCN)Br B122727 [1,1,0,0,0,0|1,0,1]=4 1134 B10R1.4 C1=CC=C(C(=C1)CCN)Cl C153971 [1,1,0,0,0,0|1,0,1]=4 1135 B10R1.4 C1=CC=C(C(=C1)CCN)F F292844 [1,1,0,0,0,0|1,0,1]=4 1136 B10R1.4 C1=CC=C(C(=C1)CCN)F W135956 [1,1,0,0,0,0|1,0,1]=4 1137 B10R1.4 C1=CC=C(C(=C1)CCN)N A189849 [1,1,0,0,0,0|1,0,1]=4 1138 B10R1.4 C1=CC=C(C(=C1)CCN)O A191948 [1,1,0,0,0,0|1,0,1]=4 1139 B10R1.4 C1=CC=C(C(=C1)CCO)Br B102011 [1,1,0,0,0,0|1,0,1]=4 1140 B10R1.4 C1=CC=C(C(=C1)CCO)Cl C135333 [1,1,0,0,0,0|1,0,1]=4 1141 B10R1.4 C1=CC=C(C(=C1)CCO)F F134481 [1,1,0,0,0,0|1,0,1]=4 1142 B10R1.4 C1=CC=C(C(=C1)CCO)N A151124 [1,1,0,0,0,0|1,0,1]=4 1143 B10R1.4 C1=CC=C(C(=C1)CCO)O H139263 [1,1,0,0,0,0|1,0,1]=4 1144 B10R1.4 C1=CC=C(C(=C1)CON)F O192052 [1,1,0,0,0,0|2,0,0]=4 1145 B10R1.4 C=CCC1=CC=CC=C1Br A467291 [1,1,0,0,0,0|0,0,0]=2 1146 B10R1.4 C=CCC1=CC=CC=C1N A151777 [1,1,0,0,0,0|0,0,0]=2 1147 B10R1.4 C=CCC1=CC=CC=C1O A151090 [1,1,0,0,0,0|0,0,0]=2 1148 B10R1.4 CC1=CC=CC=C1CC#N O160033 [1,1,0,0,0,0|1,0,1]=4 1149 B10R1.4 CC1=CC=CC=C1CC=C A167621 [1,1,0,0,0,0|0,0,0]=2 1150 B10R1.4 CC1=CC=CC=C1CCBr B587606 [1,1,0,0,0,0|1,0,1]=4 1151 B10R1.4 CC1=CC=CC=C1CCO O159910 [1,1,0,0,0,0|1,0,1]=4 1152 B10R1.4 CC1=CC=CC=C1CNC B301431 [1,1,0,0,0,0|1,0,1]=4 1153 B10R1.4 CC1=CC=CC=C1NC=O M158338 [1,1,0,0,0,0|2,0,0]=4 1154 B10R1.4 CCCC1=CC=CC=C1C P160377 [1,1,0,0,0,0|0,0,2]=4 1155 B10R1.4 CCCC1=CC=CC=C1N P160189 [1,1,0,0,0,0|0,0,2]=4 1156 B10R1.4 CCCC1=CC=CC=C1O P160564 [1,1,0,0,0,0|0,0,2]=4 1157 B10R1.4 CNCC1=CC=CC=C1Br B194652 [1,1,0,0,0,0|1,0,1]=4 1158 B10R1.4 CNCC1=CC=CC=C1Cl C469889 [1,1,0,0,0,0|1,0,1]=4 1159 B10R1.4 CNCC1=CC=CC=C1O H156922 [1,1,0,0,0,0|1,0,1]=4 1160 B10R1.10 C1=CC(=CC(=C1)Br)CC#N B122843 [1,1,0,0,0,0|1,0,1]=4 1161 B10R1.10 C1=CC(=CC(=C1)Br)CCN B101708 [1,1,0,0,0,0|1,0,1]=4 1162 B10R1.10 C1=CC(=CC(=C1)Br)CCO B102008 [1,1,0,0,0,0|1,0,1]=4 1163 B10R1.10 C1=CC(=CC(=C1)Cl)CC#N C132151 [1,1,0,0,0,0|1,0,1]=4 1164 B10R1.10 C1=CC(=CC(=C1)Cl)CCBr C167806 [1,1,0,0,0,0|1,0,1]=4 1165 B10R1.10 C1=CC(=CC(=C1)Cl)CCN C153963 [1,1,0,0,0,0|1,0,1]=4 1166 B10R1.10 C1=CC(=CC(=C1)Cl)CCO C153312 [1,1,0,0,0,0|1,0,1]=4 1167 B10R1.10 C1=CC(=CC(=C1)F)CC#N F122867 [1,1,0,0,0,0|1,0,1]=4 1168 B10R1.10 C1=CC(=CC(=C1)F)CCBr F135723 [1,1,0,0,0,0|1,0,1]=4 1169 B10R1.10 C1=CC(=CC(=C1)F)CCN W133696 [1,1,0,0,0,0|1,0,1]=4 1170 B10R1.10 C1=CC(=CC(=C1)F)CCO F156602 [1,1,0,0,0,0|1,0,1]=4 1171 B10R1.10 C1=CC(=CC(=C1)I)CC#N I157675 [1,1,0,0,0,0|1,0,1]=4 1172 B10R1.10 C1=CC(=CC(=C1)N)CCO A589356 [1,1,0,0,0,0|1,0,1]=4 1173 B10R1.10 C1=CC(=CC(=C1)O)CC#N M350354 [1,1,0,0,0,0|1,0,1]=4 1174 B10R1.10 C1=CC(=CC(=C1)O)CCO H167016 [1,1,0,0,0,0|1,0,1]=4 1175 B10R1.10 CC1=CC(=CC=C1)CC#N M158779 [1,1,0,0,0,0|1,0,1]=4 1176 B10R1.10 CC1=CC(=CC=C1)CC=C A169645 [1,1,0,0,0,0|0,0,0]=2 1177 B10R1.10 CC1=CC(=CC=C1)CCBr M332837 [1,1,0,0,0,0|1,0,1]=4 1178 B10R1.10 CC1=CC(=CC=C1)CCCl C193160 [1,1,0,0,0,0|1,0,1]=4 1179 B10R1.10 CC1=CC(=CC=C1)CCN M170979 [1,1,0,0,0,0|1,0,1]=4 1180 B10R1.10 CC1=CC(=CC=C1)CCO M157912 [1,1,0,0,0,0|1,0,1]=4 1181 B10R1.10 CC1=CC(=CC=C1)CNC M158625 [1,1,0,0,0,0|1,0,1]=4 1182 B10R1.10 CCCC1=CC=CC(=C1)C P160391 [1,1,0,0,0,0|0,0,2]=4 1183 B10R1.10 CNCC1=CC(=CC=C1)Br B121859 [1,1,0,0,0,0|1,0,1]=4 1184 B10R1.10 CNCC1=CC(=CC=C1)Br B140813 [1,1,0,0,0,0|1,0,1]=4 1185 B10R1.10 CNCC1=CC(=CC=C1)Cl C170092 [1,1,0,0,0,0|1,0,1]=4 1186 B10R1.10 CNCC1=CC(=CC=C1)F F156708 [1,1,0,0,0,0|1,0,1]=4 1187 B10R1.10 CNCC1=CC(=CC=C1)N A151692 [1,1,0,0,0,0|1,0,1]=4 1188 B10R1.15 C#CC(C1=CC=CC=C1)O P107039 [1,1,0,0,0,0|0,0,2]=4 1189 B10R1.15 C1=CC=C(C=C1)C(=O)C=O P165810 [1,1,0,0,0,0|1,0,1]=4 1190 B10R1.15 C1=CC=C(C=C1)C(C#N)N P170863 [1,1,0,0,0,0|1,0,1]=4 1191 B10R1.15 C1=CC=C(C=C1)C(CBr)Br D304999 [1,1,0,0,0,0|1,0,1]=4 1192 B10R1.15 C1=CC=C(C=C1)C(CBr)O B192257 [1,1,0,0,0,0|1,0,1]=4 1193 B10R1.15 C1=CC=C(C=C1)C(CCl)O R304018 [1,1,0,0,0,0|1,0,1]=4 1194 B10R1.15 C1=CC=C(C=C1)C(CCl)O S304439 [1,1,0,0,0,0|1,0,1]=4 1195 B10R1.15 C1=CC=C(C=C1)C(CN)O A102440 [1,1,0,0,0,0|1,0,1]=4 1196 B10R1.15 C1=CC=C(C=C1)C(CN)O A151123 [1,1,0,0,0,0|1,0,1]=4 1197 B10R1.15 C1=CC=C(C=C1)C(CN)O R138565 [1,1,0,0,0,0|1,0,1]=4 1198 B10R1.15 C1=CC=C(C=C1)C(CO)N P109343 [1,1,0,0,0,0|1,0,1]=4 1199 B10R1.15 C1=CC=C(C=C1)C(CO)N P117139 [1,1,0,0,0,0|1,0,1]=4 1200 B10R1.15 C1=CC=C(C=C1)C(CO)N P160161 [1,1,0,0,0,0|1,0,1]=4 1201 B10R1.15 C1=CC=C(C=C1)C(CO)O P100518 [1,1,0,0,0,0|1,0,1]=4 1202 B10R1.15 C1=CC=C(C=C1)C(CO)O P100519 [1,1,0,0,0,0|1,0,1]=4 1203 B10R1.15 C1=CC=C(C=C1)C(CO)O P112689 [1,1,0,0,0,0|1,0,1]=4 1204 B10R1.15 C=CC(=O)C1=CC=CC=C1 P304587 [1,1,0,0,0,0|0,0,1]=3 1205 B10R1.15 C=CC(C1=CC=CC=C1)Cl V303368 [1,1,0,0,0,0|0,0,0]=2 1206 B10R1.15 C=CC(C1=CC=CC=C1)O V189138 [1,1,0,0,0,0|0,0,0]=2 1207 B10R1.15 CC(C#N)C1=CC=CC=C1 M468313 [1,1,0,0,0,0|1,0,1]=4 1208 B10R1.15 CC(C1=CC=CC=C1)NC I168221 [1,1,0,0,0,0|1,0,1]=4 1209 B10R1.15 CC(C1=CC=CC=C1)NC I171118 [1,1,0,0,0,0|1,0,1]=4 1210 B10R1.15 CC(C1=CC=CC=C1)NC I286935 [1,1,0,0,0,0|1,0,1]=4 1211 B10R1.15 CC(C1=CC=CC=C1)[N+]#[C-] B300007 [1,1,0,0,0,0|1,0,1]=4 1212 B10R1.15 CC(C=O)C1=CC=CC=C1 P160754 [1,1,0,0,0,0|1,0,0]=3 1213 B10R1.15 CC(CN)C1=CC=CC=C1 P191947 [1,1,0,0,0,0|1,0,1]=4 1214 B10R1.15 CC(CN)C1=CC=CC=C1 R160849 [1,1,0,0,0,0|1,0,1]=4 1215 B10R1.15 CC(CO)C1=CC=CC=C1 P160710 [1,1,0,0,0,0|1,0,1]=4 1216 B10R1.15 CC(CO)C1=CC=CC=C1 R489486 [1,1,0,0,0,0|1,0,1]=4 1217 B10R1.15 CCC(C)C1=CC=CC=C1 B100253 [1,1,0,0,0,0|0,0,2]=4 1218 B10R1.15 CCC(C)C1=CC=CC=C1 B100254 [1,1,0,0,0,0|0,0,2]=4 1219 B10R1.15 CCC(C)C1=CC=CC=C1 B128164 [1,1,0,0,0,0|0,0,2]=4 1220 B10R1.15 CCC(C1=CC=CC=C1)N E334013 [1,1,0,0,0,0|0,0,2]=4 1221 B10R1.15 CCC(C1=CC=CC=C1)N R138647 [1,1,0,0,0,0|0,0,2]=4 1222 B10R1.15 CCC(C1=CC=CC=C1)N R639496 [1,1,0,0,0,0|0,0,2]=4 1223 B10R1.15 CCC(C1=CC=CC=C1)N S135110 [1,1,0,0,0,0|0,0,2]=4 1224 B10R1.15 CCC(C1=CC=CC=C1)O P107008 [1,1,0,0,0,0|0,0,2]=4 1225 B10R1.15 CCC(C1=CC=CC=C1)O R138307 [1,1,0,0,0,0|0,0,2]=4 1226 B10R1.15 CCC(C1=CC=CC=C1)O S161360 [1,1,0,0,0,0|0,0,2]=4 1227 B10R1.15 CN(C=O)C1=CC=CC=C1 M106700 [1,1,0,0,0,0|2,0,0]=4 1228 B10R1.15 C[C@H](CO)C1=CC=CC=C1 S489449 [1,1,0,0,0,0|1,0,1]=4 1229 B10R1.15 C\C=C(\C)/C1=CC=CC=C1 C348081 [1,1,0,0,0,0|0,0,2]=4 1230 B10R1.17 C#CCCC1=CC=CC=C1 P160653 [1,1,0,0,0,0|0,0,2]=4 1231 B10R1.17 C#CCOC1=CC=CC=C1 P113824 [1,1,0,0,0,0|0,0,2]=4 1232 B10R1.17 C#CCSC1=CC=CC=C1 P101830 [1,1,0,0,0,0|0,0,2]=4 1233 B10R1.17 C1=CC(=CN=C1)C=CC=O T347360 [1,1,0,0,0,0|1,0,1]=4 1234 B10R1.17 C1=CC=C(C=C1)C#CC=O P138572 [1,1,0,0,0,0|0,0,2]=4 1235 B10R1.17 C1=CC=C(C=C1)C=CC#N C107581 [1,1,0,0,0,0|0,0,2]=4 1236 B10R1.17 C1=CC=C(C=C1)C=CC=O C108630 [1,1,0,0,0,0|0,0,1]=3 1237 B10R1.17 C1=CC=C(C=C1)C=CC=O C108631 [1,1,0,0,0,0|0,0,1]=3 1238 B10R1.17 C1=CC=C(C=C1)C=CC=O C110083 [1,1,0,0,0,0|0,0,1]=3 1239 B10R1.17 C1=CC=C(C=C1)C=CC=O C110084 [1,1,0,0,0,0|0,0,1]=3 1240 B10R1.17 C1=CC=C(C=C1)C=CC=O T421609 [1,1,0,0,0,0|0,0,1]=3 1241 B10R1.17 C1=CC=C(C=C1)C=CCBr B163067 [1,1,0,0,0,0|0,0,2]=4 1242 B10R1.17 C1=CC=C(C=C1)C=CCCl C102165 [1,1,0,0,0,0|0,0,2]=4 1243 B10R1.17 C1=CC=C(C=C1)C=CCO C110605 [1,1,0,0,0,0|0,0,2]=4 1244 B10R1.17 C1=CC=C(C=C1)C=CCO C110606 [1,1,0,0,0,0|0,0,2]=4 1245 B10R1.17 C1=CC=C(C=C1)C=CCO E303728 [1,1,0,0,0,0|0,0,2]=4 1246 B10R1.17 C1=CC=C(C=C1)CCC#N P160077 [1,1,0,0,0,0|0,0,2]=4 1247 B10R1.17 C1=CC=C(C=C1)CCC=O P109695 [1,1,0,0,0,0|0,0,1]=3 1248 B10R1.17 C1=CC=C(C=C1)CCCBr B106986 [1,1,0,0,0,0|0,0,2]=4 1249 B10R1.17 C1=CC=C(C=C1)CCCCl C122445 [1,1,0,0,0,0|0,0,2]=4 1250 B10R1.17 C1=CC=C(C=C1)CCCI I469194 [1,1,0,0,0,0|0,0,2]=4 1251 B10R1.17 C1=CC=C(C=C1)CCCN P109694 [1,1,0,0,0,0|0,0,2]=4 1252 B10R1.17 C1=CC=C(C=C1)CCCN P292870 [1,1,0,0,0,0|0,0,2]=4 1253 B10R1.17 C1=CC=C(C=C1)CCCO P103663 [1,1,0,0,0,0|0,0,2]=4 1254 B10R1.17 C1=CC=C(C=C1)CCNN P132003 [1,1,0,0,0,0|1,0,1]=4 1255 B10R1.17 C1=CC=C(C=C1)CCNN P421872 [1,1,0,0,0,0|1,0,1]=4 1256 B10R1.17 C1=CC=C(C=C1)CN=C=O B133636 [1,1,0,0,0,0|1,0,1]=4 1257 B10R1.17 C1=CC=C(C=C1)CN=C=S B140288 [1,1,0,0,0,0|1,0,1]=4 1258 B10R1.17 C1=CC=C(C=C1)CN=C=S B425154 [1,1,0,0,0,0|1,0,1]=4 1259 B10R1.17 C1=CC=C(C=C1)CN=[N+]=[N-] B189174 [1,1,0,0,0,0|2,0,0]=4 1260 B10R1.17 C1=CC=C(C=C1)CNC=O N159287 [1,1,0,0,0,0|1,0,0]=3 1261 B10R1.17 C1=CC=C(C=C1)COC=O B152855 [1,1,0,0,0,0|1,0,0]=3 1262 B10R1.17 C1=CC=C(C=C1)COCCl B107578 [1,1,0,0,0,0|1,0,1]=4 1263 B10R1.17 C1=CC=C(C=C1)CSC#N B152183 [1,1,0,0,0,0|1,0,1]=4 1264 B10R1.17 C1=CC=C(C=C1)NCC#N P192616 [1,1,0,0,0,0|1,0,1]=4 1265 B10R1.17 C1=CC=C(C=C1)NCCN N159346 [1,1,0,0,0,0|1,0,1]=4 1266 B10R1.17 C1=CC=C(C=C1)NCCO N140440 [1,1,0,0,0,0|1,0,1]=4 1267 B10R1.17 C1=CC=C(C=C1)OCC#N P160111 [1,1,0,0,0,0|1,0,1]=4 1268 B10R1.17 C1=CC=C(C=C1)OCCBr B100876 [1,1,0,0,0,0|1,0,1]=4 1269 B10R1.17 C1=CC=C(C=C1)OCCCl B135225 [1,1,0,0,0,0|1,0,1]=4 1270 B10R1.17 C1=CC=C(C=C1)OCCN P132517 [1,1,0,0,0,0|1,0,1]=4 1271 B10R1.17 C1=CC=C(C=C1)OCCO E109367 [1,1,0,0,0,0|1,0,1]=4 1272 B10R1.17 C1=CC=C(C=C1)OCCO E109368 [1,1,0,0,0,0|1,0,1]=4 1273 B10R1.17 C1=CC=C(C=C1)OCCO E109369 [1,1,0,0,0,0|1,0,1]=4 1274 B10R1.17 C1=CC=C(C=C1)OCCO E109370 [1,1,0,0,0,0|1,0,1]=4 1275 B10R1.17 C1=CC=C(C=C1)OCCO P407596 [1,1,0,0,0,0|1,0,1]=4 1276 B10R1.17 C1=CC=C(C=C1)SCC#N P160109 [1,1,0,0,0,0|1,0,1]=4 1277 B10R1.17 C1=CC=C(C=C1)SCCBr B152504 [1,1,0,0,0,0|1,0,1]=4 1278 B10R1.17 C1=CC=C(C=C1)SCCCl C101832 [1,1,0,0,0,0|1,0,1]=4 1279 B10R1.17 C1=CC=C(C=C1)SCCO P101545 [1,1,0,0,0,0|1,0,1]=4 1280 B10R1.17 C=CC=CC1=CC=CC=C1 P305147 [1,1,0,0,0,0|0,0,1]=3 1281 B10R1.17 C=CCCC1=CC=CC=C1 P160313 [1,1,0,0,0,0|0,0,0]=2 1282 B10R1.17 C=CCNC1=CC=CC=C1 N159240 [1,1,0,0,0,0|0,0,0]=2 1283 B10R1.17 C=CCOC1=CC=CC=C1 A101096 [1,1,0,0,0,0|0,0,0]=2 1284 B10R1.17 C=CCSC1=CC=CC=C1 A140290 [1,1,0,0,0,0|0,0,0]=2 1285 B10R1.17 C=COCC1=CC=CC=C1 B178307 [1,1,0,0,0,0|0,0,0]=2 1286 B10R1.17 CCCCC1=CC=CC=C1 B100020 [1,1,0,0,0,0|0,0,2]=4 1287 B10R1.17 CCCCC1=CC=CC=C1 B100021 [1,1,0,0,0,0|0,0,2]=4 1288 B10R1.17 CCCCC1=CC=CC=C1 B128171 [1,1,0,0,0,0|0,0,2]=4 1289 B10R1.17 CCCOC1=CC=CC=C1 P405762 [1,1,0,0,0,0|0,0,2]=4 1290 B10R1.17 CCNCC1=CC=CC=C1 E113368 [1,1,0,0,0,0|0,0,2]=4 1291 B10R1.17 CCOCC1=CC=CC=C1 E193820 [1,1,0,0,0,0|0,0,2]=4 1292 B10R1.17 CNCCC1=CC=CC=C1 N159074 [1,1,0,0,0,0|0,0,2]=4 1293 B10R1.17 COCCC1=CC=CC=C1 P160567 [1,1,0,0,0,0|0,0,2]=4 1294 B10R1.17 COCSC1=CC=CC=C1 M158419 [1,1,0,0,0,0|1,0,1]=4 1295 B10R1.18 C1=CC(=CN=C1)CC(=O)N P193047 [1,1,0,0,0,0|2,0,0]=4 1296 B10R1.18 C1=CC(=CN=C1)CC(=O)O P107547 [1,1,0,0,0,0|2,0,0]=4 1297 B10R1.18 C1=CC=C(C=C1)CC(=N)N P192301 [1,1,0,0,0,0|1,0,0]=3 1298 B10R1.18 C1=CC=C(C=C1)CC(=O)Cl P109202 [1,1,0,0,0,0|1,0,0]=3 1299 B10R1.18 C1=CC=C(C=C1)CC(=O)N P160461 [1,1,0,0,0,0|1,0,0]=3 1300 B10R1.18 C1=CC=C(C=C1)CC(=O)N P420433 [1,1,0,0,0,0|1,0,0]=3 1301 B10R1.18 C1=CC=C(C=C1)CC(=O)O P346939 [1,1,0,0,0,0|1,0,0]=3 1302 B10R1.18 C1=CC=C(C=C1)CC(=S)N P160307 [1,1,0,0,0,0|1,0,0]=3 1303 B10R1.18 C1=CC=C(C=C1)C[N+](=O)[O-] N171226 [1,1,0,0,0,0|2,0,0]=4 1304 B10R1.18 C1=CC=C(C=C1)N=C(N)N P131885 [1,1,0,0,0,0|2,0,0]=4 1305 B10R1.18 C1=CC=C(C=C1)NC(=O)N P105589 [1,1,0,0,0,0|2,0,0]=4 1306 B10R1.18 C1=CC=C(C=C1)NC(=S)N P110661 [1,1,0,0,0,0|2,0,0]=4 1307 B10R1.18 C1=CC=C(C=C1)OC(=O)Cl P106536 [1,1,0,0,0,0|2,0,0]=4 1308 B10R1.18 C1=CC=C(C=C1)OC(=O)N P300418 [1,1,0,0,0,0|2,0,0]=4 1309 B10R1.18 C1=CC=C(C=C1)OC(=S)Cl P119482 [1,1,0,0,0,0|2,0,0]=4 1310 B10R1.18 C1=CC=C(C=C1)SC(=S)Cl P160306 [1,1,0,0,0,0|2,0,0]=4 1311 B10R1.18 C1=CC=NC(=C1)CC(=O)O P106866 [1,1,0,0,0,0|2,0,0]=4 1312 B10R1.18 C1=CC=[N+](C=C1)CC(=O)N C153758 [1,1,0,0,0,0|2,0,0]=4 1313 B10R1.18 C1=CN=CC=C1CC(=O)O P101990 [1,1,0,0,0,0|2,0,0]=4 1314 B10R1.18 CC(=CC1=CC=CC=C1)C M158507 [1,1,0,0,0,0|0,0,2]=4 1315 B10R1.18 CC(=O)CC1=CC=NC=C1 P134516 [1,1,0,0,0,0|1,0,1]=4 1316 B10R1.18 CC(=O)CC1=CN=CC=C1 A355123 [1,1,0,0,0,0|1,0,1]=4 1317 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 A151480 [1,1,0,0,0,0|1,0,1]=4 1318 B10R1.18 CC(=O)NC1=CC=CC=C1 A103954 [1,1,0,0,0,0|1,0,1]=4 1319 B10R1.18 CC(=O)NC1=CC=CC=C1 A103955 [1,1,0,0,0,0|1,0,1]=4 1320 B10R1.18 CC(=O)NC1=CC=CC=C1 A103956 [1,1,0,0,0,0|1,0,1]=4 1321 B10R1.18 CC(=O)NC1=CC=CC=C1 A103957 [1,1,0,0,0,0|1,0,1]=4 1322 B10R1.18 CC(=O)NC1=CC=CC=C1 A119548 [1,1,0,0,0,0|1,0,1]=4 1323 B10R1.18 CC(=O)OC1=CC=CC=C1 P108579 [1,1,0,0,0,0|1,0,1]=4 1324 B10R1.18 CC(=O)OC1=CC=CC=C1 P342578 [1,1,0,0,0,0|1,0,1]=4 1325 B10R1.18 CC(=O)SC1=CC=CC=C1 P101831 [1,1,0,0,0,0|1,0,1]=4 1326 B10R1.18 CC(=S)NC1=CC=CC=C1 T161816 [1,1,0,0,0,0|1,0,1]=4 1327 B10R1.18 CC(C)CC1=CC=CC=C1 I108918 [1,1,0,0,0,0|0,0,2]=4 1328 B10R1.18 CC(C)CC1=CC=CC=C1 I108919 [1,1,0,0,0,0|0,0,2]=4 1329 B10R1.18 CC(C)CC1=CC=CC=C1 I108920 [1,1,0,0,0,0|0,0,2]=4 1330 B10R1.18 CC(CC1=CC=CC=C1)Br B168545 [1,1,0,0,0,0|0,0,2]=4 1331 B10R1.18 CC(CC1=CC=CC=C1)O P160708 [1,1,0,0,0,0|0,0,2]=4 1332 B10R1.18 CN(C)CC1=CC=CC=C1 D110949 [1,1,0,0,0,0|1,0,1]=4 1333 B10R1.18 CN(C)CC1=CC=CC=C1 D110950 [1,1,0,0,0,0|1,0,1]=4 1334 B10R1.18 CS(=O)CC1=CC=CC=C1 M334699 [1,1,0,0,0,0|1,0,1]=4 1335 B10R1.18 C[Si](C)CC1=CC=CC=C1 B305093 [1,1,0,0,0,0|0,1,1]=4 1336 B12R1.1 CCCCCC1=CC=C(C=C1)O A131897 [0,2,0,0,0,0|0,0,2]=4 1337 B12R1.1 CCCCOC1=CC=C(C=C1)O B152847 [0,2,0,0,0,0|0,0,2]=4 1338 B12R1.16 C=CCC(C1=CC=C(C=C1)Cl)O C468752 [0,2,0,0,0,0|1,0,0]=3 1339 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O H156888 [0,2,0,0,0,0|0,0,2]=4 1340 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S107339 [0,2,0,0,0,0|0,0,2]=4 1341 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S107340 [0,2,0,0,0,0|0,0,2]=4 1342 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S129817 [0,2,0,0,0,0|0,0,2]=4 1343 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S161302 [0,2,0,0,0,0|0,0,2]=4 1344 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S427007 [0,2,0,0,0,0|0,0,2]=4 1345 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 S408033 [0,2,0,0,0,0|0,0,2]=4 1346 B12R1.21 C1=CC(=CC=C1C=CC(=O)Cl)F F102168 [0,2,0,0,0,0|1,0,1]=4 1347 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)Br B104888 [0,2,0,0,0,0|1,0,1]=4 1348 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)Cl C100659 [0,2,0,0,0,0|1,0,1]=4 1349 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)F F101928 [0,2,0,0,0,0|1,0,1]=4 1350 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)N A151768 [0,2,0,0,0,0|1,0,1]=4 1351 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C108514 [0,2,0,0,0,0|0,0,1]=3 1352 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C108515 [0,2,0,0,0,0|0,0,1]=3 1353 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C304525 [0,2,0,0,0,0|0,0,1]=3 1354 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C304526 [0,2,0,0,0,0|0,0,1]=3 1355 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C304527 [0,2,0,0,0,0|0,0,1]=3 1356 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O P424326 [0,2,0,0,0,0|0,0,1]=3 1357 B12R1.21 C1=CC(=CC=C1CCC(=O)O)Br B123074 [0,2,0,0,0,0|1,0,1]=4 1358 B12R1.21 C1=CC(=CC=C1CCC(=O)O)Cl C138442 [0,2,0,0,0,0|1,0,1]=4 1359 B12R1.21 C1=CC(=CC=C1CCC(=O)O)F F156733 [0,2,0,0,0,0|1,0,1]=4 1360 B12R1.21 C1=CC(=CC=C1CCC(=O)O)N A151460 [0,2,0,0,0,0|1,0,1]=4 1361 B12R1.21 C1=CC(=CC=C1CCC(=O)O)O P106355 [0,2,0,0,0,0|0,0,1]=3 1362 B12R1.21 C1=CC(=CC=C1CCC(=O)O)O P424325 [0,2,0,0,0,0|0,0,1]=3 1363 B12R1.21 C1=CC(=CC=C1N)OCC(=O)O A588272 [0,2,0,0,0,0|2,0,0]=4 1364 B12R1.21 C1=CC(=CC=C1N)SCC(=O)O A165606 [0,2,0,0,0,0|2,0,0]=4 1365 B12R1.21 C1=CC(=CC=C1NCC(=O)O)F F169812 [0,2,0,0,0,0|2,0,0]=4 1366 B12R1.21 C1=CC(=CC=C1OCC(=O)Cl)Cl C153889 [0,2,0,0,0,0|2,0,0]=4 1367 B12R1.21 C1=CC(=CC=C1OCC(=O)O)Br B152378 [0,2,0,0,0,0|2,0,0]=4 1368 B12R1.21 C1=CC(=CC=C1OCC(=O)O)Cl C102889 [0,2,0,0,0,0|2,0,0]=4 1369 B12R1.21 C1=CC(=CC=C1OCC(=O)O)Cl C102890 [0,2,0,0,0,0|2,0,0]=4 1370 B12R1.21 C1=CC(=CC=C1OCC(=O)O)F F170192 [0,2,0,0,0,0|2,0,0]=4 1371 B12R1.21 C1=CC(=CC=C1OCC(=O)O)I I120189 [0,2,0,0,0,0|2,0,0]=4 1372 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O H169513 [0,2,0,0,0,0|0,0,1]=3 1373 B12R1.21 CC(=O)CCC1=CC=C(C=C1)O H156889 [0,2,0,0,0,0|0,0,1]=3 1374 B12R1.21 CC(=O)CSC1=CC=C(C=C1)Cl C169088 [0,2,0,0,0,0|1,0,1]=4 1375 B12R1.21 CC(CCC1=CC=C(C=C1)O)O R134727 [0,2,0,0,0,0|0,0,2]=4 1376 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O M100698 [0,2,0,0,0,0|1,0,1]=4 1377 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O P138270 [0,2,0,0,0,0|1,0,1]=4 1378 B12R1.21 CC1=CC=C(C=C1)COC(=O)C M117867 [0,2,0,0,0,0|1,0,1]=4 1379 B12R1.21 CC1=CC=C(C=C1)OCC(=O)O M158250 [0,2,0,0,0,0|2,0,0]=4 1380 B12R1.21 CN(C)CCC1=CC=C(C=C1)O H115723 [0,2,0,0,0,0|0,0,2]=4 1381 B12R1.21 CN(C)CCC1=CC=C(C=C1)O H194142 [0,2,0,0,0,0|0,0,2]=4 1382 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 H408782 [0,2,0,0,0,0|0,0,2]=4 1383 B12R1.49 C1=CC(=CC=C1CC(CO)N)O T117152 [0,2,0,0,0,0|0,0,2]=4 1384 B12R1.49 CC1=CC=C(C=C1)CC(=O)OC M158718 [0,2,0,0,0,0|1,0,1]=4 1385 B12R1.49 CNC(=O)CC1=CC=C(C=C1)O N491195 [0,2,0,0,0,0|0,0,1]=3 1386 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br M176451 [0,2,0,0,0,0|1,0,1]=4 1387 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl M158186 [0,2,0,0,0,0|1,0,1]=4 1388 B12R1.49 COC(=O)CC1=CC=C(C=C1)I M589746 [0,2,0,0,0,0|1,0,1]=4 1389 B12R1.49 COC(=O)CC1=CC=C(C=C1)O M117442 [0,2,0,0,0,0|0,0,1]=3 1390 B12R1.69 CCCCC1=C(C=C(C=C1)O)O B152158 [0,2,0,0,0,0|0,0,2]=4 1391 B12R1.71 C=CCOC1=CC=C(C=C1)C=O A353132 [0,2,0,0,0,0|0,0,1]=3 1392 B12R1.71 CNCCC1=CC=C(C=C1)OC N159070 [0,2,0,0,0,0|0,0,2]=4 1393 B12R1.71 COC1=CC=C(C=C1)C=CC#N M158789 [0,2,0,0,0,0|0,0,2]=4 1394 B12R1.71 COC1=CC=C(C=C1)C=CC=O T135720 [0,2,0,0,0,0|0,0,1]=3 1395 B12R1.71 COC1=CC=C(C=C1)CCC#N M300601 [0,2,0,0,0,0|0,0,2]=4 1396 B12R1.71 COC1=CC=C(C=C1)CCC=O M122414 [0,2,0,0,0,0|0,0,1]=3 1397 B12R1.71 COC1=CC=C(C=C1)CCCBr B341751 [0,2,0,0,0,0|0,0,2]=4 1398 B12R1.71 COC1=CC=C(C=C1)CCCO M134198 [0,2,0,0,0,0|0,0,2]=4 1399 B12R1.71 COC1=CC=C(C=C1)CN=C=O M171017 [0,2,0,0,0,0|1,0,1]=4 1400 B12R1.71 COC1=CC=C(C=C1)CN=C=S M189125 [0,2,0,0,0,0|1,0,1]=4 1401 B12R1.71 COC1=CC=C(C=C1)COC=O A302664 [0,2,0,0,0,0|1,0,0]=3 1402 B12R1.71 COC1=CC=C(C=C1)OCC#N M420004 [0,2,0,0,0,0|1,0,1]=4 1403 B12R1.71 COC1=CC=C(C=C1)OCCN M589303 [0,2,0,0,0,0|1,0,1]=4 1404 B12R1.4 C1=CC(=CC=C1CC(=O)O)C#N C170916 [0,2,0,0,0,0|2,0,0]=4 1405 B12R1.4 C1=CC(=CC=C1CC(=O)O)CBr B138187 [0,2,0,0,0,0|2,0,0]=4 1406 B12R1.4 C1=CC(=CC=C1CC(=O)O)CO H157341 [0,2,0,0,0,0|1,0,0]=3 1407 B12R1.4 CC(=O)CC1=CC=C(C=C1)OC P102234 [0,2,0,0,0,0|0,0,1]=3 1408 B12R1.4 CC(=O)NC1=CC=C(C=C1)CO A346516 [0,2,0,0,0,0|1,0,1]=4 1409 B12R1.4 CC(=O)NC1=CC=C(C=C1)OC P160200 [0,2,0,0,0,0|1,0,1]=4 1410 B12R1.4 COC1=CC=C(C=C1)CC(=O)Cl M163057 [0,2,0,0,0,0|1,0,0]=3 1411 B12R1.4 COC1=CC=C(C=C1)CC(=O)O S115483 [0,2,0,0,0,0|1,0,0]=3 1412 B12R1.4 COC1=CC=C(C=C1)NC(=O)N M158159 [0,2,0,0,0,0|2,0,0]=4 1413 B12R1.4 COC1=CC=C(C=C1)NC(=S)N M158403 [0,2,0,0,0,0|2,0,0]=4 1414 B12R1.4 COC1=CC=C(C=C1)OC(=O)Cl M472627 [0,2,0,0,0,0|2,0,0]=4 1415 B12R1.4 CSC1=CC=C(C=C1)CC(=O)O M101855 [0,2,0,0,0,0|1,1,0]=4 1416 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Br)Cl B590633 [0,2,0,0,0,0|2,0,0]=4 1417 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Br)F B122844 [0,2,0,0,0,0|2,0,0]=4 1418 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Br)O B489539 [0,2,0,0,0,0|1,0,0]=3 1419 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Cl)Cl D113542 [0,2,0,0,0,0|2,0,0]=4 1420 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Cl)F C120930 [0,2,0,0,0,0|2,0,0]=4 1421 B12R1.19 C1=CC(=C(C=C1CC(=O)O)F)Br B188492 [0,2,0,0,0,0|2,0,0]=4 1422 B12R1.19 C1=CC(=C(C=C1CC(=O)O)F)F D122864 [0,2,0,0,0,0|2,0,0]=4 1423 B12R1.19 C1=CC(=C(C=C1CC(=O)O)F)O F184619 [0,2,0,0,0,0|1,0,0]=3 1424 B12R1.19 C1=CC(=C(C=C1CC(=O)O)O)O D106475 [0,2,0,0,0,0|1,0,0]=3 1425 B12R1.19 C1=CC(=C(C=C1CC(=O)O)O)O D420377 [0,2,0,0,0,0|1,0,0]=3 1426 B12R1.19 CC(=O)CC1=CC(=C(C=C1)O)O D169021 [0,2,0,0,0,0|0,0,1]=3 1427 B12R1.19 CC(=O)NC1=CC(=C(C=C1)O)Cl N193187 [0,2,0,0,0,0|1,0,1]=4 1428 B12R1.19 CC1=C(C=C(C=C1)CC(=O)O)C D182074 [0,2,0,0,0,0|2,0,0]=4 1429 B12R1.19 CC1=C(C=C(C=C1)CC(=O)O)F F192398 [0,2,0,0,0,0|2,0,0]=4 1430 B12R1.20 C1=CC(=CC=C1C(C(=O)O)Br)Cl B138689 [0,2,0,0,0,0|2,0,0]=4 1431 B12R1.20 C1=CC(=CC=C1C(C(=O)O)Br)F B469036 [0,2,0,0,0,0|2,0,0]=4 1432 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Br A186179 [0,2,0,0,0,0|2,0,0]=4 1433 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Cl H194523 [0,2,0,0,0,0|2,0,0]=4 1434 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Cl S161342 [0,2,0,0,0,0|2,0,0]=4 1435 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)F F156773 [0,2,0,0,0,0|2,0,0]=4 1436 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)F F336450 [0,2,0,0,0,0|2,0,0]=4 1437 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)O A305005 [0,2,0,0,0,0|1,0,0]=3 1438 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)O H111804 [0,2,0,0,0,0|1,0,0]=3 1439 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)O H157171 [0,2,0,0,0,0|1,0,0]=3 1440 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Br B152295 [0,2,0,0,0,0|2,0,0]=4 1441 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Cl C153313 [0,2,0,0,0,0|2,0,0]=4 1442 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Cl C153759 [0,2,0,0,0,0|2,0,0]=4 1443 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Cl S194966 [0,2,0,0,0,0|2,0,0]=4 1444 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)F F156734 [0,2,0,0,0,0|2,0,0]=4 1445 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)F R472395 [0,2,0,0,0,0|2,0,0]=4 1446 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)O H133163 [0,2,0,0,0,0|1,0,0]=3 1447 B12R1.20 CC(C1=CC=C(C=C1)O)C(=O)O H156996 [0,2,0,0,0,0|1,0,0]=3 1448 B12R1.20 CC1=CC=C(C=C1)C(C(=O)O)N A181169 [0,2,0,0,0,0|2,0,0]=4 1449 B12R1.20 CC1=CC=C(C=C1)C(C)C(=O)O P195954 [0,2,0,0,0,0|2,0,0]=4 1450 B12R1.106 C1=CC(=CC=C1CP(=O)(O)O)O H157412 [0,2,0,0,0,0|2,0,0]=4 1451 B12R1.106 CC(C)(CC1=CC=C(C=C1)O)N P491147 [0,2,0,0,0,0|0,0,2]=4 1452 B12R1.233 C1=CC(=C(C=C1Br)F)CC(=O)O B131710 [0,2,0,0,0,0|2,0,0]=4 1453 B12R1.233 C1=CC(=C(C=C1Cl)Br)CC(=O)O B184998 [0,2,0,0,0,0|2,0,0]=4 1454 B12R1.233 C1=CC(=C(C=C1Cl)Cl)CC(=O)O D113535 [0,2,0,0,0,0|2,0,0]=4 1455 B12R1.233 C1=CC(=C(C=C1Cl)F)CC(=O)O C122857 [0,2,0,0,0,0|2,0,0]=4 1456 B12R1.233 C1=CC(=C(C=C1F)Br)CC(=O)O B185556 [0,2,0,0,0,0|2,0,0]=4 1457 B12R1.233 C1=CC(=C(C=C1F)Cl)CC(=O)O C133158 [0,2,0,0,0,0|2,0,0]=4 1458 B12R1.233 C1=CC(=C(C=C1F)F)CC(=O)O D122860 [0,2,0,0,0,0|2,0,0]=4 1459 B12R1.233 C1=CC(=C(C=C1O)F)CC(=O)O F194600 [0,2,0,0,0,0|1,0,0]=3 1460 B12R1.233 CC1=CC(=C(C=C1)CC(=O)O)F F137620 [0,2,0,0,0,0|2,0,0]=4 1461 B12R1.5 CN(C=O)C1=CC=C(C=C1)OC M158114 [0,2,0,0,0,0|2,0,0]=4 1462 B12R1.9 CCC(C)(C)C1=CC=C(C=C1)O T162418 [0,2,0,0,0,0|0,0,2]=4 1463 B12R1.9 CCC(C)(C)C1=CC=C(C=C1)O T434881 [0,2,0,0,0,0|0,0,2]=4 1464 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O D134211 [0,2,0,0,0,0|1,0,1]=4 1465 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O D424709 [0,2,0,0,0,0|1,0,1]=4 1466 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O L335487 [0,2,0,0,0,0|1,0,1]=4 1467 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O L424417 [0,2,0,0,0,0|1,0,1]=4 1468 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O N107258 [0,2,0,0,0,0|1,0,1]=4 1469 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O N109573 [0,2,0,0,0,0|1,0,1]=4 1470 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O N336285 [0,2,0,0,0,0|1,0,1]=4 1471 B12R1.367 C1=CC(=C(C=C1C(CO)O)O)O R135061 [0,2,0,0,0,0|1,0,1]=4 1472 B12R1.367 C1=CC(=C(C=C1[C@H](CN)O)O)O N301475 [0,2,0,0,0,0|1,0,1]=4 1473 B12R1.367 NCC(O)C1=CC(=C(O)C=C1)O N408442 [0,2,0,0,0,0|1,0,1]=4 1474 B12R1.114 CC1=C(C=CC(=C1)OC)CC#N M192401 [0,2,0,0,0,0|1,0,1]=4 1475 B12R1.1123 C1=C(C(=CC(=C1O)O)O)CCN H135753 [0,2,0,0,0,0|1,0,1]=4 1476 B12R1.1123 C1=C(C(=CC(=C1O)O)O)CCN H197233 [0,2,0,0,0,0|1,0,1]=4 1477 B12R1.1123 C1=C(C(=CC(=C1O)O)O)CCN H425227 [0,2,0,0,0,0|1,0,1]=4 1478 B12R1.113 B(C1=CC=C(C=C1)CC#N)(O)O C139440 [0,2,0,0,0,0|1,0,1]=4 1479 B12R1.113 B(C1=CC=C(C=C1)CCC)(O)O P115546 [0,2,0,0,0,0|0,0,2]=4 1480 B12R1.113 B(C1=CC=C(C=C1)COC)(O)O M183389 [0,2,0,0,0,0|1,0,1]=4 1481 B12R1.113 C1=CC(=CC=C1CC#N)C(=O)O C184848 [0,2,0,0,0,0|1,0,1]=4 1482 B12R1.113 C1=CC(=CC=C1CCBr)C(=O)O B123906 [0,2,0,0,0,0|1,0,1]=4 1483 B12R1.113 CCCC1=CC=C(C=C1)C(=O)O P160279 [0,2,0,0,0,0|0,0,2]=4 1484 B12R1.116 C1=CC(=CC=C1CCO)CCO B133734 [0,2,0,0,0,0|1,0,1]=4 1485 B12R1.116 COCC1=CC=C(C=C1)COC B153001 [0,2,0,0,0,0|1,0,1]=4 1486 B12R1.288 COC1=C(C=C(C=C1)CC#N)Br B151987 [0,2,0,0,0,0|1,0,1]=4 1487 B12R1.288 COC1=C(C=C(C=C1)CC#N)F F303668 [0,2,0,0,0,0|1,0,1]=4 1488 B12R1.288 COC1=C(C=C(C=C1)CCN)O H185776 [0,2,0,0,0,0|1,0,1]=4 1489 B12R1.44 C1=C(C=C(C(=C1O)O)O)CCN H351447 [0,2,0,0,0,0|1,0,1]=4 1490 B12R1.286 CC=CC1=CC(=C(C=C1)O)OC I109576 [0,2,0,0,0,0|0,0,2]=4 1491 B12R1.286 CC=CC1=CC(=C(C=C1)O)OC I109577 [0,2,0,0,0,0|0,0,2]=4 1492 B12R1.286 CC=CC1=CC(=C(C=C1)O)OC I427191 [0,2,0,0,0,0|0,0,2]=4 1493 B12R1.286 CCCC1=CC(=C(C=C1)O)OC M192495 [0,2,0,0,0,0|0,0,2]=4 1494 B12R1.286 COC1=C(C=CC(=C1)CC#N)O H170413 [0,2,0,0,0,0|1,0,1]=4 1495 B12R1.286 COC1=C(C=CC(=C1)CC=C)O E110640 [0,2,0,0,0,0|0,0,0]=2 1496 B12R1.286 COC1=C(C=CC(=C1)CC=C)O E110642 [0,2,0,0,0,0|0,0,0]=2 1497 B12R1.286 COC1=C(C=CC(=C1)CC=C)O E427189 [0,2,0,0,0,0|0,0,0]=2 1498 B12R1.286 COC1=C(C=CC(=C1)CCN)O A303971 [0,2,0,0,0,0|1,0,1]=4 1499 B12R1.286 COC1=C(C=CC(=C1)CCN)O M121758 [0,2,0,0,0,0|1,0,1]=4 1500 B12R1.286 COC1=C(C=CC(=C1)CCN)O M419970 [0,2,0,0,0,0|1,0,1]=4 1501 B12R1.286 COC1=C(C=CC(=C1)CCO)O H168903 [0,2,0,0,0,0|1,0,1]=4 1502 B10R1.20 C=CC1=CC=CC=C1C=C A109917 [0,0,1,1,0,0|1,0,1]=4 1503 B10R1.20 C=CC1=CC=CC=C1C=C D103376 [0,0,1,1,0,0|1,0,1]=4 1504 B10R1.20 C=CC1=CC=CC=C1C=C D103378 [0,0,1,1,0,0|1,0,1]=4 1505 B10R1.20 C=CC1=CC=CC=C1C=C P434560 [0,0,1,1,0,0|1,0,1]=4 1506 B10R1.172 C=CC1=CC(=CC=C1)C=C D302176 [0,0,1,1,0,0|1,0,1]=4 1507 B10R1.172 C=CC1=CC(=CC=C1)C=O V168330 [0,0,1,1,0,0|0,0,2]=4 1508 B10R1.66 C1=COC(=C1)C=CC(=O)O F103094 [0,0,1,1,0,0|2,0,0]=4 1509 B10R1.66 C1=CSC(=C1)C=CC(=O)O T124452 [0,0,1,1,0,0|2,0,0]=4 1510 B10R1.66 C1=CSC(=C1)C=CC(=O)O T162810 [0,0,1,1,0,0|2,0,0]=4 1511 B10R2.31 C1CC2=C1C=CC(=C2)Br B132442 [1,0,0,1,0,0|1,0,1]=4 1512 B10R2.6 C1C(N1)C2=CC=CC=C2 P357784 [1,0,0,1,0,0|1,0,1]=4 1513 B10R2.6 C1C(O1)C2=CC=CC=C2 I132554 [1,0,0,1,0,0|1,0,1]=4 1514 B10R2.6 C1C(O1)C2=CC=CC=C2 I133271 [1,0,0,1,0,0|1,0,1]=4 1515 B10R2.6 C1C(O1)C2=CC=CC=C2 I137101 [1,0,0,1,0,0|1,0,1]=4 1516 B10R2.6 C1C(O1)C2=CC=CC=C2 S106990 [1,0,0,1,0,0|1,0,1]=4 1517 B10R2.6 C1C(O1)C2=CC=CC=C2 S165282 [1,0,0,1,0,0|1,0,1]=4 1518 B10R2.6 C1CC1C2=CC=CC=C2 C300934 [1,0,0,1,0,0|0,0,2]=4 1519 B10R2.7 C1=CC2=C(C=CN2)N=C1 H135749 [1,0,0,1,0,0|2,0,0]=4 1520 B10R2.7 C1=CC2=C(NC=C2)N=C1 A124841 [1,0,0,1,0,0|2,0,0]=4 1521 B10R2.7 C1=CC2=CC=NN2C=C1 P588518 [1,0,0,1,0,0|2,0,0]=4 1522 B10R2.7 C1=CC2=CON=C2C=C1 A151655 [1,0,0,1,0,0|2,0,0]=4 1523 B10R2.7 C1=CC2=NC=CN2C=C1 I124710 [1,0,0,1,0,0|2,0,0]=4 1524 B10R2.7 C1=CC=C2C(=C1)C=CN2 I104724 [1,0,0,1,0,0|1,0,0]=3 1525 B10R2.7 C1=CC=C2C(=C1)C=CN2 I104725 [1,0,0,1,0,0|1,0,0]=3 1526 B10R2.7 C1=CC=C2C(=C1)C=CN2 I104726 [1,0,0,1,0,0|1,0,0]=3 1527 B10R2.7 C1=CC=C2C(=C1)C=CN2 I104728 [1,0,0,1,0,0|1,0,0]=3 1528 B10R2.7 C1=CC=C2C(=C1)C=CN2 I420909 [1,0,0,1,0,0|1,0,0]=3 1529 B10R2.7 C1=CC=C2C(=C1)C=CO2 B107470 [1,0,0,1,0,0|1,0,0]=3 1530 B10R2.7 C1=CC=C2C(=C1)C=CS2 B107023 [1,0,0,1,0,0|1,0,0]=3 1531 B10R2.7 C1=CC=C2C(=C1)C=NN2 I157585 [1,0,0,1,0,0|2,0,0]=4 1532 B10R2.7 C1=CC=C2C(=C1)C=NO2 B151955 [1,0,0,1,0,0|2,0,0]=4 1533 B10R2.7 C1=CC=C2C(=C1)N=CO2 B152628 [1,0,0,1,0,0|2,0,0]=4 1534 B10R2.7 C1=CC=C2C(=C1)N=CS2 B104851 [1,0,0,1,0,0|2,0,0]=4 1535 B10R2.7 C1=CC=C2C(=C1)N=CS2 B104852 [1,0,0,1,0,0|2,0,0]=4 1536 B10R2.7 C1=CC=C2C(=C1)N=CS2 B104854 [1,0,0,1,0,0|2,0,0]=4 1537 B10R2.7 C1=CC=C2C(=C1)NC=N2 B106095 [1,0,0,1,0,0|2,0,0]=4 1538 B10R2.7 C1=CNC2=C1C=CN=C2 A140209 [1,0,0,1,0,0|2,0,0]=4 1539 B10R2.7 C1=CNC2=C1C=NC=C2 P120087 [1,0,0,1,0,0|2,0,0]=4 1540 B10R2.7 C1C2=CC=CC=C2CN1 I102308 [1,0,0,1,0,0|1,0,1]=4 1541 B10R2.7 C1C2=CC=CC=C2CN1 I123491 [1,0,0,1,0,0|1,0,1]=4 1542 B10R2.7 C1C=CC2=CC=CC=C21 I105567 [1,0,0,1,0,0|0,0,0]=2 1543 B10R2.7 C1C=CC2=CC=CC=C21 I105568 [1,0,0,1,0,0|0,0,0]=2 1544 B10R2.7 C1C=CC2=CC=CC=C21 I105569 [1,0,0,1,0,0|0,0,0]=2 1545 B10R2.7 C1CC2=CC=CC=C2C1 I105445 [1,0,0,1,0,0|0,0,2]=4 1546 B10R2.7 C1CNC2=CC=CC=C21 I103557 [1,0,0,1,0,0|1,0,1]=4 1547 B10R2.7 C1COC2=CC=CC=C21 D170588 [1,0,0,1,0,0|1,0,1]=4 1548 B10R2.320 C1C(C2=CC=CC=C21)Br W132718 [1,0,0,1,0,0|1,0,1]=4 1549 B12R2.24 C1=CC(=CC2=C1C=CN=C2)Br B152696 [0,1,0,1,0,0|1,0,1]=4 1550 B12R2.24 C1=CC(=CC2=C1C=CN=C2)O H136867 [0,1,0,1,0,0|0,0,1]=3 1551 B12R2.24 C1=CC2=C(C=C(C=C2)Br)N=C1 B152697 [0,1,0,1,0,0|1,0,1]=4 1552 B12R2.24 C1=CC2=C(C=C(C=C2)Cl)N=C1 C153507 [0,1,0,1,0,0|1,0,1]=4 1553 B12R2.24 C1=CC2=C(C=C(C=C2)N)N=C1 A180566 [0,1,0,1,0,0|1,0,1]=4 1554 B12R2.24 C1=CC2=C(C=C(C=C2)N)N=C1 A185350 [0,1,0,1,0,0|1,0,1]=4 1555 B12R2.24 C1=CC2=C(C=C(C=C2)O)N=C1 H121631 [0,1,0,1,0,0|0,0,1]=3 1556 B12R2.24 C1=CC2=C(C=CC(=C2)Br)N=C1 B101593 [0,1,0,1,0,0|1,0,1]=4 1557 B12R2.24 C1=CC2=C(C=CC(=C2)Cl)N=C1 C136969 [0,1,0,1,0,0|1,0,1]=4 1558 B12R2.24 C1=CC2=C(C=CC(=C2)F)N=C1 F121640 [0,1,0,1,0,0|1,0,1]=4 1559 B12R2.24 C1=CC2=C(C=CC(=C2)I)N=C1 I157528 [0,1,0,1,0,0|1,0,1]=4 1560 B12R2.24 C1=CC2=C(C=CC(=C2)N)N=C1 A115315 [0,1,0,1,0,0|1,0,1]=4 1561 B12R2.24 C1=CC2=C(C=CC(=C2)O)N=C1 H101596 [0,1,0,1,0,0|0,0,1]=3 1562 B12R2.24 C1=CC2=C(C=CN=C2)C=C1Br B134936 [0,1,0,1,0,0|1,0,1]=4 1563 B12R2.24 C1=CC2=C(C=CN=C2)C=C1Cl C407460 [0,1,0,1,0,0|1,0,1]=4 1564 B12R2.24 C1=CC2=C(C=CN=C2)C=C1N I175855 [0,1,0,1,0,0|1,0,1]=4 1565 B12R2.24 C1=CC2=NC=CN=C2C=C1Br B123525 [0,1,0,1,0,0|2,0,0]=4 1566 B12R2.24 C1=CC2=NC=CN=C2C=C1Cl C185120 [0,1,0,1,0,0|2,0,0]=4 1567 B12R2.24 C1=CC2=NC=CN=C2C=C1F F181919 [0,1,0,1,0,0|2,0,0]=4 1568 B12R2.24 C1=CC2=NC=CN=C2C=C1N A102246 [0,1,0,1,0,0|2,0,0]=4 1569 B12R2.24 C1=CC2=NC=CN=C2C=C1O Q160827 [0,1,0,1,0,0|1,0,0]=3 1570 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)O H102245 [0,1,0,1,0,0|1,0,1]=4 1571 B12R2.24 C1=CC=C2C=C(C=CC2=C1)Br B122362 [0,1,0,1,0,0|1,0,1]=4 1572 B12R2.24 C1=CC=C2C=C(C=CC2=C1)Cl C304963 [0,1,0,1,0,0|1,0,1]=4 1573 B12R2.24 C1=CC=C2C=C(C=CC2=C1)I I171169 [0,1,0,1,0,0|1,0,1]=4 1574 B12R2.24 C1=CC=C2C=C(C=CC2=C1)N N113461 [0,1,0,1,0,0|1,0,1]=4 1575 B12R2.24 C1=CC=C2C=C(C=CC2=C1)N N140874 [0,1,0,1,0,0|1,0,1]=4 1576 B12R2.24 C1=CC=C2C=C(C=CC2=C1)O N108421 [0,1,0,1,0,0|0,0,1]=3 1577 B12R2.24 C1=CC=C2C=C(C=CC2=C1)O N108422 [0,1,0,1,0,0|0,0,1]=3 1578 B12R2.24 C1=CC=C2C=C(C=CC2=C1)O N108423 [0,1,0,1,0,0|0,0,1]=3 1579 B12R2.24 C1=CC=C2C=C(C=CC2=C1)O N421336 [0,1,0,1,0,0|0,0,1]=3 1580 B12R2.24 C1=CC=C2C=C(C=CC2=C1)S N101787 [0,1,0,1,0,0|0,1,1]=4 1581 B12R2.24 C1=CC=C2C=C(C=CC2=C1)[NH3+] N493715 [0,1,0,1,0,0|1,0,1]=4 1582 B12R2.24 C1CC2=C(C=C(C=C2)O)NC1 H185355 [0,1,0,1,0,0|0,0,2]=4 1583 B12R2.24 C1CC2=C(C=CC(=C2)O)NC1 H192815 [0,1,0,1,0,0|0,0,2]=4 1584 B12R2.24 C1CCC2=C(C1)C=CC(=C2)O T162495 [0,1,0,1,0,0|0,0,2]=4 1585 B12R2.24 C1CNCC2=C1C=C(C=C2)O H157390 [0,1,0,1,0,0|0,0,2]=4 1586 B12R2.24 C1COC2=C(N1)C=C(C=C2)O D588465 [0,1,0,1,0,0|1,0,1]=4 1587 B12R2.24 C1COC2=C(O1)C=CC(=C2)O D189394 [0,1,0,1,0,0|1,0,1]=4 1588 B12R2.24 CC1=CC2=C(C=C1)C=NC=C2 M184470 [0,1,0,1,0,0|1,0,1]=4 1589 B12R2.24 CC1=CC2=C(C=C1)N=CC=C2 M109545 [0,1,0,1,0,0|1,0,1]=4 1590 B12R2.24 CC1=CC2=C(C=CC=N2)C=C1 M110340 [0,1,0,1,0,0|1,0,1]=4 1591 B12R2.24 CC1=CC2=CC=CC=C2C=C1 M104862 [0,1,0,1,0,0|1,0,1]=4 1592 B12R2.24 CC1=CC2=CC=CC=C2C=C1 M119488 [0,1,0,1,0,0|1,0,1]=4 1593 B12R2.24 CC1=CC2=NC=CN=C2C=C1 M185714 [0,1,0,1,0,0|2,0,0]=4 1594 B12R2.132 C1C(=O)C2=C(O1)C=CC(=C2)Br B193858 [0,1,0,1,0,0|2,0,0]=4 1595 B12R2.132 C1C2=C(C=C(C=C2)Br)C(=O)N1 B177139 [0,1,0,1,0,0|2,0,0]=4 1596 B12R2.132 C1C2=C(C=C(C=C2)Br)C(=O)O1 B182454 [0,1,0,1,0,0|2,0,0]=4 1597 B12R2.132 C1C2=C(C=C(C=C2)Cl)C(=O)N1 C589550 [0,1,0,1,0,0|2,0,0]=4 1598 B12R2.132 C1C2=C(C=C(C=C2)F)C(=O)N1 F588786 [0,1,0,1,0,0|2,0,0]=4 1599 B12R2.132 C1C2=C(C=C(C=C2)F)C(=O)O1 F578892 [0,1,0,1,0,0|2,0,0]=4 1600 B12R2.132 C1C2=C(C=C(C=C2)N)C(=O)O1 A171047 [0,1,0,1,0,0|2,0,0]=4 1601 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)Br B120499 [0,1,0,1,0,0|1,0,1]=4 1602 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)Cl C119759 [0,1,0,1,0,0|1,0,1]=4 1603 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)F F119757 [0,1,0,1,0,0|1,0,1]=4 1604 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)N A479378 [0,1,0,1,0,0|1,0,1]=4 1605 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)O H123324 [0,1,0,1,0,0|0,0,1]=3 1606 B12R2.132 CC1=CC2=C(C=C1)SC=C2C D101865 [0,1,0,1,0,0|2,0,0]=4 1607 B12R2.132 CC1=CC2=C(CCC2=O)C=C1 M123330 [0,1,0,1,0,0|1,0,1]=4 1608 B12R2.132 CC1=CNC2=C1C=C(C=C2)Br B131931 [0,1,0,1,0,0|2,0,0]=4 1609 B12R2.132 CC1=CNC2=C1C=C(C=C2)F F405736 [0,1,0,1,0,0|2,0,0]=4 1610 B12R2.132 CC1=CSC2=C1C=C(C=C2)Cl C101856 [0,1,0,1,0,0|2,0,0]=4 1611 B12R2.606 C1=CC2=C(C=C1Br)C=C(S2)I B356014 [0,1,0,1,0,0|2,0,0]=4 1612 B12R2.606 C1=CC2=C(C=C1O)N=C(S2)N A172351 [0,1,0,1,0,0|2,0,0]=4 1613 B12R2.606 C1=CC2=C(C=C1O)OC(=O)S2 T129829 [0,1,0,1,0,0|2,0,0]=4 1614 B12R2.606 C1=CC2=C(C=C1O)SC(=N2)N A169137 [0,1,0,1,0,0|2,0,0]=4 1615 B12R2.606 C1C(=O)CC2=C1C=CC(=C2)Br B587666 [0,1,0,1,0,0|1,0,1]=4 1616 B12R2.606 C1C2=C(C=C(C=C2)Br)NC1=O B122384 [0,1,0,1,0,0|2,0,0]=4 1617 B12R2.606 C1C2=C(C=C(C=C2)Cl)NC1=O C124834 [0,1,0,1,0,0|2,0,0]=4 1618 B12R2.606 C1C2=C(C=C(C=C2)F)NC1=O F185236 [0,1,0,1,0,0|2,0,0]=4 1619 B12R2.606 C1C2=C(C=CC(=C2)O)NC1=O H183835 [0,1,0,1,0,0|1,0,1]=4 1620 B12R2.606 CC1=CC2=C(C=C1)NC(=C2)C D119112 [0,1,0,1,0,0|2,0,0]=4 1621 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)Cl C124816 [0,1,0,1,0,0|2,0,0]=4 1622 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)F F120085 [0,1,0,1,0,0|2,0,0]=4 1623 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)N A151343 [0,1,0,1,0,0|2,0,0]=4 1624 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)O H123427 [0,1,0,1,0,0|1,0,0]=3 1625 B12R2.606 CC1=NC2=C(O1)C=CC(=C2)O M588349 [0,1,0,1,0,0|1,0,1]=4 1626 B12R2.606 CC1=NC2=C(S1)C=CC(=C2)O M469551 [0,1,0,1,0,0|1,0,1]=4 1627 B12R2.606 OC1=CC=C2SC(=O)OC2=C1 T407841 [0,1,0,1,0,0|2,0,0]=4 1628 B12R2.612 CN1C=CC2=C1C=CC(=C2)Br B165377 [0,1,0,1,0,0|2,0,0]=4 1629 B12R2.612 CN1C=CC2=C1C=CC(=C2)N A178842 [0,1,0,1,0,0|2,0,0]=4 1630 B12R2.612 CN1C=NC2=C1C=CC(=C2)O M184845 [0,1,0,1,0,0|2,0,0]=4 1631 B12R2.246 C1=CNC2=C(C=C(C=C21)Br)Br D169902 [0,1,0,1,0,0|2,0,0]=4 1632 B12R2.246 C1=CNC2=C(C=C(C=C21)Br)N A336371 [0,1,0,1,0,0|2,0,0]=4 1633 B12R2.246 C1=CNC2=C(C=C(C=C21)F)F D176052 [0,1,0,1,0,0|2,0,0]=4 1634 B12R2.246 C1=COC2=C(C=C(C=C21)F)Br B356427 [0,1,0,1,0,0|2,0,0]=4 1635 B12R2.246 CC1=CC(=CC2=C1NN=C2)O H294355 [0,1,0,1,0,0|2,0,0]=4 1636 B12R2.44 C1=CC2=C(C=CN2)C=C1C#N C101133 [0,1,0,1,0,0|2,0,0]=4 1637 B12R2.44 C1=CC2=C(C=CN2)C=C1C=O I115574 [0,1,0,1,0,0|1,0,1]=4 1638 B12R2.44 C1=CC2=C(C=CN2)C=C1CN A136890 [0,1,0,1,0,0|2,0,0]=4 1639 B12R2.44 C1=CC2=C(C=CN2)C=C1CO I179295 [0,1,0,1,0,0|1,0,0]=3 1640 B12R2.44 C1=CC2=C(C=CO2)C=C1C=O B189275 [0,1,0,1,0,0|1,0,1]=4 1641 B12R2.44 C1=CC2=NC=CN2C=C1CO H343689 [0,1,0,1,0,0|2,0,0]=4 1642 B12R2.44 COC1=CC2=C(C=C1)C=CN2 M123429 [0,1,0,1,0,0|1,0,1]=4 1643 B12R2.44 COC1=CC2=C(C=C1)N=CN2 M124712 [0,1,0,1,0,0|2,0,0]=4 1644 B12R2.44 COC1=CC2=C(C=C1)N=CS2 M183487 [0,1,0,1,0,0|2,0,0]=4 1645 B12R2.44 COC1=CC2=C(C=C1)NC=C2 M111475 [0,1,0,1,0,0|1,0,0]=3 1646 B12R2.44 COC1=CN=C2C(=C1)C=CN2 M587790 [0,1,0,1,0,0|2,0,0]=4 1647 B12R2.44 COC1=NC2=C(C=C1)NC=C2 M138367 [0,1,0,1,0,0|2,0,0]=4 1648 B12R2.44 COC1=NC=C2C(=C1)C=CN2 M138368 [0,1,0,1,0,0|2,0,0]=4 1649 B12R2.82 C1=CC(=C(C2=C1NC=C2)Br)Cl B586537 [0,1,0,1,0,0|2,0,0]=4 1650 B12R2.82 C1=CC(=C(C2=C1NC=C2)Cl)Br B588162 [0,1,0,1,0,0|2,0,0]=4 1651 B12R2.82 C1=CC(=C(C2=C1NC=C2)F)Br B176198 [0,1,0,1,0,0|2,0,0]=4 1652 B12R2.82 C1=CC(=C(C2=C1NC=C2)F)F D588395 [0,1,0,1,0,0|2,0,0]=4 1653 B12R2.100 C1=C2C=NNC2=CC(=C1O)Br B172540 [0,1,0,1,0,0|2,0,0]=4 1654 B12R2.100 C1=CNC2=CC(=C(C=C21)Br)Cl B172701 [0,1,0,1,0,0|2,0,0]=4 1655 B12R2.100 C1=CNC2=CC(=C(C=C21)Cl)Cl D155109 [0,1,0,1,0,0|2,0,0]=4 1656 B12R2.100 C1=CNC2=CC(=C(C=C21)F)Br B124806 [0,1,0,1,0,0|2,0,0]=4 1657 B12R2.100 C1=CNC2=CC(=C(C=C21)F)Cl C124361 [0,1,0,1,0,0|2,0,0]=4 1658 B12R2.100 C1=CNC2=CC(=C(C=C21)O)O D183610 [0,1,0,1,0,0|1,0,0]=3 1659 B8R1.8 C=CCN1C=CN=C1 A151399 [1,0,0,0,1,0|2,0,0]=4