0 B10R1.1 CCCc1ccc(cc1)Br H26236 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.1 CCCc1ccc(cc1)I L05767 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.1 CCCc1ccc(cc1)N L03880 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.1 CCCc1ccc(cc1)O A15342 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.1 CCCc1ccc(cc1)[Mg+] H54423 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.1 CCCc1cnc(nc1)Cl H27409 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.1 CCCc1cnc(nc1)S H27239 [0,0,0,0,0,0|3,1,0]=4 7 B10R1.1 CCOc1ccc(cc1)Br B21398 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.1 CCOc1ccc(cc1)I B21644 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.1 CCOc1ccc(cc1)N A10416 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.1 CCOc1ccc(cc1)O B20584 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.1 CCOc1ccc(cn1)Br H27197 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.1 CCOc1ccc(cn1)I H50156 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.1 CCSc1ccc(cc1)Br L13718 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.1 CNCc1ccc(cc1)Br H54506 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.1 CNCc1ccc(cc1)Cl H63294 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.1 CNCc1ccc(cc1)F H54369 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.1 Cc1ccc(cc1)CC#N A12169 [0,0,0,0,0,0|1,0,2]=3 18 B10R1.1 Cc1ccc(cc1)CCO B20918 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.1 Cc1ccc(cc1)N=C=O A13577 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.1 Cc1ccc(cc1)N=C=S A11499 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.1 c1cc(ccc1CC#N)Br A10887 [0,0,0,0,0,0|1,0,2]=3 22 B10R1.1 c1cc(ccc1CC#N)Cl A15295 [0,0,0,0,0,0|1,0,2]=3 23 B10R1.1 c1cc(ccc1CC#N)F A14290 [0,0,0,0,0,0|1,0,2]=3 24 B10R1.1 c1cc(ccc1CC#N)I L15119 [0,0,0,0,0,0|1,0,2]=3 25 B10R1.1 c1cc(ccc1CC#N)N A11304 [0,0,0,0,0,0|1,0,2]=3 26 B10R1.1 c1cc(ccc1CC#N)O A10971 [0,0,0,0,0,0|0,0,2]=2 27 B10R1.1 c1cc(ccc1CCCl)F L16719 [0,0,0,0,0,0|2,0,0]=2 28 B10R1.1 c1cc(ccc1CCN)Br H63706 [0,0,0,0,0,0|1,0,0]=1 29 B10R1.1 c1cc(ccc1CCN)Cl H63081 [0,0,0,0,0,0|1,0,0]=1 30 B10R1.1 c1cc(ccc1CCN)F H61791 [0,0,0,0,0,0|1,0,0]=1 31 B10R1.1 c1cc(ccc1CCN)N L15782 [0,0,0,0,0,0|1,0,0]=1 32 B10R1.1 c1cc(ccc1CCN)O A12220 [0,0,0,0,0,0|0,0,0]=0 33 B10R1.1 c1cc(ccc1CCO)Br A14143 [0,0,0,0,0,0|2,0,0]=2 34 B10R1.1 c1cc(ccc1CCO)F L05618 [0,0,0,0,0,0|2,0,0]=2 35 B10R1.1 c1cc(ccc1CCO)N L15223 [0,0,0,0,0,0|2,0,0]=2 36 B10R1.1 c1cc(ccc1CCO)O A14891 [0,0,0,0,0,0|1,0,0]=1 37 B10R1.1 c1cc(ccc1N=C=O)Br L10834 [0,0,0,0,0,0|3,0,1]=4 38 B10R1.1 c1cc(ccc1N=C=O)Cl A14966 [0,0,0,0,0,0|3,0,1]=4 39 B10R1.1 c1cc(ccc1N=C=O)F A12576 [0,0,0,0,0,0|3,0,1]=4 40 B10R1.1 c1cc(ccc1N=C=O)I L16000 [0,0,0,0,0,0|3,0,1]=4 41 B10R1.1 c1cc(ccc1N=C=S)Br L11101 [0,0,0,0,0,0|3,0,1]=4 42 B10R1.1 c1cc(ccc1N=C=S)Cl A12693 [0,0,0,0,0,0|3,0,1]=4 43 B10R1.1 c1cc(ccc1N=C=S)F A15561 [0,0,0,0,0,0|3,0,1]=4 44 B10R1.1 c1cc(ccc1N=C=S)I L12583 [0,0,0,0,0,0|3,0,1]=4 45 B9R1.1 C#Cc1ccc(cc1)Br L19082 [1,0,0,0,0,0|1,0,2]=4 46 B9R1.1 C#Cc1ccc(cc1)Cl H51058 [1,0,0,0,0,0|1,0,2]=4 47 B9R1.1 C#Cc1ccc(cc1)F H26269 [1,0,0,0,0,0|1,0,2]=4 48 B9R1.1 C=Cc1ccc(cc1)Br A17896 [1,0,0,0,0,0|1,0,2]=4 49 B9R1.1 C=Cc1ccc(cc1)Cl B20512 [1,0,0,0,0,0|1,0,2]=4 50 B9R1.1 C=Cc1ccc(cc1)F A14775 [1,0,0,0,0,0|1,0,2]=4 51 B9R1.1 C=Cc1ccc(cc1)N L11845 [1,0,0,0,0,0|1,0,2]=4 52 B9R1.1 C=Cc1ccc(cc1)O L10902 [1,0,0,0,0,0|0,0,2]=3 53 B9R1.1 CCc1ccc(cc1)Br A13013 [1,0,0,0,0,0|1,0,0]=2 54 B9R1.1 CCc1ccc(cc1)C L02120 [1,0,0,0,0,0|1,0,0]=2 55 B9R1.1 CCc1ccc(cc1)Cl L07931 [1,0,0,0,0,0|1,0,0]=2 56 B9R1.1 CCc1ccc(cc1)F L05940 [1,0,0,0,0,0|1,0,0]=2 57 B9R1.1 CCc1ccc(cc1)I A14138 [1,0,0,0,0,0|1,0,0]=2 58 B9R1.1 CCc1ccc(cc1)N B24652 [1,0,0,0,0,0|1,0,0]=2 59 B9R1.1 CCc1ccc(cc1)O B23433 [1,0,0,0,0,0|0,0,0]=1 60 B9R1.1 CCc1ccc(cc1)S B25026 [1,0,0,0,0,0|0,1,0]=2 61 B9R1.1 CCc1ccc(cc1)[Mg+] H54137 [1,0,0,0,0,0|1,0,0]=2 62 B9R1.1 CCc1ccc(cc1)[Zn+] H58926 [1,0,0,0,0,0|1,0,0]=2 63 B9R1.1 CCc1ccc(nc1)C L06901 [1,0,0,0,0,0|2,0,0]=3 64 B9R1.1 CCc1cnc(nc1)Cl H26856 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.1 CNc1ccc(cc1)Br H55273 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.1 CNc1ccc(cc1)Cl B23962 [1,0,0,0,0,0|2,0,0]=3 67 B9R1.1 CNc1ccc(cc1)F H55105 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.1 CNc1ccc(cc1)O 36674 [1,0,0,0,0,0|1,0,0]=2 69 B9R1.1 CNc1ccc(cc1)O A16236 [1,0,0,0,0,0|1,0,0]=2 70 B9R1.1 COc1cc[n+](cc1)[O-] L04709 [1,0,0,0,0,0|2,0,1]=4 71 B9R1.1 COc1cc[n+](cc1)[O-] L17830 [1,0,0,0,0,0|2,0,1]=4 72 B9R1.1 COc1ccc(cc1)Br A11824 [1,0,0,0,0,0|2,0,0]=3 73 B9R1.1 COc1ccc(cc1)Cl A11377 [1,0,0,0,0,0|2,0,0]=3 74 B9R1.1 COc1ccc(cc1)F B23048 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.1 COc1ccc(cc1)I A12144 [1,0,0,0,0,0|2,0,0]=3 76 B9R1.1 COc1ccc(cc1)N A10946 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.1 COc1ccc(cc1)O A14845 [1,0,0,0,0,0|1,0,0]=2 78 B9R1.1 COc1ccc(cc1)O B23530 [1,0,0,0,0,0|1,0,0]=2 79 B9R1.1 COc1ccc(cc1)S A16009 [1,0,0,0,0,0|1,1,0]=3 80 B9R1.1 COc1ccc(cc1)[Mg+] 89435 [1,0,0,0,0,0|2,0,0]=3 81 B9R1.1 COc1ccc(cc1)[Mg+] H54317 [1,0,0,0,0,0|2,0,0]=3 82 B9R1.1 COc1ccc(cc1)[Mg+] H55397 [1,0,0,0,0,0|2,0,0]=3 83 B9R1.1 COc1ccc(cc1)[Zn+] H58690 [1,0,0,0,0,0|2,0,0]=3 84 B9R1.1 COc1ccc(cn1)Br L20017 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.1 COc1ccc(cn1)Cl H59376 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.1 COc1ccc(cn1)F H30991 [1,0,0,0,0,0|3,0,0]=4 87 B9R1.1 COc1ccc(cn1)I H50135 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.1 COc1ccc(cn1)N H27528 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.1 CSc1ccc(cc1)Br A15504 [1,0,0,0,0,0|2,0,0]=3 90 B9R1.1 CSc1ccc(cc1)Cl A11025 [1,0,0,0,0,0|2,0,0]=3 91 B9R1.1 CSc1ccc(cc1)F L04979 [1,0,0,0,0,0|2,0,0]=3 92 B9R1.1 CSc1ccc(cc1)N L04950 [1,0,0,0,0,0|2,0,0]=3 93 B9R1.1 CSc1ccc(cc1)O H26225 [1,0,0,0,0,0|1,0,0]=2 94 B9R1.1 CSc1ccc(cc1)S L09580 [1,0,0,0,0,0|1,1,0]=3 95 B9R1.1 CSc1ccc(cc1)[Zn+] H58137 [1,0,0,0,0,0|2,0,0]=3 96 B9R1.1 CSc1ccc(cn1)Br H27596 [1,0,0,0,0,0|3,0,0]=4 97 B9R1.1 Cc1ccc(cc1)C#C B24812 [1,0,0,0,0,0|1,0,2]=4 98 B9R1.1 Cc1ccc(cc1)C#N B23029 [1,0,0,0,0,0|1,0,2]=4 99 B9R1.1 Cc1ccc(cc1)C=C L01480 [1,0,0,0,0,0|1,0,2]=4 100 B9R1.1 Cc1ccc(cc1)C=O A11384 [1,0,0,0,0,0|2,0,1]=4 101 B9R1.1 Cc1ccc(cc1)CBr A13297 [1,0,0,0,0,0|2,0,0]=3 102 B9R1.1 Cc1ccc(cc1)CCl A17183 [1,0,0,0,0,0|2,0,0]=3 103 B9R1.1 Cc1ccc(cc1)CN A13768 [1,0,0,0,0,0|1,0,0]=2 104 B9R1.1 Cc1ccc(cc1)CO A15315 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.1 Cc1ccc(cc1)CS A10467 [1,0,0,0,0,0|2,0,0]=3 106 B9R1.1 Cc1ccc(cc1)C[Mg+] H54505 [1,0,0,0,0,0|2,0,0]=3 107 B9R1.1 Cc1ccc(cc1)NN A14220 [1,0,0,0,0,0|2,0,0]=3 108 B9R1.1 Cc1ccc(cc1)OC A11572 [1,0,0,0,0,0|2,0,0]=3 109 B9R1.1 Cc1ccc(cc1)SC L02933 [1,0,0,0,0,0|2,0,0]=3 110 B9R1.1 c1cc(ccc1C#N)Br A10914 [1,0,0,0,0,0|1,0,2]=4 111 B9R1.1 c1cc(ccc1C#N)Cl A14524 [1,0,0,0,0,0|1,0,2]=4 112 B9R1.1 c1cc(ccc1C#N)F A13028 [1,0,0,0,0,0|1,0,2]=4 113 B9R1.1 c1cc(ccc1C#N)I B25104 [1,0,0,0,0,0|1,0,2]=4 114 B9R1.1 c1cc(ccc1C#N)N A13794 [1,0,0,0,0,0|1,0,2]=4 115 B9R1.1 c1cc(ccc1C#N)O A15803 [1,0,0,0,0,0|0,0,2]=3 116 B9R1.1 c1cc(ccc1C#N)[Zn+] H58211 [1,0,0,0,0,0|1,0,2]=4 117 B9R1.1 c1cc(ccc1C=O)Br A14237 [1,0,0,0,0,0|2,0,1]=4 118 B9R1.1 c1cc(ccc1C=O)Cl A12757 [1,0,0,0,0,0|2,0,1]=4 119 B9R1.1 c1cc(ccc1C=O)F A15383 [1,0,0,0,0,0|2,0,1]=4 120 B9R1.1 c1cc(ccc1C=O)I L17448 [1,0,0,0,0,0|2,0,1]=4 121 B9R1.1 c1cc(ccc1C=O)O A13580 [1,0,0,0,0,0|1,0,1]=3 122 B9R1.1 c1cc(ccc1CBr)Br A10892 [1,0,0,0,0,0|2,0,0]=3 123 B9R1.1 c1cc(ccc1CBr)Cl B22858 [1,0,0,0,0,0|2,0,0]=3 124 B9R1.1 c1cc(ccc1CBr)F A10208 [1,0,0,0,0,0|2,0,0]=3 125 B9R1.1 c1cc(ccc1CBr)I A18200 [1,0,0,0,0,0|2,0,0]=3 126 B9R1.1 c1cc(ccc1CCl)Br L11486 [1,0,0,0,0,0|2,0,0]=3 127 B9R1.1 c1cc(ccc1CCl)Cl A14696 [1,0,0,0,0,0|2,0,0]=3 128 B9R1.1 c1cc(ccc1CCl)F A14686 [1,0,0,0,0,0|2,0,0]=3 129 B9R1.1 c1cc(ccc1CN)Br A10979 [1,0,0,0,0,0|1,0,0]=2 130 B9R1.1 c1cc(ccc1CN)Cl A13984 [1,0,0,0,0,0|1,0,0]=2 131 B9R1.1 c1cc(ccc1CN)F A15486 [1,0,0,0,0,0|1,0,0]=2 132 B9R1.1 c1cc(ccc1CN)I L17450 [1,0,0,0,0,0|1,0,0]=2 133 B9R1.1 c1cc(ccc1CN)I L19967 [1,0,0,0,0,0|1,0,0]=2 134 B9R1.1 c1cc(ccc1CO)Br A13197 [1,0,0,0,0,0|2,0,0]=3 135 B9R1.1 c1cc(ccc1CO)Cl A11504 [1,0,0,0,0,0|2,0,0]=3 136 B9R1.1 c1cc(ccc1CO)F A12336 [1,0,0,0,0,0|2,0,0]=3 137 B9R1.1 c1cc(ccc1CO)I L19278 [1,0,0,0,0,0|2,0,0]=3 138 B9R1.1 c1cc(ccc1CO)N A14130 [1,0,0,0,0,0|2,0,0]=3 139 B9R1.1 c1cc(ccc1CO)O A13132 [1,0,0,0,0,0|1,0,0]=2 140 B9R1.1 c1cc(ccc1CS)Br H26299 [1,0,0,0,0,0|2,0,0]=3 141 B9R1.1 c1cc(ccc1CS)Cl A19876 [1,0,0,0,0,0|2,0,0]=3 142 B9R1.1 c1cc(ccc1CS)F A10126 [1,0,0,0,0,0|2,0,0]=3 143 B9R1.1 c1cc(ccc1C[Mg+])Br H60905 [1,0,0,0,0,0|2,0,0]=3 144 B9R1.1 c1cc(ccc1C[Mg+])Cl H54625 [1,0,0,0,0,0|2,0,0]=3 145 B9R1.1 c1cc(ccc1C[Mg+])F H54990 [1,0,0,0,0,0|2,0,0]=3 146 B9R1.1 c1cc(ccc1C[Zn+])Br H58662 [1,0,0,0,0,0|2,0,0]=3 147 B9R1.1 c1cc(ccc1C[Zn+])Cl H58532 [1,0,0,0,0,0|2,0,0]=3 148 B9R1.1 c1cc(ccc1C[Zn+])F H58847 [1,0,0,0,0,0|2,0,0]=3 149 B9R1.1 c1cc(ccc1NN)Br A15590 [1,0,0,0,0,0|2,0,0]=3 150 B9R1.1 c1cc(ccc1NN)Cl A14518 [1,0,0,0,0,0|2,0,0]=3 151 B9R1.1 c1cc(ccc1NN)F A15624 [1,0,0,0,0,0|2,0,0]=3 152 B9R1.1 c1cc(ccc1NN)I L14806 [1,0,0,0,0,0|2,0,0]=3 153 B9R1.1 c1cc(ccc1[N+]#N)Br B25670 [1,0,0,0,0,0|2,0,1]=4 154 B9R1.1 c1cc(ncc1CCl)Cl L19284 [1,0,0,0,0,0|3,0,0]=4 155 B9R1.1 c1cc(ncc1CN)Cl L19283 [1,0,0,0,0,0|2,0,0]=3 156 B9R1.1 c1cc(ncc1CO)Br H61375 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.1 c1cc(ncc1CO)Cl L19285 [1,0,0,0,0,0|3,0,0]=4 158 B9R1.1 c1cc(ncc1CO)N H33416 [1,0,0,0,0,0|3,0,0]=4 159 B9R1.8 C#CCc1ccccc1 H53500 [1,0,0,0,0,0|1,0,1]=3 160 B9R1.8 C=CCc1ccccc1 A12965 [1,0,0,0,0,0|1,0,1]=3 161 B9R1.8 CC#Cc1ccccc1 A14272 [1,0,0,0,0,0|1,0,2]=4 162 B9R1.8 CCCc1ccccc1 B21468 [1,0,0,0,0,0|1,0,0]=2 163 B9R1.8 CCNc1ccccc1 A15060 [1,0,0,0,0,0|2,0,0]=3 164 B9R1.8 CCOc1ccccc1 A15501 [1,0,0,0,0,0|2,0,0]=3 165 B9R1.8 CCOc1ccccn1 L05649 [1,0,0,0,0,0|3,0,0]=4 166 B9R1.8 CCSc1ccccc1 A13987 [1,0,0,0,0,0|2,0,0]=3 167 B9R1.8 CNCc1ccccc1 A13746 [1,0,0,0,0,0|2,0,0]=3 168 B9R1.8 CNCc1cccnc1 H50262 [1,0,0,0,0,0|3,0,0]=4 169 B9R1.8 COCc1ccccc1 B23490 [1,0,0,0,0,0|2,0,0]=3 170 B9R1.8 C\N=C\c1ccccc1 B25161 [1,0,0,0,0,0|2,0,1]=4 171 B9R1.8 c1cc(cnc1)CC#N B24964 [1,0,0,0,0,0|1,0,2]=4 172 B9R1.8 c1cc(cnc1)CCN L16311 [1,0,0,0,0,0|1,0,0]=2 173 B9R1.8 c1cc[n+](cc1)CC#N A14327 [1,0,0,0,0,0|1,0,2]=4 174 B9R1.8 c1ccc(cc1)CC#N A10694 [1,0,0,0,0,0|0,0,2]=3 175 B9R1.8 c1ccc(cc1)CC=O A14263 [1,0,0,0,0,0|1,0,1]=3 176 B9R1.8 c1ccc(cc1)CCBr A12528 [1,0,0,0,0,0|1,0,0]=2 177 B9R1.8 c1ccc(cc1)CCCl L04891 [1,0,0,0,0,0|1,0,0]=2 178 B9R1.8 c1ccc(cc1)CCN A13402 [1,0,0,0,0,0|0,0,0]=1 179 B9R1.8 c1ccc(cc1)CCO A15241 [1,0,0,0,0,0|1,0,0]=2 180 B9R1.8 c1ccc(cc1)CC[Zn+] H58154 [1,0,0,0,0,0|1,0,0]=2 181 B9R1.8 c1ccc(cc1)CNN H54916 [1,0,0,0,0,0|1,0,0]=2 182 B9R1.8 c1ccc(cc1)CON A17393 [1,0,0,0,0,0|1,0,0]=2 183 B9R1.8 c1ccc(cc1)CON L13601 [1,0,0,0,0,0|1,0,0]=2 184 B9R1.8 c1ccc(cc1)N=C=O A12808 [1,0,0,0,0,0|2,0,1]=4 185 B9R1.8 c1ccc(cc1)N=C=S A11596 [1,0,0,0,0,0|2,0,1]=4 186 B9R1.8 c1ccc(cc1)N=S=O H59451 [1,0,0,0,0,0|3,0,0]=4 187 B9R1.8 c1ccc(cc1)NC=O A12472 [1,0,0,0,0,0|2,0,1]=4 188 B9R1.8 c1ccc(cc1)OC=O L00289 [1,0,0,0,0,0|2,0,1]=4 189 B9R1.8 c1ccc(cc1)[Se]C#N L20194 [1,0,0,0,0,0|1,0,2]=4 190 B9R1.8 c1ccc(cc1)\C=C\Br A16986 [1,0,0,0,0,0|1,0,2]=4 191 B9R1.8 c1ccc(cc1)\C=N\O A12053 [1,0,0,0,0,0|2,0,1]=4 192 B9R1.8 c1ccnc(c1)CC#N A13087 [1,0,0,0,0,0|1,0,2]=4 193 B9R1.8 c1ccnc(c1)CCN L05627 [1,0,0,0,0,0|1,0,0]=2 194 B9R1.8 c1ccnc(c1)CCO B23579 [1,0,0,0,0,0|2,0,0]=3 195 B9R1.8 c1cnc(cn1)CCS A13045 [1,0,0,0,0,0|3,0,0]=4 196 B9R1.8 c1cnccc1CC#N B25095 [1,0,0,0,0,0|1,0,2]=4 197 B9R1.8 c1cnccc1CC#N H64588 [1,0,0,0,0,0|1,0,2]=4 198 B9R1.8 c1cnccc1CCN H27545 [1,0,0,0,0,0|1,0,0]=2 199 B9R1.8 c1cnccc1CCO L13780 [1,0,0,0,0,0|2,0,0]=3 200 B11R1.1 CCCC[n+]1ccc(cc1)C H27100 [0,1,0,0,0,0|3,0,0]=4 201 B11R1.1 CCCC[n+]1ccc(cc1)C H27355 [0,1,0,0,0,0|3,0,0]=4 202 B11R1.1 CCCCc1ccc(cc1)Br B23979 [0,1,0,0,0,0|2,0,0]=3 203 B11R1.1 CCCCc1ccc(cc1)Cl B24138 [0,1,0,0,0,0|2,0,0]=3 204 B11R1.1 CCCCc1ccc(cc1)I A14421 [0,1,0,0,0,0|2,0,0]=3 205 B11R1.1 CCCCc1ccc(cc1)N B25234 [0,1,0,0,0,0|2,0,0]=3 206 B11R1.1 CCCCc1ccc(cc1)O A12812 [0,1,0,0,0,0|1,0,0]=2 207 B11R1.1 CCCOc1ccc(cc1)Br A11462 [0,1,0,0,0,0|2,0,0]=3 208 B11R1.1 CCCOc1ccc(cc1)N H55096 [0,1,0,0,0,0|2,0,0]=3 209 B11R1.1 CCCOc1ccc(cc1)O B22266 [0,1,0,0,0,0|1,0,0]=2 210 B11R1.1 CCNCc1ccc(cc1)F H56689 [0,1,0,0,0,0|2,0,0]=3 211 B11R1.1 COCCc1ccc(cc1)O B23548 [0,1,0,0,0,0|1,0,0]=2 212 B11R1.1 Cc1ccc(cc1)CN=C=S L11135 [0,1,0,0,0,0|2,0,1]=4 213 B11R1.1 Cc1ccc(cc1)OCC#N A19926 [0,1,0,0,0,0|1,0,2]=4 214 B11R1.1 c1cc(ccc1CCC#N)O L07934 [0,1,0,0,0,0|0,0,1]=2 215 B11R1.1 c1cc(ccc1CCCO)Br H61118 [0,1,0,0,0,0|2,0,0]=3 216 B11R1.1 c1cc(ccc1CN=C=S)Cl L09579 [0,1,0,0,0,0|2,0,1]=4 217 B11R1.1 c1cc(ccc1CN=C=S)F L12214 [0,1,0,0,0,0|2,0,1]=4 218 B11R1.1 c1cc(ccc1F)SCC#N B20526 [0,1,0,0,0,0|1,0,2]=4 219 B11R1.1 c1cc(ccc1OCC#N)Br H50595 [0,1,0,0,0,0|1,0,2]=4 220 B11R1.1 c1cc(ccc1OCC#N)Cl A15389 [0,1,0,0,0,0|1,0,2]=4 221 B11R1.1 c1cc(ccc1OCCBr)F H52403 [0,1,0,0,0,0|2,0,0]=3 222 B11R1.1 c1cc(ccc1OCCN)F H31410 [0,1,0,0,0,0|1,0,0]=2 223 B11R1.1 c1cc(ccc1OCCO)Cl A14508 [0,1,0,0,0,0|2,0,0]=3 224 B11R1.1 c1cc(ccc1SCC#N)Cl A12319 [0,1,0,0,0,0|1,0,2]=4 225 B11R1.20 CC(=O)Cc1ccc(cc1)Br A19028 [0,1,0,0,0,0|2,0,1]=4 226 B11R1.20 CC(=O)Cc1ccc(cc1)F L11720 [0,1,0,0,0,0|2,0,1]=4 227 B11R1.20 CC(=O)Cc1ccc(cc1)O A18936 [0,1,0,0,0,0|1,0,1]=3 228 B11R1.20 CC(=O)Nc1ccc(cc1)O A11240 [0,1,0,0,0,0|2,0,1]=4 229 B11R1.20 CC(C)Cc1ccc(cc1)[Mg+] H54201 [0,1,0,0,0,0|2,0,0]=3 230 B11R1.20 CC(Cc1ccc(cc1)F)N H51016 [0,1,0,0,0,0|1,0,0]=2 231 B11R1.20 Cc1ccc(cc1)CC(=O)C B24728 [0,1,0,0,0,0|2,0,1]=4 232 B11R1.20 Cc1ccc(cc1)CC(=O)Cl H37997 [0,1,0,0,0,0|2,0,1]=4 233 B11R1.20 Cc1ccc(cc1)CC(=O)O A15129 [0,1,0,0,0,0|2,0,1]=4 234 B11R1.20 Cc1ccc(cc1)CC(=S)N H26278 [0,1,0,0,0,0|1,0,1]=3 235 B11R1.20 Cc1ccc(cc1)NC(=O)N A11150 [0,1,0,0,0,0|2,0,1]=4 236 B11R1.20 Cc1ccc(cc1)NC(=S)N A11098 [0,1,0,0,0,0|2,0,1]=4 237 B11R1.20 c1cc(ccc1CC(=O)Cl)Cl A12530 [0,1,0,0,0,0|2,0,1]=4 238 B11R1.20 c1cc(ccc1CC(=O)Cl)F L19235 [0,1,0,0,0,0|2,0,1]=4 239 B11R1.20 c1cc(ccc1CC(=O)N)O A15266 [0,1,0,0,0,0|0,0,1]=2 240 B11R1.20 c1cc(ccc1CC(=O)O)Br A15325 [0,1,0,0,0,0|2,0,1]=4 241 B11R1.20 c1cc(ccc1CC(=O)O)Cl A14974 [0,1,0,0,0,0|2,0,1]=4 242 B11R1.20 c1cc(ccc1CC(=O)O)F A10646 [0,1,0,0,0,0|2,0,1]=4 243 B11R1.20 c1cc(ccc1CC(=O)O)I L13345 [0,1,0,0,0,0|2,0,1]=4 244 B11R1.20 c1cc(ccc1CC(=O)O)N A14675 [0,1,0,0,0,0|2,0,1]=4 245 B11R1.20 c1cc(ccc1CC(=O)O)O A15018 [0,1,0,0,0,0|1,0,1]=3 246 B11R1.20 c1cc(ccc1CC(=O)O)S H27658 [0,1,0,0,0,0|1,1,1]=4 247 B11R1.20 c1cc(ccc1CC(=S)N)Cl H26864 [0,1,0,0,0,0|1,0,1]=3 248 B11R1.20 c1cc(ccc1N)OC(F)F B20349 [0,1,0,0,0,0|3,0,0]=4 249 B11R1.20 c1cc(ccc1NC(=O)N)Br L11074 [0,1,0,0,0,0|2,0,1]=4 250 B11R1.20 c1cc(ccc1NC(=O)N)Cl B25090 [0,1,0,0,0,0|2,0,1]=4 251 B11R1.20 c1cc(ccc1NC(=O)N)F L01314 [0,1,0,0,0,0|2,0,1]=4 252 B11R1.20 c1cc(ccc1NC(=S)N)Br L11163 [0,1,0,0,0,0|2,0,1]=4 253 B11R1.20 c1cc(ccc1NC(=S)N)Cl A12651 [0,1,0,0,0,0|2,0,1]=4 254 B11R1.20 c1cc(ccc1NC(=S)N)F L11159 [0,1,0,0,0,0|2,0,1]=4 255 B11R1.20 c1cc(ccc1NC(=S)N)O L12537 [0,1,0,0,0,0|1,0,1]=3 256 B11R1.20 c1cc(ccc1OC(F)F)Br B20106 [0,1,0,0,0,0|3,0,0]=4 257 B11R1.22 CCC(=O)c1ccc(cc1)Br A14349 [0,1,0,0,0,0|2,0,1]=4 258 B11R1.22 CCC(=O)c1ccc(cc1)C B21673 [0,1,0,0,0,0|2,0,1]=4 259 B11R1.22 CCC(=O)c1ccc(cc1)Cl A11633 [0,1,0,0,0,0|2,0,1]=4 260 B11R1.22 CCC(=O)c1ccc(cc1)F A16219 [0,1,0,0,0,0|2,0,1]=4 261 B11R1.22 CCC(=O)c1ccc(cc1)O A15314 [0,1,0,0,0,0|1,0,1]=3 262 B11R1.22 COC(=O)c1ccc(cc1)O A14289 [0,1,0,0,0,0|2,0,1]=4 263 B11R1.22 Cc1ccc(cc1)C(=O)CBr B25217 [0,1,0,0,0,0|2,0,1]=4 264 B11R1.22 Cc1ccc(cc1)C(=O)NN A12604 [0,1,0,0,0,0|2,0,1]=4 265 B11R1.22 c1cc(ccc1C(=O)CBr)Br A13687 [0,1,0,0,0,0|2,0,1]=4 266 B11R1.22 c1cc(ccc1C(=O)CBr)Cl A12607 [0,1,0,0,0,0|2,0,1]=4 267 B11R1.22 c1cc(ccc1C(=O)CBr)F A15319 [0,1,0,0,0,0|2,0,1]=4 268 B11R1.22 c1cc(ccc1C(=O)CCl)Cl A15954 [0,1,0,0,0,0|2,0,1]=4 269 B11R1.22 c1cc(ccc1C(=O)CCl)F B22188 [0,1,0,0,0,0|2,0,1]=4 270 B11R1.22 c1cc(ccc1C(=O)CN)Br L04292 [0,1,0,0,0,0|1,0,1]=3 271 B11R1.22 c1cc(ccc1C(=O)NN)Br A18918 [0,1,0,0,0,0|2,0,1]=4 272 B11R1.22 c1cc(ccc1C(=O)NN)Cl A11911 [0,1,0,0,0,0|2,0,1]=4 273 B11R1.22 c1cc(ccc1C(=O)NN)F H53496 [0,1,0,0,0,0|2,0,1]=4 274 B11R1.22 c1cc(ccc1C(=O)NN)N A10963 [0,1,0,0,0,0|2,0,1]=4 275 B11R1.22 c1cc(ccc1C(=O)NN)O A12702 [0,1,0,0,0,0|1,0,1]=3 276 B11R1.22 c1cc(ccc1\C(=N\O)\N)O H52148 [0,1,0,0,0,0|2,0,1]=4 277 B11R1.81 CNCc1ccc(cc1Cl)Cl H63409 [0,1,0,0,0,0|3,0,0]=4 278 B11R1.81 Cc1cc(ccc1CC#N)F H32892 [0,1,0,0,0,0|1,0,2]=4 279 B11R1.81 c1cc(c(cc1Cl)Cl)CC#N A12873 [0,1,0,0,0,0|1,0,2]=4 280 B11R1.81 c1cc(c(cc1Cl)Cl)CCO H64345 [0,1,0,0,0,0|2,0,0]=3 281 B11R1.81 c1cc(c(cc1Cl)F)CC#N H32697 [0,1,0,0,0,0|1,0,2]=4 282 B11R1.81 c1cc(c(cc1F)Cl)CC#N B23132 [0,1,0,0,0,0|1,0,2]=4 283 B11R1.81 c1cc(c(cc1F)F)CC#N B20525 [0,1,0,0,0,0|1,0,2]=4 284 B11R1.83 C#Cc1ccc(cc1)CC#N H61122 [0,1,0,0,0,0|1,0,2]=4 285 B11R1.83 CCCc1ccc(cc1)C#C B25065 [0,1,0,0,0,0|2,0,0]=3 286 B11R1.83 CCOc1ccc(cc1)C#N A19806 [0,1,0,0,0,0|3,0,0]=4 287 B11R1.83 CCOc1ccc(cc1)C=C L07209 [0,1,0,0,0,0|3,0,0]=4 288 B11R1.83 CCOc1ccc(cc1)C=O A11987 [0,1,0,0,0,0|2,0,1]=4 289 B11R1.83 CCOc1ccc(cc1)CO A10331 [0,1,0,0,0,0|2,0,0]=3 290 B11R1.83 CCSc1ccc(cc1)C=O L17624 [0,1,0,0,0,0|2,0,1]=4 291 B11R1.83 CCc1ccc(cc1)CC#N L10855 [0,1,0,0,0,0|1,0,2]=4 292 B11R1.83 CCc1ccc(nc1)CCO L19482 [0,1,0,0,0,0|3,0,0]=4 293 B11R1.83 CNCc1ccc(cc1)C#N H63890 [0,1,0,0,0,0|3,0,0]=4 294 B11R1.83 CNCc1ccc(cc1)OC H55776 [0,1,0,0,0,0|2,0,0]=3 295 B11R1.83 COc1ccc(cc1)CC#N A15056 [0,1,0,0,0,0|0,0,2]=3 296 B11R1.83 COc1ccc(cc1)CC=C B23311 [0,1,0,0,0,0|1,0,1]=3 297 B11R1.83 COc1ccc(cc1)CCO L06158 [0,1,0,0,0,0|1,0,0]=2 298 B11R1.83 COc1ccc(cc1)CC[Mg+] H54945 [0,1,0,0,0,0|1,0,0]=2 299 B11R1.83 COc1ccc(cc1)CON H63312 [0,1,0,0,0,0|1,0,0]=2 300 B11R1.83 COc1ccc(cc1)N=C=O A16805 [0,1,0,0,0,0|2,0,1]=4 301 B11R1.83 COc1ccc(cc1)N=C=S A15331 [0,1,0,0,0,0|2,0,1]=4 302 B11R1.83 C\C=C\c1ccc(cc1)OC A13482 [0,1,0,0,0,0|1,0,2]=4 303 B11R1.83 c1cc(ccc1CC#N)C#N H54112 [0,1,0,0,0,0|1,0,2]=4 304 B11R1.83 c1cc(ccc1CCO)C#N 41283 [0,1,0,0,0,0|2,0,0]=3 305 B11R1.192 CCOc1ccc(c(c1)F)F B25590 [0,1,0,0,0,0|3,0,0]=4 306 B11R1.192 CCOc1ccc(c(c1)F)N H33706 [0,1,0,0,0,0|3,0,0]=4 307 B11R1.192 c1cc(c(cc1CC#N)Br)F H62260 [0,1,0,0,0,0|1,0,2]=4 308 B11R1.192 c1cc(c(cc1CC#N)Cl)Cl A11382 [0,1,0,0,0,0|1,0,2]=4 309 B11R1.192 c1cc(c(cc1CC#N)F)Br H61205 [0,1,0,0,0,0|1,0,2]=4 310 B11R1.192 c1cc(c(cc1CC#N)F)F A17893 [0,1,0,0,0,0|1,0,2]=4 311 B11R1.192 c1cc(c(cc1CCN)O)O A11136 [0,1,0,0,0,0|0,0,0]=1 312 B11R1.192 c1cc(c(cc1CCO)Cl)F H32291 [0,1,0,0,0,0|2,0,0]=3 313 B11R1.192 c1cc(c(cc1CCO)F)F H31710 [0,1,0,0,0,0|2,0,0]=3 314 B11R1.192 c1cc(c(cc1\C=N\O)O)O L17766 [0,1,0,0,0,0|2,0,1]=4 315 B11R2.34 c1cc(ccc1C2CO2)Br H26818 [0,0,0,1,0,0|2,0,0]=3 316 B11R2.34 c1cc(ccc1C2CO2)Cl H26516 [0,0,0,1,0,0|2,0,0]=3 317 B11R2.34 c1cc(ccc1C2CO2)F H26600 [0,0,0,1,0,0|2,0,0]=3 318 B11R2.34 c1cc(ccc1[C@@H]2CO2)F H33603 [0,0,0,1,0,0|2,0,0]=3 319 B11R2.36 Cc1ccc2cc[nH]c2c1 L17509 [0,0,0,1,0,0|1,0,2]=4 320 B11R2.36 c1cc(cc2c1cc[nH]2)Br L17703 [0,0,0,1,0,0|1,0,2]=4 321 B11R2.36 c1cc(cc2c1cc[nH]2)Cl B23650 [0,0,0,1,0,0|1,0,2]=4 322 B11R2.36 c1cc(cc2c1cc[nH]2)F B24633 [0,0,0,1,0,0|1,0,2]=4 323 B11R2.36 c1cc(cc2c1cc[nH]2)N L17793 [0,0,0,1,0,0|1,0,2]=4 324 B11R2.36 c1cc(cc2c1cc[nH]2)O H55951 [0,0,0,1,0,0|0,0,2]=3 325 B11R2.36 c1cc2c(cc1Br)CCN2 L16992 [0,0,0,1,0,0|3,0,0]=4 326 B11R2.36 c1cc2c(cc1Br)OCO2 A17906 [0,0,0,1,0,0|3,0,0]=4 327 B11R2.36 c1cc2c(cc1Cl)OCO2 B22534 [0,0,0,1,0,0|3,0,0]=4 328 B11R2.36 c1cc2c(cc1F)CCN2 H54158 [0,0,0,1,0,0|3,0,0]=4 329 B11R2.36 c1cc2c(cc1N)CCC2 L02504 [0,0,0,1,0,0|2,0,0]=3 330 B11R2.36 c1cc2c(cc1N)CCO2 H33344 [0,0,0,1,0,0|3,0,0]=4 331 B11R2.36 c1cc2c(cc1N)OCO2 A12975 [0,0,0,1,0,0|3,0,0]=4 332 B11R2.36 c1cc2c(cc1O)CCC2 L01623 [0,0,0,1,0,0|1,0,0]=2 333 B11R2.36 c1cc2c(cc1O)OCO2 A10453 [0,0,0,1,0,0|2,0,0]=3 334 B11R2.36 c1cc2c(cc1[Mg+])OCO2 H54632 [0,0,0,1,0,0|3,0,0]=4 335 B11R2.36 c1cc2c(cc[nH]2)cc1O L00858 [0,0,0,1,0,0|2,0,1]=4 336 B11R2.36 c1cc2cn[nH]c2cc1Br H32623 [0,0,0,1,0,0|2,0,1]=4 337 B11R2.36 c1cc2cn[nH]c2cc1Cl H37529 [0,0,0,1,0,0|2,0,1]=4 338 B8R1.2 C#Cc1ccccc1 A12139 [2,0,0,0,0,0|0,0,2]=4 339 B8R1.2 C=Cc1ccccc1 16199 [2,0,0,0,0,0|0,0,2]=4 340 B8R1.2 C=Cc1ccccc1 A18481 [2,0,0,0,0,0|0,0,2]=4 341 B8R1.2 CC[n+]1ccccc1 A17911 [2,0,0,0,0,0|1,0,0]=3 342 B8R1.2 CCc1ccccc1 L05908 [2,0,0,0,0,0|0,0,0]=2 343 B8R1.2 CCc1ccccn1 A17352 [2,0,0,0,0,0|1,0,0]=3 344 B8R1.2 CCc1cccnc1 B20318 [2,0,0,0,0,0|1,0,0]=3 345 B8R1.2 CCc1ccncc1 A12883 [2,0,0,0,0,0|1,0,0]=3 346 B8R1.2 CCc1cnccn1 A12759 [2,0,0,0,0,0|2,0,0]=4 347 B8R1.2 CNc1ccccc1 L13873 [2,0,0,0,0,0|1,0,0]=3 348 B8R1.2 CNc1ccccn1 B23589 [2,0,0,0,0,0|2,0,0]=4 349 B8R1.2 CNc1cccnc1 H63602 [2,0,0,0,0,0|2,0,0]=4 350 B8R1.2 CNc1ccncc1 L19626 [2,0,0,0,0,0|2,0,0]=4 351 B8R1.2 COc1ccccc1 A12997 [2,0,0,0,0,0|1,0,0]=3 352 B8R1.2 COc1ccccn1 A13675 [2,0,0,0,0,0|2,0,0]=4 353 B8R1.2 COc1ccncc1 L19625 [2,0,0,0,0,0|2,0,0]=4 354 B8R1.2 CSc1ccccc1 A14846 [2,0,0,0,0,0|1,0,0]=3 355 B8R1.2 C[NH2+]c1ccccc1 A17781 [2,0,0,0,0,0|1,0,0]=3 356 B8R1.2 [2H]Oc1ccccc1 H51100 [2,0,0,0,0,0|2,0,0]=4 357 B8R1.2 [C-]#Cc1ccccc1 17538 [2,0,0,0,0,0|0,0,2]=4 358 B8R1.2 c1cc(cnc1)CCl A13279 [2,0,0,0,0,0|2,0,0]=4 359 B8R1.2 c1cc(cnc1)CN B23634 [2,0,0,0,0,0|1,0,0]=3 360 B8R1.2 c1cc(cnc1)CO A10381 [2,0,0,0,0,0|2,0,0]=4 361 B8R1.2 c1ccc(cc1)C#N 10004 [2,0,0,0,0,0|0,0,2]=4 362 B8R1.2 c1ccc(cc1)C#N 10006 [2,0,0,0,0,0|0,0,2]=4 363 B8R1.2 c1ccc(cc1)C#N A11173 [2,0,0,0,0,0|0,0,2]=4 364 B8R1.2 c1ccc(cc1)C=O 30749 [2,0,0,0,0,0|1,0,1]=4 365 B8R1.2 c1ccc(cc1)C=O A10348 [2,0,0,0,0,0|1,0,1]=4 366 B8R1.2 c1ccc(cc1)C=O L19475 [2,0,0,0,0,0|1,0,1]=4 367 B8R1.2 c1ccc(cc1)CBr A13535 [2,0,0,0,0,0|1,0,0]=3 368 B8R1.2 c1ccc(cc1)CCl A12481 [2,0,0,0,0,0|1,0,0]=3 369 B8R1.2 c1ccc(cc1)CN A10997 [2,0,0,0,0,0|0,0,0]=2 370 B8R1.2 c1ccc(cc1)CN L04102 [2,0,0,0,0,0|0,0,0]=2 371 B8R1.2 c1ccc(cc1)CN L19471 [2,0,0,0,0,0|0,0,0]=2 372 B8R1.2 c1ccc(cc1)CO 41218 [2,0,0,0,0,0|1,0,0]=3 373 B8R1.2 c1ccc(cc1)CO L03292 [2,0,0,0,0,0|1,0,0]=3 374 B8R1.2 c1ccc(cc1)CO L19592 [2,0,0,0,0,0|1,0,0]=3 375 B8R1.2 c1ccc(cc1)CS 44466 [2,0,0,0,0,0|1,0,0]=3 376 B8R1.2 c1ccc(cc1)CS B20081 [2,0,0,0,0,0|1,0,0]=3 377 B8R1.2 c1ccc(cc1)C[Mg+] 87299 [2,0,0,0,0,0|1,0,0]=3 378 B8R1.2 c1ccc(cc1)C[Mg+] H51154 [2,0,0,0,0,0|1,0,0]=3 379 B8R1.2 c1ccc(cc1)C[Zn+] H58014 [2,0,0,0,0,0|1,0,0]=3 380 B8R1.2 c1ccc(cc1)I=O B24531 [2,0,0,0,0,0|2,0,0]=4 381 B8R1.2 c1ccc(cc1)NN A11246 [2,0,0,0,0,0|1,0,0]=3 382 B8R1.2 c1ccc(cc1)NN A14645 [2,0,0,0,0,0|1,0,0]=3 383 B8R1.2 c1ccc(cc1)[As]=O A14674 [2,0,0,0,0,0|2,0,0]=4 384 B8R1.2 c1ccc(cc1)[Se]Br A11906 [2,0,0,0,0,0|2,0,0]=4 385 B8R1.2 c1ccc(cc1)[Se]Cl A12751 [2,0,0,0,0,0|2,0,0]=4 386 B8R1.2 c1ccnc(c1)CCl A10226 [2,0,0,0,0,0|2,0,0]=4 387 B8R1.2 c1ccnc(c1)CN B23208 [2,0,0,0,0,0|1,0,0]=3 388 B8R1.2 c1ccnc(c1)CO A15005 [2,0,0,0,0,0|2,0,0]=4 389 B8R1.2 c1cnccc1CCl A12859 [2,0,0,0,0,0|2,0,0]=4 390 B8R1.2 c1cnccc1CN L06345 [2,0,0,0,0,0|1,0,0]=3 391 B8R1.2 c1cnccc1CO A14698 [2,0,0,0,0,0|2,0,0]=4 392 B8R1.2 c1cncnc1CN H32582 [2,0,0,0,0,0|2,0,0]=4 393 B8R1.3 C1=CC(=O)C=CC1=O A13162 [2,0,0,0,0,0|1,0,1]=4 394 B8R1.3 Cc1cc[n+](cc1)[O-] A17330 [2,0,0,0,0,0|1,0,1]=4 395 B8R1.3 Cc1ccc(cc1)Br A15843 [2,0,0,0,0,0|1,0,0]=3 396 B8R1.3 Cc1ccc(cc1)C A10534 [2,0,0,0,0,0|1,0,0]=3 397 B8R1.3 Cc1ccc(cc1)Cl L04672 [2,0,0,0,0,0|1,0,0]=3 398 B8R1.3 Cc1ccc(cc1)F A10365 [2,0,0,0,0,0|1,0,0]=3 399 B8R1.3 Cc1ccc(cc1)I A15631 [2,0,0,0,0,0|1,0,0]=3 400 B8R1.3 Cc1ccc(cc1)N A13698 [2,0,0,0,0,0|1,0,0]=3 401 B8R1.3 Cc1ccc(cc1)O A13531 [2,0,0,0,0,0|0,0,0]=2 402 B8R1.3 Cc1ccc(cc1)S B24970 [2,0,0,0,0,0|0,1,0]=3 403 B8R1.3 Cc1ccc(cc1)[S-] H55095 [2,0,0,0,0,0|0,1,0]=3 404 B8R1.3 Cc1ccc(cc1)[Zn+] H58338 [2,0,0,0,0,0|1,0,0]=3 405 B8R1.3 Cc1ccc(cn1)Br H27085 [2,0,0,0,0,0|2,0,0]=4 406 B8R1.3 Cc1ccc(cn1)N H27431 [2,0,0,0,0,0|2,0,0]=4 407 B8R1.3 Cc1ccc(cn1)O B25014 [2,0,0,0,0,0|1,0,0]=3 408 B8R1.3 Cc1ccc(cn1)[Zn+] H58043 [2,0,0,0,0,0|2,0,0]=4 409 B8R1.3 Cc1ccc(nc1)Br B25083 [2,0,0,0,0,0|2,0,0]=4 410 B8R1.3 Cc1ccc(nc1)Cl H59145 [2,0,0,0,0,0|2,0,0]=4 411 B8R1.3 Cc1ccc(nc1)F L12241 [2,0,0,0,0,0|2,0,0]=4 412 B8R1.3 Cc1ccc(nc1)N A13330 [2,0,0,0,0,0|2,0,0]=4 413 B8R1.3 Cc1ccc(nc1)O L19528 [2,0,0,0,0,0|1,0,0]=3 414 B8R1.3 Cc1ccc(nc1)[Zn+] H58645 [2,0,0,0,0,0|2,0,0]=4 415 B8R1.3 c1cc(ccc1Br)Br A10517 [2,0,0,0,0,0|2,0,0]=4 416 B8R1.3 c1cc(ccc1Br)I A13859 [2,0,0,0,0,0|2,0,0]=4 417 B8R1.3 c1cc(ccc1Cl)Br A12160 [2,0,0,0,0,0|2,0,0]=4 418 B8R1.3 c1cc(ccc1Cl)Cl A16290 [2,0,0,0,0,0|2,0,0]=4 419 B8R1.3 c1cc(ccc1Cl)I A13459 [2,0,0,0,0,0|2,0,0]=4 420 B8R1.3 c1cc(ccc1Cl)[Zn+] H58740 [2,0,0,0,0,0|2,0,0]=4 421 B8R1.3 c1cc(ccc1F)Br A11630 [2,0,0,0,0,0|2,0,0]=4 422 B8R1.3 c1cc(ccc1F)Cl A13690 [2,0,0,0,0,0|2,0,0]=4 423 B8R1.3 c1cc(ccc1F)F A16217 [2,0,0,0,0,0|2,0,0]=4 424 B8R1.3 c1cc(ccc1F)I A12008 [2,0,0,0,0,0|2,0,0]=4 425 B8R1.3 c1cc(ccc1F)S A17600 [2,0,0,0,0,0|1,1,0]=4 426 B8R1.3 c1cc(ccc1F)[Mg+] H51169 [2,0,0,0,0,0|2,0,0]=4 427 B8R1.3 c1cc(ccc1F)[Zn+] H58780 [2,0,0,0,0,0|2,0,0]=4 428 B8R1.3 c1cc(ccc1I)I A15335 [2,0,0,0,0,0|2,0,0]=4 429 B8R1.3 c1cc(ccc1N)Br A15126 [2,0,0,0,0,0|1,0,0]=3 430 B8R1.3 c1cc(ccc1N)Cl A12879 [2,0,0,0,0,0|1,0,0]=3 431 B8R1.3 c1cc(ccc1N)Cl L13744 [2,0,0,0,0,0|1,0,0]=3 432 B8R1.3 c1cc(ccc1N)F A15597 [2,0,0,0,0,0|1,0,0]=3 433 B8R1.3 c1cc(ccc1N)I B21936 [2,0,0,0,0,0|1,0,0]=3 434 B8R1.3 c1cc(ccc1N)N A10638 [2,0,0,0,0,0|1,0,0]=3 435 B8R1.3 c1cc(ccc1N)N A12659 [2,0,0,0,0,0|1,0,0]=3 436 B8R1.3 c1cc(ccc1N)N A15680 [2,0,0,0,0,0|1,0,0]=3 437 B8R1.3 c1cc(ccc1N)O A13581 [2,0,0,0,0,0|0,0,0]=2 438 B8R1.3 c1cc(ccc1N)S A14082 [2,0,0,0,0,0|0,1,0]=3 439 B8R1.3 c1cc(ccc1O)Br A14873 [2,0,0,0,0,0|1,0,0]=3 440 B8R1.3 c1cc(ccc1O)Cl A15602 [2,0,0,0,0,0|1,0,0]=3 441 B8R1.3 c1cc(ccc1O)F A11945 [2,0,0,0,0,0|1,0,0]=3 442 B8R1.3 c1cc(ccc1O)I A13455 [2,0,0,0,0,0|1,0,0]=3 443 B8R1.3 c1cc(ccc1O)O A11411 [2,0,0,0,0,0|1,0,0]=3 444 B8R1.3 c1cc(ccc1O)O A16681 [2,0,0,0,0,0|1,0,0]=3 445 B8R1.3 c1cc(ccc1O)S L04429 [2,0,0,0,0,0|1,0,0]=3 446 B8R1.3 c1cc(ccc1S)Br A10555 [2,0,0,0,0,0|1,1,0]=4 447 B8R1.3 c1cc(ccc1S)Cl B23838 [2,0,0,0,0,0|1,1,0]=4 448 B8R1.3 c1cc(ccc1S)S L19440 [2,0,0,0,0,0|1,1,0]=4 449 B8R1.3 c1cc(ccc1[Mg+])Cl H51163 [2,0,0,0,0,0|2,0,0]=4 450 B8R1.3 c1cc(ccc1[Zn+])Br H58429 [2,0,0,0,0,0|2,0,0]=4 451 B8R1.3 c1cc(ncc1Br)N A14280 [2,0,0,0,0,0|2,0,0]=4 452 B8R1.3 c1cc(ncc1Br)O B25267 [2,0,0,0,0,0|2,0,0]=4 453 B8R1.3 c1cc(ncc1Cl)N A12063 [2,0,0,0,0,0|2,0,0]=4 454 B8R1.3 c1cc(ncc1Cl)O A11914 [2,0,0,0,0,0|2,0,0]=4 455 B8R1.3 c1cc(ncc1F)N L20010 [2,0,0,0,0,0|2,0,0]=4 456 B8R1.3 c1cc(ncc1I)N B25175 [2,0,0,0,0,0|2,0,0]=4 457 B8R1.3 c1cc(ncc1I)O L20044 [2,0,0,0,0,0|2,0,0]=4 458 B8R1.3 c1cc(ncc1N)Br L20008 [2,0,0,0,0,0|2,0,0]=4 459 B8R1.3 c1cc(ncc1N)Cl B25336 [2,0,0,0,0,0|2,0,0]=4 460 B8R1.3 c1cc(ncc1N)F H30872 [2,0,0,0,0,0|2,0,0]=4 461 B8R1.3 c1cc(ncc1N)I H27793 [2,0,0,0,0,0|2,0,0]=4 462 B8R1.3 c1cc(ncc1N)N L05599 [2,0,0,0,0,0|2,0,0]=4 463 B8R1.3 c1cc(ncc1N)O H27961 [2,0,0,0,0,0|1,0,0]=3 464 B8R1.3 c1cc(ncc1O)Br H27228 [2,0,0,0,0,0|2,0,0]=4 465 B8R1.3 c1cc(ncc1O)Cl L17701 [2,0,0,0,0,0|2,0,0]=4 466 B8R1.3 c1cc(ncc1O)F H27741 [2,0,0,0,0,0|2,0,0]=4 467 B10R1.3 C1=CC(=NO)C=CC1=NO A17532 [1,1,0,0,0,0|2,0,0]=4 468 B10R1.3 CCc1ccc(cc1)C#C H26313 [1,1,0,0,0,0|1,0,0]=3 469 B10R1.3 CCc1ccc(cc1)C#N L07921 [1,1,0,0,0,0|1,0,0]=3 470 B10R1.3 CCc1ccc(cc1)C=O B20645 [1,1,0,0,0,0|0,0,1]=3 471 B10R1.3 CCc1ccc(cc1)CC A13343 [1,1,0,0,0,0|1,0,0]=3 472 B10R1.3 CCc1ccc(cc1)CCl H27900 [1,1,0,0,0,0|1,0,0]=3 473 B10R1.3 CCc1ccc(cc1)CO H30459 [1,1,0,0,0,0|0,0,0]=2 474 B10R1.3 CCc1ccc(cc1)OC A10391 [1,1,0,0,0,0|0,0,0]=2 475 B10R1.3 CNc1ccc(cc1)C#N H65148 [1,1,0,0,0,0|2,0,0]=4 476 B10R1.3 CNc1ccc(cc1)OC H65272 [1,1,0,0,0,0|1,0,0]=3 477 B10R1.3 COc1ccc(cc1)C#C H26283 [1,1,0,0,0,0|0,0,2]=4 478 B10R1.3 COc1ccc(cc1)C#N A15945 [1,1,0,0,0,0|0,0,2]=4 479 B10R1.3 COc1ccc(cc1)C=C B22353 [1,1,0,0,0,0|0,0,2]=4 480 B10R1.3 COc1ccc(cc1)C=O A15364 [1,1,0,0,0,0|1,0,1]=4 481 B10R1.3 COc1ccc(cc1)CN A14999 [1,1,0,0,0,0|0,0,0]=2 482 B10R1.3 COc1ccc(cc1)CO A15559 [1,1,0,0,0,0|1,0,0]=3 483 B10R1.3 COc1ccc(cc1)CS B22542 [1,1,0,0,0,0|1,0,0]=3 484 B10R1.3 COc1ccc(cc1)C[Mg+] H54078 [1,1,0,0,0,0|1,0,0]=3 485 B10R1.3 COc1ccc(cc1)NN L06076 [1,1,0,0,0,0|1,0,0]=3 486 B10R1.3 COc1ccc(cc1)OC A12822 [1,1,0,0,0,0|1,0,0]=3 487 B10R1.3 COc1ccc(cc1)[N+]#N H55827 [1,1,0,0,0,0|1,0,1]=4 488 B10R1.3 CSc1ccc(cc1)C#N L08979 [1,1,0,0,0,0|2,0,0]=4 489 B10R1.3 CSc1ccc(cc1)C=O B25427 [1,1,0,0,0,0|1,0,1]=4 490 B10R1.3 CSc1ccc(cc1)CCl L19877 [1,1,0,0,0,0|1,1,0]=4 491 B10R1.3 CSc1ccc(cc1)CO B22455 [1,1,0,0,0,0|1,0,0]=3 492 B10R1.3 c1cc(ccc1C#N)NN B22157 [1,1,0,0,0,0|2,0,0]=4 493 B10R1.3 c1cc(ccc1CBr)C#N B20641 [1,1,0,0,0,0|2,0,0]=4 494 B10R1.3 c1cc(ccc1CBr)CBr A13939 [1,1,0,0,0,0|2,0,0]=4 495 B10R1.3 c1cc(ccc1CCl)C#N B22138 [1,1,0,0,0,0|2,0,0]=4 496 B10R1.3 c1cc(ccc1CCl)CCl A13976 [1,1,0,0,0,0|2,0,0]=4 497 B10R1.3 c1cc(ccc1CN)C#N H27473 [1,1,0,0,0,0|1,0,0]=3 498 B10R1.3 c1cc(ccc1CN)CN L02995 [1,1,0,0,0,0|1,0,0]=3 499 B10R1.3 c1cc(ccc1CO)C#N H54283 [1,1,0,0,0,0|0,0,2]=4 500 B10R1.3 c1cc(ccc1CO)CO A14405 [1,1,0,0,0,0|1,0,0]=3 501 B10R1.13 B(c1ccc(cc1)O)(O)O L15594 [1,1,0,0,0,0|2,0,0]=4 502 B10R1.13 CC(=C)c1ccc(cc1)Cl A14913 [1,1,0,0,0,0|1,0,1]=4 503 B10R1.13 CC(=C)c1ccc(cc1)F A14147 [1,1,0,0,0,0|1,0,1]=4 504 B10R1.13 CC(=O)c1ccc(cc1)Br A12222 [1,1,0,0,0,0|1,0,1]=4 505 B10R1.13 CC(=O)c1ccc(cc1)Cl A12115 [1,1,0,0,0,0|1,0,1]=4 506 B10R1.13 CC(=O)c1ccc(cc1)F A13950 [1,1,0,0,0,0|1,0,1]=4 507 B10R1.13 CC(=O)c1ccc(cc1)I A16794 [1,1,0,0,0,0|1,0,1]=4 508 B10R1.13 CC(=O)c1ccc(cc1)N A13213 [1,1,0,0,0,0|1,0,1]=4 509 B10R1.13 CC(=O)c1ccc(cc1)O A11974 [1,1,0,0,0,0|0,0,1]=3 510 B10R1.13 CC(C)c1ccc(cc1)Br A13370 [1,1,0,0,0,0|1,0,0]=3 511 B10R1.13 CC(C)c1ccc(cc1)I B25476 [1,1,0,0,0,0|1,0,0]=3 512 B10R1.13 CC(C)c1ccc(cc1)N A14646 [1,1,0,0,0,0|1,0,0]=3 513 B10R1.13 CC(C)c1ccc(cc1)O B22620 [1,1,0,0,0,0|0,0,0]=2 514 B10R1.13 CC(C)c1ccc(cc1)S A16038 [1,1,0,0,0,0|0,1,0]=3 515 B10R1.13 CC(C)c1ccc(cc1)[Mg+] H54594 [1,1,0,0,0,0|1,0,0]=3 516 B10R1.13 CC(c1ccc(cc1)Br)N L11848 [1,1,0,0,0,0|1,0,0]=3 517 B10R1.13 CC(c1ccc(cc1)Br)O B23561 [1,1,0,0,0,0|1,0,0]=3 518 B10R1.13 CC(c1ccc(cc1)Cl)O L05038 [1,1,0,0,0,0|1,0,0]=3 519 B10R1.13 CC(c1ccc(cc1)F)N L04575 [1,1,0,0,0,0|1,0,0]=3 520 B10R1.13 CC(c1ccc(cc1)F)O B22097 [1,1,0,0,0,0|1,0,0]=3 521 B10R1.13 CC(c1ccc(cc1)N)O L03341 [1,1,0,0,0,0|1,0,0]=3 522 B10R1.13 CC(c1ccc(cc1)O)N H63700 [1,1,0,0,0,0|0,0,0]=2 523 B10R1.13 CN(C)c1ccc(cc1)Br A10854 [1,1,0,0,0,0|2,0,0]=4 524 B10R1.13 CN(C)c1ccc(cc1)N A10343 [1,1,0,0,0,0|2,0,0]=4 525 B10R1.13 CN(C)c1ccc(cc1)N A14175 [1,1,0,0,0,0|2,0,0]=4 526 B10R1.13 CN(C)c1ccc(cc1)N A15962 [1,1,0,0,0,0|2,0,0]=4 527 B10R1.13 C[C@@H](c1ccc(cc1)Br)N L20080 [1,1,0,0,0,0|1,0,0]=3 528 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N H66715 [1,1,0,0,0,0|1,0,0]=3 529 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N L19052 [1,1,0,0,0,0|1,0,0]=3 530 B10R1.13 C[C@@H](c1ccc(cc1)F)N L19121 [1,1,0,0,0,0|1,0,0]=3 531 B10R1.13 C[C@@H](c1ccc(cc1)O)N H63269 [1,1,0,0,0,0|0,0,0]=2 532 B10R1.13 C[C@H](c1ccc(cc1)Br)N L20079 [1,1,0,0,0,0|1,0,0]=3 533 B10R1.13 C[C@H](c1ccc(cc1)Cl)N L19119 [1,1,0,0,0,0|1,0,0]=3 534 B10R1.13 C[C@H](c1ccc(cc1)F)N L19120 [1,1,0,0,0,0|1,0,0]=3 535 B10R1.13 C[C@H](c1ccc(cc1)O)N H63001 [1,1,0,0,0,0|0,0,0]=2 536 B10R1.13 Cc1ccc(cc1)C(=C)C H31739 [1,1,0,0,0,0|1,0,1]=4 537 B10R1.13 Cc1ccc(cc1)C(=O)C A14469 [1,1,0,0,0,0|1,0,1]=4 538 B10R1.13 Cc1ccc(cc1)C(=O)N A11559 [1,1,0,0,0,0|1,0,1]=4 539 B10R1.13 Cc1ccc(cc1)C(=S)N B20320 [1,1,0,0,0,0|1,0,1]=4 540 B10R1.13 Cc1ccc(cc1)C(C)C A19226 [1,1,0,0,0,0|1,0,0]=3 541 B10R1.13 Cc1ccc(cc1)C(C)O B20832 [1,1,0,0,0,0|1,0,0]=3 542 B10R1.13 Cc1ccc(cc1)N(C)C A11988 [1,1,0,0,0,0|2,0,0]=4 543 B10R1.13 Cc1ccc(cc1)[C@@H](C)N L16328 [1,1,0,0,0,0|1,0,0]=3 544 B10R1.13 Cc1ccc(cc1)[C@H](C)N L16329 [1,1,0,0,0,0|1,0,0]=3 545 B10R1.13 c1cc(ccc1C(=N)N)Br H37831 [1,1,0,0,0,0|1,0,1]=4 546 B10R1.13 c1cc(ccc1C(=N)N)Cl A11571 [1,1,0,0,0,0|1,0,1]=4 547 B10R1.13 c1cc(ccc1C(=N)N)F H61570 [1,1,0,0,0,0|1,0,1]=4 548 B10R1.13 c1cc(ccc1C(=N)N)N L14089 [1,1,0,0,0,0|1,0,1]=4 549 B10R1.13 c1cc(ccc1C(=N)N)O H31566 [1,1,0,0,0,0|0,0,1]=3 550 B10R1.13 c1cc(ccc1C(=O)N)Br B24348 [1,1,0,0,0,0|1,0,1]=4 551 B10R1.13 c1cc(ccc1C(=O)N)Cl A13809 [1,1,0,0,0,0|1,0,1]=4 552 B10R1.13 c1cc(ccc1C(=O)N)F L06831 [1,1,0,0,0,0|1,0,1]=4 553 B10R1.13 c1cc(ccc1C(=O)N)N A12594 [1,1,0,0,0,0|1,0,1]=4 554 B10R1.13 c1cc(ccc1C(=O)N)O B24222 [1,1,0,0,0,0|0,0,1]=3 555 B10R1.13 c1cc(ccc1C(=O)O)O A13700 [1,1,0,0,0,0|1,0,1]=4 556 B10R1.13 c1cc(ccc1C(=O)[O-])O H56590 [1,1,0,0,0,0|1,0,1]=4 557 B10R1.13 c1cc(ccc1C(=S)N)Br H55956 [1,1,0,0,0,0|1,0,1]=4 558 B10R1.13 c1cc(ccc1C(=S)N)Cl A12021 [1,1,0,0,0,0|1,0,1]=4 559 B10R1.13 c1cc(ccc1C(=S)N)F H32093 [1,1,0,0,0,0|1,0,1]=4 560 B10R1.13 c1cc(ccc1C(=S)N)N H51849 [1,1,0,0,0,0|1,0,1]=4 561 B10R1.13 c1cc(ccc1C(=S)N)O H32780 [1,1,0,0,0,0|0,0,1]=3 562 B10R1.13 c1cc(ccc1C(F)F)Br H33941 [1,1,0,0,0,0|2,0,0]=4 563 B10R1.13 c1cc(ccc1C(F)F)Cl H34035 [1,1,0,0,0,0|2,0,0]=4 564 B10R1.13 c1cc(ccc1[N+](=O)[O-])O A14376 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.25 CCc1ccc(cc1O)O B21575 [1,1,0,0,0,0|0,0,0]=2 566 B10R1.25 CCc1ccc(nc1N)C A19048 [1,1,0,0,0,0|2,0,0]=4 567 B10R1.25 CNc1ccc(cc1F)F A15778 [1,1,0,0,0,0|2,0,0]=4 568 B10R1.25 COc1ccc(cc1Br)Br A16200 [1,1,0,0,0,0|2,0,0]=4 569 B10R1.25 COc1ccc(cc1Br)F A11040 [1,1,0,0,0,0|2,0,0]=4 570 B10R1.25 COc1ccc(cc1Cl)Cl B20042 [1,1,0,0,0,0|2,0,0]=4 571 B10R1.25 COc1ccc(cc1Cl)F B25136 [1,1,0,0,0,0|2,0,0]=4 572 B10R1.25 COc1ccc(cc1F)Br A10948 [1,1,0,0,0,0|2,0,0]=4 573 B10R1.25 COc1ccc(cc1F)F B21509 [1,1,0,0,0,0|2,0,0]=4 574 B10R1.25 COc1ccc(cc1F)N A18606 [1,1,0,0,0,0|2,0,0]=4 575 B10R1.25 COc1ccc(cc1F)[Mg+] H54027 [1,1,0,0,0,0|2,0,0]=4 576 B10R1.25 COc1ccc(cc1I)Cl A13840 [1,1,0,0,0,0|2,0,0]=4 577 B10R1.25 COc1ccc(cc1N)Br B25693 [1,1,0,0,0,0|2,0,0]=4 578 B10R1.25 COc1ccc(cc1N)Cl A12887 [1,1,0,0,0,0|2,0,0]=4 579 B10R1.25 COc1ccc(cc1N)Cl A14244 [1,1,0,0,0,0|2,0,0]=4 580 B10R1.25 COc1ccc(cc1N)F H32525 [1,1,0,0,0,0|2,0,0]=4 581 B10R1.25 COc1ccc(cc1N)I B25557 [1,1,0,0,0,0|2,0,0]=4 582 B10R1.25 COc1ccc(cc1O)N L10234 [1,1,0,0,0,0|2,0,0]=4 583 B10R1.25 COc1ccc(cc1[Mg+])Cl H54501 [1,1,0,0,0,0|2,0,0]=4 584 B10R1.25 COc1ccc(cc1[Mg+])F H54083 [1,1,0,0,0,0|2,0,0]=4 585 B10R1.25 COc1ccc(cc1[Zn+])Cl H58435 [1,1,0,0,0,0|2,0,0]=4 586 B10R1.25 Cc1cc(ccc1CBr)F H26849 [1,1,0,0,0,0|2,0,0]=4 587 B10R1.25 Cc1cc(ccc1CN)F H26624 [1,1,0,0,0,0|1,0,0]=3 588 B10R1.25 Cc1cc(ccc1CO)Cl H27554 [1,1,0,0,0,0|2,0,0]=4 589 B10R1.25 Cc1cc(ccc1CO)F H32364 [1,1,0,0,0,0|2,0,0]=4 590 B10R1.25 Cc1cc(ccc1OC)Br B21621 [1,1,0,0,0,0|2,0,0]=4 591 B10R1.25 Cc1cc(ccc1OC)Cl B24261 [1,1,0,0,0,0|2,0,0]=4 592 B10R1.25 Cc1cc(ccc1OC)F A16031 [1,1,0,0,0,0|2,0,0]=4 593 B10R1.25 Cc1cc(ccc1SC)O L07353 [1,1,0,0,0,0|1,0,0]=3 594 B10R1.25 Cc1ccc(c(c1)C)CCl L02810 [1,1,0,0,0,0|2,0,0]=4 595 B10R1.25 Cc1ccc(c(c1)C)CO L02899 [1,1,0,0,0,0|2,0,0]=4 596 B10R1.25 Cc1ccc(c(c1)C)NN B21009 [1,1,0,0,0,0|2,0,0]=4 597 B10R1.25 Cc1ccc(c(c1)F)CBr H26440 [1,1,0,0,0,0|2,0,0]=4 598 B10R1.25 Cc1ccc(c(c1)F)CN H26267 [1,1,0,0,0,0|1,0,0]=3 599 B10R1.25 Cc1ccc(c(c1)F)OC H26194 [1,1,0,0,0,0|2,0,0]=4 600 B10R1.25 Cc1ccc(c(c1)O)OC L09044 [1,1,0,0,0,0|2,0,0]=4 601 B10R1.25 c1cc(c(cc1Br)Br)CO H64741 [1,1,0,0,0,0|2,0,0]=4 602 B10R1.25 c1cc(c(cc1Br)F)CBr B21331 [1,1,0,0,0,0|2,0,0]=4 603 B10R1.25 c1cc(c(cc1Br)F)CCl L18680 [1,1,0,0,0,0|2,0,0]=4 604 B10R1.25 c1cc(c(cc1Br)F)CN A15654 [1,1,0,0,0,0|1,0,0]=3 605 B10R1.25 c1cc(c(cc1Br)F)CO L18679 [1,1,0,0,0,0|2,0,0]=4 606 B10R1.25 c1cc(c(cc1Br)F)C[Mg+] H54540 [1,1,0,0,0,0|2,0,0]=4 607 B10R1.25 c1cc(c(cc1Br)F)C[Zn+] H58746 [1,1,0,0,0,0|2,0,0]=4 608 B10R1.25 c1cc(c(cc1Cl)Cl)CCl A11435 [1,1,0,0,0,0|2,0,0]=4 609 B10R1.25 c1cc(c(cc1Cl)Cl)CN A13207 [1,1,0,0,0,0|1,0,0]=3 610 B10R1.25 c1cc(c(cc1Cl)Cl)CO A13338 [1,1,0,0,0,0|2,0,0]=4 611 B10R1.25 c1cc(c(cc1Cl)Cl)CS B24999 [1,1,0,0,0,0|2,0,0]=4 612 B10R1.25 c1cc(c(cc1Cl)Cl)C[Mg+] H54159 [1,1,0,0,0,0|2,0,0]=4 613 B10R1.25 c1cc(c(cc1Cl)Cl)NN A10943 [1,1,0,0,0,0|2,0,0]=4 614 B10R1.25 c1cc(c(cc1Cl)F)CBr H26814 [1,1,0,0,0,0|2,0,0]=4 615 B10R1.25 c1cc(c(cc1Cl)F)CN H26352 [1,1,0,0,0,0|1,0,0]=3 616 B10R1.25 c1cc(c(cc1Cl)F)CN L13488 [1,1,0,0,0,0|1,0,0]=3 617 B10R1.25 c1cc(c(cc1Cl)F)C[Mg+] H54480 [1,1,0,0,0,0|2,0,0]=4 618 B10R1.25 c1cc(c(cc1F)Br)CBr H62157 [1,1,0,0,0,0|2,0,0]=4 619 B10R1.25 c1cc(c(cc1F)Br)CN H62200 [1,1,0,0,0,0|1,0,0]=3 620 B10R1.25 c1cc(c(cc1F)Br)CO H61850 [1,1,0,0,0,0|2,0,0]=4 621 B10R1.25 c1cc(c(cc1F)Cl)CBr B23565 [1,1,0,0,0,0|2,0,0]=4 622 B10R1.25 c1cc(c(cc1F)Cl)CCl L13850 [1,1,0,0,0,0|2,0,0]=4 623 B10R1.25 c1cc(c(cc1F)Cl)CN L12957 [1,1,0,0,0,0|1,0,0]=3 624 B10R1.25 c1cc(c(cc1F)Cl)C[Mg+] H54799 [1,1,0,0,0,0|2,0,0]=4 625 B10R1.25 c1cc(c(cc1F)F)CBr A15213 [1,1,0,0,0,0|2,0,0]=4 626 B10R1.25 c1cc(c(cc1F)F)CCl H26783 [1,1,0,0,0,0|2,0,0]=4 627 B10R1.25 c1cc(c(cc1F)F)CN B20985 [1,1,0,0,0,0|1,0,0]=3 628 B10R1.25 c1cc(c(cc1F)F)CO A19945 [1,1,0,0,0,0|2,0,0]=4 629 B10R1.25 c1cc(c(cc1F)F)C[Mg+] H54966 [1,1,0,0,0,0|2,0,0]=4 630 B10R1.25 c1cc(c(cc1F)F)C[Zn+] H58036 [1,1,0,0,0,0|2,0,0]=4 631 B10R1.25 c1cc(c(cc1F)F)NN A11625 [1,1,0,0,0,0|2,0,0]=4 632 B10R1.25 c1cc(c(cc1O)Cl)C=O H55771 [1,1,0,0,0,0|1,0,1]=4 633 B10R1.25 c1cc(c(cc1O)F)C#N B21535 [1,1,0,0,0,0|0,0,2]=4 634 B10R1.25 c1cc(c(cc1O)F)C=O H26218 [1,1,0,0,0,0|1,0,1]=4 635 B10R1.25 c1cc(c(cc1O)O)C=O A12868 [1,1,0,0,0,0|1,0,1]=4 636 B10R1.176 CCc1ccc(c(c1)O)O A12048 [1,1,0,0,0,0|0,0,0]=2 637 B10R1.176 CNc1ccc(c(c1)Cl)Cl L10631 [1,1,0,0,0,0|2,0,0]=4 638 B10R1.176 COc1ccc(c(c1)Br)Cl A18660 [1,1,0,0,0,0|2,0,0]=4 639 B10R1.176 COc1ccc(c(c1)Cl)Cl A17242 [1,1,0,0,0,0|2,0,0]=4 640 B10R1.176 COc1ccc(c(c1)Cl)F B22425 [1,1,0,0,0,0|2,0,0]=4 641 B10R1.176 COc1ccc(c(c1)Cl)O A16652 [1,1,0,0,0,0|1,0,0]=3 642 B10R1.176 COc1ccc(c(c1)F)Br H27319 [1,1,0,0,0,0|2,0,0]=4 643 B10R1.176 COc1ccc(c(c1)F)F A12474 [1,1,0,0,0,0|2,0,0]=4 644 B10R1.176 COc1ccc(c(c1)F)N H32885 [1,1,0,0,0,0|2,0,0]=4 645 B10R1.176 COc1ccc(c(c1)N)Cl L13490 [1,1,0,0,0,0|2,0,0]=4 646 B10R1.176 COc1ccc(c(c1)N)Cl L20162 [1,1,0,0,0,0|2,0,0]=4 647 B10R1.176 COc1ccc(c(c1)N)N A12363 [1,1,0,0,0,0|2,0,0]=4 648 B10R1.176 COc1ccc(c(c1)N)N A15557 [1,1,0,0,0,0|2,0,0]=4 649 B10R1.176 COc1ccc(c(c1)N)O H33724 [1,1,0,0,0,0|1,0,0]=3 650 B10R1.176 Cc1cc(ccc1Br)OC A12318 [1,1,0,0,0,0|2,0,0]=4 651 B10R1.176 Cc1cc(ccc1Cl)OC B23825 [1,1,0,0,0,0|2,0,0]=4 652 B10R1.176 Cc1cc(ccc1F)CBr H26681 [1,1,0,0,0,0|2,0,0]=4 653 B10R1.176 Cc1cc(ccc1F)CN H26598 [1,1,0,0,0,0|1,0,0]=3 654 B10R1.176 Cc1cc(ccc1F)OC A18694 [1,1,0,0,0,0|2,0,0]=4 655 B10R1.176 Cc1cc(ccc1N)OC L14910 [1,1,0,0,0,0|2,0,0]=4 656 B10R1.176 Cc1cc(ccc1[Mg+])OC H54554 [1,1,0,0,0,0|2,0,0]=4 657 B10R1.176 Cc1ccc(cc1C)CN H50280 [1,1,0,0,0,0|1,0,0]=3 658 B10R1.176 Cc1ccc(cc1C)CO B24926 [1,1,0,0,0,0|2,0,0]=4 659 B10R1.176 Cc1ccc(cc1C)NN A13027 [1,1,0,0,0,0|2,0,0]=4 660 B10R1.176 Cc1ccc(cc1C)OC B22735 [1,1,0,0,0,0|2,0,0]=4 661 B10R1.176 Cc1ccc(cc1Cl)CO 43819 [1,1,0,0,0,0|2,0,0]=4 662 B10R1.176 Cc1ccc(cc1Cl)NN B22053 [1,1,0,0,0,0|2,0,0]=4 663 B10R1.176 Cc1ccc(cc1Cl)OC H27401 [1,1,0,0,0,0|2,0,0]=4 664 B10R1.176 Cc1ccc(cc1F)CBr H26349 [1,1,0,0,0,0|2,0,0]=4 665 B10R1.176 Cc1ccc(cc1F)CN L19171 [1,1,0,0,0,0|1,0,0]=3 666 B10R1.176 Cc1ccc(cc1F)CO L19170 [1,1,0,0,0,0|2,0,0]=4 667 B10R1.176 Cc1ccc(cc1F)OC H32472 [1,1,0,0,0,0|2,0,0]=4 668 B10R1.176 Cc1ccc(cc1N)OC H60177 [1,1,0,0,0,0|2,0,0]=4 669 B10R1.176 c1c(occ(c1=O)O)CO A10760 [1,1,0,0,0,0|2,0,0]=4 670 B10R1.176 c1cc(c(cc1C#N)Br)O A19400 [1,1,0,0,0,0|0,0,2]=4 671 B10R1.176 c1cc(c(cc1C#N)Cl)O H50434 [1,1,0,0,0,0|0,0,2]=4 672 B10R1.176 c1cc(c(cc1C#N)F)O H26107 [1,1,0,0,0,0|0,0,2]=4 673 B10R1.176 c1cc(c(cc1C#N)N)O H33856 [1,1,0,0,0,0|0,0,2]=4 674 B10R1.176 c1cc(c(cc1C#N)O)O A14783 [1,1,0,0,0,0|0,0,2]=4 675 B10R1.176 c1cc(c(cc1C=O)Br)O B24729 [1,1,0,0,0,0|1,0,1]=4 676 B10R1.176 c1cc(c(cc1C=O)Cl)O A17515 [1,1,0,0,0,0|1,0,1]=4 677 B10R1.176 c1cc(c(cc1C=O)F)O L19325 [1,1,0,0,0,0|1,0,1]=4 678 B10R1.176 c1cc(c(cc1C=O)O)O A11558 [1,1,0,0,0,0|1,0,1]=4 679 B10R1.176 c1cc(c(cc1CBr)Br)F H61399 [1,1,0,0,0,0|2,0,0]=4 680 B10R1.176 c1cc(c(cc1CBr)Cl)Cl L05254 [1,1,0,0,0,0|2,0,0]=4 681 B10R1.176 c1cc(c(cc1CBr)Cl)F L19146 [1,1,0,0,0,0|2,0,0]=4 682 B10R1.176 c1cc(c(cc1CBr)F)Br H59275 [1,1,0,0,0,0|2,0,0]=4 683 B10R1.176 c1cc(c(cc1CBr)F)Cl H26391 [1,1,0,0,0,0|2,0,0]=4 684 B10R1.176 c1cc(c(cc1CBr)F)F A19965 [1,1,0,0,0,0|2,0,0]=4 685 B10R1.176 c1cc(c(cc1CCl)Cl)Cl A17672 [1,1,0,0,0,0|2,0,0]=4 686 B10R1.176 c1cc(c(cc1CCl)F)F B20367 [1,1,0,0,0,0|2,0,0]=4 687 B10R1.176 c1cc(c(cc1CN)Br)F A19280 [1,1,0,0,0,0|1,0,0]=3 688 B10R1.176 c1cc(c(cc1CN)Cl)Cl L04899 [1,1,0,0,0,0|1,0,0]=3 689 B10R1.176 c1cc(c(cc1CN)Cl)F L12881 [1,1,0,0,0,0|1,0,0]=3 690 B10R1.176 c1cc(c(cc1CN)F)Cl H26780 [1,1,0,0,0,0|1,0,0]=3 691 B10R1.176 c1cc(c(cc1CN)F)F A18448 [1,1,0,0,0,0|1,0,0]=3 692 B10R1.176 c1cc(c(cc1CN)O)O B21833 [1,1,0,0,0,0|0,0,0]=2 693 B10R1.176 c1cc(c(cc1CO)Br)F H30604 [1,1,0,0,0,0|2,0,0]=4 694 B10R1.176 c1cc(c(cc1CO)Br)O H32461 [1,1,0,0,0,0|1,0,0]=3 695 B10R1.176 c1cc(c(cc1CO)Cl)Cl A13236 [1,1,0,0,0,0|2,0,0]=4 696 B10R1.176 c1cc(c(cc1CO)Cl)F B23080 [1,1,0,0,0,0|2,0,0]=4 697 B10R1.176 c1cc(c(cc1CO)F)Br H59557 [1,1,0,0,0,0|2,0,0]=4 698 B10R1.176 c1cc(c(cc1CO)F)F A18051 [1,1,0,0,0,0|2,0,0]=4 699 B10R1.176 c1cc(c(cc1CO)O)Br H66253 [1,1,0,0,0,0|2,0,0]=4 700 B10R1.176 c1cc(c(cc1CS)Cl)Cl L03226 [1,1,0,0,0,0|2,0,0]=4 701 B10R1.176 c1cc(c(cc1C[Mg+])Cl)Cl H54133 [1,1,0,0,0,0|2,0,0]=4 702 B10R1.176 c1cc(c(cc1C[Mg+])Cl)F H54242 [1,1,0,0,0,0|2,0,0]=4 703 B10R1.176 c1cc(c(cc1C[Mg+])F)F H54312 [1,1,0,0,0,0|2,0,0]=4 704 B10R1.176 c1cc(c(cc1C[Zn+])F)F H58167 [1,1,0,0,0,0|2,0,0]=4 705 B10R1.176 c1cc(c(cc1NN)Cl)Cl A13906 [1,1,0,0,0,0|2,0,0]=4 706 B10R1.176 c1cc(c(cc1NN)Cl)F A10175 [1,1,0,0,0,0|2,0,0]=4 707 B10R1.176 c1cc(c(cc1NN)F)F H26186 [1,1,0,0,0,0|2,0,0]=4 708 B10R1.4 C=CCc1ccccc1O A10755 [1,1,0,0,0,0|1,0,1]=4 709 B10R1.4 CCCc1ccccc1O A11088 [1,1,0,0,0,0|1,0,0]=3 710 B10R1.4 CCNc1ccccc1C A11315 [1,1,0,0,0,0|2,0,0]=4 711 B10R1.4 CCOc1ccccc1O B24755 [1,1,0,0,0,0|2,0,0]=4 712 B10R1.4 CNCc1ccccc1Br H63390 [1,1,0,0,0,0|2,0,0]=4 713 B10R1.4 CNCc1ccccc1Cl H54680 [1,1,0,0,0,0|2,0,0]=4 714 B10R1.4 CNCc1ccccc1F H54439 [1,1,0,0,0,0|2,0,0]=4 715 B10R1.4 Cc1ccccc1CC#N A14787 [1,1,0,0,0,0|0,0,2]=4 716 B10R1.4 Cc1ccccc1CCN H28320 [1,1,0,0,0,0|0,0,0]=2 717 B10R1.4 Cc1ccccc1CNC H63956 [1,1,0,0,0,0|2,0,0]=4 718 B10R1.4 c1ccc(c(c1)CC#N)Br A17548 [1,1,0,0,0,0|0,0,2]=4 719 B10R1.4 c1ccc(c(c1)CC#N)Cl A13176 [1,1,0,0,0,0|0,0,2]=4 720 B10R1.4 c1ccc(c(c1)CC#N)F A11612 [1,1,0,0,0,0|0,0,2]=4 721 B10R1.4 c1ccc(c(c1)CC#N)I L12767 [1,1,0,0,0,0|0,0,2]=4 722 B10R1.4 c1ccc(c(c1)CC#N)N H66243 [1,1,0,0,0,0|0,0,2]=4 723 B10R1.4 c1ccc(c(c1)CCN)Br H60739 [1,1,0,0,0,0|0,0,0]=2 724 B10R1.4 c1ccc(c(c1)CCO)F L19998 [1,1,0,0,0,0|1,0,0]=3 725 B10R1.4 c1ccc(c(c1)\C=N\N)O B22878 [1,1,0,0,0,0|1,0,1]=4 726 B10R1.10 CCCc1cccc(c1)O B21266 [1,1,0,0,0,0|1,0,0]=3 727 B10R1.10 CCOc1cccc(c1)Br B21418 [1,1,0,0,0,0|2,0,0]=4 728 B10R1.10 CCOc1cccc(c1)O B24266 [1,1,0,0,0,0|2,0,0]=4 729 B10R1.10 CNCc1cccc(c1)Br H54294 [1,1,0,0,0,0|2,0,0]=4 730 B10R1.10 CNCc1cccc(c1)Cl H54986 [1,1,0,0,0,0|2,0,0]=4 731 B10R1.10 CNCc1cccc(c1)F H56177 [1,1,0,0,0,0|2,0,0]=4 732 B10R1.10 Cc1cccc(c1)CC#N A10558 [1,1,0,0,0,0|0,0,2]=4 733 B10R1.10 Cc1cccc(c1)CNC H63231 [1,1,0,0,0,0|2,0,0]=4 734 B10R1.10 c1cc(cc(c1)Br)CC#N B20189 [1,1,0,0,0,0|0,0,2]=4 735 B10R1.10 c1cc(cc(c1)Cl)CC#N A15673 [1,1,0,0,0,0|0,0,2]=4 736 B10R1.10 c1cc(cc(c1)F)CC#N A12737 [1,1,0,0,0,0|0,0,2]=4 737 B10R1.10 c1cc(cc(c1)F)CCN H64762 [1,1,0,0,0,0|0,0,0]=2 738 B10R1.10 c1cc(cc(c1)I)CC#N L15118 [1,1,0,0,0,0|0,0,2]=4 739 B10R1.15 C#CC(c1ccccc1)O L09549 [1,1,0,0,0,0|1,0,1]=4 740 B10R1.15 CC(C#N)c1ccccc1 A13636 [1,1,0,0,0,0|0,0,2]=4 741 B10R1.15 CC(C=O)c1ccccc1 B22436 [1,1,0,0,0,0|1,0,1]=4 742 B10R1.15 CC(CBr)c1ccccc1 L16267 [1,1,0,0,0,0|1,0,0]=3 743 B10R1.15 CC(CN)c1ccccc1 H36338 [1,1,0,0,0,0|0,0,0]=2 744 B10R1.15 CC(CO)c1ccccc1 B23473 [1,1,0,0,0,0|1,0,0]=3 745 B10R1.15 CCC(=O)c1ccccc1 A15140 [1,1,0,0,0,0|1,0,1]=4 746 B10R1.15 CCC(C)c1ccccc1 B22962 [1,1,0,0,0,0|1,0,0]=3 747 B10R1.15 CCC(c1ccccc1)O A10830 [1,1,0,0,0,0|1,0,0]=3 748 B10R1.15 CC[C@@H](c1ccccc1)N L16320 [1,1,0,0,0,0|1,0,0]=3 749 B10R1.15 CC[C@@H](c1ccccc1)O L06608 [1,1,0,0,0,0|1,0,0]=3 750 B10R1.15 CC[C@H](c1ccccc1)N L16319 [1,1,0,0,0,0|1,0,0]=3 751 B10R1.15 CC[C@H](c1ccccc1)O L05681 [1,1,0,0,0,0|1,0,0]=3 752 B10R1.15 C[C@@H](CO)c1ccccc1 L13999 [1,1,0,0,0,0|1,0,0]=3 753 B10R1.15 C[C@H](CO)c1ccccc1 L13988 [1,1,0,0,0,0|1,0,0]=3 754 B10R1.15 c1ccc(cc1)C(=O)CBr A15576 [1,1,0,0,0,0|1,0,1]=4 755 B10R1.15 c1ccc(cc1)C(=O)CCl A10749 [1,1,0,0,0,0|1,0,1]=4 756 B10R1.15 c1ccc(cc1)C(=O)CN H29117 [1,1,0,0,0,0|0,0,1]=3 757 B10R1.15 c1ccc(cc1)C(=O)CO 42013 [1,1,0,0,0,0|1,0,1]=4 758 B10R1.15 c1ccc(cc1)C(=O)NN A12268 [1,1,0,0,0,0|1,0,1]=4 759 B10R1.15 c1ccc(cc1)C(C#N)O L08698 [1,1,0,0,0,0|0,0,2]=4 760 B10R1.15 c1ccc(cc1)C(CBr)Br B24990 [1,1,0,0,0,0|1,0,0]=3 761 B10R1.15 c1ccc(cc1)C(CCl)O L14538 [1,1,0,0,0,0|1,0,0]=3 762 B10R1.15 c1ccc(cc1)C(CN)O H63932 [1,1,0,0,0,0|0,0,0]=2 763 B10R1.15 c1ccc(cc1)C(CO)O L04551 [1,1,0,0,0,0|1,0,0]=3 764 B10R1.15 c1ccc(cc1)[C@@H](C#N)N L06355 [1,1,0,0,0,0|0,0,2]=4 765 B10R1.15 c1ccc(cc1)[C@@H](CN)O L19404 [1,1,0,0,0,0|0,0,0]=2 766 B10R1.15 c1ccc(cc1)[C@@H](CO)N L13265 [1,1,0,0,0,0|1,0,0]=3 767 B10R1.15 c1ccc(cc1)[C@@H](CO)O L09836 [1,1,0,0,0,0|1,0,0]=3 768 B10R1.15 c1ccc(cc1)[C@H](C#N)O H56658 [1,1,0,0,0,0|0,0,2]=4 769 B10R1.15 c1ccc(cc1)[C@H](CN)O L19403 [1,1,0,0,0,0|0,0,0]=2 770 B10R1.15 c1ccc(cc1)[C@H](CO)N A19030 [1,1,0,0,0,0|1,0,0]=3 771 B10R1.15 c1ccc(cc1)[C@H](CO)O L10494 [1,1,0,0,0,0|1,0,0]=3 772 B10R1.17 C#CCCc1ccccc1 L12946 [1,1,0,0,0,0|1,0,0]=3 773 B10R1.17 C#CCOc1ccccc1 43923 [1,1,0,0,0,0|1,0,1]=4 774 B10R1.17 C#CCOc1ccccc1 A18272 [1,1,0,0,0,0|1,0,1]=4 775 B10R1.17 C=CCNc1ccccc1 H55821 [1,1,0,0,0,0|1,0,1]=4 776 B10R1.17 C=CCOc1ccccc1 L03359 [1,1,0,0,0,0|1,0,1]=4 777 B10R1.17 C=CCSc1ccccc1 L04771 [1,1,0,0,0,0|1,0,1]=4 778 B10R1.17 CCC#Cc1ccccc1 A11332 [1,1,0,0,0,0|1,0,1]=4 779 B10R1.17 CCCC[n+]1ccccc1 19740 [1,1,0,0,0,0|2,0,0]=4 780 B10R1.17 CCCC[n+]1ccccc1 H26995 [1,1,0,0,0,0|2,0,0]=4 781 B10R1.17 CCCCc1ccccc1 A10910 [1,1,0,0,0,0|1,0,0]=3 782 B10R1.17 CCNCc1ccccc1 L05651 [1,1,0,0,0,0|1,0,0]=3 783 B10R1.17 CCNCc1cccnc1 H51120 [1,1,0,0,0,0|2,0,0]=4 784 B10R1.17 CCNCc1ccncc1 L13714 [1,1,0,0,0,0|2,0,0]=4 785 B10R1.17 CNCCc1ccccn1 H50190 [1,1,0,0,0,0|1,0,0]=3 786 B10R1.17 c1ccc(cc1)C#CCCl H53510 [1,1,0,0,0,0|1,0,1]=4 787 B10R1.17 c1ccc(cc1)C#CCO 43778 [1,1,0,0,0,0|1,0,1]=4 788 B10R1.17 c1ccc(cc1)C#CCO L06337 [1,1,0,0,0,0|1,0,1]=4 789 B10R1.17 c1ccc(cc1)CCC#N L06483 [1,1,0,0,0,0|0,0,1]=3 790 B10R1.17 c1ccc(cc1)CCC=O A10367 [1,1,0,0,0,0|1,0,0]=3 791 B10R1.17 c1ccc(cc1)CCCBr A14050 [1,1,0,0,0,0|1,0,0]=3 792 B10R1.17 c1ccc(cc1)CCCCl B20445 [1,1,0,0,0,0|1,0,0]=3 793 B10R1.17 c1ccc(cc1)CCCI H53420 [1,1,0,0,0,0|1,0,0]=3 794 B10R1.17 c1ccc(cc1)CCCN L03023 [1,1,0,0,0,0|0,0,0]=2 795 B10R1.17 c1ccc(cc1)CCCO A13022 [1,1,0,0,0,0|1,0,0]=3 796 B10R1.17 c1ccc(cc1)CCC[Zn+] H58569 [1,1,0,0,0,0|1,0,0]=3 797 B10R1.17 c1ccc(cc1)CN=C=O L02633 [1,1,0,0,0,0|1,0,1]=4 798 B10R1.17 c1ccc(cc1)CN=C=S A15008 [1,1,0,0,0,0|1,0,1]=4 799 B10R1.17 c1ccc(cc1)CN=[N+]=[N-] 32635 [1,1,0,0,0,0|1,0,1]=4 800 B10R1.17 c1ccc(cc1)CNC=O B23722 [1,1,0,0,0,0|1,0,1]=4 801 B10R1.17 c1ccc(cc1)COC=O L13405 [1,1,0,0,0,0|1,0,1]=4 802 B10R1.17 c1ccc(cc1)COCCl H60207 [1,1,0,0,0,0|1,0,0]=3 803 B10R1.17 c1ccc(cc1)CSC#N B23902 [1,1,0,0,0,0|0,0,2]=4 804 B10R1.17 c1ccc(cc1)NCCN L03786 [1,1,0,0,0,0|0,0,0]=2 805 B10R1.17 c1ccc(cc1)NCCO B22131 [1,1,0,0,0,0|1,0,0]=3 806 B10R1.17 c1ccc(cc1)OCC#N A11981 [1,1,0,0,0,0|0,0,2]=4 807 B10R1.17 c1ccc(cc1)OCCBr B21087 [1,1,0,0,0,0|1,0,0]=3 808 B10R1.17 c1ccc(cc1)OCCCl L11345 [1,1,0,0,0,0|1,0,0]=3 809 B10R1.17 c1ccc(cc1)OCCN A12225 [1,1,0,0,0,0|0,0,0]=2 810 B10R1.17 c1ccc(cc1)OCCO A10786 [1,1,0,0,0,0|1,0,0]=3 811 B10R1.17 c1ccc(cc1)SCC#N A12869 [1,1,0,0,0,0|0,0,2]=4 812 B10R1.17 c1ccc(cc1)SCCBr L11005 [1,1,0,0,0,0|1,0,0]=3 813 B10R1.17 c1ccc(cc1)SCCCl B23265 [1,1,0,0,0,0|1,0,0]=3 814 B10R1.17 c1ccc(cc1)SCCO A10861 [1,1,0,0,0,0|1,0,0]=3 815 B10R1.17 c1ccc(cc1)\C=C\CBr L01420 [1,1,0,0,0,0|1,0,1]=4 816 B10R1.17 c1ccc(cc1)\C=C\CCl A14408 [1,1,0,0,0,0|1,0,1]=4 817 B10R1.17 c1ccc(cc1)\C=C\CO A13025 [1,1,0,0,0,0|1,0,1]=4 818 B10R1.18 CC(=C)Cc1ccccc1 B20370 [1,1,0,0,0,0|1,0,1]=4 819 B10R1.18 CC(C)Cc1ccccn1 B22349 [1,1,0,0,0,0|2,0,0]=4 820 B10R1.18 CC(C)Cc1cccnc1 B22080 [1,1,0,0,0,0|2,0,0]=4 821 B10R1.18 CC(C)Nc1ccccc1 L10646 [1,1,0,0,0,0|2,0,0]=4 822 B10R1.18 CC(C)Sc1ccccc1 A17124 [1,1,0,0,0,0|2,0,0]=4 823 B10R1.18 CN(C)Cc1ccccc1 A12191 [1,1,0,0,0,0|2,0,0]=4 824 B10R1.18 C[SiH](C)Cc1ccccc1 L05334 [1,1,0,0,0,0|1,1,0]=4 825 B10R1.18 c1cc(cnc1)CC(=O)N B25692 [1,1,0,0,0,0|1,0,1]=4 826 B10R1.18 c1cc(cnc1)CC(=S)N H58040 [1,1,0,0,0,0|1,0,1]=4 827 B10R1.18 c1ccc(cc1)CC(=O)Cl B24987 [1,1,0,0,0,0|1,0,1]=4 828 B10R1.18 c1ccc(cc1)CC(=O)N H60626 [1,1,0,0,0,0|0,0,1]=3 829 B10R1.18 c1ccc(cc1)CC(=O)O A14881 [1,1,0,0,0,0|1,0,1]=4 830 B10R1.18 c1ccc(cc1)CC(=S)N H26514 [1,1,0,0,0,0|0,0,1]=3 831 B10R1.18 c1ccc(cc1)NC(=O)N L01306 [1,1,0,0,0,0|1,0,1]=4 832 B10R1.18 c1ccc(cc1)NC(=S)N L06690 [1,1,0,0,0,0|1,0,1]=4 833 B10R1.18 c1ccc(cc1)OC(=O)N L00944 [1,1,0,0,0,0|1,0,1]=4 834 B10R1.18 c1ccnc(c1)CC(=O)N B24939 [1,1,0,0,0,0|1,0,1]=4 835 B10R1.18 c1ccnc(c1)CC(=S)N H58993 [1,1,0,0,0,0|1,0,1]=4 836 B10R1.18 c1cnccc1CC(=O)N B24734 [1,1,0,0,0,0|1,0,1]=4 837 B12R1.1 CCCCCc1ccc(cc1)Br A14457 [0,2,0,0,0,0|2,0,0]=4 838 B12R1.1 CCCCCc1ccc(cc1)I H27356 [0,2,0,0,0,0|2,0,0]=4 839 B12R1.1 CCCCCc1ccc(cc1)N H26569 [0,2,0,0,0,0|2,0,0]=4 840 B12R1.1 CCCCCc1ccc(cc1)O A11514 [0,2,0,0,0,0|1,0,0]=3 841 B12R1.1 CCCCOc1ccc(cc1)N A17528 [0,2,0,0,0,0|2,0,0]=4 842 B12R1.1 CCCCOc1ccc(cc1)O A12076 [0,2,0,0,0,0|1,0,0]=3 843 B12R1.1 CCCNCc1ccc(cc1)F H56563 [0,2,0,0,0,0|2,0,0]=4 844 B12R1.1 c1cc(ccc1CCN=C=S)Cl L11307 [0,2,0,0,0,0|1,0,1]=4 845 B12R1.1 c1cc(ccc1CSCCO)Cl L10158 [0,2,0,0,0,0|2,0,0]=4 846 B12R1.1 c1cc(ccc1OCCCCl)F B24423 [0,2,0,0,0,0|2,0,0]=4 847 B12R1.16 C=CCC(c1ccc(cc1)Cl)O H53381 [0,2,0,0,0,0|2,0,0]=4 848 B12R1.16 CCCC(=O)c1ccc(cc1)Cl A14531 [0,2,0,0,0,0|2,0,0]=4 849 B12R1.16 CCCC(=O)c1ccc(cc1)F H26034 [0,2,0,0,0,0|2,0,0]=4 850 B12R1.16 CCOC(=O)c1ccc(cc1)O A13172 [0,2,0,0,0,0|1,0,1]=4 851 B12R1.16 CNCC(c1ccc(cc1)F)O H50796 [0,2,0,0,0,0|1,0,0]=3 852 B12R1.16 c1cc(ccc1C(=O)CCCl)Br A13988 [0,2,0,0,0,0|2,0,0]=4 853 B12R1.16 c1cc(ccc1C(=O)CCCl)Cl A13311 [0,2,0,0,0,0|2,0,0]=4 854 B12R1.16 c1cc(ccc1C(=O)CCCl)F B21891 [0,2,0,0,0,0|2,0,0]=4 855 B12R1.21 CC(=O)CCc1ccc(cc1)O A14064 [0,2,0,0,0,0|1,0,0]=3 856 B12R1.21 CC(C)NCc1ccc(cc1)F H56659 [0,2,0,0,0,0|2,0,0]=4 857 B12R1.21 Cc1ccc(cc1)CCC(=O)O A14513 [0,2,0,0,0,0|2,0,0]=4 858 B12R1.21 c1cc(ccc1CCC(=O)O)Br H26785 [0,2,0,0,0,0|2,0,0]=4 859 B12R1.21 c1cc(ccc1CCC(=O)O)Cl H50204 [0,2,0,0,0,0|2,0,0]=4 860 B12R1.21 c1cc(ccc1CCC(=O)O)F L17008 [0,2,0,0,0,0|2,0,0]=4 861 B12R1.21 c1cc(ccc1CCC(=O)O)N L19330 [0,2,0,0,0,0|2,0,0]=4 862 B12R1.21 c1cc(ccc1CCC(=O)O)O A14567 [0,2,0,0,0,0|1,0,0]=3 863 B12R1.21 c1cc(ccc1CNC(=O)N)F A12865 [0,2,0,0,0,0|1,0,1]=4 864 B12R1.21 c1cc(ccc1CSC(=[NH2+])N)Cl B25362 [0,2,0,0,0,0|1,0,1]=4 865 B12R1.21 c1cc(ccc1NCC(=O)O)O A16843 [0,2,0,0,0,0|1,0,1]=4 866 B12R1.21 c1cc(ccc1O)OCC(=O)O A12940 [0,2,0,0,0,0|1,0,1]=4 867 B12R1.21 c1cc(ccc1OCC(=S)N)Cl L12711 [0,2,0,0,0,0|1,0,1]=4 868 B12R1.49 COC(=O)Cc1ccc(cc1)O B22533 [0,2,0,0,0,0|1,0,1]=4 869 B12R1.49 Cc1ccc(cc1)C\C(=N\O)\N H66026 [0,2,0,0,0,0|1,0,1]=4 870 B12R1.49 c1cc(ccc1C\C(=N\O)\N)Br H66891 [0,2,0,0,0,0|1,0,1]=4 871 B12R1.49 c1cc(ccc1C\C(=N\O)\N)F H66999 [0,2,0,0,0,0|1,0,1]=4 872 B12R1.49 c1cc(ccc1C\C(=N\O)\N)N H66933 [0,2,0,0,0,0|1,0,1]=4 873 B12R1.69 CCCOc1ccc(cc1F)Br H31660 [0,2,0,0,0,0|2,0,0]=4 874 B12R1.69 c1cc(c(cc1Cl)Cl)OCCBr H52367 [0,2,0,0,0,0|2,0,0]=4 875 B12R1.71 CCCCc1ccc(cc1)C#N A19174 [0,2,0,0,0,0|2,0,0]=4 876 B12R1.71 CCCCc1ccc(cc1)C=O L13438 [0,2,0,0,0,0|1,0,1]=4 877 B12R1.71 CCCCc1ccc(cc1)CN B22316 [0,2,0,0,0,0|2,0,0]=4 878 B12R1.71 CCCOc1ccc(cc1)C=O L08822 [0,2,0,0,0,0|1,0,1]=4 879 B12R1.71 CCNCc1ccc(cc1)OC H55045 [0,2,0,0,0,0|1,0,0]=3 880 B12R1.71 COc1ccc(cc1)CN=C=S L12342 [0,2,0,0,0,0|1,0,1]=4 881 B12R1.71 COc1ccc(cc1)OCC#N A10398 [0,2,0,0,0,0|0,0,2]=4 882 B12R1.4 CC(=O)Cc1ccc(cc1)OC A13209 [0,2,0,0,0,0|1,0,1]=4 883 B12R1.4 COc1ccc(cc1)CC(=O)Cl L15256 [0,2,0,0,0,0|1,0,1]=4 884 B12R1.4 COc1ccc(cc1)CC(=O)N L05644 [0,2,0,0,0,0|0,0,1]=3 885 B12R1.4 COc1ccc(cc1)CC(=O)O A14399 [0,2,0,0,0,0|1,0,1]=4 886 B12R1.4 COc1ccc(cc1)CC(=S)N H26742 [0,2,0,0,0,0|0,0,1]=3 887 B12R1.4 COc1ccc(cc1)NC(=O)N L01203 [0,2,0,0,0,0|1,0,1]=4 888 B12R1.4 COc1ccc(cc1)NC(=S)N L00739 [0,2,0,0,0,0|1,0,1]=4 889 B12R1.4 c1cc(ccc1CC(=O)O)CO H27531 [0,2,0,0,0,0|1,0,1]=4 890 B12R1.4 c1cc(ccc1CO)OC(F)F B23019 [0,2,0,0,0,0|2,0,0]=4 891 B12R1.19 c1cc(c(cc1CC(=O)O)F)O A12114 [0,2,0,0,0,0|1,0,1]=4 892 B12R1.19 c1cc(c(cc1CC(=O)O)O)O A15893 [0,2,0,0,0,0|1,0,1]=4 893 B12R1.20 CC(c1ccc(cc1)O)C(=O)O B24938 [0,2,0,0,0,0|1,0,1]=4 894 B12R1.20 c1cc(ccc1C(C(=O)O)O)O L05916 [0,2,0,0,0,0|1,0,1]=4 895 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)O L07190 [0,2,0,0,0,0|1,0,1]=4 896 B12R1.106 CC(C)(C)Oc1ccc(cc1)O H26013 [0,2,0,0,0,0|2,0,0]=4 897 B12R1.106 CC(C)(Cc1ccc(cc1)F)N L11858 [0,2,0,0,0,0|1,0,0]=3 898 B12R1.106 c1cc(ccc1O)OC(F)(F)F A12695 [0,2,0,0,0,0|2,0,0]=4 899 B12R1.106 c1cc(ccc1O)SC(F)(F)F B24996 [0,2,0,0,0,0|2,0,0]=4 900 B12R1.233 c1cc(c(cc1Cl)Cl)CC(=S)N H26672 [0,2,0,0,0,0|1,0,1]=4 901 B12R1.5 CCC(=O)c1ccc(cc1)OC A14619 [0,2,0,0,0,0|1,0,1]=4 902 B12R1.5 COc1ccc(cc1)C(=O)CBr A13415 [0,2,0,0,0,0|1,0,1]=4 903 B12R1.5 COc1ccc(cc1)C(=O)CN H66966 [0,2,0,0,0,0|0,0,1]=3 904 B12R1.5 COc1ccc(cc1)C(=O)NN A13015 [0,2,0,0,0,0|1,0,1]=4 905 B12R1.9 CCC(C)(C)c1ccc(cc1)O B20939 [0,2,0,0,0,0|1,0,0]=3 906 B12R1.367 CCC(=O)c1ccc(c(c1)O)O A13444 [0,2,0,0,0,0|1,0,1]=4 907 B12R1.367 c1cc(c(cc1C(=O)CCl)O)O B23496 [0,2,0,0,0,0|1,0,1]=4 908 B12R1.367 c1cc(c(cc1C(=O)NN)N)O A11538 [0,2,0,0,0,0|1,0,1]=4 909 B12R1.367 c1cc(c(cc1C(=O)NN)O)O B21746 [0,2,0,0,0,0|1,0,1]=4 910 B12R1.367 c1cc(c(cc1[C@H](CN)O)O)O L08087 [0,2,0,0,0,0|0,0,0]=2 911 B12R1.1703 CCC(=O)c1ccc(cc1O)O B23414 [0,2,0,0,0,0|1,0,1]=4 912 B12R1.1703 c1cc(c(cc1O)O)C(=O)NN L09918 [0,2,0,0,0,0|1,0,1]=4 913 B12R1.114 CNCc1ccc(cc1N)OC H52342 [0,2,0,0,0,0|2,0,0]=4 914 B12R1.114 COc1ccc(c(c1)Cl)CC#N H26021 [0,2,0,0,0,0|0,0,2]=4 915 B12R1.114 COc1ccc(c(c1)F)CC#N H30752 [0,2,0,0,0,0|0,0,2]=4 916 B12R1.544 CCOc1ccc(c(c1F)F)O H32029 [0,2,0,0,0,0|2,0,0]=4 917 B12R1.544 c1cc(c(c(c1CCO)F)F)F H32227 [0,2,0,0,0,0|2,0,0]=4 918 B12R1.1095 CCOc1c(cc(cc1Cl)O)F H32653 [0,2,0,0,0,0|2,0,0]=4 919 B12R1.1095 CCOc1c(cc(cc1F)O)F H31866 [0,2,0,0,0,0|2,0,0]=4 920 B12R1.1095 Cc1cc(c(c(c1)C)CCO)C L08032 [0,2,0,0,0,0|2,0,0]=4 921 B12R1.1123 c1c(c(cc(c1F)F)F)CCO H32686 [0,2,0,0,0,0|2,0,0]=4 922 B12R1.113 B(c1ccc(cc1)CC#N)(O)O L19955 [0,2,0,0,0,0|0,0,2]=4 923 B12R1.113 B(c1ccc(cc1)CCC)(O)O H52884 [0,2,0,0,0,0|1,0,0]=3 924 B12R1.113 B(c1ccc(cc1)COC)(O)O H61795 [0,2,0,0,0,0|2,0,0]=4 925 B12R1.113 B(c1ccc(cc1)OCC)(O)O B23683 [0,2,0,0,0,0|2,0,0]=4 926 B12R1.113 B(c1ccc(cc1)SCC)(O)O L17623 [0,2,0,0,0,0|2,0,0]=4 927 B12R1.113 CC(=O)c1ccc(cc1)CCCl L13800 [0,2,0,0,0,0|1,0,1]=4 928 B12R1.113 CCCc1ccc(cc1)C(=O)C L01144 [0,2,0,0,0,0|1,0,1]=4 929 B12R1.113 CCCc1ccc(cc1)C(=O)Cl A13452 [0,2,0,0,0,0|1,0,1]=4 930 B12R1.113 CCCc1ccc(cc1)C(=O)O A14538 [0,2,0,0,0,0|1,0,0]=3 931 B12R1.113 CCCc1ccc(cc1)[N+](=O)[O-] L07730 [0,2,0,0,0,0|1,0,1]=4 932 B12R1.113 CCOc1ccc(cc1)C(=O)O A12309 [0,2,0,0,0,0|2,0,0]=4 933 B12R1.113 CCOc1ccc(cc1)C(C)O H30052 [0,2,0,0,0,0|2,0,0]=4 934 B12R1.113 c1cc(ccc1CCBr)[N+](=O)[O-] A15677 [0,2,0,0,0,0|1,0,1]=4 935 B12R1.113 c1cc(ccc1CCCl)C(=O)O L04068 [0,2,0,0,0,0|1,0,0]=3 936 B12R1.113 c1cc(ccc1CCN)[N+](=O)[O-] H64894 [0,2,0,0,0,0|0,0,1]=3 937 B12R1.113 c1cc(ccc1CCO)[N+](=O)[O-] H54504 [0,2,0,0,0,0|1,0,1]=4 938 B12R1.113 c1cc(ccc1CON)[N+](=O)[O-] L05861 [0,2,0,0,0,0|1,0,1]=4 939 B12R1.116 CCOc1ccc(cc1)CCO L05597 [0,2,0,0,0,0|1,0,0]=3 940 B12R1.116 CCOc1ccc(cc1)OCC A15385 [0,2,0,0,0,0|2,0,0]=4 941 B12R1.288 COc1ccc(cc1Br)CC#N L09840 [0,2,0,0,0,0|0,0,2]=4 942 B12R1.288 COc1ccc(cc1Br)CCN L19874 [0,2,0,0,0,0|0,0,0]=2 943 B12R1.288 COc1ccc(cc1F)CC#N H26117 [0,2,0,0,0,0|0,0,2]=4 944 B12R1.44 CCCc1cc(c(c(c1)Br)N)Br B24802 [0,2,0,0,0,0|2,0,0]=4 945 B12R1.44 CCOc1cc(c(c(c1)F)O)F H32677 [0,2,0,0,0,0|2,0,0]=4 946 B12R1.44 c1c(cc(c(c1F)F)F)CCO H32800 [0,2,0,0,0,0|2,0,0]=4 947 B12R1.286 COc1cc(ccc1O)CC=C A14332 [0,2,0,0,0,0|1,0,1]=4 948 B10R2.6 c1ccc(cc1)C2CO2 L07821 [1,0,0,1,0,0|1,0,0]=3 949 B10R2.6 c1ccc(cc1)[C@@H]2CO2 B21245 [1,0,0,1,0,0|1,0,0]=3 950 B10R2.7 c1cc2c(nc1)CCC2 H25896 [1,0,0,1,0,0|2,0,0]=4 951 B10R2.7 c1cc2c(nc1)NCC2 H64551 [1,0,0,1,0,0|1,0,0]=3 952 B10R2.7 c1ccc2c(c1)CC=C2 A12192 [1,0,0,1,0,0|1,0,1]=4 953 B10R2.7 c1ccc2c(c1)CC=C2 L12665 [1,0,0,1,0,0|1,0,1]=4 954 B10R2.7 c1ccc2c(c1)CCC2 B21442 [1,0,0,1,0,0|1,0,0]=3 955 B10R2.7 c1ccc2c(c1)CCN2 A11000 [1,0,0,1,0,0|0,0,0]=2 956 B10R2.7 c1ccc2c(c1)CCO2 A11368 [1,0,0,1,0,0|1,0,0]=3 957 B10R2.7 c1ccc2c(c1)CNC2 H63012 [1,0,0,1,0,0|2,0,0]=4 958 B10R2.7 c1ccc2c(c1)COC2 45592 [1,0,0,1,0,0|2,0,0]=4 959 B10R2.7 c1ccc2c(c1)COC2 A10217 [1,0,0,1,0,0|2,0,0]=4 960 B10R2.7 c1ccc2c(c1)OCO2 A14192 [1,0,0,1,0,0|2,0,0]=4 961 B10R2.7 c1ccc2c(c1)[nH]cn2 A12763 [1,0,0,1,0,0|1,0,1]=4 962 B10R2.7 c1ccc2c(c1)[nH]nn2 A15423 [1,0,0,1,0,0|2,0,0]=4 963 B10R2.7 c1ccc2c(c1)cc[nH]2 A14427 [1,0,0,1,0,0|0,0,2]=4 964 B10R2.7 c1ccc2c(c1)cn[nH]2 A11665 [1,0,0,1,0,0|1,0,1]=4 965 B12R2.24 Cc1ccc2c(c1)CCCN2 A15245 [0,1,0,1,0,0|2,0,0]=4 966 B12R2.24 Cc1ccc2c(n1)NCCC2 H34168 [0,1,0,1,0,0|2,0,0]=4 967 B12R2.24 c1cc2c(cc1Br)CCNC2 H63527 [0,1,0,1,0,0|2,0,0]=4 968 B12R2.24 c1cc2c(cc1Br)CNCC2 B25712 [0,1,0,1,0,0|1,0,0]=3 969 B12R2.24 c1cc2c(cc1Br)CNCC2 H63278 [0,1,0,1,0,0|1,0,0]=3 970 B12R2.24 c1cc2c(cc1Br)NCCO2 H61070 [0,1,0,1,0,0|1,0,0]=3 971 B12R2.24 c1cc2c(cc1Br)NCCO2 H62297 [0,1,0,1,0,0|1,0,0]=3 972 B12R2.24 c1cc2c(cc1Br)NCCS2 H61089 [0,1,0,1,0,0|1,0,0]=3 973 B12R2.24 c1cc2c(cc1Br)OCCN2 H61071 [0,1,0,1,0,0|2,0,0]=4 974 B12R2.24 c1cc2c(cc1Br)OCCO2 B25625 [0,1,0,1,0,0|2,0,0]=4 975 B12R2.24 c1cc2c(cc1Br)SCCN2 H61021 [0,1,0,1,0,0|2,0,0]=4 976 B12R2.24 c1cc2c(cc1Cl)CCNC2 H63786 [0,1,0,1,0,0|2,0,0]=4 977 B12R2.24 c1cc2c(cc1Cl)CNCC2 H63456 [0,1,0,1,0,0|1,0,0]=3 978 B12R2.24 c1cc2c(cc1Cl)CNCC2 H63693 [0,1,0,1,0,0|1,0,0]=3 979 B12R2.24 c1cc2c(cc1F)CCCN2 H35364 [0,1,0,1,0,0|2,0,0]=4 980 B12R2.24 c1cc2c(cc1I)OCCO2 B20127 [0,1,0,1,0,0|2,0,0]=4 981 B12R2.24 c1cc2c(cc1N)CCNC2 H66983 [0,1,0,1,0,0|2,0,0]=4 982 B12R2.24 c1cc2c(cc1N)OCCO2 L01421 [0,1,0,1,0,0|2,0,0]=4 983 B12R2.24 c1cc2c(cc1O)CCCC2 L10164 [0,1,0,1,0,0|1,0,0]=3 984 B12R2.24 c1cc2c(cc1O)CCNC2 H64512 [0,1,0,1,0,0|1,0,0]=3 985 B12R2.132 Cc1ccc2c(c1)C(=O)CC2 L17559 [0,1,0,1,0,0|2,0,0]=4 986 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 H54003 [0,1,0,1,0,0|2,0,0]=4 987 B12R2.132 c1cc2c(cc1F)C(=O)CC2 L17095 [0,1,0,1,0,0|2,0,0]=4 988 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 H56012 [0,1,0,1,0,0|1,0,1]=4 989 B12R2.606 c1cc2c(cc1Cl)NC(=O)C2 A19674 [0,1,0,1,0,0|1,0,1]=4 990 B12R2.612 c1cc2c(cc1O)OCC2=O L10951 [0,1,0,1,0,0|1,0,1]=4 991 B12R2.44 COc1ccc2cc[nH]c2c1 L19074 [0,1,0,1,0,0|0,0,2]=4 992 B12R2.44 c1cc2c(cc1CO)OCO2 A12661 [0,1,0,1,0,0|2,0,0]=4 993 B12R2.100 c1c[nH]c2c1cc(c(c2)O)O H66709 [0,1,0,1,0,0|0,0,2]=4 994 B8R1.1 CCc1ccc(s1)C B22640 [1,0,0,0,1,0|2,0,0]=4 995 B8R1.8 CCCc1ccco1 B21703 [1,0,0,0,1,0|2,0,0]=4 996 B8R1.8 CCCc1cccs1 L03052 [1,0,0,0,1,0|2,0,0]=4 997 B8R1.8 c1c(nc[nH]1)CCN L09198 [1,0,0,0,1,0|2,0,0]=4 998 B8R1.8 c1cc(sc1)CCN A10920 [1,0,0,0,1,0|1,0,0]=3 999 B8R1.8 c1cc(sc1)CCO B21562 [1,0,0,0,1,0|2,0,0]=4 1000 B8R1.8 c1cscc1CCO L15138 [1,0,0,0,1,0|2,0,0]=4