0 B11R1.83 CC=Cc1ccc(cc1)OC TS40661 [0,0,0,0,0,0|0,0,2]=2 1 B11R1.83 CCCc1ccc(cc1)C#C TS08750 [0,0,0,0,0,0|1,0,3]=4 2 B11R1.83 CCCc1ccc(cc1)C=O TS40660 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.83 CCCc1ccc(cc1)CN TS07601 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.83 CCCc1ccc(cc1)NN TS15743 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.83 CCCc1ccc(cc1)OC TS40915 [0,0,0,0,0,0|0,0,2]=2 6 B11R1.83 CCc1ccc(cc1)CC#N TS07123 [0,0,0,0,0,0|2,0,1]=3 7 B11R1.83 CCc1ccc(cc1)CNC TS40780 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.83 CCc1ccc(cc1)N=C=O TS40535 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.83 CCc1ccc(cc1)OCC TS40919 [0,0,0,0,0,0|2,0,2]=4 10 B11R1.83 CCc1ccc(nc1)CCO TS10081 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.83 CNCc1ccc(cc1)C#N TS40437 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.83 CNCc1ccc(cc1)OC TS03152 [0,0,0,0,0,0|1,0,1]=2 13 B11R1.83 CNCc1ccc(cc1)OC TS03153 [0,0,0,0,0,0|1,0,1]=2 14 B11R1.83 COc1ccc(cc1)C=CBr TS21449 [0,0,0,0,0,0|1,0,1]=2 15 B11R1.83 COc1ccc(cc1)C=CCl TS44956 [0,0,0,0,0,0|1,0,1]=2 16 B11R1.83 COc1ccc(cc1)CC#N TS39555 [0,0,0,0,0,0|1,0,1]=2 17 B11R1.83 COc1ccc(cc1)CC=C TS07478 [0,0,0,0,0,0|0,0,0]=0 18 B11R1.83 COc1ccc(cc1)CC=O TS09869 [0,0,0,0,0,0|1,0,0]=1 19 B11R1.83 COc1ccc(cc1)CCCl TS12933 [0,0,0,0,0,0|1,0,1]=2 20 B11R1.83 COc1ccc(cc1)CCO TS41151 [0,0,0,0,0,0|1,0,1]=2 21 B11R1.83 COc1ccc(cc1)CNN TS87992 [0,0,0,0,0,0|2,0,0]=2 22 B11R1.83 COc1ccc(cc1)CO[NH3+] TS39583 [0,0,0,0,0,0|2,0,0]=2 23 B11R1.83 COc1ccc(cc1)C[N+]#[C-] TS07349 [0,0,0,0,0,0|1,0,1]=2 24 B11R1.83 COc1ccc(cc1)N=C=O TS40726 [0,0,0,0,0,0|2,0,1]=3 25 B11R1.83 COc1ccc(cc1)N=C=S TS42930 [0,0,0,0,0,0|2,0,1]=3 26 B11R1.83 COc1ccc(cc1)NC=O TS41013 [0,0,0,0,0,0|2,0,0]=2 27 B11R1.83 CSc1ccc(cc1)N=C=O TS42925 [0,0,0,0,0,0|2,1,1]=4 28 B11R1.83 c1cc(ccc1CC#N)C#N TS37566 [0,0,0,0,0,0|3,0,1]=4 29 B11R1.83 c1cc(ccc1CCN)CO TS16390 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.1 C=CCc1ccc(cc1)O TS36845 [1,0,0,0,0,0|0,0,0]=1 31 B10R1.1 CCCc1ccc(cc1)Br TS54164 [1,0,0,0,0,0|1,0,2]=4 32 B10R1.1 CCCc1ccc(cc1)C TS05929 [1,0,0,0,0,0|0,0,2]=3 33 B10R1.1 CCCc1ccc(cc1)Cl TS41466 [1,0,0,0,0,0|1,0,2]=4 34 B10R1.1 CCCc1ccc(cc1)F TS07665 [1,0,0,0,0,0|1,0,2]=4 35 B10R1.1 CCCc1ccc(cc1)I TS27402 [1,0,0,0,0,0|1,0,2]=4 36 B10R1.1 CCCc1ccc(cc1)N TS36955 [1,0,0,0,0,0|1,0,2]=4 37 B10R1.1 CCCc1ccc(cc1)O TS06088 [1,0,0,0,0,0|0,0,2]=3 38 B10R1.1 CCNc1ccc(cc1)C TS36952 [1,0,0,0,0,0|1,0,2]=4 39 B10R1.1 CCOc1ccc(cc1)C TS06082 [1,0,0,0,0,0|1,0,2]=4 40 B10R1.1 CCOc1ccc(cc1)O TS06257 [1,0,0,0,0,0|1,0,2]=4 41 B10R1.1 CNCc1ccc(cc1)Cl TS08033 [1,0,0,0,0,0|2,0,1]=4 42 B10R1.1 COCc1ccc(cc1)F TS37375 [1,0,0,0,0,0|2,0,1]=4 43 B10R1.1 CSCc1ccc(cc1)Cl TS13281 [1,0,0,0,0,0|2,0,1]=4 44 B10R1.1 Cc1ccc(cc1)C=NO TS36931 [1,0,0,0,0,0|2,0,1]=4 45 B10R1.1 Cc1ccc(cc1)CC#N TS03175 [1,0,0,0,0,0|1,0,1]=3 46 B10R1.1 Cc1ccc(cc1)CC=C TS05765 [1,0,0,0,0,0|0,0,0]=1 47 B10R1.1 Cc1ccc(cc1)CC=O TS59814 [1,0,0,0,0,0|1,0,0]=2 48 B10R1.1 Cc1ccc(cc1)CCBr TS18768 [1,0,0,0,0,0|1,0,1]=3 49 B10R1.1 Cc1ccc(cc1)CCN TS36945 [1,0,0,0,0,0|1,0,1]=3 50 B10R1.1 Cc1ccc(cc1)CCO TS06073 [1,0,0,0,0,0|1,0,1]=3 51 B10R1.1 Cc1ccc(cc1)CNC TS01603 [1,0,0,0,0,0|1,0,1]=3 52 B10R1.1 Cc1ccc(cc1)N=C=O TS01656 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.1 Cc1ccc(cc1)N=C=S TS07589 [1,0,0,0,0,0|2,0,1]=4 54 B10R1.1 Cc1ccc(cc1)NC=O TS36928 [1,0,0,0,0,0|2,0,0]=3 55 B10R1.1 Cc1ccc(cc1)SCCl TS13278 [1,0,0,0,0,0|2,0,1]=4 56 B10R1.1 Cc1ccc(cn1)CCO TS06184 [1,0,0,0,0,0|2,0,1]=4 57 B10R1.1 [C-]#[N+]Cc1ccc(cc1)Br TS18167 [1,0,0,0,0,0|2,0,1]=4 58 B10R1.1 [C-]#[N+]Cc1ccc(cc1)Cl TS41066 [1,0,0,0,0,0|2,0,1]=4 59 B10R1.1 c1cc(ccc1CC#N)Br TS71003 [1,0,0,0,0,0|2,0,1]=4 60 B10R1.1 c1cc(ccc1CC#N)Cl TS39554 [1,0,0,0,0,0|2,0,1]=4 61 B10R1.1 c1cc(ccc1CC#N)F TS09126 [1,0,0,0,0,0|2,0,1]=4 62 B10R1.1 c1cc(ccc1CC#N)I TS09719 [1,0,0,0,0,0|2,0,1]=4 63 B10R1.1 c1cc(ccc1CC#N)N TS05748 [1,0,0,0,0,0|2,0,1]=4 64 B10R1.1 c1cc(ccc1CC#N)N TS12627 [1,0,0,0,0,0|2,0,1]=4 65 B10R1.1 c1cc(ccc1CC#N)O TS59576 [1,0,0,0,0,0|1,0,1]=3 66 B10R1.1 c1cc(ccc1CC=O)Br TS59562 [1,0,0,0,0,0|2,0,0]=3 67 B10R1.1 c1cc(ccc1CC=O)Cl TS08034 [1,0,0,0,0,0|2,0,0]=3 68 B10R1.1 c1cc(ccc1CC=O)F TS47060 [1,0,0,0,0,0|2,0,0]=3 69 B10R1.1 c1cc(ccc1CC=O)N TS36921 [1,0,0,0,0,0|2,0,0]=3 70 B10R1.1 c1cc(ccc1CC=O)O TS36982 [1,0,0,0,0,0|1,0,0]=2 71 B10R1.1 c1cc(ccc1CCBr)Br TS71001 [1,0,0,0,0,0|2,0,1]=4 72 B10R1.1 c1cc(ccc1CCBr)Cl TS08144 [1,0,0,0,0,0|2,0,1]=4 73 B10R1.1 c1cc(ccc1CCBr)F TS38380 [1,0,0,0,0,0|2,0,1]=4 74 B10R1.1 c1cc(ccc1CCBr)O TS38051 [1,0,0,0,0,0|1,0,1]=3 75 B10R1.1 c1cc(ccc1CCCl)F TS11092 [1,0,0,0,0,0|2,0,1]=4 76 B10R1.1 c1cc(ccc1CCN)Br TS34272 [1,0,0,0,0,0|2,0,1]=4 77 B10R1.1 c1cc(ccc1CCN)Br TS71000 [1,0,0,0,0,0|2,0,1]=4 78 B10R1.1 c1cc(ccc1CCN)Cl TS10636 [1,0,0,0,0,0|2,0,1]=4 79 B10R1.1 c1cc(ccc1CCN)Cl TS51403 [1,0,0,0,0,0|2,0,1]=4 80 B10R1.1 c1cc(ccc1CCN)F TS03097 [1,0,0,0,0,0|2,0,1]=4 81 B10R1.1 c1cc(ccc1CCN)F TS13760 [1,0,0,0,0,0|2,0,1]=4 82 B10R1.1 c1cc(ccc1CCN)I TS27555 [1,0,0,0,0,0|2,0,1]=4 83 B10R1.1 c1cc(ccc1CCN)N TS09521 [1,0,0,0,0,0|2,0,1]=4 84 B10R1.1 c1cc(ccc1CCN)N TS37024 [1,0,0,0,0,0|2,0,1]=4 85 B10R1.1 c1cc(ccc1CCN)O TS01822 [1,0,0,0,0,0|1,0,1]=3 86 B10R1.1 c1cc(ccc1CCN)O TS39727 [1,0,0,0,0,0|1,0,1]=3 87 B10R1.1 c1cc(ccc1CCO)Br TS16460 [1,0,0,0,0,0|2,0,1]=4 88 B10R1.1 c1cc(ccc1CCO)Cl TS10797 [1,0,0,0,0,0|2,0,1]=4 89 B10R1.1 c1cc(ccc1CCO)F TS39509 [1,0,0,0,0,0|2,0,1]=4 90 B10R1.1 c1cc(ccc1CCO)N TS39616 [1,0,0,0,0,0|2,0,1]=4 91 B10R1.1 c1cc(ccc1CCO)O TS47066 [1,0,0,0,0,0|1,0,1]=3 92 B10R1.1 c1cc(ccc1CNN)Br TS91149 [1,0,0,0,0,0|3,0,0]=4 93 B10R1.1 c1cc(ccc1CNN)Cl TS90344 [1,0,0,0,0,0|3,0,0]=4 94 B10R1.1 c1cc(ccc1CNN)F TS88239 [1,0,0,0,0,0|3,0,0]=4 95 B10R1.1 c1cc(ccc1CNN)F TS94903 [1,0,0,0,0,0|3,0,0]=4 96 B10R1.1 c1cc(ccc1CO[NH3+])Cl TS39582 [1,0,0,0,0,0|3,0,0]=4 97 B10R1.1 c1cc(ccc1CO[NH3+])F TS93852 [1,0,0,0,0,0|3,0,0]=4 98 B10R1.1 c1cc(ccc1NC=O)Cl TS10616 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.1 c1cc(ccc1NC=O)F TS37270 [1,0,0,0,0,0|3,0,0]=4 100 B10R1.1 c1cc(ccc1NC=O)O TS37097 [1,0,0,0,0,0|2,0,0]=3 101 B10R1.3 C#Cc1ccc(cc1)C=O TS71109 [1,0,0,0,0,0|2,0,1]=4 102 B10R1.3 C=Cc1ccc(cc1)C#N TS05461 [1,0,0,0,0,0|2,0,0]=3 103 B10R1.3 C=Cc1ccc(cc1)C=C TS36514 [1,0,0,0,0,0|1,0,1]=3 104 B10R1.3 C=Cc1ccc(cc1)C=O TS93446 [1,0,0,0,0,0|2,0,0]=3 105 B10R1.3 C=Cc1ccc(cc1)CO TS36844 [1,0,0,0,0,0|2,0,0]=3 106 B10R1.3 C=Cc1ccc(cc1)CO TS69333 [1,0,0,0,0,0|2,0,0]=3 107 B10R1.3 CCc1ccc(cc1)C#C TS59670 [1,0,0,0,0,0|1,0,2]=4 108 B10R1.3 CCc1ccc(cc1)C#N TS05665 [1,0,0,0,0,0|2,0,1]=4 109 B10R1.3 CCc1ccc(cc1)C=C TS36711 [1,0,0,0,0,0|1,0,0]=2 110 B10R1.3 CCc1ccc(cc1)C=O TS36835 [1,0,0,0,0,0|2,0,0]=3 111 B10R1.3 CCc1ccc(cc1)CC TS05932 [1,0,0,0,0,0|1,0,1]=3 112 B10R1.3 CCc1ccc(cc1)CCl TS07791 [1,0,0,0,0,0|2,0,0]=3 113 B10R1.3 CCc1ccc(cc1)CN TS36956 [1,0,0,0,0,0|2,0,0]=3 114 B10R1.3 CCc1ccc(cc1)CO TS06078 [1,0,0,0,0,0|2,0,0]=3 115 B10R1.3 CCc1ccc(cc1)OC TS06096 [1,0,0,0,0,0|0,0,1]=2 116 B10R1.3 CCc1ccc(nc1)C=C TS65158 [1,0,0,0,0,0|2,0,0]=3 117 B10R1.3 CNc1ccc(cc1)C#N TS07763 [1,0,0,0,0,0|2,0,1]=4 118 B10R1.3 CNc1ccc(cc1)OC TS01939 [1,0,0,0,0,0|1,0,1]=3 119 B10R1.3 COc1ccc(cc1)C#C TS03157 [1,0,0,0,0,0|0,0,2]=3 120 B10R1.3 COc1ccc(cc1)C#N TS07812 [1,0,0,0,0,0|1,0,1]=3 121 B10R1.3 COc1ccc(cc1)C=C TS36841 [1,0,0,0,0,0|0,0,0]=1 122 B10R1.3 COc1ccc(cc1)C=O TS36981 [1,0,0,0,0,0|1,0,0]=2 123 B10R1.3 COc1ccc(cc1)CBr TS03143 [1,0,0,0,0,0|1,0,0]=2 124 B10R1.3 COc1ccc(cc1)CCl TS60060 [1,0,0,0,0,0|1,0,0]=2 125 B10R1.3 COc1ccc(cc1)CN TS03142 [1,0,0,0,0,0|1,0,0]=2 126 B10R1.3 COc1ccc(cc1)CS TS03144 [1,0,0,0,0,0|1,0,0]=2 127 B10R1.3 COc1ccc(cc1)C[Zn+] TS50043 [1,0,0,0,0,0|1,0,0]=2 128 B10R1.3 COc1ccc(cc1)NN TS45874 [1,0,0,0,0,0|2,0,0]=3 129 B10R1.3 COc1ccc(cc1)OC TS07887 [1,0,0,0,0,0|1,0,1]=3 130 B10R1.3 COc1ccc(cc1)SC TS41410 [1,0,0,0,0,0|1,0,1]=3 131 B10R1.3 COc1ccc(cc1)[Mg]Br TS44050 [1,0,0,0,0,0|2,0,0]=3 132 B10R1.3 COc1ccc(cc1)[N+]#N TS50040 [1,0,0,0,0,0|2,0,0]=3 133 B10R1.3 COc1ccc(cc1)[N+]#[C-] TS36751 [1,0,0,0,0,0|1,0,1]=3 134 B10R1.3 COc1ccc(cn1)C#C TS88941 [1,0,0,0,0,0|1,0,2]=4 135 B10R1.3 COc1ccc(cn1)C#N TS55433 [1,0,0,0,0,0|2,0,1]=4 136 B10R1.3 COc1ccc(cn1)C=O TS55618 [1,0,0,0,0,0|2,0,0]=3 137 B10R1.3 COc1ccc(cn1)CN TS91541 [1,0,0,0,0,0|2,0,0]=3 138 B10R1.3 COc1ccc(cn1)CO TS87332 [1,0,0,0,0,0|2,0,0]=3 139 B10R1.3 COc1ccc(cn1)NN TS71564 [1,0,0,0,0,0|3,0,0]=4 140 B10R1.3 COc1ccc(nc1)C#N TS91172 [1,0,0,0,0,0|2,0,1]=4 141 B10R1.3 COc1ccc(nc1)C=O TS87371 [1,0,0,0,0,0|2,0,0]=3 142 B10R1.3 COc1ccc(nc1)CCl TS90886 [1,0,0,0,0,0|2,0,0]=3 143 B10R1.3 COc1ccc(nc1)CO TS91157 [1,0,0,0,0,0|2,0,0]=3 144 B10R1.3 COc1ccc(nc1)OC TS94185 [1,0,0,0,0,0|2,0,1]=4 145 B10R1.3 COc1ncc(cn1)C=O TS55436 [1,0,0,0,0,0|3,0,0]=4 146 B10R1.3 COc1ncc(cn1)CN TS06379 [1,0,0,0,0,0|3,0,0]=4 147 B10R1.3 CSc1ccc(cc1)C#N TS40765 [1,0,0,0,0,0|1,1,1]=4 148 B10R1.3 CSc1ccc(cc1)C=O TS71245 [1,0,0,0,0,0|1,1,0]=3 149 B10R1.3 CSc1ccc(cc1)CCl TS13280 [1,0,0,0,0,0|1,1,0]=3 150 B10R1.3 CSc1ccc(cc1)CO TS41407 [1,0,0,0,0,0|1,1,0]=3 151 B10R1.3 CSc1ccc(cc1)NN TS46693 [1,0,0,0,0,0|2,1,0]=4 152 B10R1.3 CSc1ccc(cc1)[Mg]Br TS24404 [1,0,0,0,0,0|2,1,0]=4 153 B10R1.3 CSc1ccc(cc1)[Mg]Cl TS15085 [1,0,0,0,0,0|2,1,0]=4 154 B10R1.3 c1cc(ccc1C=O)C#N TS03056 [1,0,0,0,0,0|3,0,0]=4 155 B10R1.3 c1cc(ccc1C=O)C=O TS36801 [1,0,0,0,0,0|3,0,0]=4 156 B10R1.3 c1cc(ccc1CBr)C#N TS03060 [1,0,0,0,0,0|3,0,0]=4 157 B10R1.3 c1cc(ccc1CBr)C=O TS08637 [1,0,0,0,0,0|3,0,0]=4 158 B10R1.3 c1cc(ccc1CBr)CBr TS39926 [1,0,0,0,0,0|3,0,0]=4 159 B10R1.3 c1cc(ccc1CCl)C#N TS33158 [1,0,0,0,0,0|3,0,0]=4 160 B10R1.3 c1cc(ccc1CCl)CCl TS13622 [1,0,0,0,0,0|3,0,0]=4 161 B10R1.3 c1cc(ccc1CN)C#N TS03059 [1,0,0,0,0,0|3,0,0]=4 162 B10R1.3 c1cc(ccc1CN)C#N TS16889 [1,0,0,0,0,0|3,0,0]=4 163 B10R1.3 c1cc(ccc1CN)CO TS03000 [1,0,0,0,0,0|3,0,0]=4 164 B10R1.3 c1cc(ccc1CN)CO TS45704 [1,0,0,0,0,0|3,0,0]=4 165 B10R1.3 c1cc(ccc1CO)C#N TS01797 [1,0,0,0,0,0|3,0,0]=4 166 B10R1.3 c1cc(ccc1CO)CBr TS16757 [1,0,0,0,0,0|3,0,0]=4 167 B10R1.3 c1cc(ccc1CO)CO TS06244 [1,0,0,0,0,0|3,0,0]=4 168 B10R1.3 c1cc(ccc1CS)CS TS12899 [1,0,0,0,0,0|3,0,0]=4 169 B10R1.3 c1cc(ccc1C[Zn+])C#N TS68531 [1,0,0,0,0,0|3,0,0]=4 170 B12R1.4 CC(=O)Cc1ccc(cc1)OC TS03156 [0,1,0,0,0,0|0,0,1]=2 171 B12R1.4 CC(=O)Nc1ccc(cc1)OC TS42885 [0,1,0,0,0,0|1,0,1]=3 172 B12R1.4 CC(=O)Nc1ccc(cc1)SC TS48120 [0,1,0,0,0,0|1,1,1]=4 173 B12R1.4 CC(C)Nc1ccc(cc1)OC TS12073 [0,1,0,0,0,0|1,0,2]=4 174 B12R1.4 CC(Cc1ccc(cc1)OC)N TS42953 [0,1,0,0,0,0|0,0,2]=3 175 B12R1.4 CCc1ccc(cc1)CC(=O)C TS11597 [0,1,0,0,0,0|1,0,1]=3 176 B12R1.4 CCc1ccc(cc1)NC(=S)N TS14657 [0,1,0,0,0,0|3,0,0]=4 177 B12R1.4 CCc1ccc(cc1)OC(=O)C TS11867 [0,1,0,0,0,0|2,0,1]=4 178 B12R1.4 COc1ccc(cc1)CC(=O)Cl TS48666 [0,1,0,0,0,0|1,0,0]=2 179 B12R1.4 COc1ccc(cc1)CC(=O)N TS12026 [0,1,0,0,0,0|1,0,0]=2 180 B12R1.4 COc1ccc(cc1)CC(=O)O TS12167 [0,1,0,0,0,0|1,0,0]=2 181 B12R1.4 COc1ccc(cc1)CC(=S)N TS14830 [0,1,0,0,0,0|1,0,0]=2 182 B12R1.4 COc1ccc(cc1)NC(=N)N TS12040 [0,1,0,0,0,0|2,0,0]=3 183 B12R1.4 COc1ccc(cc1)NC(=N)N TS19287 [0,1,0,0,0,0|2,0,0]=3 184 B12R1.4 COc1ccc(cc1)NC(=O)N TS12234 [0,1,0,0,0,0|2,0,0]=3 185 B12R1.4 COc1ccc(cc1)NC(=S)N TS48305 [0,1,0,0,0,0|2,0,0]=3 186 B12R1.4 COc1ccc(cc1)OC(=O)Cl TS15706 [0,1,0,0,0,0|2,0,0]=3 187 B12R1.4 CSc1ccc(cc1)CC(=O)O TS70786 [0,1,0,0,0,0|1,1,0]=3 188 B12R1.4 C[C@H](Cc1ccc(cc1)OC)N TS12061 [0,1,0,0,0,0|0,0,2]=3 189 B12R1.4 c1cc(ccc1CC(=O)O)C#N TS03064 [0,1,0,0,0,0|3,0,0]=4 190 B12R1.4 c1cc(ccc1CC(=O)O)CBr TS16900 [0,1,0,0,0,0|3,0,0]=4 191 B12R1.4 c1cc(ccc1CC(=O)O)CCl TS15379 [0,1,0,0,0,0|3,0,0]=4 192 B12R1.4 c1cc(ccc1CC(=O)O)CN TS12032 [0,1,0,0,0,0|3,0,0]=4 193 B12R1.4 c1cc(ccc1CC(=O)O)CO TS12166 [0,1,0,0,0,0|3,0,0]=4 194 B12R1.5 CCC(=O)c1ccc(cc1)OC TS11868 [0,1,0,0,0,0|0,0,3]=4 195 B12R1.5 COc1ccc(cc1)C(=NO)Cl TS15509 [0,1,0,0,0,0|2,0,1]=4 196 B12R1.5 COc1ccc(cc1)C(=O)C#N TS11379 [0,1,0,0,0,0|1,0,2]=4 197 B12R1.5 COc1ccc(cc1)C(=O)C=O TS14914 [0,1,0,0,0,0|1,0,1]=3 198 B12R1.5 COc1ccc(cc1)C(=O)CBr TS08327 [0,1,0,0,0,0|1,0,2]=4 199 B12R1.5 COc1ccc(cc1)C(=O)CCl TS03154 [0,1,0,0,0,0|1,0,2]=4 200 B12R1.5 COc1ccc(cc1)C(=O)CO TS12163 [0,1,0,0,0,0|1,0,2]=4 201 B12R1.5 COc1ccc(cc1)C(=O)NN TS71218 [0,1,0,0,0,0|2,0,1]=4 202 B12R1.5 COc1ccc(cc1)C(=O)OC TS43036 [0,1,0,0,0,0|1,0,2]=4 203 B12R1.5 COc1ccc(cc1)C(=S)SC TS18706 [0,1,0,0,0,0|1,0,2]=4 204 B12R1.5 COc1ccc(cc1)C(CN)O TS38509 [0,1,0,0,0,0|1,0,1]=3 205 B12R1.5 COc1ccc(cc1)[C@H](C#N)O TS42565 [0,1,0,0,0,0|1,0,1]=3 206 B12R1.5 COc1ccc(cc1)[C@H](CCl)O TS49006 [0,1,0,0,0,0|1,0,1]=3 207 B12R1.71 C=CCOc1ccc(cc1)C=O TS42436 [0,1,0,0,0,0|2,0,0]=3 208 B12R1.71 CCNCc1ccc(cc1)OC TS12070 [0,1,0,0,0,0|0,0,2]=3 209 B12R1.71 CNCCc1ccc(cc1)OC TS38183 [0,1,0,0,0,0|0,0,2]=3 210 B12R1.71 CNCCc1ccc(cc1)OC TS59871 [0,1,0,0,0,0|0,0,2]=3 211 B12R1.71 COc1ccc(cc1)C#CCO TS11545 [0,1,0,0,0,0|0,0,3]=4 212 B12R1.71 COc1ccc(cc1)CCC=O TS11887 [0,1,0,0,0,0|0,0,1]=2 213 B12R1.71 COc1ccc(cc1)CCCCl TS48683 [0,1,0,0,0,0|0,0,2]=3 214 B12R1.71 COc1ccc(cc1)CCCN TS12074 [0,1,0,0,0,0|0,0,2]=3 215 B12R1.71 COc1ccc(cc1)CCCO TS43106 [0,1,0,0,0,0|0,0,2]=3 216 B12R1.71 COc1ccc(cc1)CN=C=O TS42570 [0,1,0,0,0,0|1,0,1]=3 217 B12R1.71 COc1ccc(cc1)COC=O TS43035 [0,1,0,0,0,0|1,0,0]=2 218 B12R1.71 COc1ccc(cc1)OCC#N TS11704 [0,1,0,0,0,0|1,0,1]=3 219 B12R1.71 COc1ccc(cc1)OCC=C TS42730 [0,1,0,0,0,0|0,0,0]=1 220 B12R1.71 COc1ccc(cc1)OCCBr TS25017 [0,1,0,0,0,0|1,0,1]=3 221 B12R1.113 CC(=O)c1ccc(cc1)CCBr TS39570 [0,1,0,0,0,0|2,0,1]=4 222 B12R1.113 CC(=O)c1ccc(cc1)CCCl TS15067 [0,1,0,0,0,0|2,0,1]=4 223 B12R1.113 CC(C)c1ccc(cc1)CC#N TS42076 [0,1,0,0,0,0|2,0,1]=4 224 B12R1.113 CC(C)c1ccc(cc1)CC=O TS11592 [0,1,0,0,0,0|2,0,0]=3 225 B12R1.113 CCCc1ccc(cc1)C(=O)C TS11598 [0,1,0,0,0,0|1,0,2]=4 226 B12R1.113 CN(C)c1ccc(cc1)CCN TS11939 [0,1,0,0,0,0|2,0,1]=4 227 B12R1.113 c1cc(ccc1CC=O)[N+](=O)[O-] TS46551 [0,1,0,0,0,0|3,0,0]=4 228 B12R1.114 COc1ccc(c(c1)Cl)CC#N TS14845 [0,1,0,0,0,0|1,0,1]=3 229 B12R1.114 COc1ccc(c(c1)F)CC#N TS42871 [0,1,0,0,0,0|1,0,1]=3 230 B12R1.114 Cc1cc(ccc1CC#N)OC TS07806 [0,1,0,0,0,0|1,0,1]=3 231 B12R1.114 Cc1cc(ccc1N=C=O)OC TS42559 [0,1,0,0,0,0|2,0,1]=4 232 B12R1.114 Cc1cc(ccc1N=C=S)OC TS14443 [0,1,0,0,0,0|2,0,1]=4 233 B12R1.116 CCCc1ccc(cc1)CCC TS42507 [0,1,0,0,0,0|1,0,2]=4 234 B12R1.116 CCOc1ccc(cc1)CC#N TS07790 [0,1,0,0,0,0|1,0,1]=3 235 B12R1.116 CCOc1ccc(cc1)CCN TS12064 [0,1,0,0,0,0|1,0,1]=3 236 B12R1.116 CCOc1ccc(cc1)CCO TS43105 [0,1,0,0,0,0|1,0,1]=3 237 B12R1.116 CCOc1ccc(cc1)CNC TS42956 [0,1,0,0,0,0|1,0,1]=3 238 B12R1.116 CCOc1ccc(cc1)N=C=O TS11707 [0,1,0,0,0,0|2,0,1]=4 239 B12R1.116 CCOc1ccc(cc1)N=C=S TS47773 [0,1,0,0,0,0|2,0,1]=4 240 B12R1.116 CCOc1ccc(cc1)OCC TS12252 [0,1,0,0,0,0|1,0,2]=4 241 B12R1.116 COCc1ccc(cc1)COC TS12266 [0,1,0,0,0,0|1,0,1]=3 242 B12R1.116 c1cc(ccc1CCCl)CCCl TS38383 [0,1,0,0,0,0|2,0,1]=4 243 B12R1.116 c1cc(ccc1CCO)CCO TS12258 [0,1,0,0,0,0|2,0,1]=4 244 B12R1.288 COc1ccc(cc1Br)CC#N TS24106 [0,1,0,0,0,0|1,0,1]=3 245 B12R1.288 COc1ccc(cc1Br)CCN TS52949 [0,1,0,0,0,0|1,0,1]=3 246 B12R1.288 COc1ccc(cc1Cl)CC#N TS14851 [0,1,0,0,0,0|1,0,1]=3 247 B12R1.288 COc1ccc(cc1Cl)CCN TS15528 [0,1,0,0,0,0|1,0,1]=3 248 B12R1.288 COc1ccc(cc1Cl)N=C=O TS15188 [0,1,0,0,0,0|2,0,1]=4 249 B12R1.288 COc1ccc(cc1F)CC#N TS07748 [0,1,0,0,0,0|1,0,1]=3 250 B12R1.288 COc1ccc(cc1F)CC=C TS43082 [0,1,0,0,0,0|0,0,0]=1 251 B12R1.288 COc1ccc(cc1F)CCO TS45118 [0,1,0,0,0,0|1,0,1]=3 252 B12R1.288 COc1ccc(cc1O)CCN TS38507 [0,1,0,0,0,0|1,0,1]=3 253 B12R1.288 Cc1cc(ccc1OC)CC#N TS42316 [0,1,0,0,0,0|1,0,1]=3 254 B12R2.9 COc1ccc(cc1)[C@@H]2CO2 TS40847 [0,0,0,1,0,0|1,0,1]=3 255 B12R2.44 CCc1ccc2c(c1)cc[nH]2 TS03293 [0,0,0,1,0,0|2,0,0]=3 256 B12R2.44 CCc1ccc2cc[nH]c2c1 TS60097 [0,0,0,1,0,0|2,0,1]=4 257 B12R2.44 CNc1cc2cc[nH]c2nc1 TS40558 [0,0,0,1,0,0|3,0,0]=4 258 B12R2.44 COc1cc2c(cc[nH]2)cn1 TS40611 [0,0,0,1,0,0|2,0,1]=4 259 B12R2.44 COc1cc2c(cc[nH]2)nc1 TS40618 [0,0,0,1,0,0|2,0,1]=4 260 B12R2.44 COc1cc2cc[nH]c2cn1 TS40621 [0,0,0,1,0,0|2,0,0]=3 261 B12R2.44 COc1cc2cc[nH]c2nc1 TS01137 [0,0,0,1,0,0|2,0,0]=3 262 B12R2.44 COc1ccc2c(c1)C=CC2 TS07229 [0,0,0,1,0,0|0,0,0]=1 263 B12R2.44 COc1ccc2c(c1)CCC2 TS40647 [0,0,0,1,0,0|0,0,2]=3 264 B12R2.44 COc1ccc2c(c1)CCN2 TS71586 [0,0,0,1,0,0|1,0,2]=4 265 B12R2.44 COc1ccc2c(c1)CNC2 TS03348 [0,0,0,1,0,0|1,0,1]=3 266 B12R2.44 COc1ccc2c(c1)NCC2 TS01254 [0,0,0,1,0,0|1,0,1]=3 267 B12R2.44 COc1ccc2c(c1)NCC2 TS65173 [0,0,0,1,0,0|1,0,1]=3 268 B12R2.44 COc1ccc2c(c1)[nH]cn2 TS07430 [0,0,0,1,0,0|2,0,0]=3 269 B12R2.44 COc1ccc2c(c1)cc[nH]2 TS40531 [0,0,0,1,0,0|1,0,0]=2 270 B12R2.44 COc1ccc2c(c1)cco2 TS01139 [0,0,0,1,0,0|1,0,0]=2 271 B12R2.44 COc1ccc2c(c1)cn[nH]2 TS71581 [0,0,0,1,0,0|2,0,0]=3 272 B12R2.44 COc1ccc2c(c1)nn[nH]2 TS60212 [0,0,0,1,0,0|3,0,0]=4 273 B12R2.44 COc1ccc2c(c1)non2 TS40822 [0,0,0,1,0,0|3,0,0]=4 274 B12R2.44 COc1ccc2c(c1)nsn2 TS43097 [0,0,0,1,0,0|3,0,0]=4 275 B12R2.44 COc1ccc2c(c1)scn2 TS55615 [0,0,0,1,0,0|2,0,0]=3 276 B12R2.44 COc1ccc2c(n1)cc[nH]2 TS08885 [0,0,0,1,0,0|2,0,0]=3 277 B12R2.44 COc1ccc2c(n1)cn[nH]2 TS87443 [0,0,0,1,0,0|3,0,0]=4 278 B12R2.44 COc1ccc2cc[nH]c2c1 TS55616 [0,0,0,1,0,0|1,0,1]=3 279 B12R2.44 COc1ccc2cc[nH]c2n1 TS40609 [0,0,0,1,0,0|2,0,1]=4 280 B12R2.44 COc1ccc2cn[nH]c2c1 TS01249 [0,0,0,1,0,0|2,0,1]=4 281 B12R2.44 COc1ncc2c(n1)ccs2 TS87584 [0,0,0,1,0,0|3,0,0]=4 282 B12R2.44 CSc1ccc2c(c1)cc[nH]2 TS42625 [0,0,0,1,0,0|1,1,0]=3 283 B12R2.44 c1cc2c(cc[nH]2)cc1C#N TS37569 [0,0,0,1,0,0|3,0,0]=4 284 B12R2.44 c1cc2c(cc[nH]2)cc1C=O TS01495 [0,0,0,1,0,0|3,0,0]=4 285 B12R2.44 c1cc2c(cc[nH]2)cc1CN TS40439 [0,0,0,1,0,0|3,0,0]=4 286 B12R2.44 c1cc2c(cc[nH]2)cc1CO TS01497 [0,0,0,1,0,0|3,0,0]=4 287 B12R2.44 c1cc2c(cco2)cc1C#N TS02003 [0,0,0,1,0,0|3,0,0]=4 288 B12R2.44 c1cc2c(cco2)cc1C=O TS00400 [0,0,0,1,0,0|3,0,0]=4 289 B12R2.44 c1cc2c(cco2)cc1CN TS00401 [0,0,0,1,0,0|3,0,0]=4 290 B12R2.44 c1cc2c(cco2)cc1CO TS07418 [0,0,0,1,0,0|3,0,0]=4 291 B12R2.44 c1cc2c(ccs2)cc1C#N TS08748 [0,0,0,1,0,0|3,0,0]=4 292 B12R2.44 c1cc2c(ccs2)cc1C=O TS42474 [0,0,0,1,0,0|3,0,0]=4 293 B12R2.44 c1cc2c(ccs2)cc1CN TS42626 [0,0,0,1,0,0|3,0,0]=4 294 B12R2.44 c1cc2c(ccs2)cc1CO TS11912 [0,0,0,1,0,0|3,0,0]=4 295 B9R1.1 C#Cc1ccc(cc1)O TS71112 [2,0,0,0,0,0|0,0,2]=4 296 B9R1.1 C=Cc1ccc(cc1)Br TS48376 [2,0,0,0,0,0|1,0,0]=3 297 B9R1.1 C=Cc1ccc(cc1)Cl TS37254 [2,0,0,0,0,0|1,0,0]=3 298 B9R1.1 C=Cc1ccc(cc1)F TS32505 [2,0,0,0,0,0|1,0,0]=3 299 B9R1.1 C=Cc1ccc(cc1)N TS04791 [2,0,0,0,0,0|1,0,0]=3 300 B9R1.1 C=Cc1ccc(cc1)O TS71308 [2,0,0,0,0,0|0,0,0]=2 301 B9R1.1 CCc1ccc(cc1)Br TS01944 [2,0,0,0,0,0|1,0,1]=4 302 B9R1.1 CCc1ccc(cc1)Cl TS37449 [2,0,0,0,0,0|1,0,1]=4 303 B9R1.1 CCc1ccc(cc1)F TS05030 [2,0,0,0,0,0|1,0,1]=4 304 B9R1.1 CCc1ccc(cc1)I TS25158 [2,0,0,0,0,0|1,0,1]=4 305 B9R1.1 CCc1ccc(cc1)N TS04870 [2,0,0,0,0,0|1,0,1]=4 306 B9R1.1 CCc1ccc(cc1)O TS04905 [2,0,0,0,0,0|0,0,1]=3 307 B9R1.1 CCc1ccc(cc1)S TS06298 [2,0,0,0,0,0|0,1,1]=4 308 B9R1.1 CCc1ccc(cc1)[Zn+] TS55970 [2,0,0,0,0,0|1,0,1]=4 309 B9R1.1 CCc1ccc(nc1)C TS32477 [2,0,0,0,0,0|1,0,1]=4 310 B9R1.1 CCc1ccc(nc1)O TS04959 [2,0,0,0,0,0|1,0,1]=4 311 B9R1.1 CNc1ccc(cc1)Br TS48830 [2,0,0,0,0,0|2,0,0]=4 312 B9R1.1 CNc1ccc(cc1)Cl TS37534 [2,0,0,0,0,0|2,0,0]=4 313 B9R1.1 CNc1ccc(cc1)F TS36055 [2,0,0,0,0,0|2,0,0]=4 314 B9R1.1 CNc1ccc(cc1)I TS32640 [2,0,0,0,0,0|2,0,0]=4 315 B9R1.1 CNc1ccc(cc1)N TS04921 [2,0,0,0,0,0|2,0,0]=4 316 B9R1.1 CNc1ccc(cc1)N TS17998 [2,0,0,0,0,0|2,0,0]=4 317 B9R1.1 CNc1ccc(cc1)O TS04963 [2,0,0,0,0,0|1,0,1]=4 318 B9R1.1 CNc1ccc(cc1)O TS78698 [2,0,0,0,0,0|1,0,1]=4 319 B9R1.1 COc1ccc(cc1)Cl TS37682 [2,0,0,0,0,0|1,0,0]=3 320 B9R1.1 COc1ccc(cc1)F TS32969 [2,0,0,0,0,0|1,0,0]=3 321 B9R1.1 COc1ccc(cc1)I TS59516 [2,0,0,0,0,0|1,0,0]=3 322 B9R1.1 COc1ccc(cc1)N TS01634 [2,0,0,0,0,0|1,0,0]=3 323 B9R1.1 COc1ccc(cc1)N TS11193 [2,0,0,0,0,0|1,0,0]=3 324 B9R1.1 COc1ccc(cc1)N TS93025 [2,0,0,0,0,0|1,0,0]=3 325 B9R1.1 COc1ccc(cc1)O TS02083 [2,0,0,0,0,0|1,0,0]=3 326 B9R1.1 COc1ccc(cc1)S TS06486 [2,0,0,0,0,0|1,0,0]=3 327 B9R1.1 COc1ccc(cc1)[Zn+] TS74539 [2,0,0,0,0,0|1,0,0]=3 328 B9R1.1 COc1ccc(cn1)Br TS09790 [2,0,0,0,0,0|2,0,0]=4 329 B9R1.1 COc1ccc(cn1)Cl TS71503 [2,0,0,0,0,0|2,0,0]=4 330 B9R1.1 COc1ccc(cn1)F TS71544 [2,0,0,0,0,0|2,0,0]=4 331 B9R1.1 COc1ccc(cn1)I TS01075 [2,0,0,0,0,0|2,0,0]=4 332 B9R1.1 COc1ccc(cn1)N TS05017 [2,0,0,0,0,0|2,0,0]=4 333 B9R1.1 COc1ccc(cn1)O TS71568 [2,0,0,0,0,0|2,0,0]=4 334 B9R1.1 COc1ccc(nc1)Br TS08354 [2,0,0,0,0,0|2,0,0]=4 335 B9R1.1 COc1ccc(nc1)Cl TS00910 [2,0,0,0,0,0|2,0,0]=4 336 B9R1.1 COc1ccc(nc1)N TS47440 [2,0,0,0,0,0|2,0,0]=4 337 B9R1.1 COc1ccn(=O)cc1 TS71219 [2,0,0,0,0,0|2,0,0]=4 338 B9R1.1 CSc1ccc(cc1)Br TS09618 [2,0,0,0,0,0|1,1,0]=4 339 B9R1.1 CSc1ccc(cc1)Cl TS42001 [2,0,0,0,0,0|1,1,0]=4 340 B9R1.1 CSc1ccc(cc1)F TS06687 [2,0,0,0,0,0|1,1,0]=4 341 B9R1.1 CSc1ccc(cc1)I TS27986 [2,0,0,0,0,0|1,1,0]=4 342 B9R1.1 CSc1ccc(cc1)N TS06394 [2,0,0,0,0,0|1,1,0]=4 343 B9R1.1 CSc1ccc(cc1)O TS37396 [2,0,0,0,0,0|1,0,1]=4 344 B9R1.1 CSc1ccc(cc1)S TS41710 [2,0,0,0,0,0|1,1,0]=4 345 B9R1.1 CSc1ccc(cc1)[Zn+] TS76796 [2,0,0,0,0,0|1,1,0]=4 346 B9R1.1 Cc1ccc(cc1)C#C TS32874 [2,0,0,0,0,0|0,0,2]=4 347 B9R1.1 Cc1ccc(cc1)C#N TS04679 [2,0,0,0,0,0|1,0,1]=4 348 B9R1.1 Cc1ccc(cc1)C=C TS71237 [2,0,0,0,0,0|0,0,0]=2 349 B9R1.1 Cc1ccc(cc1)C=O TS09079 [2,0,0,0,0,0|1,0,0]=3 350 B9R1.1 Cc1ccc(cc1)CBr TS03170 [2,0,0,0,0,0|1,0,0]=3 351 B9R1.1 Cc1ccc(cc1)CCl TS37455 [2,0,0,0,0,0|1,0,0]=3 352 B9R1.1 Cc1ccc(cc1)CN TS32473 [2,0,0,0,0,0|1,0,0]=3 353 B9R1.1 Cc1ccc(cc1)CO TS04902 [2,0,0,0,0,0|1,0,0]=3 354 B9R1.1 Cc1ccc(cc1)CS TS06300 [2,0,0,0,0,0|1,0,0]=3 355 B9R1.1 Cc1ccc(cc1)NC TS32470 [2,0,0,0,0,0|1,0,0]=3 356 B9R1.1 Cc1ccc(cc1)NN TS01655 [2,0,0,0,0,0|2,0,0]=4 357 B9R1.1 Cc1ccc(cc1)NN TS23082 [2,0,0,0,0,0|2,0,0]=4 358 B9R1.1 Cc1ccc(cc1)OC TS04894 [2,0,0,0,0,0|0,0,0]=2 359 B9R1.1 Cc1ccc(cc1)SC TS71244 [2,0,0,0,0,0|0,1,0]=3 360 B9R1.1 Cc1ccc(cc1)[Hg]Cl TS77673 [2,0,0,0,0,0|2,0,0]=4 361 B9R1.1 Cc1ccc(cc1)[Mg]Cl TS40955 [2,0,0,0,0,0|2,0,0]=4 362 B9R1.1 Cc1ccc(cn1)C=C TS55464 [2,0,0,0,0,0|1,0,0]=3 363 B9R1.1 Cc1ccc(cn1)C=O TS01266 [2,0,0,0,0,0|2,0,0]=4 364 B9R1.1 Cc1ccc(cn1)CN TS88042 [2,0,0,0,0,0|2,0,0]=4 365 B9R1.1 Cc1ccc(cn1)OC TS04979 [2,0,0,0,0,0|1,0,0]=3 366 B9R1.1 Cc1ccc(nc1)C=O TS01160 [2,0,0,0,0,0|2,0,0]=4 367 B9R1.1 Cc1ccc(nc1)CN TS08057 [2,0,0,0,0,0|2,0,0]=4 368 B9R1.1 Cc1cnc(cn1)C=C TS04818 [2,0,0,0,0,0|2,0,0]=4 369 B9R1.1 c1cc(ccc1C#N)O TS03063 [2,0,0,0,0,0|1,0,1]=4 370 B9R1.1 c1cc(ccc1C=O)Br TS09589 [2,0,0,0,0,0|2,0,0]=4 371 B9R1.1 c1cc(ccc1C=O)Cl TS37446 [2,0,0,0,0,0|2,0,0]=4 372 B9R1.1 c1cc(ccc1C=O)Cl TS93024 [2,0,0,0,0,0|2,0,0]=4 373 B9R1.1 c1cc(ccc1C=O)F TS03079 [2,0,0,0,0,0|2,0,0]=4 374 B9R1.1 c1cc(ccc1C=O)I TS71194 [2,0,0,0,0,0|2,0,0]=4 375 B9R1.1 c1cc(ccc1C=O)N TS08868 [2,0,0,0,0,0|2,0,0]=4 376 B9R1.1 c1cc(ccc1C=O)O TS01630 [2,0,0,0,0,0|1,0,0]=3 377 B9R1.1 c1cc(ccc1C=O)O TS42180 [2,0,0,0,0,0|1,0,0]=3 378 B9R1.1 c1cc(ccc1CBr)Br TS09598 [2,0,0,0,0,0|2,0,0]=4 379 B9R1.1 c1cc(ccc1CBr)Cl TS46748 [2,0,0,0,0,0|2,0,0]=4 380 B9R1.1 c1cc(ccc1CBr)F TS03088 [2,0,0,0,0,0|2,0,0]=4 381 B9R1.1 c1cc(ccc1CBr)I TS09718 [2,0,0,0,0,0|2,0,0]=4 382 B9R1.1 c1cc(ccc1CBr)O TS16899 [2,0,0,0,0,0|1,0,0]=3 383 B9R1.1 c1cc(ccc1CCl)Br TS16774 [2,0,0,0,0,0|2,0,0]=4 384 B9R1.1 c1cc(ccc1CCl)Cl TS39591 [2,0,0,0,0,0|2,0,0]=4 385 B9R1.1 c1cc(ccc1CCl)F TS07044 [2,0,0,0,0,0|2,0,0]=4 386 B9R1.1 c1cc(ccc1CN)Br TS09597 [2,0,0,0,0,0|2,0,0]=4 387 B9R1.1 c1cc(ccc1CN)Br TS60052 [2,0,0,0,0,0|2,0,0]=4 388 B9R1.1 c1cc(ccc1CN)Cl TS33154 [2,0,0,0,0,0|2,0,0]=4 389 B9R1.1 c1cc(ccc1CN)Cl TS71062 [2,0,0,0,0,0|2,0,0]=4 390 B9R1.1 c1cc(ccc1CN)F TS03087 [2,0,0,0,0,0|2,0,0]=4 391 B9R1.1 c1cc(ccc1CN)F TS42359 [2,0,0,0,0,0|2,0,0]=4 392 B9R1.1 c1cc(ccc1CN)I TS07803 [2,0,0,0,0,0|2,0,0]=4 393 B9R1.1 c1cc(ccc1CN)I TS73917 [2,0,0,0,0,0|2,0,0]=4 394 B9R1.1 c1cc(ccc1CN)N TS32510 [2,0,0,0,0,0|2,0,0]=4 395 B9R1.1 c1cc(ccc1CN)O TS38524 [2,0,0,0,0,0|1,0,0]=3 396 B9R1.1 c1cc(ccc1CN)O TS71170 [2,0,0,0,0,0|1,0,0]=3 397 B9R1.1 c1cc(ccc1CO)Br TS16773 [2,0,0,0,0,0|2,0,0]=4 398 B9R1.1 c1cc(ccc1CO)Cl TS37684 [2,0,0,0,0,0|2,0,0]=4 399 B9R1.1 c1cc(ccc1CO)F TS36109 [2,0,0,0,0,0|2,0,0]=4 400 B9R1.1 c1cc(ccc1CO)I TS02234 [2,0,0,0,0,0|2,0,0]=4 401 B9R1.1 c1cc(ccc1CO)N TS70914 [2,0,0,0,0,0|2,0,0]=4 402 B9R1.1 c1cc(ccc1CO)O TS46479 [2,0,0,0,0,0|1,0,0]=3 403 B9R1.1 c1cc(ccc1CO)S TS37388 [2,0,0,0,0,0|1,1,0]=4 404 B9R1.1 c1cc(ccc1CS)Br TS19522 [2,0,0,0,0,0|2,0,0]=4 405 B9R1.1 c1cc(ccc1CS)Cl TS42005 [2,0,0,0,0,0|2,0,0]=4 406 B9R1.1 c1cc(ccc1CS)F TS06684 [2,0,0,0,0,0|2,0,0]=4 407 B9R1.1 c1cc(ccc1C[Zn+])Br TS76764 [2,0,0,0,0,0|2,0,0]=4 408 B9R1.1 c1cc(ccc1N=O)O TS32551 [2,0,0,0,0,0|2,0,0]=4 409 B9R1.1 c1cc(ncc1C=O)O TS55611 [2,0,0,0,0,0|2,0,0]=4 410 B9R1.1 c1cc(ncc1O)C=O TS03343 [2,0,0,0,0,0|2,0,0]=4 411 B9R1.8 C#CCc1ccccc1 TS32230 [2,0,0,0,0,0|0,0,2]=4 412 B9R1.8 C=CC[n+]1ccccc1 TS37844 [2,0,0,0,0,0|1,0,0]=3 413 B9R1.8 C=CCc1ccccc1 TS32347 [2,0,0,0,0,0|0,0,0]=2 414 B9R1.8 C=CSc1ccccc1 TS06113 [2,0,0,0,0,0|1,0,0]=3 415 B9R1.8 CC=Cc1ccccc1 TS32346 [2,0,0,0,0,0|0,0,2]=4 416 B9R1.8 CCCc1ccccc1 TS04832 [2,0,0,0,0,0|0,0,2]=4 417 B9R1.8 CNCc1ccccc1 TS01938 [2,0,0,0,0,0|1,0,1]=4 418 B9R1.8 COCc1ccccc1 TS04897 [2,0,0,0,0,0|1,0,1]=4 419 B9R1.8 CSCc1ccccc1 TS06309 [2,0,0,0,0,0|1,0,1]=4 420 B9R1.8 [C-]#[N+]Cc1ccccc1 TS04681 [2,0,0,0,0,0|1,0,1]=4 421 B9R1.8 c1ccc(cc1)C=CBr TS48378 [2,0,0,0,0,0|1,0,1]=4 422 B9R1.8 c1ccc(cc1)C=CCl TS37253 [2,0,0,0,0,0|1,0,1]=4 423 B9R1.8 c1ccc(cc1)C=CN TS55760 [2,0,0,0,0,0|1,0,1]=4 424 B9R1.8 c1ccc(cc1)CC#N TS04678 [2,0,0,0,0,0|1,0,1]=4 425 B9R1.8 c1ccc(cc1)CCBr TS15419 [2,0,0,0,0,0|1,0,1]=4 426 B9R1.8 c1ccc(cc1)CCCl TS37454 [2,0,0,0,0,0|1,0,1]=4 427 B9R1.8 c1ccc(cc1)CCI TS25156 [2,0,0,0,0,0|1,0,1]=4 428 B9R1.8 c1ccc(cc1)CCN TS22602 [2,0,0,0,0,0|1,0,1]=4 429 B9R1.8 c1ccc(cc1)CCN TS65627 [2,0,0,0,0,0|1,0,1]=4 430 B9R1.8 c1ccc(cc1)CCO TS04901 [2,0,0,0,0,0|1,0,1]=4 431 B9R1.8 c1ccc(cc1)CCS TS06307 [2,0,0,0,0,0|1,0,1]=4 432 B9R1.8 c1ccc(cc1)CC[Zn+] TS62914 [2,0,0,0,0,0|1,0,1]=4 433 B9R1.8 c1ccc(cc1)CNN TS09177 [2,0,0,0,0,0|2,0,0]=4 434 B9R1.8 c1ccc(cc1)CNN TS21284 [2,0,0,0,0,0|2,0,0]=4 435 B9R1.8 c1ccc(cc1)CNO TS01934 [2,0,0,0,0,0|2,0,0]=4 436 B9R1.8 c1ccc(cc1)CNO TS93618 [2,0,0,0,0,0|2,0,0]=4 437 B9R1.8 c1ccc(cc1)C[Mg]Br TS52066 [2,0,0,0,0,0|2,0,0]=4 438 B9R1.8 c1ccc(cc1)C[Mg]Cl TS40953 [2,0,0,0,0,0|2,0,0]=4 439 B9R1.8 c1ccc(cc1)NC=O TS04863 [2,0,0,0,0,0|2,0,0]=4 440 B9R1.8 c1ccc(cc1)OC=O TS32488 [2,0,0,0,0,0|2,0,0]=4 441 B11R1.1 C=CCCc1ccc(cc1)F TS40882 [1,1,0,0,0,0|1,0,0]=3 442 B11R1.1 C=CCOc1ccc(cc1)Cl TS40001 [1,1,0,0,0,0|1,0,0]=3 443 B11R1.1 CCCCc1ccc(cc1)C TS07510 [1,1,0,0,0,0|0,0,2]=4 444 B11R1.1 CCCCc1ccc(cc1)O TS40895 [1,1,0,0,0,0|0,0,2]=4 445 B11R1.1 CCCOc1ccc(cc1)O TS71268 [1,1,0,0,0,0|0,0,2]=4 446 B11R1.1 CNCCc1ccc(cc1)O TS94477 [1,1,0,0,0,0|0,0,2]=4 447 B11R1.1 COCCc1ccc(cc1)O TS10182 [1,1,0,0,0,0|0,0,2]=4 448 B11R1.1 Cc1ccc(cc1)CCC=C TS07263 [1,1,0,0,0,0|0,0,0]=2 449 B11R1.1 Cc1ccc(cc1)CCC=O TS40656 [1,1,0,0,0,0|0,0,1]=3 450 B11R1.1 Cc1ccc(cc1)CCCO TS09928 [1,1,0,0,0,0|0,0,2]=4 451 B11R1.1 Cc1ccc(cc1)CCNC TS39895 [1,1,0,0,0,0|0,0,2]=4 452 B11R1.1 Cc1ccc(cc1)CN=C=O TS07342 [1,1,0,0,0,0|1,0,1]=4 453 B11R1.1 Cc1ccc(cc1)NCC#C TS07117 [1,1,0,0,0,0|0,0,2]=4 454 B11R1.1 Cc1ccc(cc1)NNC=O TS09888 [1,1,0,0,0,0|2,0,0]=4 455 B11R1.1 Cc1ccc(cc1)OCC#N TS07332 [1,1,0,0,0,0|1,0,1]=4 456 B11R1.1 Cc1ccc(cc1)OCC=C TS40652 [1,1,0,0,0,0|0,0,0]=2 457 B11R1.1 Cc1ccc(cc1)OCC=O TS40854 [1,1,0,0,0,0|1,0,0]=3 458 B11R1.1 Cc1ccc(cc1)OCCBr TS21830 [1,1,0,0,0,0|1,0,1]=4 459 B11R1.1 Cc1ccc(cc1)OCCO TS10176 [1,1,0,0,0,0|1,0,1]=4 460 B11R1.1 Cc1ccc(cc1)SCC#N TS60249 [1,1,0,0,0,0|1,0,1]=4 461 B11R1.1 c1cc(ccc1C=CC#N)O TS07078 [1,1,0,0,0,0|0,0,2]=4 462 B11R1.1 c1cc(ccc1C=CC=O)Br TS21058 [1,1,0,0,0,0|1,0,1]=4 463 B11R1.1 c1cc(ccc1C=CC=O)Cl TS12306 [1,1,0,0,0,0|1,0,1]=4 464 B11R1.1 c1cc(ccc1C=CC=O)F TS03090 [1,1,0,0,0,0|1,0,1]=4 465 B11R1.1 c1cc(ccc1CCC#N)O TS65688 [1,1,0,0,0,0|0,0,2]=4 466 B11R1.1 c1cc(ccc1CCC=O)Br TS09421 [1,1,0,0,0,0|1,0,1]=4 467 B11R1.1 c1cc(ccc1CCCN)O TS10075 [1,1,0,0,0,0|0,0,2]=4 468 B11R1.1 c1cc(ccc1CCCO)O TS02185 [1,1,0,0,0,0|0,0,2]=4 469 B11R1.1 c1cc(ccc1NCCO)O TS10316 [1,1,0,0,0,0|1,0,1]=4 470 B11R1.1 c1cc(ccc1O)OCCBr TS49202 [1,1,0,0,0,0|1,0,1]=4 471 B11R1.1 c1cc(ccc1O)OCCCl TS45561 [1,1,0,0,0,0|1,0,1]=4 472 B11R1.20 CC(=O)Cc1ccc(cc1)Br TS21448 [1,1,0,0,0,0|1,0,1]=4 473 B11R1.20 CC(=O)Cc1ccc(cc1)Cl TS01985 [1,1,0,0,0,0|1,0,1]=4 474 B11R1.20 CC(=O)Cc1ccc(cc1)F TS10168 [1,1,0,0,0,0|1,0,1]=4 475 B11R1.20 CC(=O)Cc1ccc(cc1)O TS40856 [1,1,0,0,0,0|0,0,1]=3 476 B11R1.20 CC(=O)Nc1ccc(cc1)O TS40999 [1,1,0,0,0,0|1,0,1]=4 477 B11R1.20 Cc1ccc(cc1)CC(=O)C TS07472 [1,1,0,0,0,0|0,0,1]=3 478 B11R1.20 Cc1ccc(cc1)CC(=O)Cl TS01654 [1,1,0,0,0,0|1,0,0]=3 479 B11R1.20 Cc1ccc(cc1)CC(=O)O TS65138 [1,1,0,0,0,0|1,0,0]=3 480 B11R1.20 Cc1ccc(cc1)CC(=S)N TS12091 [1,1,0,0,0,0|1,0,0]=3 481 B11R1.20 Cc1ccc(cc1)CC(=S)O TS15009 [1,1,0,0,0,0|1,0,0]=3 482 B11R1.20 Cc1ccc(cc1)NC(=N)N TS07577 [1,1,0,0,0,0|2,0,0]=4 483 B11R1.20 Cc1ccc(cc1)NC(=O)C TS40755 [1,1,0,0,0,0|1,0,1]=4 484 B11R1.20 Cc1ccc(cc1)NC(=O)N TS09890 [1,1,0,0,0,0|2,0,0]=4 485 B11R1.20 Cc1ccc(cc1)NC(=S)N TS12280 [1,1,0,0,0,0|2,0,0]=4 486 B11R1.20 Cc1ccc(cc1)OC(=O)C TS09868 [1,1,0,0,0,0|1,0,1]=4 487 B11R1.20 Cc1ccc(cc1)OC(=O)Cl TS12926 [1,1,0,0,0,0|2,0,0]=4 488 B11R1.20 Cc1ccc(cc1)OC(=S)Cl TS15735 [1,1,0,0,0,0|2,0,0]=4 489 B11R1.20 c1cc(ccc1CC(=N)N)Br TS21455 [1,1,0,0,0,0|2,0,0]=4 490 B11R1.20 c1cc(ccc1CC(=N)N)Cl TS00227 [1,1,0,0,0,0|2,0,0]=4 491 B11R1.20 c1cc(ccc1CC(=O)Cl)Br TS08909 [1,1,0,0,0,0|2,0,0]=4 492 B11R1.20 c1cc(ccc1CC(=O)Cl)Cl TS71060 [1,1,0,0,0,0|2,0,0]=4 493 B11R1.20 c1cc(ccc1CC(=O)Cl)F TS03099 [1,1,0,0,0,0|2,0,0]=4 494 B11R1.20 c1cc(ccc1CC(=O)N)O TS10025 [1,1,0,0,0,0|1,0,0]=3 495 B11R1.20 c1cc(ccc1CC(=O)O)Br TS71002 [1,1,0,0,0,0|2,0,0]=4 496 B11R1.20 c1cc(ccc1CC(=O)O)Cl TS16663 [1,1,0,0,0,0|2,0,0]=4 497 B11R1.20 c1cc(ccc1CC(=O)O)F TS01853 [1,1,0,0,0,0|2,0,0]=4 498 B11R1.20 c1cc(ccc1CC(=O)O)I TS29739 [1,1,0,0,0,0|2,0,0]=4 499 B11R1.20 c1cc(ccc1CC(=O)O)N TS39550 [1,1,0,0,0,0|2,0,0]=4 500 B11R1.20 c1cc(ccc1CC(=O)O)O TS03131 [1,1,0,0,0,0|1,0,0]=3 501 B11R1.20 c1cc(ccc1CC(=O)O)S TS44884 [1,1,0,0,0,0|1,1,0]=4 502 B11R1.20 c1cc(ccc1CC(=S)N)Cl TS15543 [1,1,0,0,0,0|2,0,0]=4 503 B11R1.20 c1cc(ccc1NC(=S)N)O TS44895 [1,1,0,0,0,0|2,0,0]=4 504 B11R1.22 CCC(C)c1ccc(cc1)O TS40902 [1,1,0,0,0,0|0,0,2]=4 505 B11R1.22 Cc1ccc(cc1)C(=O)C=O TS43032 [1,1,0,0,0,0|1,0,1]=4 506 B11R1.22 Cc1ccc(cc1)C(C)C=O TS07460 [1,1,0,0,0,0|1,0,0]=3 507 B11R1.22 Cc1ccc(cc1)[C@H](C#N)O TS40536 [1,1,0,0,0,0|1,0,1]=4 508 B11R1.22 c1cc(ccc1C(=O)C=O)O TS12485 [1,1,0,0,0,0|1,0,1]=4 509 B11R1.22 c1cc(ccc1C(C#N)O)O TS07544 [1,1,0,0,0,0|1,0,1]=4 510 B11R1.22 c1cc(ccc1C(CN)O)O TS41283 [1,1,0,0,0,0|1,0,1]=4 511 B11R1.81 CCCc1ccc(cc1O)O TS41141 [1,1,0,0,0,0|0,0,2]=4 512 B11R1.81 Cc1ccc(c(c1)C)CC#N TS07115 [1,1,0,0,0,0|1,0,1]=4 513 B11R1.81 Cc1ccc(c(c1)C)CCN TS07611 [1,1,0,0,0,0|1,0,1]=4 514 B11R1.81 Cc1ccc(c(c1)C)CCO TS40908 [1,1,0,0,0,0|1,0,1]=4 515 B11R1.81 Cc1ccc(c(c1)C)NC=O TS40748 [1,1,0,0,0,0|2,0,0]=4 516 B11R1.81 Cc1ccc(c(c1)F)CC#N TS09298 [1,1,0,0,0,0|1,0,1]=4 517 B11R1.81 c1cc(c(cc1F)Cl)CC=O TS13265 [1,1,0,0,0,0|2,0,0]=4 518 B11R1.192 C=CCc1ccc(c(c1)Cl)F TS45245 [1,1,0,0,0,0|1,0,0]=3 519 B11R1.192 C=CCc1ccc(c(c1)F)Cl TS45247 [1,1,0,0,0,0|1,0,0]=3 520 B11R1.192 C=CCc1ccc(c(c1)F)F TS10400 [1,1,0,0,0,0|1,0,0]=3 521 B11R1.192 Cc1cc(ccc1F)CC=C TS40884 [1,1,0,0,0,0|1,0,0]=3 522 B11R1.192 Cc1ccc(cc1C)CC#N TS07125 [1,1,0,0,0,0|1,0,1]=4 523 B11R1.192 Cc1ccc(cc1C)CCN TS65765 [1,1,0,0,0,0|1,0,1]=4 524 B11R1.192 Cc1ccc(cc1F)CC#N TS02759 [1,1,0,0,0,0|1,0,1]=4 525 B11R1.192 Cc1ccc(cc1F)CC=C TS40885 [1,1,0,0,0,0|0,0,0]=2 526 B11R1.192 Cc1ccc(cc1F)CCO TS41379 [1,1,0,0,0,0|1,0,1]=4 527 B11R1.192 c1cc(c(cc1CCN)O)O TS16255 [1,1,0,0,0,0|1,0,1]=4 528 B11R1.192 c1cc(c(cc1CCN)O)O TS19647 [1,1,0,0,0,0|1,0,1]=4 529 B11R1.192 c1cc(c(cc1CCN)O)O TS25493 [1,1,0,0,0,0|1,0,1]=4 530 B11R1.192 c1cc(c(cc1CCO)O)O TS02550 [1,1,0,0,0,0|1,0,1]=4 531 B11R1.3 B(c1ccc(cc1)C=C)(O)O TS07399 [1,1,0,0,0,0|2,0,0]=4 532 B11R1.3 B(c1ccc(cc1)OC)(O)O TS93919 [1,1,0,0,0,0|2,0,0]=4 533 B11R1.3 C=Cc1ccc(cc1)C(=O)O TS71307 [1,1,0,0,0,0|2,0,0]=4 534 B11R1.3 C=Cc1ccc(cc1)S(=O)[O-] TS17059 [1,1,0,0,0,0|1,1,0]=4 535 B11R1.3 CC(=C)c1ccc(cc1)C=O TS01820 [1,1,0,0,0,0|2,0,0]=4 536 B11R1.3 CC(=O)c1ccc(cc1)C=C TS07232 [1,1,0,0,0,0|1,0,0]=3 537 B11R1.3 CC(=O)c1ccc(cc1)C=O TS07425 [1,1,0,0,0,0|2,0,0]=4 538 B11R1.3 CC(=O)c1ccc(cc1)OC TS40842 [1,1,0,0,0,0|0,0,1]=3 539 B11R1.3 CC(=O)c1ccc(cc1)SC TS70785 [1,1,0,0,0,0|0,1,1]=4 540 B11R1.3 CC(=O)c1ccc(cn1)OC TS86710 [1,1,0,0,0,0|1,0,1]=4 541 B11R1.3 CC(=O)c1ccc(nc1)OC TS22855 [1,1,0,0,0,0|1,0,1]=4 542 B11R1.3 CC(C)c1ccc(cc1)C=C TS07267 [1,1,0,0,0,0|1,0,0]=3 543 B11R1.3 CC(C)c1ccc(cc1)C=O TS09730 [1,1,0,0,0,0|2,0,0]=4 544 B11R1.3 CC(C)c1ccc(cc1)CBr TS44303 [1,1,0,0,0,0|2,0,0]=4 545 B11R1.3 CC(C)c1ccc(cc1)CCl TS12630 [1,1,0,0,0,0|2,0,0]=4 546 B11R1.3 CC(C)c1ccc(cc1)CN TS40775 [1,1,0,0,0,0|2,0,0]=4 547 B11R1.3 CC(C)c1ccc(cc1)CO TS09929 [1,1,0,0,0,0|2,0,0]=4 548 B11R1.3 CC(C)c1ccc(cc1)OC TS09911 [1,1,0,0,0,0|0,0,1]=3 549 B11R1.3 CC(c1ccc(cc1)OC)O TS10179 [1,1,0,0,0,0|0,0,1]=3 550 B11R1.3 CCc1ccc(cc1)C(=O)C TS40659 [1,1,0,0,0,0|1,0,1]=4 551 B11R1.3 CCc1ccc(cc1)C(=O)Cl TS12610 [1,1,0,0,0,0|2,0,0]=4 552 B11R1.3 CCc1ccc(cc1)C(=O)N TS40757 [1,1,0,0,0,0|2,0,0]=4 553 B11R1.3 CCc1ccc(cc1)C(=O)O TS40858 [1,1,0,0,0,0|2,0,0]=4 554 B11R1.3 CCc1ccc(cc1)C(=S)N TS12083 [1,1,0,0,0,0|2,0,0]=4 555 B11R1.3 CCc1ccc(cc1)C(C)C TS07509 [1,1,0,0,0,0|1,0,1]=4 556 B11R1.3 CCc1ccc(cc1)[C@@H](C)N TS07597 [1,1,0,0,0,0|1,0,1]=4 557 B11R1.3 CCc1ccc(cc1)[C@H](C)N TS07612 [1,1,0,0,0,0|1,0,1]=4 558 B11R1.3 CN(C)c1ccc(cc1)C=O TS70774 [1,1,0,0,0,0|2,0,0]=4 559 B11R1.3 CN(C)c1ccc(cc1)CN TS03078 [1,1,0,0,0,0|2,0,0]=4 560 B11R1.3 CN(C)c1ccc(cc1)CN TS70775 [1,1,0,0,0,0|2,0,0]=4 561 B11R1.3 CN(C)c1ccc(cc1)CO TS41047 [1,1,0,0,0,0|2,0,0]=4 562 B11R1.3 CNc1ccc(cc1)C(=O)O TS10016 [1,1,0,0,0,0|2,0,0]=4 563 B11R1.3 COc1ccc(cc1)C(=N)N TS15734 [1,1,0,0,0,0|1,0,0]=3 564 B11R1.3 COc1ccc(cc1)C(=O)Cl TS00259 [1,1,0,0,0,0|1,0,0]=3 565 B11R1.3 COc1ccc(cc1)C(=O)N TS10033 [1,1,0,0,0,0|1,0,0]=3 566 B11R1.3 COc1ccc(cc1)C(=O)O TS92947 [1,1,0,0,0,0|1,0,0]=3 567 B11R1.3 COc1ccc(cc1)C(=O)[O-] TS51125 [1,1,0,0,0,0|1,0,0]=3 568 B11R1.3 COc1ccc(cc1)C(=S)N TS12413 [1,1,0,0,0,0|1,0,0]=3 569 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] TS41252 [1,1,0,0,0,0|2,0,0]=4 570 B11R1.3 COc1ccc(cn1)C(=O)O TS01098 [1,1,0,0,0,0|2,0,0]=4 571 B11R1.3 COc1ccc(cn1)C(=S)N TS44893 [1,1,0,0,0,0|2,0,0]=4 572 B11R1.3 COc1ccc(nc1)C(=O)O TS03355 [1,1,0,0,0,0|2,0,0]=4 573 B11R1.3 CSc1ccc(cc1)C(=O)O TS44887 [1,1,0,0,0,0|1,1,0]=4 574 B11R1.3 C[C@@H](c1ccc(cc1)OC)N TS46626 [1,1,0,0,0,0|0,0,1]=3 575 B11R1.279 CNc1ccc(cc1N)OC TS10200 [1,1,0,0,0,0|1,0,1]=4 576 B11R1.279 COc1c(cc(cn1)C=O)Cl TS85210 [1,1,0,0,0,0|2,0,0]=4 577 B11R1.279 COc1c(cc(cn1)C=O)F TS07749 [1,1,0,0,0,0|2,0,0]=4 578 B11R1.279 COc1c(cc(cn1)CO)Cl TS03266 [1,1,0,0,0,0|2,0,0]=4 579 B11R1.279 COc1ccc(c(c1)Br)OC TS39649 [1,1,0,0,0,0|1,0,1]=4 580 B11R1.279 COc1ccc(c(c1)Cl)C#N TS09276 [1,1,0,0,0,0|1,0,1]=4 581 B11R1.279 COc1ccc(c(c1)Cl)CBr TS16533 [1,1,0,0,0,0|1,0,0]=3 582 B11R1.279 COc1ccc(c(c1)Cl)OC TS45559 [1,1,0,0,0,0|1,0,1]=4 583 B11R1.279 COc1ccc(c(c1)F)C#N TS55335 [1,1,0,0,0,0|1,0,1]=4 584 B11R1.279 COc1ccc(c(c1)F)C=O TS55334 [1,1,0,0,0,0|1,0,0]=3 585 B11R1.279 COc1ccc(c(c1)F)CCl TS13601 [1,1,0,0,0,0|1,0,0]=3 586 B11R1.279 COc1ccc(c(c1)F)CO TS41602 [1,1,0,0,0,0|1,0,0]=3 587 B11R1.279 COc1ccc(c(c1)F)OC TS46810 [1,1,0,0,0,0|1,0,1]=4 588 B11R1.279 COc1ccc(c(c1)I)OC TS68772 [1,1,0,0,0,0|1,0,1]=4 589 B11R1.279 COc1ccc(c(c1)N)C#N TS47403 [1,1,0,0,0,0|1,0,1]=4 590 B11R1.279 COc1ccc(c(c1)N)OC TS41275 [1,1,0,0,0,0|1,0,1]=4 591 B11R1.279 COc1ccc(c(c1)O)C=O TS55391 [1,1,0,0,0,0|1,0,0]=3 592 B11R1.279 COc1ccc(c(c1)O)CO TS10410 [1,1,0,0,0,0|1,0,0]=3 593 B11R1.279 COc1ccc(c(c1)O)OC TS10405 [1,1,0,0,0,0|1,0,1]=4 594 B11R1.279 COc1ccc(c(c1)S)OC TS12831 [1,1,0,0,0,0|1,0,1]=4 595 B11R1.279 COc1ccc(cc1Br)C#N TS09329 [1,1,0,0,0,0|1,0,1]=4 596 B11R1.279 COc1ccc(cc1Br)C=O TS44639 [1,1,0,0,0,0|1,0,0]=3 597 B11R1.279 COc1ccc(cc1Br)CN TS21977 [1,1,0,0,0,0|1,0,0]=3 598 B11R1.279 COc1ccc(cc1Br)CO TS59850 [1,1,0,0,0,0|1,0,0]=3 599 B11R1.279 COc1ccc(cc1Cl)C#N TS32933 [1,1,0,0,0,0|1,0,1]=4 600 B11R1.279 COc1ccc(cc1Cl)C=O TS12915 [1,1,0,0,0,0|1,0,0]=3 601 B11R1.279 COc1ccc(cc1Cl)CN TS02023 [1,1,0,0,0,0|1,0,0]=3 602 B11R1.279 COc1ccc(cc1Cl)CN TS02698 [1,1,0,0,0,0|1,0,0]=3 603 B11R1.279 COc1ccc(cc1F)C#N TS40985 [1,1,0,0,0,0|1,0,1]=4 604 B11R1.279 COc1ccc(cc1F)CBr TS65514 [1,1,0,0,0,0|1,0,0]=3 605 B11R1.279 COc1ccc(cc1F)CN TS41508 [1,1,0,0,0,0|1,0,0]=3 606 B11R1.279 COc1ccc(cc1F)CO TS41603 [1,1,0,0,0,0|1,0,0]=3 607 B11R1.279 COc1ccc(cc1F)[Mg]Br TS52886 [1,1,0,0,0,0|2,0,0]=4 608 B11R1.279 COc1ccc(cc1I)C=O TS08986 [1,1,0,0,0,0|1,0,0]=3 609 B11R1.279 COc1ccc(cc1O)C#N TS70607 [1,1,0,0,0,0|1,0,1]=4 610 B11R1.279 COc1ccc(cc1O)C=O TS70606 [1,1,0,0,0,0|1,0,0]=3 611 B11R1.279 COc1ccc(cc1O)CN TS16250 [1,1,0,0,0,0|1,0,0]=3 612 B11R1.279 COc1ccc(cc1O)CO TS10408 [1,1,0,0,0,0|1,0,0]=3 613 B11R1.279 Cc1cc(ccc1C#C)OC TS07228 [1,1,0,0,0,0|0,0,2]=4 614 B11R1.279 Cc1cc(ccc1C=O)OC TS01123 [1,1,0,0,0,0|1,0,0]=3 615 B11R1.279 Cc1cc(ccc1NN)OC TS16092 [1,1,0,0,0,0|2,0,0]=4 616 B11R1.279 Cc1cc(ccc1OC)C=O TS01858 [1,1,0,0,0,0|1,0,0]=3 617 B11R1.279 Cc1cc(ccc1OC)CCl TS12934 [1,1,0,0,0,0|1,0,0]=3 618 B11R1.279 Cc1cc(ccc1OC)CO TS41137 [1,1,0,0,0,0|1,0,0]=3 619 B11R1.279 Cc1cc(ccc1OC)OC TS65348 [1,1,0,0,0,0|1,0,1]=4 620 B11R1.279 Cc1cc(ccc1SC)OC TS44908 [1,1,0,0,0,0|1,0,1]=4 621 B11R1.279 Cc1cc(ncc1C=O)OC TS02257 [1,1,0,0,0,0|2,0,0]=4 622 B13R1.4 COc1ccc(cc1)CP(=O)(O)O TS19331 [0,2,0,0,0,0|2,0,0]=4 623 B13R1.5 CC(Cc1ccc(cc1)OC)C=O TS14230 [0,2,0,0,0,0|0,0,1]=3 624 B13R1.5 CCC(=O)Nc1ccc(cc1)OC TS47733 [0,2,0,0,0,0|1,0,1]=4 625 B13R1.5 CCC(=O)Oc1ccc(cc1)OC TS47912 [0,2,0,0,0,0|1,0,1]=4 626 B13R1.5 COc1ccc(cc1)CC(=O)NN TS46546 [0,2,0,0,0,0|1,0,0]=3 627 B13R1.5 COc1ccc(cc1)CC(=O)OC TS14607 [0,2,0,0,0,0|0,0,1]=3 628 B13R1.5 COc1ccc(cc1)NC(=O)CBr TS61957 [0,2,0,0,0,0|1,0,1]=4 629 B13R1.5 COc1ccc(cc1)NC(=O)CCl TS37797 [0,2,0,0,0,0|1,0,1]=4 630 B13R1.5 COc1ccc(cc1)NC(=O)OC TS48078 [0,2,0,0,0,0|1,0,1]=4 631 B13R1.5 COc1ccc(cc1)NC(=S)NN TS18484 [0,2,0,0,0,0|2,0,0]=4 632 B13R1.35 CC(=O)Cc1ccc(c(c1)O)OC TS47882 [0,2,0,0,0,0|0,0,1]=3 633 B13R1.35 CC(=O)Nc1ccc(c(c1)N)OC TS47927 [0,2,0,0,0,0|1,0,1]=4 634 B13R1.35 COc1ccc(cc1Br)CC(=O)O TS09330 [0,2,0,0,0,0|1,0,0]=3 635 B13R1.35 COc1ccc(cc1F)CC(=C)Br TS27274 [0,2,0,0,0,0|0,0,0]=2 636 B13R1.35 COc1ccc(cc1F)CC(=O)O TS48541 [0,2,0,0,0,0|1,0,0]=3 637 B13R1.35 COc1ccc(cc1O)CC(=O)O TS00156 [0,2,0,0,0,0|1,0,0]=3 638 B13R1.35 Cc1cc(ccc1OC)CC(=O)C TS14235 [0,2,0,0,0,0|0,0,1]=3 639 B13R1.35 Cc1cc(ccc1OC)CC(=O)O TS07811 [0,2,0,0,0,0|1,0,0]=3 640 B13R1.36 COc1ccc(cc1)C(C(=O)O)N TS48072 [0,2,0,0,0,0|1,0,0]=3 641 B13R1.36 COc1ccc(cc1)C(C(=O)O)O TS14920 [0,2,0,0,0,0|1,0,0]=3 642 B13R1.36 COc1ccc(cc1)[C@@H](C(=O)O)N TS48073 [0,2,0,0,0,0|1,0,0]=3 643 B13R1.36 COc1ccc(cc1)[C@H](C(=O)O)O TS48231 [0,2,0,0,0,0|1,0,0]=3 644 B13R1.142 CCCc1ccc(cc1)CC(=O)O TS47571 [0,2,0,0,0,0|2,0,0]=4 645 B13R1.142 CCOc1ccc(cc1)CC(=O)O TS14599 [0,2,0,0,0,0|1,0,0]=3 646 B13R1.142 CCOc1ccc(cc1)NC(=O)C TS14397 [0,2,0,0,0,0|1,0,1]=4 647 B13R1.142 CCOc1ccc(cc1)NC(=O)N TS47930 [0,2,0,0,0,0|2,0,0]=4 648 B13R1.142 CCOc1ccc(cc1)NC(=S)N TS46716 [0,2,0,0,0,0|2,0,0]=4 649 B13R1.142 CNCc1ccc(cc1)OC(F)F TS15770 [0,2,0,0,0,0|1,0,1]=4 650 B13R1.142 c1cc(ccc1CC#N)OC(F)F TS15098 [0,2,0,0,0,0|1,0,1]=4 651 B13R1.142 c1cc(ccc1CCN)CC(=N)N TS46331 [0,2,0,0,0,0|2,0,0]=4 652 B13R1.142 c1cc(ccc1CCN)CC(=O)O TS47720 [0,2,0,0,0,0|2,0,0]=4 653 B13R1.585 CC(C)c1ccc(cc1)CC(=O)C TS13904 [0,2,0,0,0,0|1,0,1]=4 654 B13R1.585 CC(C)c1ccc(cc1)CC(=O)O TS09731 [0,2,0,0,0,0|2,0,0]=4 655 B13R1.585 CN(C)c1ccc(cc1)CC(=O)O TS47731 [0,2,0,0,0,0|2,0,0]=4 656 B13R1.653 COc1ccc(c(c1)Br)CC(=O)O TS27266 [0,2,0,0,0,0|1,0,0]=3 657 B13R1.653 COc1ccc(c(c1)F)CC(=O)O TS59969 [0,2,0,0,0,0|1,0,0]=3 658 B13R1.39 COc1ccc(cc1)C(=CO)C=O TS47508 [0,2,0,0,0,0|1,0,1]=4 659 B13R1.39 COc1ccc(cc1)C(C=O)C=O TS47522 [0,2,0,0,0,0|1,0,0]=3 660 B13R1.39 COc1ccc(cc1)C(OC)OC TS00236 [0,2,0,0,0,0|1,0,1]=4 661 B13R1.139 CCOc1ccc(cc1)C(=O)C=O TS47524 [0,2,0,0,0,0|1,0,1]=4 662 B13R1.139 COC(=O)c1ccc(cc1)CC#N TS01851 [0,2,0,0,0,0|1,0,1]=4 663 B13R1.139 COC(=O)c1ccc(cc1)CCN TS14403 [0,2,0,0,0,0|1,0,1]=4 664 B13R1.139 COC(=O)c1ccc(cc1)CCN TS44747 [0,2,0,0,0,0|1,0,1]=4 665 B13R1.187 CC(C)(C#N)c1ccc(cc1)OC TS13717 [0,2,0,0,0,0|1,0,1]=4 666 B13R1.187 COc1ccc(cc1)S(=O)(=O)C=C TS54035 [0,2,0,0,0,0|1,0,0]=3 667 B13R1.452 CCCC(=O)c1ccc(cc1)OC TS14242 [0,2,0,0,0,0|0,0,2]=4 668 B13R1.452 COc1ccc(cc1)C(=O)CC#N TS13682 [0,2,0,0,0,0|1,0,1]=4 669 B13R1.452 COc1ccc(cc1)C(=O)CCCl TS32934 [0,2,0,0,0,0|1,0,1]=4 670 B13R1.452 COc1ccc(cc1)C(CCO)N TS48102 [0,2,0,0,0,0|0,0,2]=4 671 B13R1.452 COc1ccc(cc1)[C@@H](CCO)N TS14816 [0,2,0,0,0,0|0,0,2]=4 672 B13R1.452 COc1ccc(cc1)[C@H](CCO)N TS48115 [0,2,0,0,0,0|0,0,2]=4 673 B13R1.537 CC(C)c1ccc(cc1)C(C)C=O TS13898 [0,2,0,0,0,0|2,0,0]=4 674 B13R1.3 CC(=C[SiH2]c1ccc(cc1)OC)C TS17559 [0,2,0,0,0,0|0,1,0]=3 675 B13R1.3 CC(=O)CCc1ccc(cc1)OC TS47574 [0,2,0,0,0,0|0,0,1]=3 676 B13R1.3 CC(=O)COc1ccc(cc1)OC TS14584 [0,2,0,0,0,0|0,0,1]=3 677 B13R1.3 CC(=O)OCc1ccc(cc1)OC TS47886 [0,2,0,0,0,0|0,0,1]=3 678 B13R1.3 CC(COc1ccc(cc1)OC)O TS14974 [0,2,0,0,0,0|0,0,2]=4 679 B13R1.3 CCc1ccc(cc1)OCC(=O)O TS14580 [0,2,0,0,0,0|2,0,0]=4 680 B13R1.3 COc1ccc(cc1)C=CC(=O)Cl TS53773 [0,2,0,0,0,0|0,0,1]=3 681 B13R1.3 COc1ccc(cc1)CCC(=O)N TS47737 [0,2,0,0,0,0|0,0,1]=3 682 B13R1.3 COc1ccc(cc1)CNC(=S)N TS53710 [0,2,0,0,0,0|1,0,0]=3 683 B13R1.3 COc1ccc(cc1)OCC(=O)N TS48068 [0,2,0,0,0,0|1,0,0]=3 684 B13R1.3 COc1ccc(cc1)OCC(=O)O TS03155 [0,2,0,0,0,0|1,0,0]=3 685 B13R1.3 COc1ccc(cc1)OCC(=S)N TS18470 [0,2,0,0,0,0|1,0,0]=3 686 B13R1.74 CN(C)c1ccc(cc1)C=CC=O TS45991 [0,2,0,0,0,0|1,0,1]=4 687 B13R1.77 CCCCc1ccc(cc1)CC=C TS45845 [0,2,0,0,0,0|1,0,0]=3 688 B13R1.371 CCCCCc1ccc(cc1)OC TS14270 [0,2,0,0,0,0|0,0,2]=4 689 B13R1.371 COc1ccc(cc1)CCCCN TS22778 [0,2,0,0,0,0|0,0,2]=4 690 B13R1.371 COc1ccc(cc1)CCCCO TS09537 [0,2,0,0,0,0|0,0,2]=4 691 B13R1.577 COc1ccc(cc1N)NCCO TS47048 [0,2,0,0,0,0|1,0,1]=4 692 B13R1.140 CC(C)(C)c1ccc(cc1)CC=C TS13560 [0,2,0,0,0,0|1,0,0]=3 693 B13R1.388 CCOc1ccc(cc1O)C=CC TS47560 [0,2,0,0,0,0|0,0,2]=4 694 B13R1.1249 CNCc1ccc(cc1OC)OC TS64928 [0,2,0,0,0,0|1,0,1]=4 695 B13R1.1249 COc1ccc(c(c1)OC)CCN TS48109 [0,2,0,0,0,0|1,0,1]=4 696 B13R1.1249 COc1ccc(c(c1)OC)CCO TS14967 [0,2,0,0,0,0|1,0,1]=4 697 B13R1.2901 Cc1cc(c(cc1OC)C)CC#N TS13715 [0,2,0,0,0,0|1,0,1]=4 698 B13R1.386 CC=Cc1ccc(c(c1)OC)OC TS47559 [0,2,0,0,0,0|0,0,2]=4 699 B13R1.386 CCCc1ccc(c(c1)OC)OC TS47958 [0,2,0,0,0,0|0,0,2]=4 700 B13R1.386 COc1ccc(cc1OC)CC=C TS47565 [0,2,0,0,0,0|0,0,0]=2 701 B13R1.386 COc1ccc(cc1OC)CCN TS02556 [0,2,0,0,0,0|1,0,1]=4 702 B13R1.386 COc1ccc(cc1OC)CCN TS48110 [0,2,0,0,0,0|1,0,1]=4 703 B11R1.13 Cc1cccc(c1O)CC=C TS07465 [0,0,1,1,0,0|2,0,0]=4 704 B11R1.25 COC(=O)C=Cc1cccs1 TS44888 [0,0,1,1,0,0|2,0,0]=4 705 B11R2.36 Cc1cc2cc[nH]c2nc1 TS36683 [1,0,0,1,0,0|2,0,0]=4 706 B11R2.36 Cc1ccc2c(c1)NCC2 TS36773 [1,0,0,1,0,0|1,0,1]=4 707 B11R2.36 Cc1ccc2c(c1)[nH]cn2 TS36687 [1,0,0,1,0,0|2,0,0]=4 708 B11R2.36 Cc1ccc2c(c1)cc[nH]2 TS01156 [1,0,0,1,0,0|1,0,0]=3 709 B11R2.36 Cc1ccc2c(c1)ccs2 TS01153 [1,0,0,1,0,0|1,0,0]=3 710 B11R2.36 Cc1ccc2c(c1)cn[nH]2 TS55476 [1,0,0,1,0,0|2,0,0]=4 711 B11R2.36 Cc1ccc2c(c1)nco2 TS36750 [1,0,0,1,0,0|2,0,0]=4 712 B11R2.36 Cc1ccc2c(c1)ocn2 TS36747 [1,0,0,1,0,0|2,0,0]=4 713 B11R2.36 Cc1ccc2c(c1)scn2 TS07592 [1,0,0,1,0,0|2,0,0]=4 714 B11R2.36 Cc1ccc2c(n1)cc[nH]2 TS05745 [1,0,0,1,0,0|2,0,0]=4 715 B11R2.36 Cc1ccc2cc[nH]c2c1 TS01264 [1,0,0,1,0,0|1,0,1]=4 716 B11R2.36 Cc1ccc2cc[nH]c2c1 TS11552 [1,0,0,1,0,0|1,0,1]=4 717 B11R2.36 Cc1ccc2nccn2c1 TS05746 [1,0,0,1,0,0|2,0,0]=4 718 B11R2.36 c1c[nH]c2c1cc(cn2)O TS00458 [1,0,0,1,0,0|2,0,0]=4 719 B11R2.36 c1cc(cc2c1cc[nH]2)O TS55608 [1,0,0,1,0,0|1,0,1]=4 720 B11R2.36 c1cc2c(cc1Br)C=CC2 TS03252 [1,0,0,1,0,0|1,0,0]=3 721 B11R2.36 c1cc2c(cc1Cl)C=CC2 TS09974 [1,0,0,1,0,0|1,0,0]=3 722 B11R2.36 c1cc2c(cc1F)C=CC2 TS05891 [1,0,0,1,0,0|1,0,0]=3 723 B11R2.36 c1cc2c(cc1O)CCC2 TS36851 [1,0,0,1,0,0|0,0,2]=4 724 B11R2.36 c1cc2c(cc1O)cn[nH]2 TS46952 [1,0,0,1,0,0|2,0,0]=4 725 B11R2.36 c1cc2c(cc[nH]2)cc1Br TS71465 [1,0,0,1,0,0|2,0,0]=4 726 B11R2.36 c1cc2c(cc[nH]2)cc1Br TS94754 [1,0,0,1,0,0|2,0,0]=4 727 B11R2.36 c1cc2c(cc[nH]2)cc1Cl TS71514 [1,0,0,1,0,0|2,0,0]=4 728 B11R2.36 c1cc2c(cc[nH]2)cc1F TS03319 [1,0,0,1,0,0|2,0,0]=4 729 B11R2.36 c1cc2c(cc[nH]2)cc1I TS26961 [1,0,0,1,0,0|2,0,0]=4 730 B11R2.36 c1cc2c(cc[nH]2)cc1N TS36684 [1,0,0,1,0,0|2,0,0]=4 731 B11R2.36 c1cc2c(cc[nH]2)cc1O TS03333 [1,0,0,1,0,0|1,0,0]=3 732 B11R2.36 c1cc2c(cco2)cc1Br TS71455 [1,0,0,1,0,0|2,0,0]=4 733 B11R2.36 c1cc2c(cco2)cc1N TS36754 [1,0,0,1,0,0|2,0,0]=4 734 B11R2.36 c1cc2c(ccs2)cc1Br TS71466 [1,0,0,1,0,0|2,0,0]=4 735 B11R2.36 c1cc2c(ccs2)cc1Br TS93234 [1,0,0,1,0,0|2,0,0]=4 736 B11R2.36 c1cc2c(ccs2)cc1Cl TS71511 [1,0,0,1,0,0|2,0,0]=4 737 B11R2.36 c1cc2c(ccs2)cc1N TS60421 [1,0,0,1,0,0|2,0,0]=4 738 B11R2.36 c1cc2nccn2cc1O TS36824 [1,0,0,1,0,0|2,0,0]=4 739 B11R2.190 c1cc2c(cc1C=O)C=C2 TS05540 [1,0,0,1,0,0|2,0,0]=4 740 B13R2.2121 COc1ccc2=NC(=O)N=c2c1 TS42704 [0,1,0,1,0,0|2,0,0]=4 741 B13R2.2121 COc1ccc2c(c1)CC(=O)C2 TS03349 [0,1,0,1,0,0|0,0,1]=3 742 B13R2.2121 COc1ccc2c(c1)NC(=O)C2 TS55619 [0,1,0,1,0,0|1,0,0]=3 743 B13R2.2121 COc1ccc2c(c1)[nH]c(=S)[nH]2 TS93745 [0,1,0,1,0,0|2,0,0]=4 744 B13R2.2121 COc1ccc2c(c1)[nH]c(n2)Cl TS48360 [0,1,0,1,0,0|2,0,0]=4 745 B13R2.2121 COc1ccc2c(c1)sc(=O)[nH]2 TS01253 [0,1,0,1,0,0|2,0,0]=4 746 B13R2.2121 COc1ccc2c(c1)sc(n2)Br TS08365 [0,1,0,1,0,0|2,0,0]=4 747 B13R2.2121 COc1ccc2c(c1)sc(n2)Cl TS55268 [0,1,0,1,0,0|2,0,0]=4 748 B13R2.2121 COc1ccc2c(c1)sc(n2)N TS47455 [0,1,0,1,0,0|2,0,0]=4 749 B13R2.2121 Cc1[nH]c2cc(ccc2n1)OC TS11556 [0,1,0,1,0,0|1,0,1]=4 750 B13R2.2121 Cc1cc2cc(ccc2[nH]1)OC TS08757 [0,1,0,1,0,0|1,0,0]=3 751 B13R2.2121 Cc1nc2cc(ccc2[se]1)OC TS24130 [0,1,0,1,0,0|1,0,1]=4 752 B13R2.2121 Cc1nc2cc(ccc2o1)OC TS11697 [0,1,0,1,0,0|1,0,1]=4 753 B13R2.2121 Cc1nc2cc(ccc2s1)OC TS39284 [0,1,0,1,0,0|1,0,1]=4 754 B13R2.2121 Cc1nc2ccc(cc2s1)OC TS14444 [0,1,0,1,0,0|1,0,1]=4 755 B13R2.186 COc1ccc(cc1)C2(CC2)N TS11721 [0,1,0,1,0,0|0,0,2]=4 756 B13R2.2130 COc1ccc2c(c1)CCC2N TS11725 [0,1,0,1,0,0|0,0,2]=4 757 B13R2.57 CCc1ccc2ccccc2c1 TS41663 [0,1,0,1,0,0|1,0,1]=4 758 B13R2.57 CNc1ccc2ccccc2c1 TS41809 [0,1,0,1,0,0|1,0,1]=4 759 B13R2.57 COc1ccc2c(c1)C=CCC2 TS42197 [0,1,0,1,0,0|0,0,0]=2 760 B13R2.57 COc1ccc2c(c1)CCCN2 TS01248 [0,1,0,1,0,0|0,0,2]=4 761 B13R2.57 COc1ccc2c(c1)CCNC2 TS11727 [0,1,0,1,0,0|0,0,2]=4 762 B13R2.57 COc1ccc2c(c1)CCNC2 TS18911 [0,1,0,1,0,0|0,0,2]=4 763 B13R2.57 COc1ccc2c(c1)NCCC2 TS55683 [0,1,0,1,0,0|0,0,2]=4 764 B13R2.57 COc1ccc2c(c1)NCCO2 TS12016 [0,1,0,1,0,0|1,0,1]=4 765 B13R2.57 COc1ccc2c(c1)cccn2 TS11122 [0,1,0,1,0,0|0,0,1]=3 766 B13R2.57 COc1ccc2c(c1)nccn2 TS42162 [0,1,0,1,0,0|1,0,0]=3 767 B13R2.57 COc1ccc2ccccc2c1 TS10994 [0,1,0,1,0,0|0,0,1]=3 768 B13R2.57 COc1ccc2ccncc2c1 TS55688 [0,1,0,1,0,0|0,0,1]=3 769 B13R2.57 COc1ccc2cnccc2c1 TS65174 [0,1,0,1,0,0|0,0,1]=3 770 B13R2.57 CSc1ccc2ccccc2c1 TS45829 [0,1,0,1,0,0|0,1,1]=4 771 B13R2.669 COc1cc2c(c[nH]c2nc1)I TS74410 [0,1,0,1,0,0|2,0,0]=4 772 B13R2.669 COc1ccc2c(c1)C(=O)CC2 TS01251 [0,1,0,1,0,0|0,0,1]=3 773 B13R2.669 COc1ccc2c(c1)C(=O)CO2 TS42700 [0,1,0,1,0,0|1,0,0]=3 774 B13R2.669 COc1ccc2c(c1)C(=O)NC2 TS11700 [0,1,0,1,0,0|1,0,0]=3 775 B13R2.669 COc1ccc2c(c1)C(=O)OC2 TS11815 [0,1,0,1,0,0|1,0,0]=3 776 B13R2.669 COc1ccc2c(c1)C(CC2)N TS11714 [0,1,0,1,0,0|0,0,2]=4 777 B13R2.669 COc1ccc2c(c1)C(CC2)N TS18913 [0,1,0,1,0,0|0,0,2]=4 778 B13R2.669 COc1ccc2c(c1)C(CO2)N TS19279 [0,1,0,1,0,0|1,0,1]=4 779 B13R2.669 COc1ccc2c(c1)[C@@H](CC2)N TS89551 [0,1,0,1,0,0|0,0,2]=4 780 B13R2.669 COc1ccc2c(c1)[C@H](CC2)N TS87697 [0,1,0,1,0,0|0,0,2]=4 781 B13R2.669 COc1ccc2c(c1)c(c[nH]2)Br TS65931 [0,1,0,1,0,0|1,0,0]=3 782 B13R2.669 COc1ccc2c(c1)c(n[nH]2)I TS74412 [0,1,0,1,0,0|2,0,0]=4 783 B13R2.669 COc1ccc2c(c1)c(n[nH]2)O TS65090 [0,1,0,1,0,0|2,0,0]=4 784 B13R2.669 COc1ccc2c(n1)c(c[nH]2)I TS74413 [0,1,0,1,0,0|2,0,0]=4 785 B13R2.430 CC(=O)c1ccc2c(c1)cc[nH]2 TS11147 [0,1,0,1,0,0|2,0,0]=4 786 B13R2.430 c1cc2c(cc1[N+](=O)[O-])C=CC2 TS11382 [0,1,0,1,0,0|2,0,0]=4 787 B13R2.654 COc1cc2c(cc[nH]2)c(c1)Cl TS14854 [0,1,0,1,0,0|1,0,1]=4 788 B13R2.449 C=CCc1ccc2c(c1)OCO2 TS42437 [0,1,0,1,0,0|0,0,0]=2 789 B13R2.449 CC=Cc1ccc2c(c1)OCO2 TS11542 [0,1,0,1,0,0|0,0,2]=4 790 B13R2.449 CCCc1ccc2c(c1)OCO2 TS11851 [0,1,0,1,0,0|0,0,2]=4 791 B13R2.449 CCOc1ccc2c(c1)cn[nH]2 TS11565 [0,1,0,1,0,0|2,0,0]=4 792 B13R2.449 CCOc1ccc2cc[nH]c2c1 TS59622 [0,1,0,1,0,0|1,0,1]=4 793 B13R2.449 CNCc1ccc2c(c1)OCO2 TS42887 [0,1,0,1,0,0|1,0,1]=4 794 B13R2.449 c1cc2c(cc1CC#N)OCO2 TS11364 [0,1,0,1,0,0|1,0,1]=4 795 B13R2.449 c1cc2c(cc1CCBr)CCO2 TS71310 [0,1,0,1,0,0|1,0,1]=4 796 B13R2.449 c1cc2c(cc1CCCl)CCO2 TS94253 [0,1,0,1,0,0|1,0,1]=4 797 B13R2.449 c1cc2c(cc1CCN)OCO2 TS08537 [0,1,0,1,0,0|1,0,1]=4 798 B13R2.449 c1cc2c(cc1CCN)OCO2 TS19274 [0,1,0,1,0,0|1,0,1]=4 799 B13R2.449 c1cc2c(cc1CCO)OCO2 TS22867 [0,1,0,1,0,0|1,0,1]=4 800 B13R2.84 COc1cnc2c(c1Br)cc[nH]2 TS87511 [0,1,0,1,0,0|2,0,0]=4 801 B13R2.84 COc1cnc2c(c1Cl)cc[nH]2 TS89628 [0,1,0,1,0,0|2,0,0]=4 802 B13R2.84 COc1cnc2c(c1I)cc[nH]2 TS86410 [0,1,0,1,0,0|2,0,0]=4 803 B13R2.84 Cc1c2cc[nH]c2ccc1OC TS42310 [0,1,0,1,0,0|1,0,0]=3 804 B13R2.599 COc1cc2c(cc[nH]2)cc1Cl TS14847 [0,1,0,1,0,0|1,0,1]=4 805 B13R2.599 COc1cc2cc[nH]c2cc1F TS87805 [0,1,0,1,0,0|1,0,0]=3 806 B13R2.599 COc1cc2cn[nH]c2cc1Br TS89039 [0,1,0,1,0,0|2,0,0]=4 807 B13R2.599 COc1cc2cn[nH]c2cc1Cl TS88258 [0,1,0,1,0,0|2,0,0]=4