0 B11R1.24 CCCC[n+]1cccc(c1)C TS24837 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.24 CCNCc1cccc(c1)Br TS21623 [0,0,0,0,0,0|2,1,0]=3 2 B11R1.24 CCNCc1cccc(c1)Cl TS45055 [0,0,0,0,0,0|2,1,0]=3 3 B11R1.24 CCNCc1cccc(c1)F TS10327 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.24 CNCCc1cccc(c1)Cl TS12742 [0,0,0,0,0,0|0,1,0]=1 5 B11R1.24 CNCCc1cccc(c1)F TS10334 [0,0,0,0,0,0|0,0,0]=0 6 B11R1.24 Cc1cccc(c1)CCNC TS07599 [0,0,0,0,0,0|1,0,0]=1 7 B11R1.24 Cc1cccc(c1)CN=C=O TS07334 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.24 Cc1cccc(c1)CN=C=S TS42618 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.24 Cc1cccc(c1)CN=[N+]=[N-] TS07356 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.24 Cc1cccc(c1)NCCO TS41037 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.24 Cc1cccc(c1)OCCBr TS21831 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.24 Cc1cccc(c1)OCCO TS41130 [0,0,0,0,0,0|4,0,0]=4 13 B11R1.24 Cc1cccc(c1)SCCO TS44907 [0,0,0,0,0,0|4,0,0]=4 14 B11R1.24 [C-]#[N+]CCc1cccc(c1)F TS07563 [0,0,0,0,0,0|0,0,2]=2 15 B11R1.24 c1cc(cc(c1)Br)CCC#N TS20835 [0,0,0,0,0,0|2,1,0]=3 16 B11R1.24 c1cc(cc(c1)Br)OCCBr TS54287 [0,0,0,0,0,0|3,1,0]=4 17 B11R1.24 c1cc(cc(c1)Br)OCCF TS22534 [0,0,0,0,0,0|3,1,0]=4 18 B11R1.24 c1cc(cc(c1)Cl)CN=C=S TS15205 [0,0,0,0,0,0|3,1,0]=4 19 B11R1.24 c1cc(cc(c1)Cl)OCC#N TS43269 [0,0,0,0,0,0|3,1,0]=4 20 B11R1.24 c1cc(cc(c1)Cl)OCCBr TS25792 [0,0,0,0,0,0|3,1,0]=4 21 B11R1.24 c1cc(cc(c1)Cl)OCCO TS45563 [0,0,0,0,0,0|3,1,0]=4 22 B11R1.24 c1cc(cc(c1)F)CN=C=O TS40976 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.24 c1cc(cc(c1)F)CN=C=S TS12392 [0,0,0,0,0,0|3,0,0]=3 24 B11R1.24 c1cc(cc(c1)O)CCCO TS41149 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.24 c1cc(cc(c1)OCCO)O TS10404 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.10 C=CCc1cccc(c1)F TS36995 [1,0,0,0,0,0|0,0,2]=3 27 B10R1.10 CCCc1cccc(c1)C TS36863 [1,0,0,0,0,0|1,0,0]=2 28 B10R1.10 CCCc1cccc(c1)O TS70692 [1,0,0,0,0,0|1,0,0]=2 29 B10R1.10 CCCc1cccc(n1)N TS55636 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.10 CCCc1ccnc(c1)N TS06105 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.10 CCNc1cccc(c1)C TS06008 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.10 CCOc1cc(ccn1)Br TS39324 [1,0,0,0,0,0|2,1,0]=4 33 B10R1.10 CCOc1cc(ccn1)N TS39272 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.10 CCOc1cc(cnc1)Br TS32931 [1,0,0,0,0,0|2,1,0]=4 35 B10R1.10 CCOc1cccc(c1)Br TS65957 [1,0,0,0,0,0|1,1,0]=3 36 B10R1.10 CCOc1cccc(c1)C TS06098 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.10 CCOc1cccc(c1)F TS37372 [1,0,0,0,0,0|1,0,0]=2 38 B10R1.10 CCOc1cccc(c1)N TS37121 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.10 CCOc1cccc(c1)O TS06261 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.10 CCOc1cccc(c1)S TS41409 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.10 CCOc1cccc(n1)Br TS19319 [1,0,0,0,0,0|2,1,0]=4 42 B10R1.10 CCOc1cccc(n1)Cl TS41836 [1,0,0,0,0,0|2,1,0]=4 43 B10R1.10 CCOc1cccc(n1)N TS37195 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.10 CCOc1ccnc(c1)Cl TS10912 [1,0,0,0,0,0|2,1,0]=4 45 B10R1.10 CCOc1ccnc(c1)F TS06579 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.10 CCOc1ccnc(c1)N TS06274 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.10 CNCc1cc(ccn1)Br TS19154 [1,0,0,0,0,0|1,1,0]=3 48 B10R1.10 CNCc1cc(cnc1)Br TS19151 [1,0,0,0,0,0|1,1,0]=3 49 B10R1.10 CNCc1cccc(c1)Cl TS08974 [1,0,0,0,0,0|0,1,0]=2 50 B10R1.10 CNCc1cccc(c1)N TS37043 [1,0,0,0,0,0|1,0,0]=2 51 B10R1.10 CNCc1ccnc(c1)Cl TS41733 [1,0,0,0,0,0|1,1,0]=3 52 B10R1.10 COCc1cccc(c1)F TS37370 [1,0,0,0,0,0|1,0,0]=2 53 B10R1.10 Cc1cccc(c1)CC#N TS05673 [1,0,0,0,0,0|1,0,2]=4 54 B10R1.10 Cc1cccc(c1)CCBr TS54163 [1,0,0,0,0,0|2,0,0]=3 55 B10R1.10 Cc1cccc(c1)CCN TS45399 [1,0,0,0,0,0|1,0,0]=2 56 B10R1.10 Cc1cccc(c1)CCN TS70669 [1,0,0,0,0,0|1,0,0]=2 57 B10R1.10 Cc1cccc(c1)CCO TS37008 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.10 Cc1cccc(c1)CNC TS36964 [1,0,0,0,0,0|1,0,0]=2 59 B10R1.10 Cc1cccc(n1)CCO TS37109 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.10 Cc1cccc(n1)CNC TS65175 [1,0,0,0,0,0|2,0,0]=3 61 B10R1.10 c1c(cncc1Br)CNN TS92508 [1,0,0,0,0,0|2,1,0]=4 62 B10R1.10 c1c(cncc1F)CC#N TS90421 [1,0,0,0,0,0|1,0,2]=4 63 B10R1.10 c1cc(cc(c1)Br)CC#N TS09489 [1,0,0,0,0,0|0,1,2]=4 64 B10R1.10 c1cc(cc(c1)Br)CCN TS09479 [1,0,0,0,0,0|0,1,0]=2 65 B10R1.10 c1cc(cc(c1)Br)CCN TS37842 [1,0,0,0,0,0|0,1,0]=2 66 B10R1.10 c1cc(cc(c1)Br)CCO TS65956 [1,0,0,0,0,0|1,1,0]=3 67 B10R1.10 c1cc(cc(c1)Br)CNN TS85618 [1,0,0,0,0,0|1,1,0]=3 68 B10R1.10 c1cc(cc(c1)Br)CON TS26272 [1,0,0,0,0,0|1,1,0]=3 69 B10R1.10 c1cc(cc(c1)Br)C[Mg]Br TS33588 [1,0,0,0,0,0|2,1,0]=4 70 B10R1.10 c1cc(cc(c1)Cl)CC#N TS01789 [1,0,0,0,0,0|0,1,2]=4 71 B10R1.10 c1cc(cc(c1)Cl)CC=O TS10528 [1,0,0,0,0,0|1,1,1]=4 72 B10R1.10 c1cc(cc(c1)Cl)CCBr TS08143 [1,0,0,0,0,0|1,1,0]=3 73 B10R1.10 c1cc(cc(c1)Cl)CCN TS41558 [1,0,0,0,0,0|0,1,0]=2 74 B10R1.10 c1cc(cc(c1)Cl)CCO TS10796 [1,0,0,0,0,0|1,1,0]=3 75 B10R1.10 c1cc(cc(c1)Cl)CNN TS88866 [1,0,0,0,0,0|1,1,0]=3 76 B10R1.10 c1cc(cc(c1)Cl)CO[NH3+] TS17763 [1,0,0,0,0,0|1,1,1]=4 77 B10R1.10 c1cc(cc(c1)F)C=NO TS37269 [1,0,0,0,0,0|1,0,2]=4 78 B10R1.10 c1cc(cc(c1)F)CC#N TS70595 [1,0,0,0,0,0|0,0,2]=3 79 B10R1.10 c1cc(cc(c1)F)CC=O TS37173 [1,0,0,0,0,0|1,0,1]=3 80 B10R1.10 c1cc(cc(c1)F)CCBr TS32877 [1,0,0,0,0,0|1,0,0]=2 81 B10R1.10 c1cc(cc(c1)F)CCN TS70600 [1,0,0,0,0,0|0,0,0]=1 82 B10R1.10 c1cc(cc(c1)F)CCO TS37362 [1,0,0,0,0,0|1,0,0]=2 83 B10R1.10 c1cc(cc(c1)F)CNN TS88510 [1,0,0,0,0,0|1,0,0]=2 84 B10R1.10 c1cc(cc(c1)F)CON TS93853 [1,0,0,0,0,0|1,0,0]=2 85 B10R1.10 c1cc(cc(c1)F)N=C=O TS37081 [1,0,0,0,0,0|2,0,1]=4 86 B10R1.10 c1cc(cc(c1)F)N=C=S TS10317 [1,0,0,0,0,0|2,0,1]=4 87 B10R1.10 c1cc(cc(c1)I)CC#N TS26962 [1,0,0,0,0,0|0,1,2]=4 88 B10R1.10 c1cc(cc(c1)N)CCO TS06195 [1,0,0,0,0,0|2,0,0]=3 89 B10R1.10 c1cc(cc(c1)O)CCN TS39688 [1,0,0,0,0,0|1,0,0]=2 90 B10R1.10 c1cc(cc(c1)O)CCO TS06255 [1,0,0,0,0,0|2,0,0]=3 91 B10R1.10 c1cc(cc(c1)O)CCO TS06258 [1,0,0,0,0,0|2,0,0]=3 92 B10R1.10 c1cc(cc(c1)O)CNN TS43951 [1,0,0,0,0,0|2,0,0]=3 93 B10R1.10 c1cnc(cc1CCN)Br TS49022 [1,0,0,0,0,0|1,1,0]=3 94 B10R1.17 C#CCCc1ccccc1 TS36511 [1,0,0,0,0,0|1,0,1]=3 95 B10R1.17 C#CCOc1ccccc1 TS36668 [1,0,0,0,0,0|2,0,1]=4 96 B10R1.17 C#CCSc1ccccc1 TS07496 [1,0,0,0,0,0|2,0,1]=4 97 B10R1.17 C=CCCc1ccccc1 TS36707 [1,0,0,0,0,0|1,0,1]=3 98 B10R1.17 C=CCCc1ccncc1 TS36777 [1,0,0,0,0,0|2,0,1]=4 99 B10R1.17 C=CCNc1ccccc1 TS05848 [1,0,0,0,0,0|2,0,1]=4 100 B10R1.17 C=CCOc1ccccc1 TS36847 [1,0,0,0,0,0|2,0,1]=4 101 B10R1.17 C=CCSc1ccccc1 TS40921 [1,0,0,0,0,0|2,0,1]=4 102 B10R1.17 CC=CCc1ccccc1 TS36709 [1,0,0,0,0,0|1,0,1]=3 103 B10R1.17 CCC#Cc1ccccc1 TS36516 [1,0,0,0,0,0|1,0,2]=4 104 B10R1.17 CCC=Cc1ccccc1 TS36700 [1,0,0,0,0,0|1,0,2]=4 105 B10R1.17 CCCC[n+]1ccccc1 TS21989 [1,0,0,0,0,0|2,0,0]=3 106 B10R1.17 CCCC[n+]1ccccc1 TS45400 [1,0,0,0,0,0|2,0,0]=3 107 B10R1.17 CCCCc1ccccc1 TS36870 [1,0,0,0,0,0|1,0,0]=2 108 B10R1.17 CCCCc1ccccn1 TS06002 [1,0,0,0,0,0|2,0,0]=3 109 B10R1.17 CCCCc1cccnc1 TS06012 [1,0,0,0,0,0|2,0,0]=3 110 B10R1.17 CCCCc1ccncc1 TS06014 [1,0,0,0,0,0|2,0,0]=3 111 B10R1.17 CCCNc1ccccc1 TS36942 [1,0,0,0,0,0|2,0,0]=3 112 B10R1.17 CCCOc1ccccc1 TS37010 [1,0,0,0,0,0|2,0,0]=3 113 B10R1.17 CCCSc1ccccc1 TS41194 [1,0,0,0,0,0|2,0,0]=3 114 B10R1.17 CCN=Cc1ccccc1 TS05847 [1,0,0,0,0,0|2,0,1]=4 115 B10R1.17 CCNCc1ccccc1 TS06015 [1,0,0,0,0,0|2,0,0]=3 116 B10R1.17 CCNCc1ccncc1 TS37037 [1,0,0,0,0,0|3,0,0]=4 117 B10R1.17 CCOCc1ccccc1 TS37009 [1,0,0,0,0,0|2,0,0]=3 118 B10R1.17 CCSCc1ccccc1 TS41200 [1,0,0,0,0,0|2,0,0]=3 119 B10R1.17 CNCCc1ccccc1 TS01606 [1,0,0,0,0,0|0,0,0]=1 120 B10R1.17 CNCCc1ccccn1 TS37041 [1,0,0,0,0,0|1,0,0]=2 121 B10R1.17 CNCCc1ccccn1 TS63536 [1,0,0,0,0,0|1,0,0]=2 122 B10R1.17 CNCCc1ccccn1 TS65180 [1,0,0,0,0,0|1,0,0]=2 123 B10R1.17 CNCCc1cccnc1 TS08004 [1,0,0,0,0,0|1,0,0]=2 124 B10R1.17 CNCCc1ccncc1 TS37035 [1,0,0,0,0,0|1,0,0]=2 125 B10R1.17 COC=Cc1ccccc1 TS36842 [1,0,0,0,0,0|1,0,2]=4 126 B10R1.17 COC=Nc1ccccc1 TS36922 [1,0,0,0,0,0|2,0,1]=4 127 B10R1.17 COCCc1ccccc1 TS06081 [1,0,0,0,0,0|1,0,0]=2 128 B10R1.17 COCCc1ccccn1 TS06192 [1,0,0,0,0,0|2,0,0]=3 129 B10R1.17 COCOc1ccccc1 TS06260 [1,0,0,0,0,0|2,0,0]=3 130 B10R1.17 COCOc1cccnc1 TS06375 [1,0,0,0,0,0|3,0,0]=4 131 B10R1.17 COCSc1ccccc1 TS10468 [1,0,0,0,0,0|2,0,0]=3 132 B10R1.17 CSCOc1ccccc1 TS10467 [1,0,0,0,0,0|2,0,0]=3 133 B10R1.17 CSSCc1ccccc1 TS12900 [1,0,0,0,0,0|2,0,0]=3 134 B10R1.17 [C-]#[N+]CCc1ccccc1 TS05666 [1,0,0,0,0,0|0,0,2]=3 135 B10R1.17 c1cc(cnc1)CCC#N TS05740 [1,0,0,0,0,0|3,0,0]=4 136 B10R1.17 c1cc(cnc1)CCCO TS37116 [1,0,0,0,0,0|3,0,0]=4 137 B10R1.17 c1ccc(cc1)CCC#N TS56176 [1,0,0,0,0,0|2,0,0]=3 138 B10R1.17 c1ccc(cc1)CCC=O TS01796 [1,0,0,0,0,0|2,0,0]=3 139 B10R1.17 c1ccc(cc1)CCCCl TS41470 [1,0,0,0,0,0|2,0,0]=3 140 B10R1.17 c1ccc(cc1)CCCN TS36954 [1,0,0,0,0,0|2,0,0]=3 141 B10R1.17 c1ccc(cc1)CCCO TS37013 [1,0,0,0,0,0|2,0,0]=3 142 B10R1.17 c1ccc(cc1)CCCS TS41196 [1,0,0,0,0,0|2,0,0]=3 143 B10R1.17 c1ccc(cc1)CCNN TS06106 [1,0,0,0,0,0|1,0,0]=2 144 B10R1.17 c1ccc(cc1)CN=C=O TS36745 [1,0,0,0,0,0|3,0,0]=4 145 B10R1.17 c1ccc(cc1)CN=C=S TS40764 [1,0,0,0,0,0|3,0,0]=4 146 B10R1.17 c1ccc(cc1)CN=[N+]=[N-] TS36764 [1,0,0,0,0,0|2,0,1]=4 147 B10R1.17 c1ccc(cc1)CNC=O TS36937 [1,0,0,0,0,0|3,0,0]=4 148 B10R1.17 c1ccc(cc1)COC=O TS36984 [1,0,0,0,0,0|3,0,0]=4 149 B10R1.17 c1ccc(cc1)COCCl TS39818 [1,0,0,0,0,0|3,0,0]=4 150 B10R1.17 c1ccc(cc1)CSC#N TS07591 [1,0,0,0,0,0|3,0,0]=4 151 B10R1.17 c1ccc(cc1)CSCBr TS22173 [1,0,0,0,0,0|3,0,0]=4 152 B10R1.17 c1ccc(cc1)CSCCl TS13275 [1,0,0,0,0,0|3,0,0]=4 153 B10R1.17 c1ccc(cc1)C[Se]C#N TS53598 [1,0,0,0,0,0|3,0,0]=4 154 B10R1.17 c1ccc(cc1)NCCN TS37036 [1,0,0,0,0,0|3,0,0]=4 155 B10R1.17 c1ccc(cc1)NCCO TS37110 [1,0,0,0,0,0|3,0,0]=4 156 B10R1.17 c1ccc(cc1)OCC=O TS36991 [1,0,0,0,0,0|3,0,0]=4 157 B10R1.17 c1ccc(cc1)OCCBr TS55768 [1,0,0,0,0,0|3,0,0]=4 158 B10R1.17 c1ccc(cc1)OCCCl TS10798 [1,0,0,0,0,0|3,0,0]=4 159 B10R1.17 c1ccc(cc1)OCCN TS65630 [1,0,0,0,0,0|3,0,0]=4 160 B10R1.17 c1ccc(cc1)OCCO TS06243 [1,0,0,0,0,0|3,0,0]=4 161 B10R1.17 c1ccc(cc1)SCC#N TS40766 [1,0,0,0,0,0|3,0,0]=4 162 B10R1.17 c1ccc(cc1)SCCBr TS49223 [1,0,0,0,0,0|3,0,0]=4 163 B10R1.17 c1ccc(cc1)SCCCl TS13277 [1,0,0,0,0,0|3,0,0]=4 164 B10R1.17 c1ccc(cc1)SCCO TS10471 [1,0,0,0,0,0|3,0,0]=4 165 B10R1.17 c1ccnc(c1)CCCCl TS10631 [1,0,0,0,0,0|3,0,0]=4 166 B10R1.17 c1ccnc(c1)CCCO TS02471 [1,0,0,0,0,0|3,0,0]=4 167 B10R1.17 c1cnccc1CCCN TS37023 [1,0,0,0,0,0|3,0,0]=4 168 B10R1.17 c1cnccc1CCCO TS37120 [1,0,0,0,0,0|3,0,0]=4 169 B12R1.17 CCCC(=O)c1cccc(c1)C TS42482 [0,1,0,0,0,0|2,0,1]=4 170 B12R1.17 CCOC(=O)c1cccc(c1)F TS44848 [0,1,0,0,0,0|2,0,1]=4 171 B12R1.17 CNCC(=O)c1cccc(c1)O TS38166 [0,1,0,0,0,0|1,0,1]=3 172 B12R1.17 CNCC(=O)c1cccc(c1)O TS62149 [0,1,0,0,0,0|1,0,1]=3 173 B12R1.17 CNCC(c1cccc(c1)O)O TS38514 [0,1,0,0,0,0|1,0,0]=2 174 B12R1.17 CNCC(c1cccc(c1)O)O TS43246 [0,1,0,0,0,0|1,0,0]=2 175 B12R1.17 CNC[C@@H](c1cccc(c1)O)O TS33090 [0,1,0,0,0,0|1,0,0]=2 176 B12R1.17 CNC[C@@H](c1cccc(c1)O)O TS61333 [0,1,0,0,0,0|1,0,0]=2 177 B12R1.17 Cc1cccc(c1)C(CCO)N TS12058 [0,1,0,0,0,0|3,0,0]=4 178 B12R1.17 c1cc(cc(c1)Br)C(CCO)N TS52950 [0,1,0,0,0,0|2,1,0]=4 179 B12R1.17 c1cc(cc(c1)Cl)C(CCO)N TS48811 [0,1,0,0,0,0|2,1,0]=4 180 B12R1.17 c1cc(cc(c1)F)C(=O)CC#N TS11674 [0,1,0,0,0,0|2,0,1]=4 181 B12R1.17 c1cc(cc(c1)F)C(CCO)N TS12684 [0,1,0,0,0,0|2,0,0]=3 182 B12R1.17 c1cc(cc(c1)N)C(CCO)N TS43119 [0,1,0,0,0,0|3,0,0]=4 183 B12R1.17 c1cc(cc(c1)O)C(CCO)N TS43252 [0,1,0,0,0,0|3,0,0]=4 184 B12R1.25 CCCOc1cccc(c1F)F TS13133 [0,1,0,0,0,0|2,0,0]=3 185 B12R1.25 c1cc(c(c(c1)F)F)CCC#N TS43192 [0,1,0,0,0,0|2,0,0]=3 186 B12R1.28 CCCCCc1cccc(=O)o1 TS12253 [0,1,0,0,0,0|3,0,0]=4 187 B12R1.28 CCCCCc1cccc(c1)O TS42792 [0,1,0,0,0,0|2,0,0]=3 188 B12R1.28 CCCCNc1cccc(c1)C TS11758 [0,1,0,0,0,0|2,0,0]=3 189 B12R1.28 CCCCOc1cccc(c1)O TS12260 [0,1,0,0,0,0|2,0,0]=3 190 B12R1.28 Cc1cccc(c1)NCCC#N TS11287 [0,1,0,0,0,0|3,0,0]=4 191 B12R1.28 Cc1cccc(c1)OCCCBr TS24687 [0,1,0,0,0,0|3,0,0]=4 192 B12R1.50 COC(=O)Cc1cccc(c1)Cl TS32710 [0,1,0,0,0,0|1,1,1]=4 193 B12R1.50 COC(=O)Cc1cccc(c1)F TS12507 [0,1,0,0,0,0|1,0,1]=3 194 B12R1.50 COC(=O)Cc1cccc(c1)N TS65476 [0,1,0,0,0,0|2,0,1]=4 195 B12R1.50 COC(=O)Cc1cccc(c1)O TS60013 [0,1,0,0,0,0|2,0,1]=4 196 B12R1.50 Cc1cccc(c1)CC(=O)OC TS42759 [0,1,0,0,0,0|2,0,1]=4 197 B12R1.50 Cc1cccc(c1)OC(=O)NC TS12018 [0,1,0,0,0,0|2,0,1]=4 198 B12R1.50 c1cc(cc(c1)Cl)CC(=O)NN TS48671 [0,1,0,0,0,0|1,1,1]=4 199 B12R1.50 c1cc(cc(c1)F)NC(=O)NN TS44985 [0,1,0,0,0,0|2,0,1]=4 200 B12R1.226 Cc1cccc(c1)CCC(=O)O TS11878 [0,1,0,0,0,0|3,0,0]=4 201 B12R1.226 Cc1cccc(c1)OCC(C)O TS43103 [0,1,0,0,0,0|3,0,0]=4 202 B12R1.226 c1cc(cc(c1)Br)CCC(=O)O TS09412 [0,1,0,0,0,0|2,1,0]=4 203 B12R1.226 c1cc(cc(c1)F)CCC(=O)O TS44844 [0,1,0,0,0,0|2,0,0]=3 204 B12R1.226 c1cc(cc(c1)F)OCC(=O)O TS07856 [0,1,0,0,0,0|3,0,0]=4 205 B12R1.226 c1cc(cc(c1)I)CCC(=O)O TS31076 [0,1,0,0,0,0|2,1,0]=4 206 B12R1.226 c1cc(cc(c1)N)CCC(=O)O TS09411 [0,1,0,0,0,0|3,0,0]=4 207 B12R1.226 c1cc(cc(c1)N)CCC(=O)O TS19280 [0,1,0,0,0,0|3,0,0]=4 208 B12R1.226 c1cc(cc(c1)O)CCC(=O)O TS43037 [0,1,0,0,0,0|3,0,0]=4 209 B12R1.382 CNc1cccc(c1)CCCO TS02840 [0,1,0,0,0,0|3,0,0]=4 210 B12R1.382 COCOc1cccc(c1)C=O TS12186 [0,1,0,0,0,0|3,0,0]=4 211 B12R1.382 COc1cccc(c1)CCCN TS42939 [0,1,0,0,0,0|3,0,0]=4 212 B12R1.382 COc1cccc(c1)CCCO TS12259 [0,1,0,0,0,0|3,0,0]=4 213 B12R1.385 CCCCc1ccc(c(c1)C)I TS74425 [0,1,0,0,0,0|2,0,0]=3 214 B12R1.385 CCCCc1ccc(c(c1)C)N TS42636 [0,1,0,0,0,0|2,0,0]=3 215 B12R1.385 CCCCc1ccc(c(c1)O)O TS12262 [0,1,0,0,0,0|2,0,0]=3 216 B12R1.385 CCCOc1ccc(c(c1)N)N TS39514 [0,1,0,0,0,0|3,0,0]=4 217 B12R1.385 CCCSc1ccc(c(c1)N)N TS15035 [0,1,0,0,0,0|3,0,0]=4 218 B12R1.385 CNCCc1ccc(c(c1)O)O TS01599 [0,1,0,0,0,0|1,0,0]=2 219 B12R2.24 Cc1ccc2c(c1)CCCC2 TS07265 [0,0,0,1,0,0|2,0,0]=3 220 B12R2.24 Cc1ccc2c(c1)CCCN2 TS46763 [0,0,0,1,0,0|3,0,0]=4 221 B12R2.24 Cc1ccc2c(c1)CCNC2 TS85130 [0,0,0,1,0,0|1,0,0]=2 222 B12R2.24 Cc1ccc2c(c1)CNCC2 TS15211 [0,0,0,1,0,0|3,0,0]=4 223 B12R2.24 Cc1ccc2c(c1)CNCC2 TS55689 [0,0,0,1,0,0|3,0,0]=4 224 B12R2.24 Cc1ccc2c(c1)NCCC2 TS15213 [0,0,0,1,0,0|3,0,0]=4 225 B12R2.24 Cc1ccc2c(n1)CCCC2 TS07372 [0,0,0,1,0,0|3,0,0]=4 226 B12R2.24 c1c(cnc2c1CCNC2)Br TS86787 [0,0,0,1,0,0|1,1,0]=3 227 B12R2.24 c1c2c(nc(n1)Cl)CCNC2 TS90397 [0,0,0,1,0,0|2,1,0]=4 228 B12R2.24 c1cc(nc2c1CNCC2)Cl TS00905 [0,0,0,1,0,0|1,1,0]=3 229 B12R2.24 c1cc2c(cc1Br)CCCN2 TS86204 [0,0,0,1,0,0|2,1,0]=4 230 B12R2.24 c1cc2c(cc1Br)CCCO2 TS21450 [0,0,0,1,0,0|2,1,0]=4 231 B12R2.24 c1cc2c(cc1Br)CCNC2 TS27817 [0,0,0,1,0,0|0,1,0]=2 232 B12R2.24 c1cc2c(cc1Br)CCNC2 TS90722 [0,0,0,1,0,0|0,1,0]=2 233 B12R2.24 c1cc2c(cc1Br)CNCC2 TS55650 [0,0,0,1,0,0|2,1,0]=4 234 B12R2.24 c1cc2c(cc1Br)CNCC2 TS55651 [0,0,0,1,0,0|2,1,0]=4 235 B12R2.24 c1cc2c(cc1Br)NCCC2 TS55652 [0,0,0,1,0,0|2,1,0]=4 236 B12R2.24 c1cc2c(cc1Br)OCOC2 TS44635 [0,0,0,1,0,0|2,1,0]=4 237 B12R2.24 c1cc2c(cc1Cl)CCNC2 TS00906 [0,0,0,1,0,0|0,1,0]=2 238 B12R2.24 c1cc2c(cc1Cl)CCNC2 TS60093 [0,0,0,1,0,0|0,1,0]=2 239 B12R2.24 c1cc2c(cc1Cl)NCCC2 TS38541 [0,0,0,1,0,0|2,1,0]=4 240 B12R2.24 c1cc2c(cc1F)C=CCC2 TS07450 [0,0,0,1,0,0|1,0,2]=4 241 B12R2.24 c1cc2c(cc1F)CCNC2 TS10052 [0,0,0,1,0,0|0,0,0]=1 242 B12R2.24 c1cc2c(cc1F)CCNC2 TS59734 [0,0,0,1,0,0|0,0,0]=1 243 B12R2.24 c1cc2c(cc1F)CNCC2 TS10056 [0,0,0,1,0,0|2,0,0]=3 244 B12R2.24 c1cc2c(cc1F)CNCC2 TS85147 [0,0,0,1,0,0|2,0,0]=3 245 B12R2.24 c1cc2c(cc1F)NCCO2 TS46567 [0,0,0,1,0,0|3,0,0]=4 246 B12R2.24 c1cc2c(cc1I)CNCC2 TS35828 [0,0,0,1,0,0|2,1,0]=4 247 B12R2.24 c1cc2c(cc1N)CCCC2 TS40565 [0,0,0,1,0,0|2,0,0]=3 248 B12R2.24 c1cc2c(cc1N)CNCC2 TS40670 [0,0,0,1,0,0|3,0,0]=4 249 B12R2.24 c1cc2c(cc1N)NCCC2 TS01293 [0,0,0,1,0,0|3,0,0]=4 250 B12R2.24 c1cc2c(cc1O)CCCC2 TS16959 [0,0,0,1,0,0|2,0,0]=3 251 B12R2.24 c1cc2c(cc1O)CCCC2 TS94705 [0,0,0,1,0,0|2,0,0]=3 252 B12R2.24 c1cc2c(cc1O)CCCN2 TS01238 [0,0,0,1,0,0|3,0,0]=4 253 B12R2.24 c1cc2c(cc1O)CCNC2 TS46766 [0,0,0,1,0,0|1,0,0]=2 254 B12R2.24 c1cc2c(cc1O)CCNC2 TS52947 [0,0,0,1,0,0|1,0,0]=2 255 B12R2.203 Cc1cccc2c1C(=O)CC2 TS07220 [0,0,0,1,0,0|3,0,0]=4 256 B12R2.203 Cn1c2c(cccc2Br)cn1 TS91630 [0,0,0,1,0,0|1,1,1]=4 257 B12R2.203 Cn1c2c(cccc2N)cn1 TS86297 [0,0,0,1,0,0|2,0,1]=4 258 B12R2.203 c1cc2c(c(c1)Br)C(=O)CC2 TS16489 [0,0,0,1,0,0|2,1,0]=4 259 B12R2.203 c1cc2c(c(c1)Cl)C(=O)CC2 TS12305 [0,0,0,1,0,0|2,1,0]=4 260 B12R2.203 c1cc2c(c(c1)F)C(=O)CC2 TS16516 [0,0,0,1,0,0|2,0,0]=3 261 B12R2.203 c1cc2c(c(c1)I)C(=O)CC2 TS00569 [0,0,0,1,0,0|2,1,0]=4 262 B12R2.203 c1cc2c(c(c1)N)C(=O)CC2 TS40530 [0,0,0,1,0,0|3,0,0]=4 263 B12R2.203 c1cc2c(c(c1)O)C(=O)CC2 TS85148 [0,0,0,1,0,0|3,0,0]=4 264 B12R2.612 C[C@@H]1c2ccc(cc2CN1)Br TS93564 [0,0,0,1,0,0|2,1,0]=4 265 B12R2.612 Cc1c2ccc(cc2on1)F TS40981 [0,0,0,1,0,0|3,0,0]=4 266 B12R2.612 Cc1ccc2c(c1)CCC2=O TS55480 [0,0,0,1,0,0|3,0,0]=4 267 B12R2.612 Cn1c2ccc(cc2cn1)Br TS88567 [0,0,0,1,0,0|1,1,1]=4 268 B12R2.612 Cn1c2ccc(cc2cn1)N TS00017 [0,0,0,1,0,0|2,0,1]=4 269 B12R2.612 Cn1c2ccc(cc2cn1)N TS00471 [0,0,0,1,0,0|2,0,1]=4 270 B12R2.612 Cn1ccc2c1ccc(c2)Br TS71397 [0,0,0,1,0,0|0,1,2]=4 271 B12R2.612 Cn1ccc2c1ccc(c2)N TS59908 [0,0,0,1,0,0|1,0,2]=4 272 B12R2.612 c1cc2c(cc1Br)CCC2=O TS71462 [0,0,0,1,0,0|2,1,0]=4 273 B12R2.612 c1cc2c(cc1Cl)CCC2=O TS09822 [0,0,0,1,0,0|2,1,0]=4 274 B12R2.612 c1cc2c(cc1F)CCC2=O TS71530 [0,0,0,1,0,0|2,0,0]=3 275 B12R2.612 c1cc2c(cc1F)COC2=O TS41090 [0,0,0,1,0,0|3,0,0]=4 276 B12R2.612 c1cc2c(cc1F)OCC2=O TS41087 [0,0,0,1,0,0|3,0,0]=4 277 B12R2.612 c1cc2c(cc1I)CCC2=O TS68075 [0,0,0,1,0,0|2,1,0]=4 278 B12R2.612 c1cc2c(cc1N)CCC2=O TS71374 [0,0,0,1,0,0|3,0,0]=4 279 B12R2.612 c1cc2c(cc1O)CCC2=O TS71567 [0,0,0,1,0,0|3,0,0]=4 280 B12R2.1081 Cc1cccc2c1CCCC2 TS40462 [0,0,0,1,0,0|2,0,0]=3 281 B12R2.1081 Cc1cccc2c1CCCN2 TS48500 [0,0,0,1,0,0|3,0,0]=4 282 B12R2.1081 Cc1cccc2c1CCNC2 TS15210 [0,0,0,1,0,0|3,0,0]=4 283 B12R2.1081 Cc1cccc2c1NCCC2 TS01868 [0,0,0,1,0,0|3,0,0]=4 284 B12R2.1081 c1[nH]c(=O)c2c(n1)CCNC2 TS71330 [0,0,0,1,0,0|3,0,0]=4 285 B12R2.1081 c1cc(c2c(c1)NCCC2)N TS40664 [0,0,0,1,0,0|3,0,0]=4 286 B12R2.1081 c1cc2c(c(c1)Br)CCCN2 TS02060 [0,0,0,1,0,0|2,1,0]=4 287 B12R2.1081 c1cc2c(c(c1)Br)CCCO2 TS21453 [0,0,0,1,0,0|2,1,0]=4 288 B12R2.1081 c1cc2c(c(c1)Br)CCNC2 TS32800 [0,0,0,1,0,0|2,1,0]=4 289 B12R2.1081 c1cc2c(c(c1)Br)CCNC2 TS88532 [0,0,0,1,0,0|2,1,0]=4 290 B12R2.1081 c1cc2c(c(c1)Br)CNCC2 TS90020 [0,0,0,1,0,0|0,1,0]=2 291 B12R2.1081 c1cc2c(c(c1)Cl)CCCN2 TS38538 [0,0,0,1,0,0|2,1,0]=4 292 B12R2.1081 c1cc2c(c(c1)Cl)CCNC2 TS38535 [0,0,0,1,0,0|2,1,0]=4 293 B12R2.1081 c1cc2c(c(c1)Cl)CNCC2 TS38539 [0,0,0,1,0,0|0,1,0]=2 294 B12R2.1081 c1cc2c(c(c1)Cl)CNCC2 TS43287 [0,0,0,1,0,0|0,1,0]=2 295 B12R2.1081 c1cc2c(c(c1)F)CCC=C2 TS07449 [0,0,0,1,0,0|1,0,2]=4 296 B12R2.1081 c1cc2c(c(c1)F)CCCN2 TS50633 [0,0,0,1,0,0|2,0,0]=3 297 B12R2.1081 c1cc2c(c(c1)F)OCCN2 TS55703 [0,0,0,1,0,0|3,0,0]=4 298 B12R2.1081 c1cc2c(c(c1)I)CCNC2 TS35827 [0,0,0,1,0,0|2,1,0]=4 299 B12R2.1081 c1cc2c(c(c1)N)CCCC2 TS16958 [0,0,0,1,0,0|2,0,0]=3 300 B12R2.1081 c1cc2c(c(c1)N)CCNC2 TS40666 [0,0,0,1,0,0|3,0,0]=4 301 B12R2.1081 c1cc2c(c(c1)N)NCCC2 TS40683 [0,0,0,1,0,0|3,0,0]=4 302 B12R2.1081 c1cc2c(c(c1)O)CC=CC2 TS07217 [0,0,0,1,0,0|2,0,1]=4 303 B12R2.1081 c1cc2c(c(c1)O)CCCC2 TS07482 [0,0,0,1,0,0|2,0,0]=3 304 B12R2.1081 c1cc2c(c(c1)O)NCCC2 TS55705 [0,0,0,1,0,0|3,0,0]=4 305 B12R2.1081 c1cc2c(n(=O)c1)CCCC2 TS40747 [0,0,0,1,0,0|3,0,0]=4 306 B12R2.1081 c1nc2c(c(n1)Cl)CNCC2 TS09656 [0,0,0,1,0,0|2,1,0]=4 307 B12R2.2313 c1cc(cc(c1)Br)C2COC2 TS91734 [0,0,0,1,0,0|1,1,0]=3 308 B10R1.16 CCCCc1ccc(s1)C TS10505 [0,0,0,0,1,0|3,0,0]=4 309 B9R0.45 CCCCC=CC=CC=O TS37223 [1,0,1,0,0,0|2,0,0]=4 310 B9R1.2 C#Cc1cccc(c1)F TS70602 [2,0,0,0,0,0|0,0,2]=4 311 B9R1.2 C=Cc1cccc(c1)F TS32503 [2,0,0,0,0,0|0,0,2]=4 312 B9R1.2 CC[n+]1cccc(c1)O TS38523 [2,0,0,0,0,0|2,0,0]=4 313 B9R1.2 CCc1cc(cnc1)Br TS91617 [2,0,0,0,0,0|1,1,0]=4 314 B9R1.2 CCc1cccc(c1)Br TS32764 [2,0,0,0,0,0|0,1,0]=3 315 B9R1.2 CCc1cccc(c1)C TS04835 [2,0,0,0,0,0|1,0,0]=3 316 B9R1.2 CCc1cccc(c1)N TS32463 [2,0,0,0,0,0|1,0,0]=3 317 B9R1.2 CCc1cccc(c1)O TS04895 [2,0,0,0,0,0|1,0,0]=3 318 B9R1.2 CCc1cccc(n1)C TS32466 [2,0,0,0,0,0|2,0,0]=4 319 B9R1.2 CCc1cccc(n1)N TS60098 [2,0,0,0,0,0|2,0,0]=4 320 B9R1.2 CCc1ccnc(c1)Br TS48833 [2,0,0,0,0,0|1,1,0]=4 321 B9R1.2 CCc1ccnc(c1)C TS32469 [2,0,0,0,0,0|2,0,0]=4 322 B9R1.2 CCc1ccnc(c1)N TS71108 [2,0,0,0,0,0|2,0,0]=4 323 B9R1.2 CNc1cc(ccn1)Cl TS37689 [2,0,0,0,0,0|1,1,0]=4 324 B9R1.2 CNc1cccc(c1)Br TS48829 [2,0,0,0,0,0|0,1,0]=3 325 B9R1.2 CNc1cccc(c1)Cl TS37535 [2,0,0,0,0,0|0,1,0]=3 326 B9R1.2 CNc1cccc(c1)F TS70598 [2,0,0,0,0,0|0,0,0]=2 327 B9R1.2 CNc1cccc(n1)Cl TS94212 [2,0,0,0,0,0|1,1,0]=4 328 B9R1.2 COc1cc(ccn1)F TS05258 [2,0,0,0,0,0|2,0,0]=4 329 B9R1.2 COc1cccc(c1)Br TS00028 [2,0,0,0,0,0|1,1,0]=4 330 B9R1.2 COc1cccc(c1)Cl TS37686 [2,0,0,0,0,0|1,1,0]=4 331 B9R1.2 COc1cccc(c1)F TS70591 [2,0,0,0,0,0|1,0,0]=3 332 B9R1.2 COc1cccc(c1)I TS39445 [2,0,0,0,0,0|1,1,0]=4 333 B9R1.2 COc1cccc(c1)N TS02081 [2,0,0,0,0,0|2,0,0]=4 334 B9R1.2 COc1cccc(c1)N TS11191 [2,0,0,0,0,0|2,0,0]=4 335 B9R1.2 COc1cccc(c1)O TS39714 [2,0,0,0,0,0|2,0,0]=4 336 B9R1.2 COc1cccc(c1)S TS70650 [2,0,0,0,0,0|2,0,0]=4 337 B9R1.2 COc1cccc(c1)[Zn+] TS74541 [2,0,0,0,0,0|2,0,0]=4 338 B9R1.2 CSc1cccc(c1)Br TS60340 [2,0,0,0,0,0|1,1,0]=4 339 B9R1.2 CSc1cccc(c1)Cl TS42003 [2,0,0,0,0,0|1,1,0]=4 340 B9R1.2 CSc1cccc(c1)F TS60012 [2,0,0,0,0,0|1,0,0]=3 341 B9R1.2 CSc1cccc(c1)I TS27987 [2,0,0,0,0,0|1,1,0]=4 342 B9R1.2 CSc1cccc(c1)N TS02674 [2,0,0,0,0,0|2,0,0]=4 343 B9R1.2 Cc1cccc(c1)CBr TS00037 [2,0,0,0,0,0|2,0,0]=4 344 B9R1.2 Cc1cccc(c1)CCl TS37460 [2,0,0,0,0,0|2,0,0]=4 345 B9R1.2 Cc1cccc(c1)CN TS04866 [2,0,0,0,0,0|1,0,0]=3 346 B9R1.2 Cc1cccc(c1)CO TS04903 [2,0,0,0,0,0|2,0,0]=4 347 B9R1.2 Cc1cccc(c1)CS TS06306 [2,0,0,0,0,0|2,0,0]=4 348 B9R1.2 Cc1cccc(c1)C[Zn+] TS38912 [2,0,0,0,0,0|2,0,0]=4 349 B9R1.2 Cc1cccc(c1)NC TS32467 [2,0,0,0,0,0|1,0,0]=3 350 B9R1.2 Cc1cccc(c1)NN TS04918 [2,0,0,0,0,0|2,0,0]=4 351 B9R1.2 Cc1cccc(c1)NN TS41997 [2,0,0,0,0,0|2,0,0]=4 352 B9R1.2 Cc1cccc(c1)OC TS32509 [2,0,0,0,0,0|2,0,0]=4 353 B9R1.2 Cc1cccc(n1)CN TS01962 [2,0,0,0,0,0|2,0,0]=4 354 B9R1.2 Cc1ccnc(c1)CN TS04912 [2,0,0,0,0,0|2,0,0]=4 355 B9R1.2 c1c(cncc1Br)CN TS49021 [2,0,0,0,0,0|1,1,0]=4 356 B9R1.2 c1c(cncc1F)CCl TS91777 [2,0,0,0,0,0|2,0,0]=4 357 B9R1.2 c1c(cncc1F)CN TS90364 [2,0,0,0,0,0|1,0,0]=3 358 B9R1.2 c1c(cncc1F)CO TS86069 [2,0,0,0,0,0|2,0,0]=4 359 B9R1.2 c1c[nH]c(=O)cc1CN TS90761 [2,0,0,0,0,0|2,0,0]=4 360 B9R1.2 c1cc(cc(c1)Br)CBr TS09487 [2,0,0,0,0,0|1,1,0]=4 361 B9R1.2 c1cc(cc(c1)Br)CCl TS09488 [2,0,0,0,0,0|1,1,0]=4 362 B9R1.2 c1cc(cc(c1)Br)CN TS09486 [2,0,0,0,0,0|0,1,0]=3 363 B9R1.2 c1cc(cc(c1)Br)CN TS23568 [2,0,0,0,0,0|0,1,0]=3 364 B9R1.2 c1cc(cc(c1)Br)CO TS09485 [2,0,0,0,0,0|1,1,0]=4 365 B9R1.2 c1cc(cc(c1)Br)CS TS19525 [2,0,0,0,0,0|1,1,0]=4 366 B9R1.2 c1cc(cc(c1)Br)NN TS65962 [2,0,0,0,0,0|1,1,0]=4 367 B9R1.2 c1cc(cc(c1)Cl)CBr TS02030 [2,0,0,0,0,0|1,1,0]=4 368 B9R1.2 c1cc(cc(c1)Cl)CCl TS01788 [2,0,0,0,0,0|1,1,0]=4 369 B9R1.2 c1cc(cc(c1)Cl)CN TS02029 [2,0,0,0,0,0|0,1,0]=3 370 B9R1.2 c1cc(cc(c1)Cl)CO TS02715 [2,0,0,0,0,0|1,1,0]=4 371 B9R1.2 c1cc(cc(c1)F)C#N TS70592 [2,0,0,0,0,0|0,0,2]=4 372 B9R1.2 c1cc(cc(c1)F)C=O TS16744 [2,0,0,0,0,0|1,0,1]=4 373 B9R1.2 c1cc(cc(c1)F)CBr TS70593 [2,0,0,0,0,0|1,0,0]=3 374 B9R1.2 c1cc(cc(c1)F)CCl TS70594 [2,0,0,0,0,0|1,0,0]=3 375 B9R1.2 c1cc(cc(c1)F)CN TS39435 [2,0,0,0,0,0|0,0,0]=2 376 B9R1.2 c1cc(cc(c1)F)CO TS39434 [2,0,0,0,0,0|1,0,0]=3 377 B9R1.2 c1cc(cc(c1)F)CS TS06688 [2,0,0,0,0,0|1,0,0]=3 378 B9R1.2 c1cc(cc(c1)I)CBr TS70629 [2,0,0,0,0,0|1,1,0]=4 379 B9R1.2 c1cc(cc(c1)I)CN TS53419 [2,0,0,0,0,0|0,1,0]=3 380 B9R1.2 c1cc(cc(c1)I)CN TS73918 [2,0,0,0,0,0|0,1,0]=3 381 B9R1.2 c1cc(cc(c1)I)CO TS53549 [2,0,0,0,0,0|1,1,0]=4 382 B9R1.2 c1cc(cc(c1)N)CN TS32516 [2,0,0,0,0,0|1,0,0]=3 383 B9R1.2 c1cc(cc(c1)N)CO TS59603 [2,0,0,0,0,0|2,0,0]=4 384 B9R1.2 c1cc(cc(c1)O)CBr TS49013 [2,0,0,0,0,0|2,0,0]=4 385 B9R1.2 c1cc(cc(c1)O)CCl TS37687 [2,0,0,0,0,0|2,0,0]=4 386 B9R1.2 c1cc(cc(c1)O)CO TS32602 [2,0,0,0,0,0|2,0,0]=4 387 B9R1.2 c1cc(cc(c1)[Mg]Br)F TS37776 [2,0,0,0,0,0|2,0,0]=4 388 B9R1.2 c1cc(nc(c1)Br)CN TS49016 [2,0,0,0,0,0|1,1,0]=4 389 B9R1.2 c1cnc(cc1Br)CN TS39553 [2,0,0,0,0,0|1,1,0]=4 390 B9R1.2 c1cnc(cc1Br)CN TS87352 [2,0,0,0,0,0|1,1,0]=4 391 B9R1.2 c1cnc(cc1CN)Cl TS06803 [2,0,0,0,0,0|1,1,0]=4 392 B9R1.2 c1cnc(cc1CN)N TS03001 [2,0,0,0,0,0|2,0,0]=4 393 B9R1.2 c1cnc(cc1CO)F TS36210 [2,0,0,0,0,0|2,0,0]=4 394 B9R1.2 c1cnc(cc1Cl)CN TS37691 [2,0,0,0,0,0|1,1,0]=4 395 B9R1.2 c1cnc(cc1Cl)CN TS44724 [2,0,0,0,0,0|1,1,0]=4 396 B9R1.8 C#CCc1ccccc1 TS32230 [2,0,0,0,0,0|0,0,2]=4 397 B9R1.8 C=CCc1ccccc1 TS32347 [2,0,0,0,0,0|0,0,2]=4 398 B9R1.8 CC#Cc1ccccc1 TS04599 [2,0,0,0,0,0|0,0,2]=4 399 B9R1.8 CC=Cc1ccccc1 TS32346 [2,0,0,0,0,0|0,0,2]=4 400 B9R1.8 CCC[n+]1ccccc1 TS38202 [2,0,0,0,0,0|1,0,0]=3 401 B9R1.8 CCCc1ccccc1 TS04832 [2,0,0,0,0,0|0,0,0]=2 402 B9R1.8 CCCc1ccccn1 TS85359 [2,0,0,0,0,0|1,0,0]=3 403 B9R1.8 CCCc1cnccn1 TS59984 [2,0,0,0,0,0|2,0,0]=4 404 B9R1.8 CCNc1ccccc1 TS04869 [2,0,0,0,0,0|1,0,0]=3 405 B9R1.8 CCOc1ccccc1 TS04896 [2,0,0,0,0,0|1,0,0]=3 406 B9R1.8 CCOc1ccccn1 TS55309 [2,0,0,0,0,0|2,0,0]=4 407 B9R1.8 CCOc1ccncc1 TS04974 [2,0,0,0,0,0|2,0,0]=4 408 B9R1.8 CCSc1ccccc1 TS06299 [2,0,0,0,0,0|1,0,0]=3 409 B9R1.8 CNCc1ccccc1 TS01938 [2,0,0,0,0,0|0,0,0]=2 410 B9R1.8 CNCc1ccccn1 TS51966 [2,0,0,0,0,0|1,0,0]=3 411 B9R1.8 CNCc1cccnc1 TS02609 [2,0,0,0,0,0|1,0,0]=3 412 B9R1.8 CNCc1ccncc1 TS65238 [2,0,0,0,0,0|1,0,0]=3 413 B9R1.8 CNCc1ccncn1 TS32568 [2,0,0,0,0,0|2,0,0]=4 414 B9R1.8 CNCc1cnccn1 TS01556 [2,0,0,0,0,0|2,0,0]=4 415 B9R1.8 CNCc1cncnc1 TS91331 [2,0,0,0,0,0|2,0,0]=4 416 B9R1.8 CNCc1ncccn1 TS90445 [2,0,0,0,0,0|2,0,0]=4 417 B9R1.8 CNNc1ccccc1 TS85406 [2,0,0,0,0,0|1,0,0]=3 418 B9R1.8 COCc1ccccc1 TS04897 [2,0,0,0,0,0|1,0,0]=3 419 B9R1.8 COCc1ccccn1 TS00518 [2,0,0,0,0,0|2,0,0]=4 420 B9R1.8 CSCc1ccccc1 TS06309 [2,0,0,0,0,0|1,0,0]=3 421 B9R1.8 CSSc1ccccc1 TS41708 [2,0,0,0,0,0|2,0,0]=4 422 B9R1.8 [C-]#[N+]Cc1ccccc1 TS04681 [2,0,0,0,0,0|0,0,2]=4 423 B9R1.8 c1cc(cnc1)CCN TS41995 [2,0,0,0,0,0|1,0,0]=3 424 B9R1.8 c1cc(cnc1)CCN TS65667 [2,0,0,0,0,0|1,0,0]=3 425 B9R1.8 c1cc(cnc1)CCO TS39614 [2,0,0,0,0,0|2,0,0]=4 426 B9R1.8 c1cc(cnc1)CNN TS87066 [2,0,0,0,0,0|2,0,0]=4 427 B9R1.8 c1ccc(cc1)C=CN TS55760 [2,0,0,0,0,0|0,0,2]=4 428 B9R1.8 c1ccc(cc1)C=NN TS04817 [2,0,0,0,0,0|1,0,1]=4 429 B9R1.8 c1ccc(cc1)CC#N TS04678 [2,0,0,0,0,0|0,0,2]=4 430 B9R1.8 c1ccc(cc1)CCBr TS15419 [2,0,0,0,0,0|1,0,0]=3 431 B9R1.8 c1ccc(cc1)CCCl TS37454 [2,0,0,0,0,0|1,0,0]=3 432 B9R1.8 c1ccc(cc1)CCI TS25156 [2,0,0,0,0,0|1,0,0]=3 433 B9R1.8 c1ccc(cc1)CCN TS22602 [2,0,0,0,0,0|0,0,0]=2 434 B9R1.8 c1ccc(cc1)CCN TS65627 [2,0,0,0,0,0|0,0,0]=2 435 B9R1.8 c1ccc(cc1)CCO TS04901 [2,0,0,0,0,0|1,0,0]=3 436 B9R1.8 c1ccc(cc1)CCS TS06307 [2,0,0,0,0,0|1,0,0]=3 437 B9R1.8 c1ccc(cc1)CC[Zn+] TS62914 [2,0,0,0,0,0|1,0,0]=3 438 B9R1.8 c1ccc(cc1)CNN TS09177 [2,0,0,0,0,0|1,0,0]=3 439 B9R1.8 c1ccc(cc1)CNN TS21284 [2,0,0,0,0,0|1,0,0]=3 440 B9R1.8 c1ccc(cc1)CNO TS01934 [2,0,0,0,0,0|1,0,0]=3 441 B9R1.8 c1ccc(cc1)CNO TS93618 [2,0,0,0,0,0|1,0,0]=3 442 B9R1.8 c1ccc(cc1)C[Mg]Br TS52066 [2,0,0,0,0,0|2,0,0]=4 443 B9R1.8 c1ccc(cc1)C[Mg]Cl TS40953 [2,0,0,0,0,0|2,0,0]=4 444 B9R1.8 c1ccc(cc1)SCCl TS42004 [2,0,0,0,0,0|2,0,0]=4 445 B9R1.8 c1ccc(cc1)[SiH2]CCl TS10803 [2,0,0,0,0,0|1,1,0]=4 446 B9R1.8 c1ccnc(c1)CCCl TS37532 [2,0,0,0,0,0|2,0,0]=4 447 B9R1.8 c1ccnc(c1)CCN TS04914 [2,0,0,0,0,0|1,0,0]=3 448 B9R1.8 c1ccnc(c1)CCN TS17997 [2,0,0,0,0,0|1,0,0]=3 449 B9R1.8 c1ccnc(c1)CCO TS04967 [2,0,0,0,0,0|2,0,0]=4 450 B9R1.8 c1ccnc(c1)CNN TS87756 [2,0,0,0,0,0|2,0,0]=4 451 B9R1.8 c1cnc(cn1)CCN TS32564 [2,0,0,0,0,0|2,0,0]=4 452 B9R1.8 c1cnccc1CCN TS09522 [2,0,0,0,0,0|1,0,0]=3 453 B9R1.8 c1cnccc1CCO TS70737 [2,0,0,0,0,0|2,0,0]=4 454 B9R1.8 c1cnccc1CCS TS06395 [2,0,0,0,0,0|2,0,0]=4 455 B9R1.8 c1cnccc1CCS TS46022 [2,0,0,0,0,0|2,0,0]=4 456 B9R1.8 c1cnccc1CNN TS85585 [2,0,0,0,0,0|2,0,0]=4 457 B9R1.8 c1cncnc1CCN TS86707 [2,0,0,0,0,0|2,0,0]=4 458 B11R1.13 CCNc1cccc(c1C)C TS40772 [1,1,0,0,0,0|2,0,0]=4 459 B11R1.13 CCNc1cccc(c1Cl)Cl TS51011 [1,1,0,0,0,0|1,1,0]=4 460 B11R1.13 CCOc1cccc(c1F)F TS59507 [1,1,0,0,0,0|1,0,0]=3 461 B11R1.13 c1cc(c(c(c1)Cl)Cl)CCN TS51010 [1,1,0,0,0,0|0,1,0]=3 462 B11R1.13 c1cc(c(c(c1)Cl)Cl)CCN TS51019 [1,1,0,0,0,0|0,1,0]=3 463 B11R1.13 c1cc(c(c(c1)Cl)Cl)CCO TS17227 [1,1,0,0,0,0|1,1,0]=4 464 B11R1.13 c1cc(c(c(c1)F)F)CC#N TS02341 [1,1,0,0,0,0|0,0,2]=4 465 B11R1.13 c1cc(c(c(c1)F)F)CCO TS10940 [1,1,0,0,0,0|1,0,0]=3 466 B11R1.23 CCC(=O)c1cccc(c1)C TS40654 [1,1,0,0,0,0|1,0,1]=4 467 B11R1.23 CCC(=O)c1cccc(c1)Cl TS12612 [1,1,0,0,0,0|0,1,1]=4 468 B11R1.23 CCC(=O)c1cccc(c1)F TS02767 [1,1,0,0,0,0|0,0,1]=3 469 B11R1.23 CCC(=O)c1cccc(c1)N TS40743 [1,1,0,0,0,0|1,0,1]=4 470 B11R1.23 CCC(=O)c1cccc(c1)O TS02798 [1,1,0,0,0,0|1,0,1]=4 471 B11R1.23 CCN(c1cccc(c1)C)N TS09936 [1,1,0,0,0,0|2,0,0]=4 472 B11R1.23 CC[C@@H](c1cccc(c1)Cl)N TS45063 [1,1,0,0,0,0|0,1,0]=3 473 B11R1.23 CNC(=O)c1cccc(c1)N TS02663 [1,1,0,0,0,0|1,0,1]=4 474 B11R1.23 COC(=O)c1cccc(c1)F TS41351 [1,1,0,0,0,0|1,0,1]=4 475 B11R1.23 Cc1cccc(c1)C(CN)O TS50638 [1,1,0,0,0,0|1,0,0]=3 476 B11R1.23 c1cc(cc(c1)Br)C(CN)O TS28394 [1,1,0,0,0,0|0,1,0]=3 477 B11R1.23 c1cc(cc(c1)Cl)C(=O)CN TS20094 [1,1,0,0,0,0|0,1,1]=4 478 B11R1.23 c1cc(cc(c1)Cl)C(CBr)O TS25796 [1,1,0,0,0,0|1,1,0]=4 479 B11R1.23 c1cc(cc(c1)Cl)C(CCl)O TS51228 [1,1,0,0,0,0|1,1,0]=4 480 B11R1.23 c1cc(cc(c1)Cl)C(CN)O TS43396 [1,1,0,0,0,0|0,1,0]=3 481 B11R1.23 c1cc(cc(c1)Cl)C(CO)Cl TS17228 [1,1,0,0,0,0|1,1,0]=4 482 B11R1.23 c1cc(cc(c1)Cl)[C@@H](CO)N TS93997 [1,1,0,0,0,0|1,1,0]=4 483 B11R1.23 c1cc(cc(c1)Cl)[C@H](CCl)O TS51236 [1,1,0,0,0,0|1,1,0]=4 484 B11R1.23 c1cc(cc(c1)Cl)[C@H](CN)O TS43393 [1,1,0,0,0,0|0,1,0]=3 485 B11R1.23 c1cc(cc(c1)Cl)[C@H](CO)N TS45378 [1,1,0,0,0,0|1,1,0]=4 486 B11R1.23 c1cc(cc(c1)Cl)[C@H](CO)O TS45562 [1,1,0,0,0,0|1,1,0]=4 487 B11R1.23 c1cc(cc(c1)F)C(=O)CBr TS70599 [1,1,0,0,0,0|1,0,1]=4 488 B11R1.23 c1cc(cc(c1)F)C(=O)CCl TS09259 [1,1,0,0,0,0|1,0,1]=4 489 B11R1.23 c1cc(cc(c1)F)C(=O)NN TS10394 [1,1,0,0,0,0|1,0,1]=4 490 B11R1.23 c1cc(cc(c1)F)C(CN)O TS51365 [1,1,0,0,0,0|0,0,0]=2 491 B11R1.23 c1cc(cc(c1)O)C(CN)O TS16253 [1,1,0,0,0,0|1,0,0]=3 492 B11R1.23 c1cc(cc(c1)O)C(CN)O TS41280 [1,1,0,0,0,0|1,0,0]=3 493 B11R1.34 C=CCc1cc(cc(c1)Cl)F TS45246 [1,1,0,0,0,0|0,0,2]=4 494 B11R1.34 C=CCc1cc(cc(c1)F)F TS10401 [1,1,0,0,0,0|0,0,2]=4 495 B11R1.34 CCCc1cc(cc(=O)o1)O TS10418 [1,1,0,0,0,0|2,0,0]=4 496 B11R1.34 CCNc1cc(cc(c1)Cl)Cl TS16293 [1,1,0,0,0,0|1,1,0]=4 497 B11R1.34 CCOc1cc(cc(c1)Cl)F TS13592 [1,1,0,0,0,0|1,0,0]=3 498 B11R1.34 c1c(cc(cc1F)Cl)CC#N TS09357 [1,1,0,0,0,0|0,0,2]=4 499 B11R1.34 c1c(cc(cc1F)F)CC#N TS02585 [1,1,0,0,0,0|0,0,2]=4 500 B11R1.157 C=C(Cc1cccc(c1)F)Br TS21819 [1,1,0,0,0,0|0,0,2]=4 501 B11R1.157 CC(=O)Cc1cccc(c1)Br TS21446 [1,1,0,0,0,0|0,1,1]=4 502 B11R1.157 CC(=O)Cc1cccc(c1)Cl TS12621 [1,1,0,0,0,0|0,1,1]=4 503 B11R1.157 CC(=O)Cc1cccc(c1)F TS10165 [1,1,0,0,0,0|0,0,1]=3 504 B11R1.157 CC(=O)Cc1cccc(c1)O TS40855 [1,1,0,0,0,0|1,0,1]=4 505 B11R1.157 CC(=O)Nc1cccc(c1)F TS10311 [1,1,0,0,0,0|1,0,1]=4 506 B11R1.157 CC(=O)Oc1cccc(c1)F TS41348 [1,1,0,0,0,0|1,0,1]=4 507 B11R1.157 CC(C)Nc1cccc(c1)F TS10329 [1,1,0,0,0,0|1,0,0]=3 508 B11R1.157 CC(C)Oc1cccc(c1)Br TS46927 [1,1,0,0,0,0|1,1,0]=4 509 B11R1.157 CC(C)Oc1cccc(c1)F TS41381 [1,1,0,0,0,0|1,0,0]=3 510 B11R1.157 CC(C)Oc1cccc(c1)N TS10079 [1,1,0,0,0,0|2,0,0]=4 511 B11R1.157 CN(C)Cc1cccc(c1)Br TS21619 [1,1,0,0,0,0|0,1,0]=3 512 B11R1.157 CN(C)Cc1cccc(c1)N TS09938 [1,1,0,0,0,0|1,0,0]=3 513 B11R1.157 Cc1cccc(c1)CC(=O)C TS40649 [1,1,0,0,0,0|1,0,1]=4 514 B11R1.157 Cc1cccc(c1)NC(C)C TS40773 [1,1,0,0,0,0|2,0,0]=4 515 B11R1.157 c1cc(cc(c1)F)CC(=O)Cl TS13264 [1,1,0,0,0,0|1,0,1]=4 516 B11R1.157 c1cc(cc(c1)F)CC(=O)O TS01567 [1,1,0,0,0,0|1,0,1]=4 517 B11R1.157 c1cc(cc(c1)F)NC(=S)N TS12813 [1,1,0,0,0,0|1,0,1]=4 518 B11R1.182 CCNc1cc(ccc1C)O TS41041 [1,1,0,0,0,0|2,0,0]=4 519 B11R1.182 CCNc1cc(ccc1Cl)Cl TS51022 [1,1,0,0,0,0|1,1,0]=4 520 B11R1.182 CCOc1cc(ccc1Br)N TS28395 [1,1,0,0,0,0|2,0,0]=4 521 B11R1.182 CCOc1cc(ccc1Cl)F TS13585 [1,1,0,0,0,0|1,0,0]=3 522 B11R1.182 CCOc1cc(ccc1F)Cl TS13597 [1,1,0,0,0,0|1,1,0]=4 523 B11R1.182 CCOc1cc(ccc1N)F TS51362 [1,1,0,0,0,0|1,0,0]=3 524 B11R1.182 CCOc1cc(ccc1O)C TS10189 [1,1,0,0,0,0|2,0,0]=4 525 B11R1.182 CNCc1cc(ccc1Cl)Cl TS33078 [1,1,0,0,0,0|0,1,0]=3 526 B11R1.182 COCc1cc(ccc1Br)F TS22533 [1,1,0,0,0,0|1,0,0]=3 527 B11R1.182 COCc1cc(ccc1F)Br TS22532 [1,1,0,0,0,0|1,1,0]=4 528 B11R1.182 Cc1ccc(c(c1)CCN)C TS07614 [1,1,0,0,0,0|1,0,0]=3 529 B11R1.182 Cc1ccc(c(c1)CCO)C TS40917 [1,1,0,0,0,0|2,0,0]=4 530 B11R1.182 Cc1ccc(c(c1)CSC)O TS12580 [1,1,0,0,0,0|2,0,0]=4 531 B11R1.182 Cc1ccc(cc1CC#N)F TS40737 [1,1,0,0,0,0|0,0,2]=4 532 B11R1.182 c1cc(c(cc1Cl)CCN)Cl TS51018 [1,1,0,0,0,0|0,1,0]=3 533 B11R1.182 c1cc(c(cc1Cl)CCO)Cl TS51229 [1,1,0,0,0,0|1,1,0]=4 534 B11R1.182 c1cc(c(cc1F)CC#N)Br TS21597 [1,1,0,0,0,0|0,0,2]=4 535 B11R1.182 c1cc(c(cc1F)CC#N)Cl TS09286 [1,1,0,0,0,0|0,0,2]=4 536 B11R1.182 c1cc(c(cc1F)CC#N)F TS41234 [1,1,0,0,0,0|0,0,2]=4 537 B11R1.182 c1cc(c(cc1N)CCO)N TS28052 [1,1,0,0,0,0|2,0,0]=4 538 B11R1.189 CCCc1cccc(c1)NN TS15741 [1,1,0,0,0,0|1,0,0]=3 539 B11R1.189 CCOc1cccc(c1)C=O TS09862 [1,1,0,0,0,0|2,0,0]=4 540 B11R1.189 CCOc1cccc(c1)CO TS41134 [1,1,0,0,0,0|2,0,0]=4 541 B11R1.189 CCSc1cccc(c1)CN TS43261 [1,1,0,0,0,0|2,0,0]=4 542 B11R1.189 CNCc1cccc(c1)C#N TS40441 [1,1,0,0,0,0|1,0,0]=3 543 B11R1.189 CNCc1cccc(c1)OC TS41039 [1,1,0,0,0,0|1,0,0]=3 544 B11R1.189 COc1cccc(c1)CCN TS02822 [1,1,0,0,0,0|1,0,0]=3 545 B11R1.189 COc1cccc(c1)CCO TS41136 [1,1,0,0,0,0|2,0,0]=4 546 B11R1.189 COc1cccc(c1)CNN TS88044 [1,1,0,0,0,0|2,0,0]=4 547 B11R1.189 c1cc(cc(c1)CO)CCN TS41046 [1,1,0,0,0,0|1,0,0]=3 548 B11R1.192 C=CCc1ccc(c(c1)F)Cl TS45247 [1,1,0,0,0,0|0,0,2]=4 549 B11R1.192 C=CCc1ccc(c(c1)F)F TS10400 [1,1,0,0,0,0|0,0,2]=4 550 B11R1.192 CCNc1ccc(c(c1)Cl)Cl TS51008 [1,1,0,0,0,0|1,1,0]=4 551 B11R1.192 CCOc1ccc(c(c1)Cl)F TS13603 [1,1,0,0,0,0|1,1,0]=4 552 B11R1.192 CCOc1ccc(c(c1)F)Cl TS13591 [1,1,0,0,0,0|1,0,0]=3 553 B11R1.192 CCOc1ccc(c(c1)F)F TS10941 [1,1,0,0,0,0|1,0,0]=3 554 B11R1.192 CCOc1ccc(c(c1)F)N TS51367 [1,1,0,0,0,0|1,0,0]=3 555 B11R1.192 Cc1cc(ccc1F)CCO TS41380 [1,1,0,0,0,0|2,0,0]=4 556 B11R1.192 Cc1ccc(cc1C)CCN TS65765 [1,1,0,0,0,0|1,0,0]=3 557 B11R1.192 Cc1ccc(cc1F)CC#N TS02759 [1,1,0,0,0,0|0,0,2]=4 558 B11R1.192 Cc1ccc(cc1F)CC=C TS40885 [1,1,0,0,0,0|0,0,2]=4 559 B11R1.192 Cc1ccc(cc1F)CCO TS41379 [1,1,0,0,0,0|1,0,0]=3 560 B11R1.192 c1cc(c(cc1CC#N)F)Cl TS07781 [1,1,0,0,0,0|0,0,2]=4 561 B11R1.192 c1cc(c(cc1CC#N)F)F TS41239 [1,1,0,0,0,0|0,0,2]=4 562 B11R1.192 c1cc(c(cc1CCN)Cl)Cl TS51014 [1,1,0,0,0,0|0,1,0]=3 563 B11R1.192 c1cc(c(cc1CCN)Cl)Cl TS77162 [1,1,0,0,0,0|0,1,0]=3 564 B11R1.192 c1cc(c(cc1CCN)O)O TS16255 [1,1,0,0,0,0|1,0,0]=3 565 B11R1.192 c1cc(c(cc1CCN)O)O TS19647 [1,1,0,0,0,0|1,0,0]=3 566 B11R1.192 c1cc(c(cc1CCN)O)O TS25493 [1,1,0,0,0,0|1,0,0]=3 567 B11R1.192 c1cc(c(cc1CCO)Cl)Cl TS51235 [1,1,0,0,0,0|1,1,0]=4 568 B11R1.192 c1cc(c(cc1CCO)Cl)F TS13598 [1,1,0,0,0,0|1,1,0]=4 569 B11R1.192 c1cc(c(cc1CCO)F)Cl TS13605 [1,1,0,0,0,0|1,0,0]=3 570 B11R1.192 c1cc(c(cc1CCO)F)F TS10938 [1,1,0,0,0,0|1,0,0]=3 571 B11R1.192 c1cc(c(cc1CCO)O)O TS02550 [1,1,0,0,0,0|2,0,0]=4 572 B11R1.1 C=CCCc1ccc(cc1)F TS40882 [1,1,0,0,0,0|1,0,1]=4 573 B11R1.1 CCCC[n+]1ccc(cc1)C TS15546 [1,1,0,0,0,0|2,0,0]=4 574 B11R1.1 CCCC[n+]1ccc(cc1)C TS24834 [1,1,0,0,0,0|2,0,0]=4 575 B11R1.1 CCCCc1ccc(cc1)Br TS21461 [1,1,0,0,0,0|1,0,0]=3 576 B11R1.1 CCCCc1ccc(cc1)C TS07510 [1,1,0,0,0,0|1,0,0]=3 577 B11R1.1 CCCCc1ccc(cc1)I TS29429 [1,1,0,0,0,0|1,0,0]=3 578 B11R1.1 CCCCc1ccc(cc1)N TS07605 [1,1,0,0,0,0|1,0,0]=3 579 B11R1.1 CCCCc1ccc(cc1)O TS40895 [1,1,0,0,0,0|1,0,0]=3 580 B11R1.1 CCCCc1ccc(cc1)S TS43140 [1,1,0,0,0,0|1,0,0]=3 581 B11R1.1 CCCCc1ccc(nc1)C TS40771 [1,1,0,0,0,0|2,0,0]=4 582 B11R1.1 CCCOc1ccc(cc1)Br TS00031 [1,1,0,0,0,0|2,0,0]=4 583 B11R1.1 CCCOc1ccc(cc1)N TS10071 [1,1,0,0,0,0|2,0,0]=4 584 B11R1.1 CCCOc1ccc(cc1)O TS71268 [1,1,0,0,0,0|2,0,0]=4 585 B11R1.1 CCNCc1ccc(cc1)Br TS21620 [1,1,0,0,0,0|2,0,0]=4 586 B11R1.1 CCNCc1ccc(cc1)Cl TS45056 [1,1,0,0,0,0|2,0,0]=4 587 B11R1.1 CCNCc1ccc(cc1)F TS10337 [1,1,0,0,0,0|2,0,0]=4 588 B11R1.1 CNCCc1ccc(cc1)Cl TS45060 [1,1,0,0,0,0|0,0,0]=2 589 B11R1.1 CNCCc1ccc(cc1)F TS10330 [1,1,0,0,0,0|0,0,0]=2 590 B11R1.1 CNCCc1ccc(cc1)N TS09940 [1,1,0,0,0,0|0,0,0]=2 591 B11R1.1 CNCCc1ccc(cc1)O TS94477 [1,1,0,0,0,0|0,0,0]=2 592 B11R1.1 COCCc1ccc(cc1)O TS10182 [1,1,0,0,0,0|1,0,0]=3 593 B11R1.1 Cc1ccc(cc1)CCC=C TS07263 [1,1,0,0,0,0|1,0,1]=4 594 B11R1.1 Cc1ccc(cc1)CCC=O TS40656 [1,1,0,0,0,0|2,0,0]=4 595 B11R1.1 Cc1ccc(cc1)CCCO TS09928 [1,1,0,0,0,0|2,0,0]=4 596 B11R1.1 Cc1ccc(cc1)CCNC TS39895 [1,1,0,0,0,0|0,0,0]=2 597 B11R1.1 [C-]#[N+]CCc1ccc(cc1)Br TS20838 [1,1,0,0,0,0|0,0,2]=4 598 B11R1.1 [C-]#[N+]CCc1ccc(cc1)F TS40736 [1,1,0,0,0,0|0,0,2]=4 599 B11R1.1 c1cc(ccc1CCC#N)Br TS09420 [1,1,0,0,0,0|2,0,0]=4 600 B11R1.1 c1cc(ccc1CCC#N)O TS65688 [1,1,0,0,0,0|2,0,0]=4 601 B11R1.1 c1cc(ccc1CCC=O)Br TS09421 [1,1,0,0,0,0|2,0,0]=4 602 B11R1.1 c1cc(ccc1CCCCl)Cl TS46929 [1,1,0,0,0,0|2,0,0]=4 603 B11R1.1 c1cc(ccc1CCCN)O TS10075 [1,1,0,0,0,0|2,0,0]=4 604 B11R1.1 c1cc(ccc1CCCO)Br TS08936 [1,1,0,0,0,0|2,0,0]=4 605 B11R1.1 c1cc(ccc1CCCO)Cl TS12935 [1,1,0,0,0,0|2,0,0]=4 606 B11R1.1 c1cc(ccc1CCCO)O TS02185 [1,1,0,0,0,0|2,0,0]=4 607 B11R1.16 C#CCC(c1ccccc1)O TS07216 [1,1,0,0,0,0|1,0,1]=4 608 B11R1.16 C=CCC(c1ccccc1)O TS07476 [1,1,0,0,0,0|1,0,1]=4 609 B11R1.16 CC(CC=O)c1ccccc1 TS40655 [1,1,0,0,0,0|2,0,0]=4 610 B11R1.16 CC(CCO)c1ccccc1 TS40913 [1,1,0,0,0,0|2,0,0]=4 611 B11R1.16 CC(CNC)c1ccccc1 TS15544 [1,1,0,0,0,0|0,0,0]=2 612 B11R1.16 CC=CC(c1ccccc1)O TS07464 [1,1,0,0,0,0|1,0,1]=4 613 B11R1.16 CCCC(=C)c1ccccc1 TS40460 [1,1,0,0,0,0|1,0,1]=4 614 B11R1.16 CCCC(=O)c1ccccc1 TS40658 [1,1,0,0,0,0|1,0,1]=4 615 B11R1.16 CCCC(C)c1ccccc1 TS40687 [1,1,0,0,0,0|1,0,0]=3 616 B11R1.16 CCCC(c1ccccc1)N TS08991 [1,1,0,0,0,0|1,0,0]=3 617 B11R1.16 CCCC(c1ccccc1)O TS40897 [1,1,0,0,0,0|1,0,0]=3 618 B11R1.16 CCC[C@@H](c1ccccc1)N TS07598 [1,1,0,0,0,0|1,0,0]=3 619 B11R1.16 CCC[C@@H](c1ccccc1)O TS40898 [1,1,0,0,0,0|1,0,0]=3 620 B11R1.16 CCC[C@H](c1ccccc1)N TS07603 [1,1,0,0,0,0|1,0,0]=3 621 B11R1.16 CCC[C@H](c1ccccc1)O TS40914 [1,1,0,0,0,0|1,0,0]=3 622 B11R1.16 CNCC(=O)c1ccccc1 TS15529 [1,1,0,0,0,0|0,0,1]=3 623 B11R1.16 CNCC(c1ccccc1)O TS41049 [1,1,0,0,0,0|0,0,0]=2 624 B11R1.16 COCC(=O)c1ccccc1 TS09863 [1,1,0,0,0,0|1,0,1]=4 625 B11R1.16 COC[C@@H](c1ccccc1)N TS41043 [1,1,0,0,0,0|1,0,0]=3 626 B11R1.16 COC[C@H](c1ccccc1)N TS10083 [1,1,0,0,0,0|1,0,0]=3 627 B11R1.16 c1ccc(cc1)C(CC#N)O TS07335 [1,1,0,0,0,0|2,0,0]=4 628 B11R1.16 c1ccc(cc1)C(CCN)O TS41050 [1,1,0,0,0,0|2,0,0]=4 629 B11R1.16 c1ccc(cc1)C(CCN)O TS50639 [1,1,0,0,0,0|2,0,0]=4 630 B11R1.16 c1ccc(cc1)C(CCO)N TS65845 [1,1,0,0,0,0|2,0,0]=4 631 B11R1.16 c1ccc(cc1)[C@@H](CCCl)O TS46584 [1,1,0,0,0,0|2,0,0]=4 632 B11R1.16 c1ccc(cc1)[C@@H](CCN)O TS10084 [1,1,0,0,0,0|2,0,0]=4 633 B11R1.16 c1ccc(cc1)[C@@H](CCO)N TS15881 [1,1,0,0,0,0|2,0,0]=4 634 B11R1.16 c1ccc(cc1)[C@@H](CCO)N TS46603 [1,1,0,0,0,0|2,0,0]=4 635 B11R1.16 c1ccc(cc1)[C@@H](CCO)O TS10187 [1,1,0,0,0,0|2,0,0]=4 636 B11R1.16 c1ccc(cc1)[C@H](CCCl)O TS46624 [1,1,0,0,0,0|2,0,0]=4 637 B11R1.16 c1ccc(cc1)[C@H](CCN)O TS10069 [1,1,0,0,0,0|2,0,0]=4 638 B11R1.16 c1ccc(cc1)[C@H](CCO)N TS46656 [1,1,0,0,0,0|2,0,0]=4 639 B11R1.16 c1ccc(cc1)[C@H](CCO)O TS41135 [1,1,0,0,0,0|2,0,0]=4 640 B11R1.17 C=CCCc1ccccc1Br TS43954 [1,1,0,0,0,0|1,0,1]=4 641 B11R1.17 CCCCc1ccccc1N TS07609 [1,1,0,0,0,0|1,0,0]=3 642 B11R1.17 CNCCc1ccccc1F TS10332 [1,1,0,0,0,0|0,0,0]=2 643 B11R1.17 [C-]#[N+]CCc1ccccc1F TS07565 [1,1,0,0,0,0|0,0,2]=4 644 B11R1.17 c1ccc(c(c1)CCC#N)Cl TS12105 [1,1,0,0,0,0|2,0,0]=4 645 B11R1.17 c1ccc(c(c1)CCCN)N TS09947 [1,1,0,0,0,0|2,0,0]=4 646 B11R1.17 c1ccc(c(c1)CCCN)O TS10076 [1,1,0,0,0,0|2,0,0]=4 647 B11R1.17 c1ccc(c(c1)CCCO)Br TS21829 [1,1,0,0,0,0|2,0,0]=4 648 B11R1.28 C#CCCCc1ccccc1 TS07011 [1,1,0,0,0,0|1,0,1]=4 649 B11R1.28 C#CCOCc1ccccc1 TS07224 [1,1,0,0,0,0|1,0,1]=4 650 B11R1.28 C=CCOCc1ccccc1 TS07459 [1,1,0,0,0,0|1,0,1]=4 651 B11R1.28 CC=CCCc1ccncc1 TS07375 [1,1,0,0,0,0|2,0,0]=4 652 B11R1.28 CCCC#Cc1ccccc1 TS07004 [1,1,0,0,0,0|1,0,1]=4 653 B11R1.28 CCCC=Cc1ccccc1 TS07261 [1,1,0,0,0,0|1,0,1]=4 654 B11R1.28 CCCCCc1ccccc1 TS07508 [1,1,0,0,0,0|1,0,0]=3 655 B11R1.28 CCCCCc1ccccn1 TS07608 [1,1,0,0,0,0|2,0,0]=4 656 B11R1.28 CCCCNc1ccccc1 TS07616 [1,1,0,0,0,0|1,0,0]=3 657 B11R1.28 CCCCOc1ccccc1 TS40903 [1,1,0,0,0,0|1,0,0]=3 658 B11R1.28 CCCCOc1ccccn1 TS41040 [1,1,0,0,0,0|2,0,0]=4 659 B11R1.28 CCCNCc1ccccc1 TS40768 [1,1,0,0,0,0|1,0,0]=3 660 B11R1.28 CCOCCc1ccccn1 TS41030 [1,1,0,0,0,0|2,0,0]=4 661 B11R1.28 CNCCCc1ccccc1 TS07594 [1,1,0,0,0,0|0,0,0]=2 662 B11R1.28 CNCCOc1ccccc1 TS50641 [1,1,0,0,0,0|0,0,0]=2 663 B11R1.28 [C-]#[N+]CCCc1ccccc1 TS07119 [1,1,0,0,0,0|0,0,2]=4 664 B11R1.28 c1ccc(cc1)CCCCBr TS08029 [1,1,0,0,0,0|1,0,0]=3 665 B11R1.28 c1ccc(cc1)CCCCN TS40769 [1,1,0,0,0,0|1,0,0]=3 666 B11R1.28 c1ccc(cc1)CCCCO TS09769 [1,1,0,0,0,0|1,0,0]=3 667 B11R1.28 c1ccc(cc1)CCN=C=O TS07337 [1,1,0,0,0,0|0,0,2]=4 668 B11R1.28 c1ccc(cc1)CCN=C=S TS11737 [1,1,0,0,0,0|0,0,2]=4 669 B11R1.28 c1ccc(cc1)CCOC=O TS40845 [1,1,0,0,0,0|1,0,1]=4 670 B11R1.28 c1ccc(cc1)CNCCCl TS38930 [1,1,0,0,0,0|2,0,0]=4 671 B11R1.28 c1ccc(cc1)CNCCN TS09934 [1,1,0,0,0,0|2,0,0]=4 672 B11R1.28 c1ccc(cc1)COCC=O TS40846 [1,1,0,0,0,0|2,0,0]=4 673 B11R1.28 c1ccc(cc1)COCCBr TS01375 [1,1,0,0,0,0|2,0,0]=4 674 B11R1.28 c1ccc(cc1)COCCCl TS45252 [1,1,0,0,0,0|2,0,0]=4 675 B11R1.28 c1ccc(cc1)COCCN TS50637 [1,1,0,0,0,0|2,0,0]=4 676 B11R1.28 c1ccc(cc1)COCCO TS59944 [1,1,0,0,0,0|2,0,0]=4 677 B11R1.28 c1ccc(cc1)COCON TS41272 [1,1,0,0,0,0|2,0,0]=4 678 B11R1.28 c1ccc(cc1)CSCCCl TS15745 [1,1,0,0,0,0|2,0,0]=4 679 B11R1.28 c1ccc(cc1)CSCCN TS19660 [1,1,0,0,0,0|2,0,0]=4 680 B11R1.28 c1ccc(cc1)CSCCO TS44906 [1,1,0,0,0,0|2,0,0]=4 681 B11R1.28 c1ccc(cc1)NCCC#N TS40450 [1,1,0,0,0,0|2,0,0]=4 682 B11R1.28 c1ccc(cc1)NCCCN TS09931 [1,1,0,0,0,0|2,0,0]=4 683 B11R1.28 c1ccc(cc1)OCCC#N TS40518 [1,1,0,0,0,0|2,0,0]=4 684 B11R1.28 c1ccc(cc1)OCCCBr TS21836 [1,1,0,0,0,0|2,0,0]=4 685 B11R1.28 c1ccc(cc1)OCCCO TS41131 [1,1,0,0,0,0|2,0,0]=4 686 B11R1.28 c1ccc(cc1)OCCO[NH3+] TS16257 [1,1,0,0,0,0|2,0,0]=4 687 B11R1.28 c1ccc(cc1)SCCCCl TS15746 [1,1,0,0,0,0|2,0,0]=4 688 B11R1.28 c1ccc(cc1)SCCCN TS19659 [1,1,0,0,0,0|2,0,0]=4 689 B11R1.28 c1cnccc1CCCCCl TS38931 [1,1,0,0,0,0|2,0,0]=4 690 B11R1.40 CC(Cc1ccccc1)C=O TS07461 [1,1,0,0,0,0|2,0,0]=4 691 B11R1.40 CC(Cc1ccccc1)NC TS07600 [1,1,0,0,0,0|0,0,0]=2 692 B11R1.40 CCC(=O)Cc1ccccc1 TS07483 [1,1,0,0,0,0|1,0,1]=4 693 B11R1.40 CCC(C)Cc1ccccc1 TS40686 [1,1,0,0,0,0|1,0,0]=3 694 B11R1.40 CCC(Cc1ccccc1)O TS00513 [1,1,0,0,0,0|1,0,0]=3 695 B11R1.40 CNC(=O)Nc1ccccc1 TS09898 [1,1,0,0,0,0|1,0,1]=4 696 B11R1.40 CNC(=S)Nc1ccccc1 TS12286 [1,1,0,0,0,0|1,0,1]=4 697 B11R1.40 COC(=O)Cc1ccccc1 TS00242 [1,1,0,0,0,0|1,0,1]=4 698 B11R1.40 C[C@@H](Cc1ccccc1)NC TS40789 [1,1,0,0,0,0|0,0,0]=2 699 B11R1.40 C[C@H](Cc1ccccc1)NC TS40784 [1,1,0,0,0,0|0,0,0]=2 700 B11R1.40 c1ccc(cc1)CC(=O)NN TS09901 [1,1,0,0,0,0|1,0,1]=4 701 B11R1.40 c1ccc(cc1)CC(=O)NO TS10040 [1,1,0,0,0,0|1,0,1]=4 702 B11R1.40 c1ccc(cc1)CC(C#N)Cl TS12109 [1,1,0,0,0,0|2,0,0]=4 703 B11R1.40 c1ccc(cc1)C[C@H](CN)N TS09945 [1,1,0,0,0,0|2,0,0]=4 704 B11R1.40 c1ccc(cc1)C[C@H](CO)N TS07919 [1,1,0,0,0,0|2,0,0]=4 705 B11R1.91 B(CCc1ccccc1)(O)O TS01640 [1,1,0,0,0,0|2,0,0]=4 706 B11R1.91 CC(=C)COc1ccccc1 TS07455 [1,1,0,0,0,0|2,0,0]=4 707 B11R1.91 CC(=C)CSc1ccccc1 TS42809 [1,1,0,0,0,0|2,0,0]=4 708 B11R1.91 CC(=C)OCc1ccccc1 TS40657 [1,1,0,0,0,0|2,0,0]=4 709 B11R1.91 CC(=O)CCc1ccccc1 TS40645 [1,1,0,0,0,0|1,0,0]=3 710 B11R1.91 CC(=O)COc1ccccc1 TS40853 [1,1,0,0,0,0|2,0,0]=4 711 B11R1.91 CC(=O)CSc1ccccc1 TS12279 [1,1,0,0,0,0|2,0,0]=4 712 B11R1.91 CC(=O)NCc1ccccc1 TS07571 [1,1,0,0,0,0|2,0,0]=4 713 B11R1.91 CC(=O)OCc1ccccc1 TS09872 [1,1,0,0,0,0|2,0,0]=4 714 B11R1.91 CC(C)CCc1ccccc1 TS40689 [1,1,0,0,0,0|1,0,0]=3 715 B11R1.91 CC(C)NCc1ccccc1 TS33065 [1,1,0,0,0,0|2,0,0]=4 716 B11R1.91 CC(CCc1ccccc1)N TS40782 [1,1,0,0,0,0|1,0,0]=3 717 B11R1.91 CC(CCc1ccccc1)O TS09764 [1,1,0,0,0,0|1,0,0]=3 718 B11R1.91 CC(COc1ccccc1)Cl TS45253 [1,1,0,0,0,0|2,0,0]=4 719 B11R1.91 CC(COc1ccccc1)N TS41032 [1,1,0,0,0,0|2,0,0]=4 720 B11R1.91 CN(C)C=Nc1ccccc1 TS40682 [1,1,0,0,0,0|1,0,1]=4 721 B11R1.91 CN(C)CCc1ccccc1 TS01931 [1,1,0,0,0,0|0,0,0]=2 722 B11R1.91 CN(C)CCc1ccccn1 TS09949 [1,1,0,0,0,0|1,0,0]=3 723 B11R1.91 CN(C)CCc1ccncc1 TS09942 [1,1,0,0,0,0|1,0,0]=3 724 B11R1.91 CN(C)N=Cc1ccccc1 TS40662 [1,1,0,0,0,0|1,0,1]=4 725 B11R1.91 C[C@@H](CCc1ccccc1)N TS40777 [1,1,0,0,0,0|1,0,0]=3 726 B11R1.91 C[C@H](CCc1ccccc1)N TS22961 [1,1,0,0,0,0|1,0,0]=3 727 B11R1.91 C[SiH](C)CCc1ccccc1 TS42818 [1,1,0,0,0,0|1,0,0]=3 728 B11R1.91 c1ccc(cc1)CCC(=O)Cl TS02876 [1,1,0,0,0,0|2,0,0]=4 729 B11R1.91 c1ccc(cc1)CCC(=O)N TS40758 [1,1,0,0,0,0|2,0,0]=4 730 B11R1.91 c1ccc(cc1)CCC(=O)O TS33063 [1,1,0,0,0,0|2,0,0]=4 731 B11R1.91 c1ccc(cc1)CCN(=O)=O TS10013 [1,1,0,0,0,0|1,0,1]=4 732 B13R1.18 CCNCC(c1cccc(c1)O)O TS22296 [0,2,0,0,0,0|1,0,0]=3 733 B13R1.22 C[C@@H]([C@@H](c1cccc(c1)O)O)NC TS22295 [0,2,0,0,0,0|1,0,0]=3 734 B13R1.147 c1cc(cc(c1)F)C(CC(=O)O)N TS48418 [0,2,0,0,0,0|2,0,0]=4 735 B13R1.147 c1cc(cc(c1)F)[C@@H](CC(=O)O)N TS15117 [0,2,0,0,0,0|2,0,0]=4 736 B13R1.147 c1cc(cc(c1)F)[C@H](CC(=O)O)N TS48410 [0,2,0,0,0,0|2,0,0]=4 737 B13R1.466 CNCC(c1ccc(c(c1)O)O)O TS15136 [0,2,0,0,0,0|1,0,0]=3 738 B13R1.466 CNCC(c1ccc(c(c1)O)O)O TS22665 [0,2,0,0,0,0|1,0,0]=3 739 B13R1.466 CNC[C@@H](c1ccc(c(c1)O)O)O TS16812 [0,2,0,0,0,0|1,0,0]=3 740 B13R1.466 CNC[C@@H](c1ccc(c(c1)O)O)O TS33019 [0,2,0,0,0,0|1,0,0]=3 741 B13R1.466 CNC[C@@H](c1ccc(c(c1)O)O)O TS33020 [0,2,0,0,0,0|1,0,0]=3 742 B13R1.16 CCCCOc1cccc(c1F)F TS15590 [0,2,0,0,0,0|1,0,0]=3 743 B13R1.6 Cc1cccc(c1)OCCCCBr TS57824 [0,2,0,0,0,0|2,0,0]=4 744 B13R1.6 c1cc(cc(c1)Cl)OCCCCBr TS68751 [0,2,0,0,0,0|1,1,0]=4 745 B13R1.15 COC(=O)CCc1cccc(c1)O TS14613 [0,2,0,0,0,0|2,0,0]=4 746 B13R1.55 CCCCCc1cc(cc(c1)O)O TS59336 [0,2,0,0,0,0|2,0,0]=4 747 B13R1.149 Cc1cccc(c1)CCC=C(C)C TS13559 [0,2,0,0,0,0|2,0,0]=4 748 B13R1.666 CCCCOc1cccc(c1)C=O TS47551 [0,2,0,0,0,0|2,0,0]=4 749 B13R1.666 COCCOc1cccc(c1)C#N TS14018 [0,2,0,0,0,0|2,0,0]=4 750 B13R1.669 COCCOc1ccc(c(c1)Br)O TS27567 [0,2,0,0,0,0|1,1,0]=4 751 B13R1.148 c1cc(cc(c1)F)CC(C(=O)O)N TS15119 [0,2,0,0,0,0|2,0,0]=4 752 B13R1.148 c1cc(cc(c1)F)C[C@@H](C(=O)O)N TS48415 [0,2,0,0,0,0|2,0,0]=4 753 B13R1.148 c1cc(cc(c1)F)C[C@H](C(=O)O)N TS48409 [0,2,0,0,0,0|2,0,0]=4 754 B13R1.2879 CCC(Cc1ccc(c(c1)O)C)N TS21947 [0,2,0,0,0,0|2,0,0]=4 755 B13R1.2879 COC(=O)Cc1ccc(c(c1)F)F TS48852 [0,2,0,0,0,0|1,0,1]=4 756 B13R1.511 c1cc(c(cc1CCC(=O)O)F)F TS48847 [0,2,0,0,0,0|2,0,0]=4 757 B13R1.577 CCCCc1ccc(c(c1)C)C#N TS13388 [0,2,0,0,0,0|2,0,0]=4 758 B11R2.35 c1cc(cc(c1)Br)C2CC2 TS16329 [1,0,0,1,0,0|0,1,0]=3 759 B11R2.35 c1cc(cc(c1)Cl)[C@H]2CO2 TS41458 [1,0,0,1,0,0|1,1,0]=4 760 B11R2.36 Cc1ccc2c(c1)CCN2 TS55481 [1,0,0,1,0,0|1,0,0]=3 761 B11R2.36 Cc1ccc2c(c1)NCC2 TS36773 [1,0,0,1,0,0|2,0,0]=4 762 B11R2.36 c1c(cnc2c1CCC2)Br TS53949 [1,0,0,1,0,0|1,1,0]=4 763 B11R2.36 c1c(cnc2c1CCC2)N TS05911 [1,0,0,1,0,0|2,0,0]=4 764 B11R2.36 c1c(cnc2c1CCN2)Br TS16970 [1,0,0,1,0,0|1,1,0]=4 765 B11R2.36 c1c(cnc2c1CNC2)Br TS85841 [1,0,0,1,0,0|1,1,0]=4 766 B11R2.36 c1cc(nc2c1CCC2)Cl TS32914 [1,0,0,1,0,0|1,1,0]=4 767 B11R2.36 c1cc(nc2c1CCC2)O TS29456 [1,0,0,1,0,0|2,0,0]=4 768 B11R2.36 c1cc(nc2c1CNC2)Cl TS88619 [1,0,0,1,0,0|1,1,0]=4 769 B11R2.36 c1cc2c(cc1Br)CCN2 TS09804 [1,0,0,1,0,0|0,1,0]=3 770 B11R2.36 c1cc2c(cc1Br)CCO2 TS16969 [1,0,0,1,0,0|1,1,0]=4 771 B11R2.36 c1cc2c(cc1Br)CNC2 TS09806 [1,0,0,1,0,0|0,1,0]=3 772 B11R2.36 c1cc2c(cc1Cl)CCN2 TS41319 [1,0,0,1,0,0|0,1,0]=3 773 B11R2.36 c1cc2c(cc1Cl)NCC2 TS41318 [1,0,0,1,0,0|1,1,0]=4 774 B11R2.36 c1cc2c(cc1Cl)NCC2 TS55565 [1,0,0,1,0,0|1,1,0]=4 775 B11R2.36 c1cc2c(cc1F)C=CC2 TS05891 [1,0,0,1,0,0|0,0,2]=4 776 B11R2.36 c1cc2c(cc1F)CCN2 TS06181 [1,0,0,1,0,0|0,0,0]=2 777 B11R2.36 c1cc2c(cc1F)CNC2 TS39775 [1,0,0,1,0,0|0,0,0]=2 778 B11R2.36 c1cc2c(cc1F)NCC2 TS06182 [1,0,0,1,0,0|1,0,0]=3 779 B11R2.36 c1cc2c(cc1F)cn[nH]2 TS03297 [1,0,0,1,0,0|1,0,1]=4 780 B11R2.36 c1cc2c(cc1F)nc[nH]2 TS36976 [1,0,0,1,0,0|1,0,1]=4 781 B11R2.36 c1cc2c(cc1F)nn[nH]2 TS60434 [1,0,0,1,0,0|2,0,0]=4 782 B11R2.36 c1cc2c(cc1I)CCO2 TS62237 [1,0,0,1,0,0|1,1,0]=4 783 B11R2.36 c1cc2c(cc1N)CCC2 TS36771 [1,0,0,1,0,0|1,0,0]=3 784 B11R2.36 c1cc2c(cc1N)CCO2 TS85408 [1,0,0,1,0,0|2,0,0]=4 785 B11R2.36 c1cc2c(cc1N)NCC2 TS20316 [1,0,0,1,0,0|2,0,0]=4 786 B11R2.36 c1cc2c(cc1O)CCC2 TS36851 [1,0,0,1,0,0|1,0,0]=3 787 B11R2.36 c1cc2c(cc1O)CCO2 TS36986 [1,0,0,1,0,0|2,0,0]=4 788 B11R2.36 c1cc2c(cc[nH]2)cc1F TS03319 [1,0,0,1,0,0|0,0,2]=4 789 B11R2.106 Cc1cccc2c1NCC2 TS39800 [1,0,0,1,0,0|1,0,0]=3 790 B11R2.106 c1c2c(c(cn1)Br)NCC2 TS87581 [1,0,0,1,0,0|1,1,0]=4 791 B11R2.106 c1cc(c2c(c1)NCC2)N TS05908 [1,0,0,1,0,0|2,0,0]=4 792 B11R2.106 c1cc(c2c(c1)OCC2)N TS07697 [1,0,0,1,0,0|2,0,0]=4 793 B11R2.106 c1cc2c(c(c1)Br)CCC2 TS89098 [1,0,0,1,0,0|0,1,0]=3 794 B11R2.106 c1cc2c(c(c1)Br)CCN2 TS53950 [1,0,0,1,0,0|1,1,0]=4 795 B11R2.106 c1cc2c(c(c1)Br)CNC2 TS53948 [1,0,0,1,0,0|0,1,0]=3 796 B11R2.106 c1cc2c(c(c1)Br)CNC2 TS56566 [1,0,0,1,0,0|0,1,0]=3 797 B11R2.106 c1cc2c(c(c1)Cl)CCN2 TS09013 [1,0,0,1,0,0|1,1,0]=4 798 B11R2.106 c1cc2c(c(c1)Cl)CCO2 TS10531 [1,0,0,1,0,0|1,1,0]=4 799 B11R2.106 c1cc2c(c(c1)Cl)CNC2 TS51016 [1,0,0,1,0,0|0,1,0]=3 800 B11R2.106 c1cc2c(c(c1)F)CNC2 TS45698 [1,0,0,1,0,0|0,0,0]=2 801 B11R2.106 c1cc2c(c(c1)I)CCN2 TS62109 [1,0,0,1,0,0|1,1,0]=4 802 B11R2.106 c1cc2c(c(c1)N)CCC2 TS36770 [1,0,0,1,0,0|1,0,0]=3 803 B11R2.106 c1cc2c(c(c1)N)NCC2 TS20315 [1,0,0,1,0,0|1,0,0]=3 804 B11R2.106 c1cc2cc[nH]c2c(c1)F TS16518 [1,0,0,1,0,0|0,0,2]=4 805 B11R2.106 c1cc2cn[nH]c2c(c1)F TS16514 [1,0,0,1,0,0|1,0,1]=4 806 B11R2.1 CC1CNc2c1cccc2 TS05845 [1,0,0,1,0,0|2,0,0]=4 807 B11R2.1 CN1CCc2c1cccc2 TS36778 [1,0,0,1,0,0|0,0,0]=2 808 B11R2.1 Cn1c2ccccc2cn1 TS36679 [1,0,0,1,0,0|1,0,1]=4 809 B11R2.1 Cn1c2ccccc2nn1 TS01810 [1,0,0,1,0,0|2,0,0]=4 810 B11R2.1 Cn1ccc2c1cccc2 TS00492 [1,0,0,1,0,0|0,0,2]=4 811 B11R2.1 Cn1cnc2c1cccc2 TS36688 [1,0,0,1,0,0|1,0,1]=4 812 B11R2.1 c1ccc2c(c1)CCC2=O TS46969 [1,0,0,1,0,0|2,0,0]=4 813 B11R2.1 c1ccc2c(c1)CCC2Cl TS41220 [1,0,0,1,0,0|2,0,0]=4 814 B11R2.1 c1ccc2c(c1)CCC2N TS05846 [1,0,0,1,0,0|2,0,0]=4 815 B11R2.1 c1ccc2c(c1)CCC2N TS45061 [1,0,0,1,0,0|2,0,0]=4 816 B11R2.1 c1ccc2c(c1)CCC2O TS36840 [1,0,0,1,0,0|2,0,0]=4 817 B11R2.1 c1ccc2c(c1)CC[C@@H]2N TS36779 [1,0,0,1,0,0|2,0,0]=4 818 B11R2.1 c1ccc2c(c1)CC[C@@H]2O TS36843 [1,0,0,1,0,0|2,0,0]=4 819 B11R2.1 c1ccc2c(c1)CC[C@H]2N TS01966 [1,0,0,1,0,0|2,0,0]=4 820 B11R2.1 c1ccc2c(c1)CC[C@H]2N TS08065 [1,0,0,1,0,0|2,0,0]=4 821 B11R2.1 c1ccc2c(c1)CC[C@H]2O TS36850 [1,0,0,1,0,0|2,0,0]=4 822 B11R2.4 CC1CC1c2ccccc2 TS36705 [1,0,0,1,0,0|1,0,0]=3 823 B11R2.4 C[C@@H]1[C@H](O1)c2ccccc2 TS05905 [1,0,0,1,0,0|2,0,0]=4 824 B11R2.4 C[C@H]1[C@@H](O1)c2ccccc2 TS36853 [1,0,0,1,0,0|2,0,0]=4 825 B11R2.4 c1ccc(cc1)C2CC2N TS45058 [1,0,0,1,0,0|2,0,0]=4 826 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2N TS12741 [1,0,0,1,0,0|2,0,0]=4 827 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2N TS66575 [1,0,0,1,0,0|2,0,0]=4 828 B11R2.20 c1c2c(ncn1)CCNC2 TS86287 [1,0,0,1,0,0|2,0,0]=4 829 B11R2.20 c1c2c(ncn1)CNCC2 TS91830 [1,0,0,1,0,0|2,0,0]=4 830 B11R2.20 c1cc2c(nc1)CCCC2 TS71334 [1,0,0,1,0,0|2,0,0]=4 831 B11R2.20 c1cc2c(nc1)CCNC2 TS16957 [1,0,0,1,0,0|1,0,0]=3 832 B11R2.20 c1cc2c(nc1)CCNC2 TS94341 [1,0,0,1,0,0|1,0,0]=3 833 B11R2.20 c1cc2c(nc1)CNCC2 TS02254 [1,0,0,1,0,0|1,0,0]=3 834 B11R2.20 c1cc2c(nc1)CNCC2 TS86659 [1,0,0,1,0,0|1,0,0]=3 835 B11R2.20 c1ccc2c(c1)CC=CC2 TS16693 [1,0,0,1,0,0|1,0,1]=4 836 B11R2.20 c1ccc2c(c1)CCC=C2 TS36512 [1,0,0,1,0,0|1,0,1]=4 837 B11R2.20 c1ccc2c(c1)CCCC2 TS36696 [1,0,0,1,0,0|1,0,0]=3 838 B11R2.20 c1ccc2c(c1)CCCC2 TS73725 [1,0,0,1,0,0|1,0,0]=3 839 B11R2.20 c1ccc2c(c1)CCCN2 TS00337 [1,0,0,1,0,0|2,0,0]=4 840 B11R2.20 c1ccc2c(c1)CCN=C2 TS02548 [1,0,0,1,0,0|0,0,2]=4 841 B11R2.20 c1ccc2c(c1)CCOC2 TS01923 [1,0,0,1,0,0|1,0,0]=3 842 B11R2.20 c1ccc2c(c1)CNCO2 TS36914 [1,0,0,1,0,0|1,0,0]=3 843 B11R2.20 c1cncc2c1CCCC2 TS16964 [1,0,0,1,0,0|2,0,0]=4 844 B11R2.20 c1cncc2c1CCNC2 TS05913 [1,0,0,1,0,0|1,0,0]=3 845 B11R2.238 c1ccc(cc1)CC2CC2 TS36695 [1,0,0,1,0,0|1,0,0]=3 846 B11R2.238 c1ccc(cc1)CC2CN2 TS36772 [1,0,0,1,0,0|0,0,0]=2 847 B11R2.238 c1ccc(cc1)C[C@@H]2CN2 TS36776 [1,0,0,1,0,0|0,0,0]=2 848 B11R2.238 c1ccc(cc1)C[C@H]2CN2 TS36774 [1,0,0,1,0,0|0,0,0]=2 849 B11R2.238 c1ccc(cc1)SC2CC2 TS55842 [1,0,0,1,0,0|2,0,0]=4 850 B11R2.239 c1ccc(cc1)C2CCN2 TS36775 [1,0,0,1,0,0|2,0,0]=4 851 B11R2.988 c1ccc2c(c1)CC2CO TS36669 [1,0,0,1,0,0|2,0,0]=4 852 B13R2.13 Cc1cccc(c1)C2CCCN2 TS47057 [0,1,0,1,0,0|2,0,0]=4 853 B13R2.13 c1cc(cc(c1)Br)C2CCCN2 TS47052 [0,1,0,1,0,0|1,1,0]=4 854 B13R2.13 c1cc(cc(c1)Br)C2CCNC2 TS24123 [0,1,0,1,0,0|0,1,0]=3 855 B13R2.13 c1cc(cc(c1)Br)N2CCCC2 TS24127 [0,1,0,1,0,0|1,1,0]=4 856 B13R2.13 c1cc(cc(c1)Cl)C2CCCN2 TS65674 [0,1,0,1,0,0|1,1,0]=4 857 B13R2.13 c1cc(cc(c1)Cl)C2CCNC2 TS14857 [0,1,0,1,0,0|0,1,0]=3 858 B13R2.13 c1cc(cc(c1)F)C2CCCN2 TS47054 [0,1,0,1,0,0|1,0,0]=3 859 B13R2.13 c1cc(cc(c1)F)C2CCNC2 TS12047 [0,1,0,1,0,0|0,0,0]=2 860 B13R2.13 c1cc(cc(c1)N2CCCC2)N TS70711 [0,1,0,1,0,0|2,0,0]=4 861 B13R2.151 c1cc(cc(c1)Br)C2CC(=O)C2 TS23953 [0,1,0,1,0,0|1,1,0]=4 862 B13R2.162 CC1CCc2cccc(c2N1)O TS18915 [0,1,0,1,0,0|2,0,0]=4 863 B13R2.162 c1cc2c(c(c1)Br)CC(=O)CC2 TS23950 [0,1,0,1,0,0|1,1,0]=4 864 B13R2.162 c1cc2c(c(c1)Br)C[C@@H](CC2)N TS08919 [0,1,0,1,0,0|1,1,0]=4 865 B13R2.162 c1cc2c(c(c1)Cl)CC(=O)CC2 TS48000 [0,1,0,1,0,0|1,1,0]=4 866 B13R2.162 c1cc2c(c(c1)Cl)CC(CC2)N TS22340 [0,1,0,1,0,0|1,1,0]=4 867 B13R2.162 c1cc2c(c(c1)F)CC(=O)CC2 TS42717 [0,1,0,1,0,0|1,0,0]=3 868 B13R2.162 c1cc2c(c(c1)O)CC(=O)CC2 TS42449 [0,1,0,1,0,0|2,0,0]=4 869 B13R2.162 c1cc2c(cc1Br)C(COC2)N TS24463 [0,1,0,1,0,0|1,1,0]=4 870 B13R2.162 c1cc2c(cc1F)C(=O)CCC2 TS16515 [0,1,0,1,0,0|1,0,1]=4 871 B13R2.162 c1cc2c(cc1F)C(CCO2)N TS19655 [0,1,0,1,0,0|2,0,0]=4 872 B13R2.162 c1cc2c(cc1F)C(CCO2)N TS32674 [0,1,0,1,0,0|2,0,0]=4 873 B13R2.342 Cc1cccc2c1CCCC2C TS42210 [0,1,0,1,0,0|2,0,0]=4 874 B13R2.342 c1cc2c(c(c1)Cl)CCCC2N TS49362 [0,1,0,1,0,0|1,1,0]=4 875 B13R2.342 c1cc2c(c(c1)F)CCCC2=O TS65160 [0,1,0,1,0,0|1,0,1]=4 876 B13R2.342 c1cc2c(c(c1)F)CCCC2N TS38174 [0,1,0,1,0,0|1,0,0]=3 877 B13R2.342 c1cc2c(c(c1)F)OCCC2N TS38501 [0,1,0,1,0,0|2,0,0]=4 878 B13R2.342 c1cc2c(c(c1)O)CCCC2O TS42756 [0,1,0,1,0,0|2,0,0]=4 879 B13R2.3018 c1cc(cc(c1)Br)C2(COC2)N TS85861 [0,1,0,1,0,0|1,1,0]=4 880 B13R2.3018 c1cc(cc(c1)Br)C2(COC2)O TS91407 [0,1,0,1,0,0|1,1,0]=4 881 B13R2.4820 c1cc2c(c(c1)Br)NCCCC2 TS68653 [0,1,0,1,0,0|1,1,0]=4 882 B13R2.5180 c1cc(c(c2c1C(=O)CC2)F)F TS12476 [0,1,0,1,0,0|2,0,0]=4 883 B13R2.3729 c1cc2c(cc1Br)NCCCC2 TS68652 [0,1,0,1,0,0|1,1,0]=4 884 B13R2.3729 c1cc2c(cc1Cl)CCCCN2 TS22339 [0,1,0,1,0,0|1,1,0]=4 885 B13R2.3729 c1cc2c(cc1Cl)NCCNC2 TS15071 [0,1,0,1,0,0|0,1,0]=3 886 B13R2.3729 c1cc2c(cc1F)CCCC=C2 TS42472 [0,1,0,1,0,0|1,0,1]=4 887 B13R2.3729 c1cc2c(cc1F)CNCCN2 TS43092 [0,1,0,1,0,0|2,0,0]=4 888 B13R2.3729 c1cc2c(cc1F)NCCCC2 TS38171 [0,1,0,1,0,0|1,0,0]=3 889 B13R2.3729 c1cc2c(cc1F)NCCNC2 TS43091 [0,1,0,1,0,0|0,0,0]=2 890 B13R2.3729 c1cc2c(cc1N)NCCNC2 TS42608 [0,1,0,1,0,0|1,0,0]=3 891 B13R2.4818 Cc1cccc2c1C(CCC2)C TS42211 [0,1,0,1,0,0|2,0,0]=4 892 B13R2.4818 c1cc2c(c(c1)Br)C(CCC2)N TS24121 [0,1,0,1,0,0|1,1,0]=4 893 B13R2.4818 c1cc2c(c(c1)F)C(=O)CCC2 TS55702 [0,1,0,1,0,0|1,0,1]=4 894 B13R2.4818 c1cc2c(c(c1)F)C(=O)CCO2 TS43012 [0,1,0,1,0,0|2,0,0]=4 895 B13R2.5179 CN1CCOc2c1ccc(c2)Br TS16497 [0,1,0,1,0,0|0,1,0]=3 896 B13R2.5179 c1cc2c(c(c1)F)CCC(=O)C2 TS42716 [0,1,0,1,0,0|1,0,1]=4 897 B13R2.5179 c1cc2c(c(c1)F)CCC(C2)N TS38175 [0,1,0,1,0,0|1,0,0]=3 898 B13R2.5179 c1cc2c(c(c1)F)OCC(C2)N TS19656 [0,1,0,1,0,0|2,0,0]=4 899 B13R2.5179 c1cc2c(cc1Br)CCNC2=O TS22927 [0,1,0,1,0,0|0,1,1]=4 900 B13R2.5179 c1cc2c(cc1Cl)CCNC2=O TS14848 [0,1,0,1,0,0|0,1,1]=4 901 B13R2.5179 c1cc2c(cc1F)CCCC2=O TS01224 [0,1,0,1,0,0|1,0,1]=4 902 B13R2.5179 c1cc2c(cc1F)CCNC2=O TS42877 [0,1,0,1,0,0|0,0,1]=3 903 B13R2.5179 c1cc2c(cc1F)OCCC2=O TS39797 [0,1,0,1,0,0|2,0,0]=4 904 B13R2.5179 c1cc2c(cc1O)CCNC2=O TS11705 [0,1,0,1,0,0|1,0,1]=4 905 B13R2.5331 Cc1cccc(c1)OCC2CO2 TS42752 [0,1,0,1,0,0|2,0,0]=4 906 B13R2.5331 c1cc(cc(c1)Cl)OC[C@@H]2CO2 TS59567 [0,1,0,1,0,0|1,1,0]=4 907 B13R2.5331 c1cc(cc(c1)Cl)OC[C@H]2CO2 TS59564 [0,1,0,1,0,0|1,1,0]=4 908 B13R2.5331 c1cc(cc(c1)F)OC[C@@H]2CO2 TS12506 [0,1,0,1,0,0|1,0,0]=3 909 B13R2.155 Cc1ccc2c(c1)CC(CC2)C TS42213 [0,1,0,1,0,0|2,0,0]=4 910 B13R2.155 c1cc2c(cc1Br)CC(CC2)N TS24125 [0,1,0,1,0,0|1,1,0]=4 911 B13R2.155 c1cc2c(cc1Cl)CC(CC2)N TS48168 [0,1,0,1,0,0|1,1,0]=4 912 B13R2.155 c1cc2c(cc1F)CC(=O)CC2 TS16517 [0,1,0,1,0,0|1,0,1]=4 913 B13R2.155 c1cc2c(cc1F)CC(CC2)N TS12051 [0,1,0,1,0,0|1,0,0]=3 914 B13R2.155 c1cc2c(cc1F)CC(CS2)N TS15162 [0,1,0,1,0,0|2,0,0]=4 915 B13R2.155 c1cc2c(cc1N)CC(CC2)N TS42504 [0,1,0,1,0,0|2,0,0]=4 916 B13R2.155 c1cc2c(cc1O)CC(CC2)N TS11729 [0,1,0,1,0,0|2,0,0]=4 917 B13R2.5190 CC1Cc2cc(ccc2C1=O)F TS42714 [0,1,0,1,0,0|2,0,0]=4 918 B13R2.5190 CN1c2ccc(cc2CC1=O)Br TS71398 [0,1,0,1,0,0|0,1,1]=4 919 B13R2.5190 CN1c2ccc(cc2CC1=O)N TS86168 [0,1,0,1,0,0|1,0,1]=4 920 B13R2.328 Cc1cc(c2c(c1)CCCC2)C TS42216 [0,1,0,1,0,0|2,0,0]=4 921 B13R2.328 c1c(cc(c2c1CNCC2)F)F TS38877 [0,1,0,1,0,0|2,0,0]=4 922 B13R2.3683 CC1CCc2cc(ccc2N1)F TS42909 [0,1,0,1,0,0|1,0,0]=3 923 B13R2.3683 Cc1ccc2c(c1)CCC(=O)C2 TS42191 [0,1,0,1,0,0|2,0,0]=4 924 B13R2.3683 Cc1ccc2c(c1)CCC(C2)C TS42209 [0,1,0,1,0,0|2,0,0]=4 925 B13R2.3683 c1cc2c(cc1Br)CCC(=O)C2 TS22922 [0,1,0,1,0,0|1,1,0]=4 926 B13R2.3683 c1cc2c(cc1Br)CCC(C2)N TS24124 [0,1,0,1,0,0|1,1,0]=4 927 B13R2.3683 c1cc2c(cc1Br)CC[C@@H](C2)N TS24120 [0,1,0,1,0,0|1,1,0]=4 928 B13R2.3683 c1cc2c(cc1Br)CC[C@H](C2)N TS24122 [0,1,0,1,0,0|1,1,0]=4 929 B13R2.3683 c1cc2c(cc1Cl)CCC(=O)C2 TS32668 [0,1,0,1,0,0|1,1,0]=4 930 B13R2.3683 c1cc2c(cc1Cl)CCC(C2)N TS22338 [0,1,0,1,0,0|1,1,0]=4 931 B13R2.3683 c1cc2c(cc1Cl)CCC(C2)N TS48169 [0,1,0,1,0,0|1,1,0]=4 932 B13R2.3683 c1cc2c(cc1F)CCC(=O)C2 TS42715 [0,1,0,1,0,0|1,0,0]=3 933 B13R2.3683 c1cc2c(cc1F)CCC(C2)N TS12048 [0,1,0,1,0,0|1,0,0]=3 934 B13R2.3683 c1cc2c(cc1F)CCC(C2)N TS38172 [0,1,0,1,0,0|1,0,0]=3 935 B13R2.3683 c1cc2c(cc1F)CCC(C2)O TS43083 [0,1,0,1,0,0|1,0,0]=3 936 B13R2.3683 c1cc2c(cc1F)CC[C@@H](C2)N TS38176 [0,1,0,1,0,0|1,0,0]=3 937 B13R2.3683 c1cc2c(cc1I)CCC(=O)C2 TS33321 [0,1,0,1,0,0|1,1,0]=4 938 B13R2.57 CCc1ccc2c(c1)CCCC2 TS42206 [0,1,0,1,0,0|2,0,0]=4 939 B13R2.57 COc1ccc2c(c1)CCNC2 TS11727 [0,1,0,1,0,0|1,0,0]=3 940 B13R2.57 COc1ccc2c(c1)CCNC2 TS18911 [0,1,0,1,0,0|1,0,0]=3 941 B13R2.57 c1cc2c(cc1C#N)CCNC2 TS00334 [0,1,0,1,0,0|1,0,0]=3 942 B13R2.57 c1cc2c(cc1C=O)CCCC2 TS42183 [0,1,0,1,0,0|2,0,0]=4 943 B13R2.1613 CCc1cccc2c1CCCC2 TS42214 [0,1,0,1,0,0|2,0,0]=4 944 B13R2.369 c1c2c(cc(c1N)O)CCCC2 TS11716 [0,1,0,1,0,0|2,0,0]=4 945 B13R2.369 c1c2c(cc(c1O)O)CNCC2 TS27412 [0,1,0,1,0,0|1,0,0]=3 946 B13R2.522 c1cc(c(cc1[C@@H]2C[C@H]2N)F)F TS90955 [0,1,0,1,0,0|2,0,0]=4 947 B13R2.11634 c1c2c(cc(c1F)Cl)C(=O)CC2 TS48654 [0,1,0,1,0,0|2,0,0]=4 948 B13R2.11634 c1c2c(cc(c1F)F)C(=O)CC2 TS71339 [0,1,0,1,0,0|2,0,0]=4 949 B13R2.11634 c1c2c(cc(c1F)O)C(=O)CC2 TS43015 [0,1,0,1,0,0|2,0,0]=4 950 B13R3.213 c1cc2c(cc1F)C3C(C2)O3 TS40836 [0,0,0,2,0,0|2,0,0]=4 951 B13R3.370 c1cc2c(c(c1)F)CC3C2O3 TS40835 [0,0,0,2,0,0|2,0,0]=4 952 B9R1.7 c1c(csc1CCN)Br TS38925 [1,0,0,0,1,0|1,1,0]=4 953 B9R1.7 c1cc(sc1CCN)Br TS26924 [1,0,0,0,1,0|1,1,0]=4 954 B9R1.7 c1cc(sc1CCN)Cl TS53962 [1,0,0,0,1,0|1,1,0]=4 955 B9R1.33 CNCc1cccn1C TS36015 [1,0,0,0,1,0|2,0,0]=4 956 B9R1.33 Cc1ccsc1CNC TS06621 [1,0,0,0,1,0|2,0,0]=4 957 B9R1.12 CCCCc1ccco1 TS35998 [1,0,0,0,1,0|2,0,0]=4 958 B9R1.12 CCCCc1cccs1 TS37432 [1,0,0,0,1,0|2,0,0]=4 959 B9R1.12 CCCCc1ccsc1 TS37433 [1,0,0,0,1,0|2,0,0]=4 960 B9R1.12 CNCCc1c[nH]cn1 TS53960 [1,0,0,0,1,0|2,0,0]=4 961 B9R1.12 CNCCc1cccs1 TS06619 [1,0,0,0,1,0|1,0,0]=3