0 B10R1.10 C=CCc1cccc(c1)F TS36995 [0,0,0,0,0,0|1,1,1]=3 1 B10R1.10 CCCc1cccc(c1)C TS36863 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.10 CCCc1cccc(c1)O TS70692 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.10 CCCc1cccc(n1)N TS55636 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.10 CCCc1ccnc(c1)N TS06105 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.10 CCNc1cccc(c1)C TS06008 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.10 CCOc1cc(ccn1)Br TS39324 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.10 CCOc1cc(ccn1)N TS39272 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.10 CCOc1cc(cnc1)Br TS32931 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.10 CCOc1cccc(c1)Br TS65957 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.10 CCOc1cccc(c1)C TS06098 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.10 CCOc1cccc(c1)F TS37372 [0,0,0,0,0,0|2,1,0]=3 12 B10R1.10 CCOc1cccc(c1)N TS37121 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.10 CCOc1cccc(c1)O TS06261 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.10 CCOc1cccc(c1)S TS41409 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.10 CCOc1cccc(n1)Br TS19319 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.10 CCOc1cccc(n1)Cl TS41836 [0,0,0,0,0,0|3,1,0]=4 17 B10R1.10 CCOc1cccc(n1)N TS37195 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.10 CCOc1ccnc(c1)Cl TS10912 [0,0,0,0,0,0|3,1,0]=4 19 B10R1.10 CCOc1ccnc(c1)F TS06579 [0,0,0,0,0,0|3,1,0]=4 20 B10R1.10 CCOc1ccnc(c1)N TS06274 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.10 CNCc1cc(ccn1)Br TS19154 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.10 CNCc1cc(cnc1)Br TS19151 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.10 CNCc1cccc(c1)Cl TS08974 [0,0,0,0,0,0|2,1,0]=3 24 B10R1.10 CNCc1cccc(c1)N TS37043 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.10 CNCc1ccnc(c1)Cl TS41733 [0,0,0,0,0,0|3,1,0]=4 26 B10R1.10 COCc1cccc(c1)F TS37370 [0,0,0,0,0,0|2,1,0]=3 27 B10R1.10 Cc1cccc(c1)CC#N TS05673 [0,0,0,0,0,0|1,0,2]=3 28 B10R1.10 Cc1cccc(c1)CCBr TS54163 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.10 Cc1cccc(c1)CCN TS45399 [0,0,0,0,0,0|1,0,0]=1 30 B10R1.10 Cc1cccc(c1)CCN TS70669 [0,0,0,0,0,0|1,0,0]=1 31 B10R1.10 Cc1cccc(c1)CCO TS37008 [0,0,0,0,0,0|2,0,0]=2 32 B10R1.10 Cc1cccc(c1)CNC TS36964 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.10 Cc1cccc(c1)N=C=O TS36748 [0,0,0,0,0,0|3,0,1]=4 34 B10R1.10 Cc1cccc(c1)N=C=S TS07590 [0,0,0,0,0,0|3,0,1]=4 35 B10R1.10 Cc1cccc(c1)NC=O TS36924 [0,0,0,0,0,0|3,0,1]=4 36 B10R1.10 Cc1cccc(n1)CCO TS37109 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.10 Cc1cccc(n1)CNC TS65175 [0,0,0,0,0,0|4,0,0]=4 38 B10R1.10 c1c(cncc1Br)CC#N TS08044 [0,0,0,0,0,0|1,0,2]=3 39 B10R1.10 c1c(cncc1Br)CNN TS92508 [0,0,0,0,0,0|2,0,0]=2 40 B10R1.10 c1c(cncc1F)CC#N TS90421 [0,0,0,0,0,0|1,1,2]=4 41 B10R1.10 c1cc(cc(c1)Br)C=NO TS18932 [0,0,0,0,0,0|2,0,1]=3 42 B10R1.10 c1cc(cc(c1)Br)CC#N TS09489 [0,0,0,0,0,0|0,0,2]=2 43 B10R1.10 c1cc(cc(c1)Br)CCN TS09479 [0,0,0,0,0,0|0,0,0]=0 44 B10R1.10 c1cc(cc(c1)Br)CCN TS37842 [0,0,0,0,0,0|0,0,0]=0 45 B10R1.10 c1cc(cc(c1)Br)CCO TS65956 [0,0,0,0,0,0|1,0,0]=1 46 B10R1.10 c1cc(cc(c1)Br)CNN TS85618 [0,0,0,0,0,0|1,0,0]=1 47 B10R1.10 c1cc(cc(c1)Br)CON TS26272 [0,0,0,0,0,0|1,0,0]=1 48 B10R1.10 c1cc(cc(c1)Br)C[Mg]Br TS33588 [0,0,0,0,0,0|2,0,0]=2 49 B10R1.10 c1cc(cc(c1)Br)N=C=S TS44459 [0,0,0,0,0,0|2,0,1]=3 50 B10R1.10 c1cc(cc(c1)Cl)C=NO TS16733 [0,0,0,0,0,0|2,1,1]=4 51 B10R1.10 c1cc(cc(c1)Cl)CC#N TS01789 [0,0,0,0,0,0|0,1,2]=3 52 B10R1.10 c1cc(cc(c1)Cl)CC=O TS10528 [0,0,0,0,0,0|1,1,1]=3 53 B10R1.10 c1cc(cc(c1)Cl)CCBr TS08143 [0,0,0,0,0,0|1,1,0]=2 54 B10R1.10 c1cc(cc(c1)Cl)CCN TS41558 [0,0,0,0,0,0|0,1,0]=1 55 B10R1.10 c1cc(cc(c1)Cl)CCO TS10796 [0,0,0,0,0,0|1,1,0]=2 56 B10R1.10 c1cc(cc(c1)Cl)CNN TS88866 [0,0,0,0,0,0|1,1,0]=2 57 B10R1.10 c1cc(cc(c1)Cl)CO[NH3+] TS17763 [0,0,0,0,0,0|1,1,1]=3 58 B10R1.10 c1cc(cc(c1)Cl)N=C=O TS10357 [0,0,0,0,0,0|2,1,1]=4 59 B10R1.10 c1cc(cc(c1)Cl)N=C=S TS12739 [0,0,0,0,0,0|2,1,1]=4 60 B10R1.10 c1cc(cc(c1)F)C=NO TS37269 [0,0,0,0,0,0|2,1,1]=4 61 B10R1.10 c1cc(cc(c1)F)CC#N TS70595 [0,0,0,0,0,0|0,1,2]=3 62 B10R1.10 c1cc(cc(c1)F)CC=O TS37173 [0,0,0,0,0,0|1,1,1]=3 63 B10R1.10 c1cc(cc(c1)F)CCBr TS32877 [0,0,0,0,0,0|1,1,0]=2 64 B10R1.10 c1cc(cc(c1)F)CCN TS70600 [0,0,0,0,0,0|0,1,0]=1 65 B10R1.10 c1cc(cc(c1)F)CCO TS37362 [0,0,0,0,0,0|1,1,0]=2 66 B10R1.10 c1cc(cc(c1)F)CNN TS88510 [0,0,0,0,0,0|1,1,0]=2 67 B10R1.10 c1cc(cc(c1)F)CON TS93853 [0,0,0,0,0,0|1,1,0]=2 68 B10R1.10 c1cc(cc(c1)F)N=C=O TS37081 [0,0,0,0,0,0|2,1,1]=4 69 B10R1.10 c1cc(cc(c1)F)N=C=S TS10317 [0,0,0,0,0,0|2,1,1]=4 70 B10R1.10 c1cc(cc(c1)I)CC#N TS26962 [0,0,0,0,0,0|0,1,2]=3 71 B10R1.10 c1cc(cc(c1)I)N=C=S TS68450 [0,0,0,0,0,0|2,1,1]=4 72 B10R1.10 c1cc(cc(c1)N)CCO TS06195 [0,0,0,0,0,0|2,0,0]=2 73 B10R1.10 c1cc(cc(c1)O)CCN TS39688 [0,0,0,0,0,0|1,0,0]=1 74 B10R1.10 c1cc(cc(c1)O)CCO TS06255 [0,0,0,0,0,0|2,0,0]=2 75 B10R1.10 c1cc(cc(c1)O)CCO TS06258 [0,0,0,0,0,0|2,0,0]=2 76 B10R1.10 c1cc(cc(c1)O)CNN TS43951 [0,0,0,0,0,0|2,0,0]=2 77 B10R1.10 c1cnc(cc1CCN)Br TS49022 [0,0,0,0,0,0|1,0,0]=1 78 B9R1.2 C#Cc1cccc(c1)Br TS65960 [1,0,0,0,0,0|0,0,2]=3 79 B9R1.2 C#Cc1cccc(c1)Cl TS02032 [1,0,0,0,0,0|0,1,2]=4 80 B9R1.2 C#Cc1cccc(c1)F TS70602 [1,0,0,0,0,0|0,1,2]=4 81 B9R1.2 C#Cc1cccc(c1)N TS02665 [1,0,0,0,0,0|1,0,2]=4 82 B9R1.2 C#Cc1cccc(c1)O TS32329 [1,0,0,0,0,0|1,0,2]=4 83 B9R1.2 C=Cc1cc(cnc1)Br TS48517 [1,0,0,0,0,0|1,0,2]=4 84 B9R1.2 C=Cc1cccc(c1)Br TS48377 [1,0,0,0,0,0|0,0,2]=3 85 B9R1.2 C=Cc1cccc(c1)Cl TS37252 [1,0,0,0,0,0|0,1,2]=4 86 B9R1.2 C=Cc1cccc(c1)F TS32503 [1,0,0,0,0,0|0,1,2]=4 87 B9R1.2 C=Cc1cccc(c1)N TS04792 [1,0,0,0,0,0|1,0,2]=4 88 B9R1.2 CC[n+]1cccc(c1)O TS38523 [1,0,0,0,0,0|2,0,0]=3 89 B9R1.2 CCc1cc(cnc1)Br TS91617 [1,0,0,0,0,0|1,0,0]=2 90 B9R1.2 CCc1cccc(c1)Br TS32764 [1,0,0,0,0,0|0,0,0]=1 91 B9R1.2 CCc1cccc(c1)C TS04835 [1,0,0,0,0,0|1,0,0]=2 92 B9R1.2 CCc1cccc(c1)N TS32463 [1,0,0,0,0,0|1,0,0]=2 93 B9R1.2 CCc1cccc(c1)O TS04895 [1,0,0,0,0,0|1,0,0]=2 94 B9R1.2 CCc1cccc(n1)C TS32466 [1,0,0,0,0,0|2,0,0]=3 95 B9R1.2 CCc1cccc(n1)N TS60098 [1,0,0,0,0,0|2,0,0]=3 96 B9R1.2 CCc1ccnc(c1)Br TS48833 [1,0,0,0,0,0|1,0,0]=2 97 B9R1.2 CCc1ccnc(c1)C TS32469 [1,0,0,0,0,0|2,0,0]=3 98 B9R1.2 CCc1ccnc(c1)N TS71108 [1,0,0,0,0,0|2,0,0]=3 99 B9R1.2 CNc1cc(ccn1)Cl TS37689 [1,0,0,0,0,0|2,1,0]=4 100 B9R1.2 CNc1cccc(c1)Br TS48829 [1,0,0,0,0,0|1,0,0]=2 101 B9R1.2 CNc1cccc(c1)Cl TS37535 [1,0,0,0,0,0|1,1,0]=3 102 B9R1.2 CNc1cccc(c1)F TS70598 [1,0,0,0,0,0|1,1,0]=3 103 B9R1.2 CNc1cccc(n1)Cl TS94212 [1,0,0,0,0,0|2,1,0]=4 104 B9R1.2 COc1cc(ccn1)Cl TS03053 [1,0,0,0,0,0|2,1,0]=4 105 B9R1.2 COc1cc(ccn1)F TS05258 [1,0,0,0,0,0|2,1,0]=4 106 B9R1.2 COc1cc(ccn1)I TS71184 [1,0,0,0,0,0|2,1,0]=4 107 B9R1.2 COc1cc(ccn1)N TS02966 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.2 COc1cc(cnc1)Br TS65932 [1,0,0,0,0,0|2,0,0]=3 109 B9R1.2 COc1cc(cnc1)Cl TS06905 [1,0,0,0,0,0|2,1,0]=4 110 B9R1.2 COc1cc(cnc1)I TS25666 [1,0,0,0,0,0|2,1,0]=4 111 B9R1.2 COc1cc(cnc1)N TS55470 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.2 COc1cc(cnc1)N TS89352 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.2 COc1cc(cnc1)O TS55469 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.2 COc1cc[nH]c(=O)c1 TS71209 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.2 COc1ccc[n+](c1)[O-] TS05090 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.2 COc1cccc(c1)Br TS00028 [1,0,0,0,0,0|1,0,0]=2 117 B9R1.2 COc1cccc(c1)Cl TS37686 [1,0,0,0,0,0|1,1,0]=3 118 B9R1.2 COc1cccc(c1)F TS70591 [1,0,0,0,0,0|1,1,0]=3 119 B9R1.2 COc1cccc(c1)I TS39445 [1,0,0,0,0,0|1,1,0]=3 120 B9R1.2 COc1cccc(c1)N TS02081 [1,0,0,0,0,0|2,0,0]=3 121 B9R1.2 COc1cccc(c1)N TS11191 [1,0,0,0,0,0|2,0,0]=3 122 B9R1.2 COc1cccc(c1)O TS39714 [1,0,0,0,0,0|2,0,0]=3 123 B9R1.2 COc1cccc(c1)S TS70650 [1,0,0,0,0,0|2,0,0]=3 124 B9R1.2 COc1cccc(c1)[Zn+] TS74541 [1,0,0,0,0,0|2,0,0]=3 125 B9R1.2 COc1cccc(n1)Br TS08366 [1,0,0,0,0,0|2,0,0]=3 126 B9R1.2 COc1cccc(n1)Cl TS55270 [1,0,0,0,0,0|2,1,0]=4 127 B9R1.2 COc1cccc(n1)I TS56597 [1,0,0,0,0,0|2,1,0]=4 128 B9R1.2 COc1cccc(n1)O TS05074 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.2 COc1ccnc(c1)Br TS08328 [1,0,0,0,0,0|2,0,0]=3 130 B9R1.2 COc1ccnc(c1)Cl TS55226 [1,0,0,0,0,0|2,1,0]=4 131 B9R1.2 COc1ccnc(c1)N TS47406 [1,0,0,0,0,0|3,0,0]=4 132 B9R1.2 CSc1cccc(c1)Br TS60340 [1,0,0,0,0,0|1,0,0]=2 133 B9R1.2 CSc1cccc(c1)Cl TS42003 [1,0,0,0,0,0|1,1,0]=3 134 B9R1.2 CSc1cccc(c1)F TS60012 [1,0,0,0,0,0|1,1,0]=3 135 B9R1.2 CSc1cccc(c1)I TS27987 [1,0,0,0,0,0|1,1,0]=3 136 B9R1.2 CSc1cccc(c1)N TS02674 [1,0,0,0,0,0|2,0,0]=3 137 B9R1.2 CSc1ccnc(c1)Cl TS11198 [1,0,0,0,0,0|2,1,0]=4 138 B9R1.2 Cc1cc(cnc1)CCl TS46377 [1,0,0,0,0,0|3,0,0]=4 139 B9R1.2 Cc1cc(cnc1)CO TS04972 [1,0,0,0,0,0|3,0,0]=4 140 B9R1.2 Cc1cc(cnc1)OC TS04960 [1,0,0,0,0,0|3,0,0]=4 141 B9R1.2 Cc1cc(nnc1)CN TS92511 [1,0,0,0,0,0|3,0,0]=4 142 B9R1.2 Cc1cccc(c1)C#C TS32229 [1,0,0,0,0,0|1,0,2]=4 143 B9R1.2 Cc1cccc(c1)C#N TS02843 [1,0,0,0,0,0|1,0,2]=4 144 B9R1.2 Cc1cccc(c1)C=C TS70680 [1,0,0,0,0,0|1,0,2]=4 145 B9R1.2 Cc1cccc(c1)CBr TS00037 [1,0,0,0,0,0|2,0,0]=3 146 B9R1.2 Cc1cccc(c1)CCl TS37460 [1,0,0,0,0,0|2,0,0]=3 147 B9R1.2 Cc1cccc(c1)CN TS04866 [1,0,0,0,0,0|1,0,0]=2 148 B9R1.2 Cc1cccc(c1)CO TS04903 [1,0,0,0,0,0|2,0,0]=3 149 B9R1.2 Cc1cccc(c1)CS TS06306 [1,0,0,0,0,0|2,0,0]=3 150 B9R1.2 Cc1cccc(c1)C[Zn+] TS38912 [1,0,0,0,0,0|2,0,0]=3 151 B9R1.2 Cc1cccc(c1)NC TS32467 [1,0,0,0,0,0|2,0,0]=3 152 B9R1.2 Cc1cccc(c1)NN TS04918 [1,0,0,0,0,0|2,0,0]=3 153 B9R1.2 Cc1cccc(c1)NN TS41997 [1,0,0,0,0,0|2,0,0]=3 154 B9R1.2 Cc1cccc(c1)OC TS32509 [1,0,0,0,0,0|2,0,0]=3 155 B9R1.2 Cc1cccc(c1)[Mg]Br TS52067 [1,0,0,0,0,0|3,0,0]=4 156 B9R1.2 Cc1cccc(c1)[Mg]Cl TS40952 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.2 Cc1cccc(n1)CBr TS30360 [1,0,0,0,0,0|3,0,0]=4 158 B9R1.2 Cc1cccc(n1)CBr TS48832 [1,0,0,0,0,0|3,0,0]=4 159 B9R1.2 Cc1cccc(n1)CCl TS46378 [1,0,0,0,0,0|3,0,0]=4 160 B9R1.2 Cc1cccc(n1)CN TS01962 [1,0,0,0,0,0|2,0,0]=3 161 B9R1.2 Cc1cccc(n1)CO TS04961 [1,0,0,0,0,0|3,0,0]=4 162 B9R1.2 Cc1cccc(n1)OC TS00087 [1,0,0,0,0,0|3,0,0]=4 163 B9R1.2 Cc1ccnc(c1)CN TS04912 [1,0,0,0,0,0|2,0,0]=3 164 B9R1.2 Cc1ccnc(c1)OC TS04955 [1,0,0,0,0,0|3,0,0]=4 165 B9R1.2 Cc1ccnc(n1)CN TS87070 [1,0,0,0,0,0|3,0,0]=4 166 B9R1.2 [C-]#[N+]c1cccc(c1)Br TS14867 [1,0,0,0,0,0|1,0,1]=3 167 B9R1.2 c1c([nH]cnc1=O)CN TS92245 [1,0,0,0,0,0|3,0,0]=4 168 B9R1.2 c1c(cncc1Br)C#N TS09810 [1,0,0,0,0,0|1,0,2]=4 169 B9R1.2 c1c(cncc1Br)C=O TS16988 [1,0,0,0,0,0|2,0,1]=4 170 B9R1.2 c1c(cncc1Br)CCl TS26941 [1,0,0,0,0,0|2,0,0]=3 171 B9R1.2 c1c(cncc1Br)CN TS49021 [1,0,0,0,0,0|1,0,0]=2 172 B9R1.2 c1c(cncc1Br)CO TS16995 [1,0,0,0,0,0|2,0,0]=3 173 B9R1.2 c1c(cncc1Cl)CCl TS91325 [1,0,0,0,0,0|2,1,0]=4 174 B9R1.2 c1c(cncc1Cl)CO TS08050 [1,0,0,0,0,0|2,1,0]=4 175 B9R1.2 c1c(cncc1F)CCl TS91777 [1,0,0,0,0,0|2,1,0]=4 176 B9R1.2 c1c(cncc1F)CN TS90364 [1,0,0,0,0,0|1,1,0]=3 177 B9R1.2 c1c(cncc1F)CO TS86069 [1,0,0,0,0,0|2,1,0]=4 178 B9R1.2 c1c(cncc1I)CCl TS58052 [1,0,0,0,0,0|2,1,0]=4 179 B9R1.2 c1c(cncc1I)CO TS56598 [1,0,0,0,0,0|2,1,0]=4 180 B9R1.2 c1c(cncc1N)CO TS32612 [1,0,0,0,0,0|3,0,0]=4 181 B9R1.2 c1c(nc(cn1)Cl)CN TS87934 [1,0,0,0,0,0|2,1,0]=4 182 B9R1.2 c1c(ncnc1N)CN TS90583 [1,0,0,0,0,0|3,0,0]=4 183 B9R1.2 c1c[nH]c(=O)cc1CN TS90761 [1,0,0,0,0,0|2,0,0]=3 184 B9R1.2 c1c[nH]c(=O)cc1CO TS90976 [1,0,0,0,0,0|3,0,0]=4 185 B9R1.2 c1cc(cc(c1)Br)C#N TS09482 [1,0,0,0,0,0|0,0,2]=3 186 B9R1.2 c1cc(cc(c1)Br)C=O TS09477 [1,0,0,0,0,0|1,0,1]=3 187 B9R1.2 c1cc(cc(c1)Br)CBr TS09487 [1,0,0,0,0,0|1,0,0]=2 188 B9R1.2 c1cc(cc(c1)Br)CCl TS09488 [1,0,0,0,0,0|1,0,0]=2 189 B9R1.2 c1cc(cc(c1)Br)CN TS09486 [1,0,0,0,0,0|0,0,0]=1 190 B9R1.2 c1cc(cc(c1)Br)CN TS23568 [1,0,0,0,0,0|0,0,0]=1 191 B9R1.2 c1cc(cc(c1)Br)CO TS09485 [1,0,0,0,0,0|1,0,0]=2 192 B9R1.2 c1cc(cc(c1)Br)CS TS19525 [1,0,0,0,0,0|1,0,0]=2 193 B9R1.2 c1cc(cc(c1)Br)NN TS65962 [1,0,0,0,0,0|1,0,0]=2 194 B9R1.2 c1cc(cc(c1)Cl)C#N TS00143 [1,0,0,0,0,0|0,1,2]=4 195 B9R1.2 c1cc(cc(c1)Cl)C=O TS00142 [1,0,0,0,0,0|1,1,1]=4 196 B9R1.2 c1cc(cc(c1)Cl)CBr TS02030 [1,0,0,0,0,0|1,1,0]=3 197 B9R1.2 c1cc(cc(c1)Cl)CCl TS01788 [1,0,0,0,0,0|1,1,0]=3 198 B9R1.2 c1cc(cc(c1)Cl)CN TS02029 [1,0,0,0,0,0|0,1,0]=2 199 B9R1.2 c1cc(cc(c1)Cl)CO TS02715 [1,0,0,0,0,0|1,1,0]=3 200 B9R1.2 c1cc(cc(c1)Cl)[Mg]Br TS21954 [1,0,0,0,0,0|2,1,0]=4 201 B9R1.2 c1cc(cc(c1)F)C#N TS70592 [1,0,0,0,0,0|0,1,2]=4 202 B9R1.2 c1cc(cc(c1)F)C=O TS16744 [1,0,0,0,0,0|1,1,1]=4 203 B9R1.2 c1cc(cc(c1)F)CBr TS70593 [1,0,0,0,0,0|1,1,0]=3 204 B9R1.2 c1cc(cc(c1)F)CCl TS70594 [1,0,0,0,0,0|1,1,0]=3 205 B9R1.2 c1cc(cc(c1)F)CN TS39435 [1,0,0,0,0,0|0,1,0]=2 206 B9R1.2 c1cc(cc(c1)F)CO TS39434 [1,0,0,0,0,0|1,1,0]=3 207 B9R1.2 c1cc(cc(c1)F)CS TS06688 [1,0,0,0,0,0|1,1,0]=3 208 B9R1.2 c1cc(cc(c1)I)C#N TS70628 [1,0,0,0,0,0|0,1,2]=4 209 B9R1.2 c1cc(cc(c1)I)C=O TS53246 [1,0,0,0,0,0|1,1,1]=4 210 B9R1.2 c1cc(cc(c1)I)CBr TS70629 [1,0,0,0,0,0|1,1,0]=3 211 B9R1.2 c1cc(cc(c1)I)CN TS53419 [1,0,0,0,0,0|0,1,0]=2 212 B9R1.2 c1cc(cc(c1)I)CN TS73918 [1,0,0,0,0,0|0,1,0]=2 213 B9R1.2 c1cc(cc(c1)I)CO TS53549 [1,0,0,0,0,0|1,1,0]=3 214 B9R1.2 c1cc(cc(c1)N)C#N TS65877 [1,0,0,0,0,0|1,0,2]=4 215 B9R1.2 c1cc(cc(c1)N)C=O TS04864 [1,0,0,0,0,0|2,0,1]=4 216 B9R1.2 c1cc(cc(c1)N)C=O TS10917 [1,0,0,0,0,0|2,0,1]=4 217 B9R1.2 c1cc(cc(c1)N)CN TS32516 [1,0,0,0,0,0|1,0,0]=2 218 B9R1.2 c1cc(cc(c1)N)CO TS59603 [1,0,0,0,0,0|2,0,0]=3 219 B9R1.2 c1cc(cc(c1)O)C#N TS02727 [1,0,0,0,0,0|1,0,2]=4 220 B9R1.2 c1cc(cc(c1)O)C=O TS70619 [1,0,0,0,0,0|2,0,1]=4 221 B9R1.2 c1cc(cc(c1)O)CBr TS49013 [1,0,0,0,0,0|2,0,0]=3 222 B9R1.2 c1cc(cc(c1)O)CCl TS37687 [1,0,0,0,0,0|2,0,0]=3 223 B9R1.2 c1cc(cc(c1)O)CO TS32602 [1,0,0,0,0,0|2,0,0]=3 224 B9R1.2 c1cc(cc(c1)[Mg]Br)F TS37776 [1,0,0,0,0,0|2,1,0]=4 225 B9R1.2 c1cc(cc(c1)[Zn+])C#N TS35725 [1,0,0,0,0,0|1,0,2]=4 226 B9R1.2 c1cc(cn(=O)c1)CO TS05088 [1,0,0,0,0,0|3,0,0]=4 227 B9R1.2 c1cc(nc(c1)Br)C#N TS32666 [1,0,0,0,0,0|1,0,2]=4 228 B9R1.2 c1cc(nc(c1)Br)C=O TS16476 [1,0,0,0,0,0|2,0,1]=4 229 B9R1.2 c1cc(nc(c1)Br)CBr TS28129 [1,0,0,0,0,0|2,0,0]=3 230 B9R1.2 c1cc(nc(c1)Br)CN TS49016 [1,0,0,0,0,0|1,0,0]=2 231 B9R1.2 c1cc(nc(c1)Br)CO TS55136 [1,0,0,0,0,0|2,0,0]=3 232 B9R1.2 c1cc(nc(c1)Br)NN TS50645 [1,0,0,0,0,0|2,0,0]=3 233 B9R1.2 c1cc(nc(c1)Cl)CBr TS39094 [1,0,0,0,0,0|2,1,0]=4 234 B9R1.2 c1cc(nc(c1)Cl)CO TS46565 [1,0,0,0,0,0|2,1,0]=4 235 B9R1.2 c1cc(nc(c1)Cl)CO TS55567 [1,0,0,0,0,0|2,1,0]=4 236 B9R1.2 c1cc(nc(c1)Cl)NN TS55261 [1,0,0,0,0,0|2,1,0]=4 237 B9R1.2 c1cc(nc(c1)I)CO TS25668 [1,0,0,0,0,0|2,1,0]=4 238 B9R1.2 c1cnc(cc1Br)C#N TS71010 [1,0,0,0,0,0|1,0,2]=4 239 B9R1.2 c1cnc(cc1Br)C=O TS71011 [1,0,0,0,0,0|2,0,1]=4 240 B9R1.2 c1cnc(cc1Br)CN TS39553 [1,0,0,0,0,0|1,0,0]=2 241 B9R1.2 c1cnc(cc1Br)CN TS87352 [1,0,0,0,0,0|1,0,0]=2 242 B9R1.2 c1cnc(cc1Br)CO TS08030 [1,0,0,0,0,0|2,0,0]=3 243 B9R1.2 c1cnc(cc1C#N)Br TS00848 [1,0,0,0,0,0|1,0,2]=4 244 B9R1.2 c1cnc(cc1C=O)Br TS00862 [1,0,0,0,0,0|2,0,1]=4 245 B9R1.2 c1cnc(cc1CCl)N TS37692 [1,0,0,0,0,0|3,0,0]=4 246 B9R1.2 c1cnc(cc1CN)Cl TS06803 [1,0,0,0,0,0|1,1,0]=3 247 B9R1.2 c1cnc(cc1CN)N TS03001 [1,0,0,0,0,0|2,0,0]=3 248 B9R1.2 c1cnc(cc1CO)Br TS00864 [1,0,0,0,0,0|2,0,0]=3 249 B9R1.2 c1cnc(cc1CO)Cl TS46504 [1,0,0,0,0,0|2,1,0]=4 250 B9R1.2 c1cnc(cc1CO)F TS36210 [1,0,0,0,0,0|2,1,0]=4 251 B9R1.2 c1cnc(cc1CO)N TS00819 [1,0,0,0,0,0|3,0,0]=4 252 B9R1.2 c1cnc(cc1Cl)CN TS37691 [1,0,0,0,0,0|1,1,0]=3 253 B9R1.2 c1cnc(cc1Cl)CN TS44724 [1,0,0,0,0,0|1,1,0]=3 254 B9R1.2 c1cnc(cc1Cl)CO TS08035 [1,0,0,0,0,0|2,1,0]=4 255 B9R1.2 c1cnc(cc1Cl)NN TS94440 [1,0,0,0,0,0|2,1,0]=4 256 B9R1.2 c1cnc(cc1NN)Cl TS55218 [1,0,0,0,0,0|2,1,0]=4 257 B9R1.2 c1cnc(nc1CN)O TS88742 [1,0,0,0,0,0|3,0,0]=4 258 B9R1.8 C#CCc1ccccc1 TS32230 [1,0,0,0,0,0|1,0,1]=3 259 B9R1.8 C=CC[n+]1ccccc1 TS37844 [1,0,0,0,0,0|2,0,1]=4 260 B9R1.8 C=CCc1ccccc1 TS32347 [1,0,0,0,0,0|1,0,1]=3 261 B9R1.8 C=CSc1ccccc1 TS06113 [1,0,0,0,0,0|2,0,1]=4 262 B9R1.8 CC#Cc1ccccc1 TS04599 [1,0,0,0,0,0|1,0,2]=4 263 B9R1.8 CC=Cc1ccccc1 TS32346 [1,0,0,0,0,0|1,0,2]=4 264 B9R1.8 CCC[n+]1ccccc1 TS38202 [1,0,0,0,0,0|2,0,0]=3 265 B9R1.8 CCCc1ccccc1 TS04832 [1,0,0,0,0,0|1,0,0]=2 266 B9R1.8 CCCc1ccccn1 TS85359 [1,0,0,0,0,0|2,0,0]=3 267 B9R1.8 CCCc1cnccn1 TS59984 [1,0,0,0,0,0|3,0,0]=4 268 B9R1.8 CCNc1ccccc1 TS04869 [1,0,0,0,0,0|2,0,0]=3 269 B9R1.8 CCOc1ccccc1 TS04896 [1,0,0,0,0,0|2,0,0]=3 270 B9R1.8 CCOc1ccccn1 TS55309 [1,0,0,0,0,0|3,0,0]=4 271 B9R1.8 CCOc1ccncc1 TS04974 [1,0,0,0,0,0|3,0,0]=4 272 B9R1.8 CCSc1ccccc1 TS06299 [1,0,0,0,0,0|2,0,0]=3 273 B9R1.8 CNCc1ccccc1 TS01938 [1,0,0,0,0,0|2,0,0]=3 274 B9R1.8 CNCc1ccccn1 TS51966 [1,0,0,0,0,0|3,0,0]=4 275 B9R1.8 CNCc1cccnc1 TS02609 [1,0,0,0,0,0|3,0,0]=4 276 B9R1.8 CNCc1ccncc1 TS65238 [1,0,0,0,0,0|3,0,0]=4 277 B9R1.8 CNNc1ccccc1 TS85406 [1,0,0,0,0,0|3,0,0]=4 278 B9R1.8 COCc1ccccc1 TS04897 [1,0,0,0,0,0|2,0,0]=3 279 B9R1.8 COCc1ccccn1 TS00518 [1,0,0,0,0,0|3,0,0]=4 280 B9R1.8 CSCc1ccccc1 TS06309 [1,0,0,0,0,0|2,0,0]=3 281 B9R1.8 CSSc1ccccc1 TS41708 [1,0,0,0,0,0|3,0,0]=4 282 B9R1.8 [C-]#[N+]Cc1ccccc1 TS04681 [1,0,0,0,0,0|2,0,0]=3 283 B9R1.8 [Li]C#Cc1ccccc1 TS04133 [1,0,0,0,0,0|1,0,2]=4 284 B9R1.8 c1c(cncn1)CNN TS87915 [1,0,0,0,0,0|3,0,0]=4 285 B9R1.8 c1cc(cnc1)CC#N TS04724 [1,0,0,0,0,0|1,0,2]=4 286 B9R1.8 c1cc(cnc1)CCN TS41995 [1,0,0,0,0,0|1,0,0]=2 287 B9R1.8 c1cc(cnc1)CCN TS65667 [1,0,0,0,0,0|1,0,0]=2 288 B9R1.8 c1cc(cnc1)CCO TS39614 [1,0,0,0,0,0|2,0,0]=3 289 B9R1.8 c1cc(cnc1)CNN TS87066 [1,0,0,0,0,0|2,0,0]=3 290 B9R1.8 c1cc(nnc1)CNN TS92328 [1,0,0,0,0,0|3,0,0]=4 291 B9R1.8 c1cc[n+](cc1)CC#N TS41465 [1,0,0,0,0,0|1,0,2]=4 292 B9R1.8 c1ccc(cc1)C#CBr TS48021 [1,0,0,0,0,0|1,0,2]=4 293 B9R1.8 c1ccc(cc1)C=CBr TS48378 [1,0,0,0,0,0|1,0,2]=4 294 B9R1.8 c1ccc(cc1)C=CCl TS37253 [1,0,0,0,0,0|1,0,2]=4 295 B9R1.8 c1ccc(cc1)C=CN TS55760 [1,0,0,0,0,0|0,0,2]=3 296 B9R1.8 c1ccc(cc1)C=N#N TS04720 [1,0,0,0,0,0|1,0,2]=4 297 B9R1.8 c1ccc(cc1)C=NN TS04817 [1,0,0,0,0,0|1,0,1]=3 298 B9R1.8 c1ccc(cc1)CC#N TS04678 [1,0,0,0,0,0|0,0,2]=3 299 B9R1.8 c1ccc(cc1)CCBr TS15419 [1,0,0,0,0,0|1,0,0]=2 300 B9R1.8 c1ccc(cc1)CCCl TS37454 [1,0,0,0,0,0|1,0,0]=2 301 B9R1.8 c1ccc(cc1)CCI TS25156 [1,0,0,0,0,0|1,0,0]=2 302 B9R1.8 c1ccc(cc1)CCN TS22602 [1,0,0,0,0,0|0,0,0]=1 303 B9R1.8 c1ccc(cc1)CCN TS65627 [1,0,0,0,0,0|0,0,0]=1 304 B9R1.8 c1ccc(cc1)CCO TS04901 [1,0,0,0,0,0|1,0,0]=2 305 B9R1.8 c1ccc(cc1)CCS TS06307 [1,0,0,0,0,0|1,0,0]=2 306 B9R1.8 c1ccc(cc1)CC[Zn+] TS62914 [1,0,0,0,0,0|1,0,0]=2 307 B9R1.8 c1ccc(cc1)CNN TS09177 [1,0,0,0,0,0|1,0,0]=2 308 B9R1.8 c1ccc(cc1)CNN TS21284 [1,0,0,0,0,0|1,0,0]=2 309 B9R1.8 c1ccc(cc1)CNO TS01934 [1,0,0,0,0,0|2,0,0]=3 310 B9R1.8 c1ccc(cc1)CNO TS93618 [1,0,0,0,0,0|2,0,0]=3 311 B9R1.8 c1ccc(cc1)C[Mg]Br TS52066 [1,0,0,0,0,0|2,0,0]=3 312 B9R1.8 c1ccc(cc1)C[Mg]Cl TS40953 [1,0,0,0,0,0|2,0,0]=3 313 B9R1.8 c1ccc(cc1)N=C=O TS32396 [1,0,0,0,0,0|2,0,1]=4 314 B9R1.8 c1ccc(cc1)N=C=S TS06000 [1,0,0,0,0,0|2,0,1]=4 315 B9R1.8 c1ccc(cc1)N=[N+]=[N-] TS04781 [1,0,0,0,0,0|2,0,1]=4 316 B9R1.8 c1ccc(cc1)NC=O TS04863 [1,0,0,0,0,0|2,0,1]=4 317 B9R1.8 c1ccc(cc1)OC#N TS32392 [1,0,0,0,0,0|1,0,2]=4 318 B9R1.8 c1ccc(cc1)OC=O TS32488 [1,0,0,0,0,0|2,0,1]=4 319 B9R1.8 c1ccc(cc1)SCCl TS42004 [1,0,0,0,0,0|2,0,0]=3 320 B9R1.8 c1ccc(cc1)[Se]C#N TS48175 [1,0,0,0,0,0|1,0,2]=4 321 B9R1.8 c1ccc(cc1)[SiH2]CCl TS10803 [1,0,0,0,0,0|1,1,0]=3 322 B9R1.8 c1ccnc(c1)CC#N TS04723 [1,0,0,0,0,0|1,0,2]=4 323 B9R1.8 c1ccnc(c1)CCCl TS37532 [1,0,0,0,0,0|2,0,0]=3 324 B9R1.8 c1ccnc(c1)CCN TS04914 [1,0,0,0,0,0|1,0,0]=2 325 B9R1.8 c1ccnc(c1)CCN TS17997 [1,0,0,0,0,0|1,0,0]=2 326 B9R1.8 c1ccnc(c1)CCO TS04967 [1,0,0,0,0,0|2,0,0]=3 327 B9R1.8 c1ccnc(c1)CNN TS87756 [1,0,0,0,0,0|2,0,0]=3 328 B9R1.8 c1cnc(cn1)CCN TS32564 [1,0,0,0,0,0|2,0,0]=3 329 B9R1.8 c1cnc(cn1)CCS TS37406 [1,0,0,0,0,0|3,0,0]=4 330 B9R1.8 c1cnc(cn1)CNN TS88060 [1,0,0,0,0,0|3,0,0]=4 331 B9R1.8 c1cnc(nc1)CNN TS88342 [1,0,0,0,0,0|3,0,0]=4 332 B9R1.8 c1cnccc1CCN TS09522 [1,0,0,0,0,0|1,0,0]=2 333 B9R1.8 c1cnccc1CCO TS70737 [1,0,0,0,0,0|2,0,0]=3 334 B9R1.8 c1cnccc1CCS TS06395 [1,0,0,0,0,0|2,0,0]=3 335 B9R1.8 c1cnccc1CCS TS46022 [1,0,0,0,0,0|2,0,0]=3 336 B9R1.8 c1cnccc1CNN TS85585 [1,0,0,0,0,0|2,0,0]=3 337 B9R1.8 c1cncnc1CCN TS86707 [1,0,0,0,0,0|2,0,0]=3 338 B9R1.8 c1cnncc1CNN TS91906 [1,0,0,0,0,0|3,0,0]=4 339 B11R1.13 C=CCc1cccc(c1O)Cl TS44953 [0,1,0,0,0,0|1,1,1]=4 340 B11R1.13 CCNc1cccc(c1C)C TS40772 [0,1,0,0,0,0|3,0,0]=4 341 B11R1.13 CCNc1cccc(c1Cl)Cl TS51011 [0,1,0,0,0,0|2,1,0]=4 342 B11R1.13 CCOc1cccc(c1F)F TS59507 [0,1,0,0,0,0|2,1,0]=4 343 B11R1.13 Cc1cccc(c1C)CC#N TS07113 [0,1,0,0,0,0|1,0,2]=4 344 B11R1.13 Cc1cccc(c1O)CC=C TS07465 [0,1,0,0,0,0|2,0,1]=4 345 B11R1.13 c1cc(c(c(c1)Cl)Cl)CC#N TS48825 [0,1,0,0,0,0|0,1,2]=4 346 B11R1.13 c1cc(c(c(c1)Cl)Cl)CCN TS51010 [0,1,0,0,0,0|0,1,0]=2 347 B11R1.13 c1cc(c(c(c1)Cl)Cl)CCN TS51019 [0,1,0,0,0,0|0,1,0]=2 348 B11R1.13 c1cc(c(c(c1)Cl)Cl)CCO TS17227 [0,1,0,0,0,0|1,1,0]=3 349 B11R1.13 c1cc(c(c(c1)Cl)F)CC#N TS65487 [0,1,0,0,0,0|0,1,2]=4 350 B11R1.13 c1cc(c(c(c1)F)F)CC#N TS02341 [0,1,0,0,0,0|0,1,2]=4 351 B11R1.13 c1cc(c(c(c1)F)F)CCO TS10940 [0,1,0,0,0,0|1,1,0]=3 352 B11R1.23 CCC(=O)c1cccc(c1)C TS40654 [0,1,0,0,0,0|2,0,1]=4 353 B11R1.23 CCC(=O)c1cccc(c1)Cl TS12612 [0,1,0,0,0,0|1,1,1]=4 354 B11R1.23 CCC(=O)c1cccc(c1)F TS02767 [0,1,0,0,0,0|1,1,1]=4 355 B11R1.23 CCC(=O)c1cccc(c1)N TS40743 [0,1,0,0,0,0|2,0,1]=4 356 B11R1.23 CCC(=O)c1cccc(c1)O TS02798 [0,1,0,0,0,0|2,0,1]=4 357 B11R1.23 CCN(c1cccc(c1)C)N TS09936 [0,1,0,0,0,0|3,0,0]=4 358 B11R1.23 CC[C@@H](c1cccc(c1)Cl)N TS45063 [0,1,0,0,0,0|1,1,0]=3 359 B11R1.23 COC(=O)c1cccc(c1)Br TS56266 [0,1,0,0,0,0|2,0,1]=4 360 B11R1.23 Cc1cccc(c1)C(=O)NN TS40877 [0,1,0,0,0,0|2,0,1]=4 361 B11R1.23 Cc1cccc(c1)C(CN)O TS50638 [0,1,0,0,0,0|1,0,0]=2 362 B11R1.23 c1c(cncc1Br)C(=O)NN TS44783 [0,1,0,0,0,0|2,0,1]=4 363 B11R1.23 c1cc(cc(c1)Br)C(=O)C#N TS43720 [0,1,0,0,0,0|0,0,3]=4 364 B11R1.23 c1cc(cc(c1)Br)C(=O)CBr TS47138 [0,1,0,0,0,0|1,0,1]=3 365 B11R1.23 c1cc(cc(c1)Br)C(=O)NN TS22887 [0,1,0,0,0,0|1,0,1]=3 366 B11R1.23 c1cc(cc(c1)Br)C(CN)O TS28394 [0,1,0,0,0,0|0,0,0]=1 367 B11R1.23 c1cc(cc(c1)Cl)C(=O)CBr TS00836 [0,1,0,0,0,0|1,1,1]=4 368 B11R1.23 c1cc(cc(c1)Cl)C(=O)CCl TS50852 [0,1,0,0,0,0|1,1,1]=4 369 B11R1.23 c1cc(cc(c1)Cl)C(=O)CN TS20094 [0,1,0,0,0,0|0,1,1]=3 370 B11R1.23 c1cc(cc(c1)Cl)C(=O)NN TS45241 [0,1,0,0,0,0|1,1,1]=4 371 B11R1.23 c1cc(cc(c1)Cl)C(CBr)O TS25796 [0,1,0,0,0,0|1,1,0]=3 372 B11R1.23 c1cc(cc(c1)Cl)C(CCl)O TS51228 [0,1,0,0,0,0|1,1,0]=3 373 B11R1.23 c1cc(cc(c1)Cl)C(CN)O TS43396 [0,1,0,0,0,0|0,1,0]=2 374 B11R1.23 c1cc(cc(c1)Cl)C(CO)Cl TS17228 [0,1,0,0,0,0|1,1,0]=3 375 B11R1.23 c1cc(cc(c1)Cl)[C@@H](CO)N TS93997 [0,1,0,0,0,0|1,1,0]=3 376 B11R1.23 c1cc(cc(c1)Cl)[C@H](CCl)O TS51236 [0,1,0,0,0,0|1,1,0]=3 377 B11R1.23 c1cc(cc(c1)Cl)[C@H](CN)O TS43393 [0,1,0,0,0,0|0,1,0]=2 378 B11R1.23 c1cc(cc(c1)Cl)[C@H](CO)N TS45378 [0,1,0,0,0,0|1,1,0]=3 379 B11R1.23 c1cc(cc(c1)Cl)[C@H](CO)O TS45562 [0,1,0,0,0,0|1,1,0]=3 380 B11R1.23 c1cc(cc(c1)F)C(=O)CBr TS70599 [0,1,0,0,0,0|1,1,1]=4 381 B11R1.23 c1cc(cc(c1)F)C(=O)CCl TS09259 [0,1,0,0,0,0|1,1,1]=4 382 B11R1.23 c1cc(cc(c1)F)C(=O)NN TS10394 [0,1,0,0,0,0|1,1,1]=4 383 B11R1.23 c1cc(cc(c1)F)C(CN)O TS51365 [0,1,0,0,0,0|0,1,0]=2 384 B11R1.23 c1cc(cc(c1)N)C(=O)CBr TS44452 [0,1,0,0,0,0|2,0,1]=4 385 B11R1.23 c1cc(cc(c1)N)C(=O)NN TS10046 [0,1,0,0,0,0|2,0,1]=4 386 B11R1.23 c1cc(cc(c1)O)C(=O)CBr TS44634 [0,1,0,0,0,0|2,0,1]=4 387 B11R1.23 c1cc(cc(c1)O)C(=O)NN TS41112 [0,1,0,0,0,0|2,0,1]=4 388 B11R1.23 c1cc(cc(c1)O)C(CN)O TS16253 [0,1,0,0,0,0|1,0,0]=2 389 B11R1.23 c1cc(cc(c1)O)C(CN)O TS41280 [0,1,0,0,0,0|1,0,0]=2 390 B11R1.24 CCCC[n+]1cccc(c1)C TS24837 [0,1,0,0,0,0|3,0,0]=4 391 B11R1.24 CCNCc1cccc(c1)Br TS21623 [0,1,0,0,0,0|1,0,0]=2 392 B11R1.24 CCNCc1cccc(c1)Cl TS45055 [0,1,0,0,0,0|1,1,0]=3 393 B11R1.24 CCNCc1cccc(c1)F TS10327 [0,1,0,0,0,0|1,1,0]=3 394 B11R1.24 CNCCc1cccc(c1)Cl TS12742 [0,1,0,0,0,0|0,1,0]=2 395 B11R1.24 CNCCc1cccc(c1)F TS10334 [0,1,0,0,0,0|0,1,0]=2 396 B11R1.24 Cc1cccc(c1)CCNC TS07599 [0,1,0,0,0,0|1,0,0]=2 397 B11R1.24 Cc1cccc(c1)CN=C=O TS07334 [0,1,0,0,0,0|2,0,1]=4 398 B11R1.24 Cc1cccc(c1)CN=C=S TS42618 [0,1,0,0,0,0|2,0,1]=4 399 B11R1.24 Cc1cccc(c1)CN=[N+]=[N-] TS07356 [0,1,0,0,0,0|2,0,1]=4 400 B11R1.24 Cc1cccc(c1)NCCO TS41037 [0,1,0,0,0,0|2,0,0]=3 401 B11R1.24 Cc1cccc(c1)OCCBr TS21831 [0,1,0,0,0,0|2,0,0]=3 402 B11R1.24 Cc1cccc(c1)OCCO TS41130 [0,1,0,0,0,0|2,0,0]=3 403 B11R1.24 Cc1cccc(c1)SCCO TS44907 [0,1,0,0,0,0|2,0,0]=3 404 B11R1.24 [C-]#[N+]CCc1cccc(c1)F TS07563 [0,1,0,0,0,0|0,1,1]=3 405 B11R1.24 c1c(cncc1Br)C#CCO TS21236 [0,1,0,0,0,0|2,0,1]=4 406 B11R1.24 c1c(cncc1Br)OCCO TS49351 [0,1,0,0,0,0|2,0,0]=3 407 B11R1.24 c1cc(cc(c1)Br)C#CCO TS21063 [0,1,0,0,0,0|1,0,1]=3 408 B11R1.24 c1cc(cc(c1)Br)C=CC=O TS21060 [0,1,0,0,0,0|1,0,2]=4 409 B11R1.24 c1cc(cc(c1)Br)CCC#N TS20835 [0,1,0,0,0,0|0,0,1]=2 410 B11R1.24 c1cc(cc(c1)Br)OCCBr TS54287 [0,1,0,0,0,0|1,0,0]=2 411 B11R1.24 c1cc(cc(c1)Br)OCCF TS22534 [0,1,0,0,0,0|1,0,0]=2 412 B11R1.24 c1cc(cc(c1)Cl)C#CCO TS12311 [0,1,0,0,0,0|1,1,1]=4 413 B11R1.24 c1cc(cc(c1)Cl)CN=C=S TS15205 [0,1,0,0,0,0|1,1,1]=4 414 B11R1.24 c1cc(cc(c1)Cl)OCC#N TS43269 [0,1,0,0,0,0|0,1,2]=4 415 B11R1.24 c1cc(cc(c1)Cl)OCCBr TS25792 [0,1,0,0,0,0|1,1,0]=3 416 B11R1.24 c1cc(cc(c1)Cl)OCCO TS45563 [0,1,0,0,0,0|1,1,0]=3 417 B11R1.24 c1cc(cc(c1)F)CN=C=O TS40976 [0,1,0,0,0,0|1,1,1]=4 418 B11R1.24 c1cc(cc(c1)F)CN=C=S TS12392 [0,1,0,0,0,0|1,1,1]=4 419 B11R1.24 c1cc(cc(c1)O)CCCO TS41149 [0,1,0,0,0,0|2,0,0]=3 420 B11R1.24 c1cc(cc(c1)OCCO)O TS10404 [0,1,0,0,0,0|2,0,0]=3 421 B11R1.34 C=CCc1cc(cc(c1)Cl)F TS45246 [0,1,0,0,0,0|1,1,1]=4 422 B11R1.34 C=CCc1cc(cc(c1)F)F TS10401 [0,1,0,0,0,0|1,1,1]=4 423 B11R1.34 CCCc1cc(cc(=O)o1)O TS10418 [0,1,0,0,0,0|3,0,0]=4 424 B11R1.34 CCNc1cc(cc(c1)Cl)Cl TS16293 [0,1,0,0,0,0|2,1,0]=4 425 B11R1.34 CCOc1cc(cc(c1)Cl)F TS13592 [0,1,0,0,0,0|2,1,0]=4 426 B11R1.34 Cc1cc(cc(c1)CC#N)C TS40328 [0,1,0,0,0,0|1,0,2]=4 427 B11R1.34 c1c(cc(cc1Br)Br)CC#N TS02576 [0,1,0,0,0,0|0,0,2]=3 428 B11R1.34 c1c(cc(cc1F)Cl)CC#N TS09357 [0,1,0,0,0,0|0,1,2]=4 429 B11R1.34 c1c(cc(cc1F)F)CC#N TS02585 [0,1,0,0,0,0|0,1,2]=4 430 B11R1.157 C=C(Cc1cccc(c1)F)Br TS21819 [0,1,0,0,0,0|1,1,1]=4 431 B11R1.157 CC(=O)Cc1cccc(c1)Br TS21446 [0,1,0,0,0,0|1,0,1]=3 432 B11R1.157 CC(=O)Cc1cccc(c1)Cl TS12621 [0,1,0,0,0,0|1,1,1]=4 433 B11R1.157 CC(=O)Cc1cccc(c1)F TS10165 [0,1,0,0,0,0|1,1,1]=4 434 B11R1.157 CC(=O)Cc1cccc(c1)O TS40855 [0,1,0,0,0,0|2,0,1]=4 435 B11R1.157 CC(=O)Nc1cccc(c1)Br TS44446 [0,1,0,0,0,0|2,0,1]=4 436 B11R1.157 CC(C)Nc1cccc(c1)F TS10329 [0,1,0,0,0,0|2,1,0]=4 437 B11R1.157 CC(C)Oc1cccc(c1)Br TS46927 [0,1,0,0,0,0|2,0,0]=3 438 B11R1.157 CC(C)Oc1cccc(c1)F TS41381 [0,1,0,0,0,0|2,1,0]=4 439 B11R1.157 CC(C)Oc1cccc(c1)N TS10079 [0,1,0,0,0,0|3,0,0]=4 440 B11R1.157 CN(C)Cc1cccc(c1)Br TS21619 [0,1,0,0,0,0|2,0,0]=3 441 B11R1.157 CN(C)Cc1cccc(c1)N TS09938 [0,1,0,0,0,0|3,0,0]=4 442 B11R1.157 Cc1cccc(c1)CC(=O)C TS40649 [0,1,0,0,0,0|2,0,1]=4 443 B11R1.157 Cc1cccc(c1)CC(=O)Cl TS44949 [0,1,0,0,0,0|2,0,1]=4 444 B11R1.157 Cc1cccc(c1)CC(=O)O TS40851 [0,1,0,0,0,0|2,0,1]=4 445 B11R1.157 Cc1cccc(c1)NC(=O)N TS09889 [0,1,0,0,0,0|2,0,1]=4 446 B11R1.157 Cc1cccc(c1)NC(=S)N TS12287 [0,1,0,0,0,0|2,0,1]=4 447 B11R1.157 Cc1cccc(c1)NC(C)C TS40773 [0,1,0,0,0,0|3,0,0]=4 448 B11R1.157 c1c(cncc1Br)CC(=O)O TS16996 [0,1,0,0,0,0|2,0,1]=4 449 B11R1.157 c1cc(cc(c1)Br)CC(=O)O TS65959 [0,1,0,0,0,0|1,0,1]=3 450 B11R1.157 c1cc(cc(c1)Br)NC(=S)N TS25027 [0,1,0,0,0,0|1,0,1]=3 451 B11R1.157 c1cc(cc(c1)Br)OC(F)F TS46432 [0,1,0,0,0,0|2,0,0]=3 452 B11R1.157 c1cc(cc(c1)Cl)CC(=O)Cl TS50846 [0,1,0,0,0,0|1,1,1]=4 453 B11R1.157 c1cc(cc(c1)Cl)CC(=O)O TS02722 [0,1,0,0,0,0|1,1,1]=4 454 B11R1.157 c1cc(cc(c1)Cl)NC(=O)N TS45238 [0,1,0,0,0,0|1,1,1]=4 455 B11R1.157 c1cc(cc(c1)Cl)NC(=S)N TS15737 [0,1,0,0,0,0|1,1,1]=4 456 B11R1.157 c1cc(cc(c1)F)CC(=O)Cl TS13264 [0,1,0,0,0,0|1,1,1]=4 457 B11R1.157 c1cc(cc(c1)F)CC(=O)O TS01567 [0,1,0,0,0,0|1,1,1]=4 458 B11R1.157 c1cc(cc(c1)F)NC(=S)N TS12813 [0,1,0,0,0,0|1,1,1]=4 459 B11R1.157 c1cc(cc(c1)I)CC(=O)O TS70632 [0,1,0,0,0,0|1,1,1]=4 460 B11R1.157 c1cc(cc(c1)N)CC(=O)O TS65876 [0,1,0,0,0,0|2,0,1]=4 461 B11R1.157 c1cc(cc(c1)NC(=O)N)N TS10043 [0,1,0,0,0,0|2,0,1]=4 462 B11R1.157 c1cc(cc(c1)NC(=O)N)N TS50627 [0,1,0,0,0,0|2,0,1]=4 463 B11R1.157 c1cc(cc(c1)O)CC(=O)O TS02792 [0,1,0,0,0,0|2,0,1]=4 464 B11R1.157 c1cc(cc(c1)O)NC(=S)N TS44894 [0,1,0,0,0,0|2,0,1]=4 465 B11R1.157 c1cc(cc(c1)OC(F)F)N TS59588 [0,1,0,0,0,0|3,0,0]=4 466 B11R1.157 c1cc(cc(c1)OC(F)F)O TS42115 [0,1,0,0,0,0|3,0,0]=4 467 B11R1.157 c1cc(cc(c1)SC(F)F)N TS13692 [0,1,0,0,0,0|3,0,0]=4 468 B11R1.157 c1cnc(cc1CC(=O)O)Br TS44775 [0,1,0,0,0,0|2,0,1]=4 469 B11R1.182 C=CCc1cc(ccc1O)Cl TS44950 [0,1,0,0,0,0|1,1,1]=4 470 B11R1.182 CCNc1cc(ccc1C)O TS41041 [0,1,0,0,0,0|3,0,0]=4 471 B11R1.182 CCNc1cc(ccc1Cl)Cl TS51022 [0,1,0,0,0,0|2,1,0]=4 472 B11R1.182 CCOc1cc(ccc1Br)N TS28395 [0,1,0,0,0,0|3,0,0]=4 473 B11R1.182 CCOc1cc(ccc1Cl)F TS13585 [0,1,0,0,0,0|2,1,0]=4 474 B11R1.182 CCOc1cc(ccc1F)Cl TS13597 [0,1,0,0,0,0|2,1,0]=4 475 B11R1.182 CCOc1cc(ccc1N)F TS51362 [0,1,0,0,0,0|2,1,0]=4 476 B11R1.182 CCOc1cc(ccc1O)C TS10189 [0,1,0,0,0,0|3,0,0]=4 477 B11R1.182 CNCc1cc(ccc1Cl)Cl TS33078 [0,1,0,0,0,0|2,1,0]=4 478 B11R1.182 COCc1cc(ccc1Br)F TS22533 [0,1,0,0,0,0|2,1,0]=4 479 B11R1.182 COCc1cc(ccc1F)Br TS22532 [0,1,0,0,0,0|2,0,0]=3 480 B11R1.182 Cc1ccc(c(c1)CC#N)C TS07114 [0,1,0,0,0,0|1,0,2]=4 481 B11R1.182 Cc1ccc(c(c1)CCN)C TS07614 [0,1,0,0,0,0|1,0,0]=2 482 B11R1.182 Cc1ccc(c(c1)CCO)C TS40917 [0,1,0,0,0,0|2,0,0]=3 483 B11R1.182 Cc1ccc(c(c1)CSC)O TS12580 [0,1,0,0,0,0|3,0,0]=4 484 B11R1.182 Cc1ccc(cc1CC#N)F TS40737 [0,1,0,0,0,0|0,1,2]=4 485 B11R1.182 [C-]#[N+]Cc1cc(ccc1F)Br TS21596 [0,1,0,0,0,0|2,0,0]=3 486 B11R1.182 c1cc(c(cc1Br)C=NO)F TS49339 [0,1,0,0,0,0|2,0,1]=4 487 B11R1.182 c1cc(c(cc1Br)N=C=S)Br TS58340 [0,1,0,0,0,0|2,0,1]=4 488 B11R1.182 c1cc(c(cc1Cl)CC#N)Cl TS48828 [0,1,0,0,0,0|0,1,2]=4 489 B11R1.182 c1cc(c(cc1Cl)CC#N)F TS60082 [0,1,0,0,0,0|0,1,2]=4 490 B11R1.182 c1cc(c(cc1Cl)CCN)Cl TS51018 [0,1,0,0,0,0|0,1,0]=2 491 B11R1.182 c1cc(c(cc1Cl)CCO)Cl TS51229 [0,1,0,0,0,0|1,1,0]=3 492 B11R1.182 c1cc(c(cc1F)CC#N)Br TS21597 [0,1,0,0,0,0|0,1,2]=4 493 B11R1.182 c1cc(c(cc1F)CC#N)Cl TS09286 [0,1,0,0,0,0|0,1,2]=4 494 B11R1.182 c1cc(c(cc1F)CC#N)F TS41234 [0,1,0,0,0,0|0,1,2]=4 495 B11R1.182 c1cc(c(cc1N)CCO)N TS28052 [0,1,0,0,0,0|2,0,0]=3 496 B11R1.189 CCCc1cccc(c1)NN TS15741 [0,1,0,0,0,0|2,0,0]=3 497 B11R1.189 CCOc1cccc(c1)C=O TS09862 [0,1,0,0,0,0|3,0,0]=4 498 B11R1.189 CCOc1cccc(c1)CO TS41134 [0,1,0,0,0,0|3,0,0]=4 499 B11R1.189 CCSc1cccc(c1)CN TS43261 [0,1,0,0,0,0|3,0,0]=4 500 B11R1.189 CNCc1cccc(c1)C#N TS40441 [0,1,0,0,0,0|3,0,0]=4 501 B11R1.189 CNCc1cccc(c1)OC TS41039 [0,1,0,0,0,0|3,0,0]=4 502 B11R1.189 COc1cccc(c1)CCN TS02822 [0,1,0,0,0,0|1,0,0]=2 503 B11R1.189 COc1cccc(c1)CCO TS41136 [0,1,0,0,0,0|2,0,0]=3 504 B11R1.189 COc1cccc(c1)CNN TS88044 [0,1,0,0,0,0|2,0,0]=3 505 B11R1.189 COc1cccc(c1)CO[NH3+] TS16252 [0,1,0,0,0,0|2,0,1]=4 506 B11R1.189 c1cc(cc(c1)C#N)CC#N TS37570 [0,1,0,0,0,0|1,0,2]=4 507 B11R1.189 c1cc(cc(c1)CO)CC#N TS07329 [0,1,0,0,0,0|1,0,2]=4 508 B11R1.189 c1cc(cc(c1)CO)CCN TS41046 [0,1,0,0,0,0|1,0,0]=2 509 B11R1.192 C=CCc1ccc(c(c1)Cl)F TS45245 [0,1,0,0,0,0|1,1,1]=4 510 B11R1.192 C=CCc1ccc(c(c1)F)Cl TS45247 [0,1,0,0,0,0|1,1,1]=4 511 B11R1.192 C=CCc1ccc(c(c1)F)F TS10400 [0,1,0,0,0,0|1,1,1]=4 512 B11R1.192 CCNc1ccc(c(c1)Cl)Cl TS51008 [0,1,0,0,0,0|2,1,0]=4 513 B11R1.192 CCOc1ccc(c(c1)Cl)F TS13603 [0,1,0,0,0,0|2,1,0]=4 514 B11R1.192 CCOc1ccc(c(c1)F)Cl TS13591 [0,1,0,0,0,0|2,1,0]=4 515 B11R1.192 CCOc1ccc(c(c1)F)F TS10941 [0,1,0,0,0,0|2,1,0]=4 516 B11R1.192 CCOc1ccc(c(c1)F)N TS51367 [0,1,0,0,0,0|2,1,0]=4 517 B11R1.192 Cc1cc(ccc1F)CC=C TS40884 [0,1,0,0,0,0|2,0,1]=4 518 B11R1.192 Cc1cc(ccc1F)CCO TS41380 [0,1,0,0,0,0|2,0,0]=3 519 B11R1.192 Cc1ccc(cc1C)CC#N TS07125 [0,1,0,0,0,0|1,0,2]=4 520 B11R1.192 Cc1ccc(cc1C)CCN TS65765 [0,1,0,0,0,0|1,0,0]=2 521 B11R1.192 Cc1ccc(cc1F)CC#N TS02759 [0,1,0,0,0,0|0,1,2]=4 522 B11R1.192 Cc1ccc(cc1F)CC=C TS40885 [0,1,0,0,0,0|1,1,1]=4 523 B11R1.192 Cc1ccc(cc1F)CCO TS41379 [0,1,0,0,0,0|1,1,0]=3 524 B11R1.192 [C-]#[N+]Cc1ccc(c(c1)Br)F TS21595 [0,1,0,0,0,0|2,0,0]=3 525 B11R1.192 c1cc(c(cc1C=NO)Br)F TS49338 [0,1,0,0,0,0|2,0,1]=4 526 B11R1.192 c1cc(c(cc1CC#N)Cl)Cl TS60316 [0,1,0,0,0,0|0,1,2]=4 527 B11R1.192 c1cc(c(cc1CC#N)Cl)F TS02689 [0,1,0,0,0,0|0,1,2]=4 528 B11R1.192 c1cc(c(cc1CC#N)F)Cl TS07781 [0,1,0,0,0,0|0,1,2]=4 529 B11R1.192 c1cc(c(cc1CC#N)F)F TS41239 [0,1,0,0,0,0|0,1,2]=4 530 B11R1.192 c1cc(c(cc1CCN)Cl)Cl TS51014 [0,1,0,0,0,0|0,1,0]=2 531 B11R1.192 c1cc(c(cc1CCN)Cl)Cl TS77162 [0,1,0,0,0,0|0,1,0]=2 532 B11R1.192 c1cc(c(cc1CCN)O)O TS16255 [0,1,0,0,0,0|1,0,0]=2 533 B11R1.192 c1cc(c(cc1CCN)O)O TS19647 [0,1,0,0,0,0|1,0,0]=2 534 B11R1.192 c1cc(c(cc1CCN)O)O TS25493 [0,1,0,0,0,0|1,0,0]=2 535 B11R1.192 c1cc(c(cc1CCO)Cl)Cl TS51235 [0,1,0,0,0,0|1,1,0]=3 536 B11R1.192 c1cc(c(cc1CCO)Cl)F TS13598 [0,1,0,0,0,0|1,1,0]=3 537 B11R1.192 c1cc(c(cc1CCO)F)Cl TS13605 [0,1,0,0,0,0|1,1,0]=3 538 B11R1.192 c1cc(c(cc1CCO)F)F TS10938 [0,1,0,0,0,0|1,1,0]=3 539 B11R1.192 c1cc(c(cc1CCO)O)O TS02550 [0,1,0,0,0,0|2,0,0]=3 540 B11R1.192 c1cc(c(cc1CO[NH3+])Cl)Cl TS24615 [0,1,0,0,0,0|1,1,1]=4 541 B11R1.192 c1cc(c(cc1N=C=S)Br)F TS25170 [0,1,0,0,0,0|2,0,1]=4 542 B11R2.35 c1cc(cc(c1)Br)C2CC2 TS16329 [0,0,0,1,0,0|1,0,0]=2 543 B11R2.35 c1cc(cc(c1)Cl)[C@H]2CO2 TS41458 [0,0,0,1,0,0|1,1,0]=3 544 B11R2.36 Cc1ccc2c(c1)CCN2 TS55481 [0,0,0,1,0,0|1,0,0]=2 545 B11R2.36 Cc1ccc2c(c1)NCC2 TS36773 [0,0,0,1,0,0|3,0,0]=4 546 B11R2.36 Cc1ccc2c(c1)OCO2 TS36988 [0,0,0,1,0,0|3,0,0]=4 547 B11R2.36 Cc1ccc2c(c1)cc[nH]2 TS01156 [0,0,0,1,0,0|1,0,2]=4 548 B11R2.36 Cc1ccc2c(c1)cn[nH]2 TS55476 [0,0,0,1,0,0|2,0,1]=4 549 B11R2.36 Cc1ccc2c(c1)nn[nH]2 TS36761 [0,0,0,1,0,0|3,0,0]=4 550 B11R2.36 Cc1ccc2c(c1)nn[nH]2 TS73521 [0,0,0,1,0,0|3,0,0]=4 551 B11R2.36 c1c(cnc2c1CCC2)Br TS53949 [0,0,0,1,0,0|2,0,0]=3 552 B11R2.36 c1c(cnc2c1CCC2)N TS05911 [0,0,0,1,0,0|3,0,0]=4 553 B11R2.36 c1c(cnc2c1CCN2)Br TS16970 [0,0,0,1,0,0|1,0,0]=2 554 B11R2.36 c1c(cnc2c1CNC2)Br TS85841 [0,0,0,1,0,0|3,0,0]=4 555 B11R2.36 c1c2cn[nH]c2cnc1Br TS88153 [0,0,0,1,0,0|2,0,1]=4 556 B11R2.36 c1c2cn[nH]c2ncc1Br TS03254 [0,0,0,1,0,0|2,0,1]=4 557 B11R2.36 c1c[nH]c2c1cc(cn2)Br TS71451 [0,0,0,1,0,0|1,0,2]=4 558 B11R2.36 c1c[nH]c2c1cc(nc2)Br TS18398 [0,0,0,1,0,0|1,0,2]=4 559 B11R2.36 c1cc(cc2c1cc[nH]2)Br TS55563 [0,0,0,1,0,0|2,0,1]=4 560 B11R2.36 c1cc(nc2c1CCC2)Cl TS32914 [0,0,0,1,0,0|2,1,0]=4 561 B11R2.36 c1cc(nc2c1CCC2)O TS29456 [0,0,0,1,0,0|3,0,0]=4 562 B11R2.36 c1cc(nc2c1[nH]cc2)Br TS16999 [0,0,0,1,0,0|1,0,2]=4 563 B11R2.36 c1cc(nc2c1[nH]cn2)Br TS90052 [0,0,0,1,0,0|2,0,1]=4 564 B11R2.36 c1cc(nc2c1[nH]nc2)Br TS90947 [0,0,0,1,0,0|2,0,1]=4 565 B11R2.36 c1cc2c(cc1Br)C=CC2 TS03252 [0,0,0,1,0,0|1,0,2]=4 566 B11R2.36 c1cc2c(cc1Br)CCN2 TS09804 [0,0,0,1,0,0|0,0,0]=1 567 B11R2.36 c1cc2c(cc1Br)CCO2 TS16969 [0,0,0,1,0,0|1,0,0]=2 568 B11R2.36 c1cc2c(cc1Br)CNC2 TS09806 [0,0,0,1,0,0|2,0,0]=3 569 B11R2.36 c1cc2c(cc1Br)cn[nH]2 TS71464 [0,0,0,1,0,0|1,0,1]=3 570 B11R2.36 c1cc2c(cc1Br)nco2 TS71458 [0,0,0,1,0,0|2,0,1]=4 571 B11R2.36 c1cc2c(cc1Br)ncs2 TS71457 [0,0,0,1,0,0|2,0,1]=4 572 B11R2.36 c1cc2c(cc1Br)nn[nH]2 TS03248 [0,0,0,1,0,0|2,0,0]=3 573 B11R2.36 c1cc2c(cc1Br)non2 TS71410 [0,0,0,1,0,0|2,0,1]=4 574 B11R2.36 c1cc2c(cc1Br)nsn2 TS21821 [0,0,0,1,0,0|2,0,1]=4 575 B11R2.36 c1cc2c(cc1Br)ocn2 TS55557 [0,0,0,1,0,0|1,0,2]=4 576 B11R2.36 c1cc2c(cc1Br)scn2 TS55556 [0,0,0,1,0,0|1,0,2]=4 577 B11R2.36 c1cc2c(cc1Cl)CCN2 TS41319 [0,0,0,1,0,0|0,1,0]=2 578 B11R2.36 c1cc2c(cc1Cl)NCC2 TS41318 [0,0,0,1,0,0|2,1,0]=4 579 B11R2.36 c1cc2c(cc1Cl)NCC2 TS55565 [0,0,0,1,0,0|2,1,0]=4 580 B11R2.36 c1cc2c(cc1Cl)OCO2 TS10792 [0,0,0,1,0,0|2,1,0]=4 581 B11R2.36 c1cc2c(cc1Cl)cn[nH]2 TS89463 [0,0,0,1,0,0|1,1,1]=4 582 B11R2.36 c1cc2c(cc1Cl)nn[nH]2 TS10359 [0,0,0,1,0,0|2,1,0]=4 583 B11R2.36 c1cc2c(cc1F)CCN2 TS06181 [0,0,0,1,0,0|0,1,0]=2 584 B11R2.36 c1cc2c(cc1F)CNC2 TS39775 [0,0,0,1,0,0|2,1,0]=4 585 B11R2.36 c1cc2c(cc1F)NCC2 TS06182 [0,0,0,1,0,0|2,1,0]=4 586 B11R2.36 c1cc2c(cc1F)cn[nH]2 TS03297 [0,0,0,1,0,0|1,1,1]=4 587 B11R2.36 c1cc2c(cc1F)nc[nH]2 TS36976 [0,0,0,1,0,0|1,1,1]=4 588 B11R2.36 c1cc2c(cc1F)nn[nH]2 TS60434 [0,0,0,1,0,0|2,1,0]=4 589 B11R2.36 c1cc2c(cc1I)CCO2 TS62237 [0,0,0,1,0,0|1,1,0]=3 590 B11R2.36 c1cc2c(cc1I)OCO2 TS62506 [0,0,0,1,0,0|2,1,0]=4 591 B11R2.36 c1cc2c(cc1I)cn[nH]2 TS03347 [0,0,0,1,0,0|1,1,1]=4 592 B11R2.36 c1cc2c(cc1N)CCC2 TS36771 [0,0,0,1,0,0|2,0,0]=3 593 B11R2.36 c1cc2c(cc1N)CCO2 TS85408 [0,0,0,1,0,0|2,0,0]=3 594 B11R2.36 c1cc2c(cc1N)NCC2 TS20316 [0,0,0,1,0,0|3,0,0]=4 595 B11R2.36 c1cc2c(cc1N)OCO2 TS59883 [0,0,0,1,0,0|3,0,0]=4 596 B11R2.36 c1cc2c(cc1N)cn[nH]2 TS71375 [0,0,0,1,0,0|2,0,1]=4 597 B11R2.36 c1cc2c(cc1O)CCC2 TS36851 [0,0,0,1,0,0|2,0,0]=3 598 B11R2.36 c1cc2c(cc1O)CCO2 TS36986 [0,0,0,1,0,0|2,0,0]=3 599 B11R2.36 c1cc2c(cc1O)OCO2 TS39810 [0,0,0,1,0,0|3,0,0]=4 600 B11R2.36 c1cc2c(cc1O)cn[nH]2 TS46952 [0,0,0,1,0,0|2,0,1]=4 601 B11R2.36 c1cc2c(cc[nH]2)cc1Br TS71465 [0,0,0,1,0,0|0,0,2]=3 602 B11R2.36 c1cc2c(cc[nH]2)cc1Br TS94754 [0,0,0,1,0,0|0,0,2]=3 603 B11R2.36 c1cc2c(cc[nH]2)cc1Cl TS71514 [0,0,0,1,0,0|0,1,2]=4 604 B11R2.36 c1cc2c(cc[nH]2)cc1F TS03319 [0,0,0,1,0,0|0,1,2]=4 605 B11R2.36 c1cc2c(cc[nH]2)cc1I TS26961 [0,0,0,1,0,0|0,1,2]=4 606 B11R2.36 c1cc2c(cc[nH]2)cc1N TS36684 [0,0,0,1,0,0|1,0,2]=4 607 B11R2.36 c1cc2c(cc[nH]2)cc1O TS03333 [0,0,0,1,0,0|1,0,2]=4 608 B11R2.36 c1cc2c(cco2)cc1Br TS71455 [0,0,0,1,0,0|1,0,2]=4 609 B11R2.36 c1cc2c(ccs2)cc1Br TS71466 [0,0,0,1,0,0|1,0,2]=4 610 B11R2.36 c1cc2c(ccs2)cc1Br TS93234 [0,0,0,1,0,0|1,0,2]=4 611 B11R2.36 c1cc2cn[nH]c2cc1Br TS55538 [0,0,0,1,0,0|3,0,0]=4 612 B11R2.106 Cc1cccc2c1NCC2 TS39800 [0,0,0,1,0,0|1,0,0]=2 613 B11R2.106 Cc1cccc2c1[nH]cc2 TS09161 [0,0,0,1,0,0|1,0,2]=4 614 B11R2.106 Cc1cccc2c1[nH]nc2 TS55690 [0,0,0,1,0,0|2,0,1]=4 615 B11R2.106 c1c2c(c(cn1)Br)NCC2 TS87581 [0,0,0,1,0,0|1,0,0]=2 616 B11R2.106 c1c2c(c(cn1)Br)[nH]cn2 TS89998 [0,0,0,1,0,0|2,0,1]=4 617 B11R2.106 c1c2cn[nH]c2c(cn1)Br TS86450 [0,0,0,1,0,0|2,0,1]=4 618 B11R2.106 c1c[nH]c2c1ccnc2Br TS55658 [0,0,0,1,0,0|1,0,2]=4 619 B11R2.106 c1c[nH]c2c1cncc2Br TS85143 [0,0,0,1,0,0|1,0,2]=4 620 B11R2.106 c1c[nH]c2c1nccc2Br TS18387 [0,0,0,1,0,0|1,0,2]=4 621 B11R2.106 c1cc(c2c(c1)NCC2)N TS05908 [0,0,0,1,0,0|3,0,0]=4 622 B11R2.106 c1cc(c2c(c1)OCC2)N TS07697 [0,0,0,1,0,0|3,0,0]=4 623 B11R2.106 c1cc(c2c(c1)OCO2)N TS32755 [0,0,0,1,0,0|3,0,0]=4 624 B11R2.106 c1cc2c(c(c1)Br)CCC2 TS89098 [0,0,0,1,0,0|1,0,0]=2 625 B11R2.106 c1cc2c(c(c1)Br)CCN2 TS53950 [0,0,0,1,0,0|2,0,0]=3 626 B11R2.106 c1cc2c(c(c1)Br)CNC2 TS53948 [0,0,0,1,0,0|2,0,0]=3 627 B11R2.106 c1cc2c(c(c1)Br)CNC2 TS56566 [0,0,0,1,0,0|2,0,0]=3 628 B11R2.106 c1cc2c(c(c1)Br)OCO2 TS03032 [0,0,0,1,0,0|2,0,0]=3 629 B11R2.106 c1cc2c(c(c1)Br)nco2 TS32797 [0,0,0,1,0,0|1,0,2]=4 630 B11R2.106 c1cc2c(c(c1)Br)nsn2 TS21822 [0,0,0,1,0,0|2,0,1]=4 631 B11R2.106 c1cc2c(c(c1)Br)ocn2 TS53947 [0,0,0,1,0,0|2,0,1]=4 632 B11R2.106 c1cc2c(c(c1)Br)scn2 TS87473 [0,0,0,1,0,0|2,0,1]=4 633 B11R2.106 c1cc2c(c(c1)Cl)CCN2 TS09013 [0,0,0,1,0,0|2,1,0]=4 634 B11R2.106 c1cc2c(c(c1)Cl)CCO2 TS10531 [0,0,0,1,0,0|2,1,0]=4 635 B11R2.106 c1cc2c(c(c1)Cl)CNC2 TS51016 [0,0,0,1,0,0|2,1,0]=4 636 B11R2.106 c1cc2c(c(c1)F)CNC2 TS45698 [0,0,0,1,0,0|2,1,0]=4 637 B11R2.106 c1cc2c(c(c1)I)CCN2 TS62109 [0,0,0,1,0,0|2,1,0]=4 638 B11R2.106 c1cc2c(c(c1)N)CCC2 TS36770 [0,0,0,1,0,0|2,0,0]=3 639 B11R2.106 c1cc2c(c(c1)N)NCC2 TS20315 [0,0,0,1,0,0|1,0,0]=2 640 B11R2.106 c1cc2c(cc[nH]2)c(c1)Br TS09604 [0,0,0,1,0,0|2,0,1]=4 641 B11R2.106 c1cc2c(cco2)c(c1)Br TS87398 [0,0,0,1,0,0|2,0,1]=4 642 B11R2.106 c1cc2c(ccs2)c(c1)Br TS88080 [0,0,0,1,0,0|2,0,1]=4 643 B11R2.106 c1cc2c(cn[nH]2)c(c1)Br TS09603 [0,0,0,1,0,0|3,0,0]=4 644 B11R2.106 c1cc2cc[nH]c2c(c1)Br TS55655 [0,0,0,1,0,0|0,0,2]=3 645 B11R2.106 c1cc2cc[nH]c2c(c1)Br TS93651 [0,0,0,1,0,0|0,0,2]=3 646 B11R2.106 c1cc2cc[nH]c2c(c1)Cl TS16506 [0,0,0,1,0,0|0,1,2]=4 647 B11R2.106 c1cc2cc[nH]c2c(c1)F TS16518 [0,0,0,1,0,0|0,1,2]=4 648 B11R2.106 c1cc2cc[nH]c2c(c1)N TS05750 [0,0,0,1,0,0|1,0,2]=4 649 B11R2.106 c1cc2cc[nH]c2c(c1)O TS55678 [0,0,0,1,0,0|1,0,2]=4 650 B11R2.106 c1cc2cn[nH]c2c(c1)Br TS16502 [0,0,0,1,0,0|1,0,1]=3 651 B11R2.106 c1cc2cn[nH]c2c(c1)Cl TS55668 [0,0,0,1,0,0|1,1,1]=4 652 B11R2.106 c1cc2cn[nH]c2c(c1)F TS16514 [0,0,0,1,0,0|1,1,1]=4 653 B11R2.106 c1cc2cn[nH]c2c(c1)I TS61940 [0,0,0,1,0,0|1,1,1]=4 654 B11R2.106 c1cc2cn[nH]c2c(c1)N TS01295 [0,0,0,1,0,0|2,0,1]=4 655 B11R2.106 c1cc2cn[nH]c2c(c1)O TS05880 [0,0,0,1,0,0|2,0,1]=4 656 B11R2.106 c1cnc(c2c1cn[nH]2)Br TS89269 [0,0,0,1,0,0|2,0,1]=4 657 B9R1.7 Cc1c[nH]c(n1)CCN TS85318 [0,0,0,0,1,0|3,0,0]=4 658 B9R1.7 Cc1nc(cs1)CCN TS37628 [0,0,0,0,1,0|3,0,0]=4 659 B9R1.7 Cn1cc(cn1)CCN TS40006 [0,0,0,0,1,0|3,0,0]=4 660 B9R1.7 c1c(csc1CCN)Br TS38925 [0,0,0,0,1,0|1,0,0]=2 661 B9R1.7 c1c(csc1Cl)CNN TS92166 [0,0,0,0,1,0|2,1,0]=4 662 B9R1.7 c1c(onc1Br)CCO TS51390 [0,0,0,0,1,0|3,0,0]=4 663 B9R1.7 c1cc(sc1CCN)Br TS26924 [0,0,0,0,1,0|1,0,0]=2 664 B9R1.7 c1cc(sc1CCN)Cl TS53962 [0,0,0,0,1,0|1,1,0]=3 665 B9R1.7 c1cc(sc1CNN)Cl TS86991 [0,0,0,0,1,0|2,1,0]=4 666 B9R1.33 Cc1c(scn1)CCN TS37631 [0,0,0,0,1,0|3,0,0]=4 667 B9R1.33 Cn1cncc1CCN TS60353 [0,0,0,0,1,0|3,0,0]=4 668 B8R0.4 CCCC=CC=CC=O TS36011 [1,0,1,0,0,0|2,0,0]=4 669 B8R1.2 C#Cc1ccccc1 TS39865 [2,0,0,0,0,0|0,0,2]=4 670 B8R1.2 C=Cc1ccccc1 TS04045 [2,0,0,0,0,0|0,0,2]=4 671 B8R1.2 CCC1=CCC=CC1 TS04142 [2,0,0,0,0,0|0,0,2]=4 672 B8R1.2 CC[n+]1ccccc1 TS40125 [2,0,0,0,0,0|1,0,0]=3 673 B8R1.2 CC[n+]1ccccc1 TS50650 [2,0,0,0,0,0|1,0,0]=3 674 B8R1.2 CCc1ccccc1 TS04102 [2,0,0,0,0,0|0,0,0]=2 675 B8R1.2 CCc1ccccn1 TS55316 [2,0,0,0,0,0|1,0,0]=3 676 B8R1.2 CCc1cccnc1 TS04113 [2,0,0,0,0,0|1,0,0]=3 677 B8R1.2 CCc1ccncc1 TS04110 [2,0,0,0,0,0|1,0,0]=3 678 B8R1.2 CCc1cnccn1 TS31774 [2,0,0,0,0,0|2,0,0]=4 679 B8R1.2 CNc1ccccc1 TS31758 [2,0,0,0,0,0|1,0,0]=3 680 B8R1.2 CNc1ccccc1 TS40129 [2,0,0,0,0,0|1,0,0]=3 681 B8R1.2 CNc1ccccn1 TS22814 [2,0,0,0,0,0|2,0,0]=4 682 B8R1.2 CNc1cccnc1 TS09432 [2,0,0,0,0,0|2,0,0]=4 683 B8R1.2 CNc1ccncc1 TS16891 [2,0,0,0,0,0|2,0,0]=4 684 B8R1.2 COc1ccccc1 TS39801 [2,0,0,0,0,0|1,0,0]=3 685 B8R1.2 COc1ccncc1 TS03163 [2,0,0,0,0,0|2,0,0]=4 686 B8R1.2 CPc1ccccc1 TS32592 [2,0,0,0,0,0|1,0,0]=3 687 B8R1.2 CSc1ccccc1 TS36022 [2,0,0,0,0,0|1,0,0]=3 688 B8R1.2 CSc1ccccn1 TS05101 [2,0,0,0,0,0|2,0,0]=4 689 B8R1.2 CSc1cccnc1 TS05108 [2,0,0,0,0,0|2,0,0]=4 690 B8R1.2 C[NH2+]c1ccccc1 TS49917 [2,0,0,0,0,0|1,0,0]=3 691 B8R1.2 C[SiH2]c1ccccc1 TS04929 [2,0,0,0,0,0|0,1,0]=3 692 B8R1.2 [C-]#[N+]c1ccccc1 TS59810 [2,0,0,0,0,0|1,0,1]=4 693 B8R1.2 c1c(cncn1)CN TS55503 [2,0,0,0,0,0|2,0,0]=4 694 B8R1.2 c1cc(cnc1)CBr TS09437 [2,0,0,0,0,0|2,0,0]=4 695 B8R1.2 c1cc(cnc1)CCl TS00113 [2,0,0,0,0,0|2,0,0]=4 696 B8R1.2 c1cc(cnc1)CCl TS02031 [2,0,0,0,0,0|2,0,0]=4 697 B8R1.2 c1cc(cnc1)CI TS49544 [2,0,0,0,0,0|2,0,0]=4 698 B8R1.2 c1cc(cnc1)CI TS64566 [2,0,0,0,0,0|2,0,0]=4 699 B8R1.2 c1cc(cnc1)CN TS02883 [2,0,0,0,0,0|1,0,0]=3 700 B8R1.2 c1cc(cnc1)CO TS92960 [2,0,0,0,0,0|2,0,0]=4 701 B8R1.2 c1cc(cnc1)CO TS93835 [2,0,0,0,0,0|2,0,0]=4 702 B8R1.2 c1cc(cnc1)NN TS87727 [2,0,0,0,0,0|2,0,0]=4 703 B8R1.2 c1cc(nnc1)CN TS90318 [2,0,0,0,0,0|2,0,0]=4 704 B8R1.2 c1ccc(cc1)C#N TS01882 [2,0,0,0,0,0|0,0,2]=4 705 B8R1.2 c1ccc(cc1)C#N TS80489 [2,0,0,0,0,0|0,0,2]=4 706 B8R1.2 c1ccc(cc1)C=O TS43757 [2,0,0,0,0,0|1,0,1]=4 707 B8R1.2 c1ccc(cc1)CCl TS36191 [2,0,0,0,0,0|1,0,0]=3 708 B8R1.2 c1ccc(cc1)CF TS31826 [2,0,0,0,0,0|1,0,0]=3 709 B8R1.2 c1ccc(cc1)CI TS09176 [2,0,0,0,0,0|1,0,0]=3 710 B8R1.2 c1ccc(cc1)CN TS01379 [2,0,0,0,0,0|0,0,0]=2 711 B8R1.2 c1ccc(cc1)CN TS40124 [2,0,0,0,0,0|0,0,0]=2 712 B8R1.2 c1ccc(cc1)CO TS31769 [2,0,0,0,0,0|1,0,0]=3 713 B8R1.2 c1ccc(cc1)CS TS36023 [2,0,0,0,0,0|1,0,0]=3 714 B8R1.2 c1ccc(cc1)I=O TS49692 [2,0,0,0,0,0|2,0,0]=4 715 B8R1.2 c1ccc(cc1)N=O TS31751 [2,0,0,0,0,0|2,0,0]=4 716 B8R1.2 c1ccc(cc1)NN TS07047 [2,0,0,0,0,0|1,0,0]=3 717 B8R1.2 c1ccc(cc1)NN TS31771 [2,0,0,0,0,0|1,0,0]=3 718 B8R1.2 c1ccc(cc1)NN TS61145 [2,0,0,0,0,0|1,0,0]=3 719 B8R1.2 c1ccc(cc1)NN TS76102 [2,0,0,0,0,0|1,0,0]=3 720 B8R1.2 c1ccc(cc1)NO TS31793 [2,0,0,0,0,0|2,0,0]=4 721 B8R1.2 c1ccc(cc1)NO TS37696 [2,0,0,0,0,0|2,0,0]=4 722 B8R1.2 c1ccc(cc1)ON TS07146 [2,0,0,0,0,0|1,0,0]=3 723 B8R1.2 c1ccc(cc1)[Hg]Cl TS76590 [2,0,0,0,0,0|2,0,0]=4 724 B8R1.2 c1ccc(cc1)[Hg]I TS69412 [2,0,0,0,0,0|2,0,0]=4 725 B8R1.2 c1ccc(cc1)[Mg]Br TS59811 [2,0,0,0,0,0|2,0,0]=4 726 B8R1.2 c1ccc(cc1)[Mg]Cl TS06150 [2,0,0,0,0,0|2,0,0]=4 727 B8R1.2 c1ccc(cc1)[Mg]I TS52700 [2,0,0,0,0,0|2,0,0]=4 728 B8R1.2 c1ccc(cc1)[N+]#N TS27981 [2,0,0,0,0,0|1,0,1]=4 729 B8R1.2 c1ccnc(c1)CBr TS47083 [2,0,0,0,0,0|2,0,0]=4 730 B8R1.2 c1ccnc(c1)CCl TS47089 [2,0,0,0,0,0|2,0,0]=4 731 B8R1.2 c1ccnc(c1)CCl TS47090 [2,0,0,0,0,0|2,0,0]=4 732 B8R1.2 c1ccnc(c1)CN TS00811 [2,0,0,0,0,0|1,0,0]=3 733 B8R1.2 c1ccnc(c1)CO TS07144 [2,0,0,0,0,0|2,0,0]=4 734 B8R1.2 c1ccnc(c1)CO TS31798 [2,0,0,0,0,0|2,0,0]=4 735 B8R1.2 c1ccnc(c1)CS TS05100 [2,0,0,0,0,0|2,0,0]=4 736 B8R1.2 c1ccnc(c1)NN TS14875 [2,0,0,0,0,0|2,0,0]=4 737 B8R1.2 c1ccnc(c1)NN TS55380 [2,0,0,0,0,0|2,0,0]=4 738 B8R1.2 c1cnc(cn1)CN TS01661 [2,0,0,0,0,0|2,0,0]=4 739 B8R1.2 c1cnc(nc1)CN TS02480 [2,0,0,0,0,0|2,0,0]=4 740 B8R1.2 c1cnccc1CBr TS39318 [2,0,0,0,0,0|2,0,0]=4 741 B8R1.2 c1cnccc1CCl TS16903 [2,0,0,0,0,0|2,0,0]=4 742 B8R1.2 c1cnccc1CN TS31773 [2,0,0,0,0,0|1,0,0]=3 743 B8R1.2 c1cnccc1CO TS07149 [2,0,0,0,0,0|2,0,0]=4 744 B8R1.2 c1cnccc1CO TS71297 [2,0,0,0,0,0|2,0,0]=4 745 B8R1.2 c1cnccc1NN TS89841 [2,0,0,0,0,0|2,0,0]=4 746 B8R1.2 c1cncnc1CN TS16892 [2,0,0,0,0,0|2,0,0]=4 747 B8R1.2 c1cncnc1CN TS85609 [2,0,0,0,0,0|2,0,0]=4 748 B8R1.2 c1cnncc1CN TS90837 [2,0,0,0,0,0|2,0,0]=4 749 B8R1.4 C[n+]1cccc(c1)Br TS74567 [2,0,0,0,0,0|1,0,0]=3 750 B8R1.4 Cc1cc(ccn1)Br TS20656 [2,0,0,0,0,0|1,0,0]=3 751 B8R1.4 Cc1cc(ccn1)Br TS85446 [2,0,0,0,0,0|1,0,0]=3 752 B8R1.4 Cc1cc(ccn1)Cl TS42660 [2,0,0,0,0,0|1,1,0]=4 753 B8R1.4 Cc1cc(ccn1)Cl TS71029 [2,0,0,0,0,0|1,1,0]=4 754 B8R1.4 Cc1cc(ccn1)F TS04247 [2,0,0,0,0,0|1,1,0]=4 755 B8R1.4 Cc1cc(ccn1)I TS22520 [2,0,0,0,0,0|1,1,0]=4 756 B8R1.4 Cc1cc(ccn1)N TS93456 [2,0,0,0,0,0|2,0,0]=4 757 B8R1.4 Cc1cc(ccn1)O TS03105 [2,0,0,0,0,0|2,0,0]=4 758 B8R1.4 Cc1cc(cnc1)Br TS65935 [2,0,0,0,0,0|1,0,0]=3 759 B8R1.4 Cc1cc(cnc1)C TS31757 [2,0,0,0,0,0|2,0,0]=4 760 B8R1.4 Cc1cc(cnc1)Cl TS66000 [2,0,0,0,0,0|1,1,0]=4 761 B8R1.4 Cc1cc(cnc1)F TS70587 [2,0,0,0,0,0|1,1,0]=4 762 B8R1.4 Cc1cc(cnc1)N TS02653 [2,0,0,0,0,0|2,0,0]=4 763 B8R1.4 Cc1cc(cnc1)O TS70616 [2,0,0,0,0,0|2,0,0]=4 764 B8R1.4 Cc1cccc(c1)Br TS39711 [2,0,0,0,0,0|0,0,0]=2 765 B8R1.4 Cc1cccc(c1)C TS04101 [2,0,0,0,0,0|1,0,0]=3 766 B8R1.4 Cc1cccc(c1)Cl TS36194 [2,0,0,0,0,0|0,1,0]=3 767 B8R1.4 Cc1cccc(c1)F TS31827 [2,0,0,0,0,0|0,1,0]=3 768 B8R1.4 Cc1cccc(c1)I TS49342 [2,0,0,0,0,0|0,1,0]=3 769 B8R1.4 Cc1cccc(c1)N TS04111 [2,0,0,0,0,0|1,0,0]=3 770 B8R1.4 Cc1cccc(c1)N TS40126 [2,0,0,0,0,0|1,0,0]=3 771 B8R1.4 Cc1cccc(c1)O TS31767 [2,0,0,0,0,0|1,0,0]=3 772 B8R1.4 Cc1cccc(c1)S TS05038 [2,0,0,0,0,0|1,0,0]=3 773 B8R1.4 Cc1cccc(n1)Br TS08371 [2,0,0,0,0,0|1,0,0]=3 774 B8R1.4 Cc1cccc(n1)Br TS94756 [2,0,0,0,0,0|1,0,0]=3 775 B8R1.4 Cc1cccc(n1)C TS60248 [2,0,0,0,0,0|2,0,0]=4 776 B8R1.4 Cc1cccc(n1)Cl TS00936 [2,0,0,0,0,0|1,1,0]=4 777 B8R1.4 Cc1cccc(n1)F TS55370 [2,0,0,0,0,0|1,1,0]=4 778 B8R1.4 Cc1cccc(n1)I TS59623 [2,0,0,0,0,0|1,1,0]=4 779 B8R1.4 Cc1cccc(n1)N TS47459 [2,0,0,0,0,0|2,0,0]=4 780 B8R1.4 Cc1cccc(n1)O TS01270 [2,0,0,0,0,0|2,0,0]=4 781 B8R1.4 Cc1cccc(n1)S TS05106 [2,0,0,0,0,0|2,0,0]=4 782 B8R1.4 Cc1cccn(=O)c1 TS02882 [2,0,0,0,0,0|2,0,0]=4 783 B8R1.4 Cc1ccnc(c1)Br TS08333 [2,0,0,0,0,0|1,0,0]=3 784 B8R1.4 Cc1ccnc(c1)C TS07700 [2,0,0,0,0,0|2,0,0]=4 785 B8R1.4 Cc1ccnc(c1)Cl TS55236 [2,0,0,0,0,0|1,1,0]=4 786 B8R1.4 Cc1ccnc(c1)F TS85429 [2,0,0,0,0,0|1,1,0]=4 787 B8R1.4 Cc1ccnc(c1)I TS33096 [2,0,0,0,0,0|1,1,0]=4 788 B8R1.4 Cc1ccnc(c1)O TS01045 [2,0,0,0,0,0|2,0,0]=4 789 B8R1.4 Cc1ccnc(n1)Br TS08334 [2,0,0,0,0,0|2,0,0]=4 790 B8R1.4 Cc1cncc(n1)Br TS08370 [2,0,0,0,0,0|2,0,0]=4 791 B8R1.4 c1c(cncc1Br)Br TS02580 [2,0,0,0,0,0|2,0,0]=4 792 B8R1.4 c1c(cncc1Br)Cl TS85436 [2,0,0,0,0,0|2,0,0]=4 793 B8R1.4 c1c(cncc1Br)F TS16987 [2,0,0,0,0,0|2,0,0]=4 794 B8R1.4 c1c(cncc1Br)N TS09813 [2,0,0,0,0,0|1,0,0]=3 795 B8R1.4 c1c(cncc1Br)O TS65929 [2,0,0,0,0,0|2,0,0]=4 796 B8R1.4 c1c(cncc1Cl)N TS02649 [2,0,0,0,0,0|1,1,0]=4 797 B8R1.4 c1c(cncc1F)N TS16742 [2,0,0,0,0,0|1,1,0]=4 798 B8R1.4 c1c(cncc1F)N TS85434 [2,0,0,0,0,0|1,1,0]=4 799 B8R1.4 c1c(cncc1I)Br TS65930 [2,0,0,0,0,0|2,0,0]=4 800 B8R1.4 c1c(cncc1I)N TS02651 [2,0,0,0,0,0|1,1,0]=4 801 B8R1.4 c1c(cncc1N)N TS02192 [2,0,0,0,0,0|2,0,0]=4 802 B8R1.4 c1c(cncc1O)N TS31814 [2,0,0,0,0,0|2,0,0]=4 803 B8R1.4 c1cc(cc(c1)Br)Br TS46796 [2,0,0,0,0,0|1,0,0]=3 804 B8R1.4 c1cc(cc(c1)Br)Cl TS00027 [2,0,0,0,0,0|1,0,0]=3 805 B8R1.4 c1cc(cc(c1)Br)F TS65943 [2,0,0,0,0,0|1,0,0]=3 806 B8R1.4 c1cc(cc(c1)Br)N TS60009 [2,0,0,0,0,0|0,0,0]=2 807 B8R1.4 c1cc(cc(c1)Br)O TS65958 [2,0,0,0,0,0|1,0,0]=3 808 B8R1.4 c1cc(cc(c1)Br)S TS09503 [2,0,0,0,0,0|1,0,0]=3 809 B8R1.4 c1cc(cc(c1)Cl)Cl TS59887 [2,0,0,0,0,0|1,1,0]=4 810 B8R1.4 c1cc(cc(c1)Cl)F TS08691 [2,0,0,0,0,0|1,1,0]=4 811 B8R1.4 c1cc(cc(c1)Cl)N TS02027 [2,0,0,0,0,0|0,1,0]=3 812 B8R1.4 c1cc(cc(c1)Cl)N TS42658 [2,0,0,0,0,0|0,1,0]=3 813 B8R1.4 c1cc(cc(c1)Cl)O TS02721 [2,0,0,0,0,0|1,1,0]=4 814 B8R1.4 c1cc(cc(c1)Cl)S TS07051 [2,0,0,0,0,0|1,1,0]=4 815 B8R1.4 c1cc(cc(c1)F)F TS07881 [2,0,0,0,0,0|1,1,0]=4 816 B8R1.4 c1cc(cc(c1)F)N TS07389 [2,0,0,0,0,0|0,1,0]=3 817 B8R1.4 c1cc(cc(c1)F)N TS70590 [2,0,0,0,0,0|0,1,0]=3 818 B8R1.4 c1cc(cc(c1)F)O TS70601 [2,0,0,0,0,0|1,1,0]=4 819 B8R1.4 c1cc(cc(c1)I)Br TS46926 [2,0,0,0,0,0|1,0,0]=3 820 B8R1.4 c1cc(cc(c1)I)Cl TS26262 [2,0,0,0,0,0|1,1,0]=4 821 B8R1.4 c1cc(cc(c1)I)F TS70597 [2,0,0,0,0,0|1,1,0]=4 822 B8R1.4 c1cc(cc(c1)I)I TS65281 [2,0,0,0,0,0|1,1,0]=4 823 B8R1.4 c1cc(cc(c1)I)N TS39444 [2,0,0,0,0,0|0,1,0]=3 824 B8R1.4 c1cc(cc(c1)I)O TS49693 [2,0,0,0,0,0|1,1,0]=4 825 B8R1.4 c1cc(cc(c1)N)N TS31777 [2,0,0,0,0,0|1,0,0]=3 826 B8R1.4 c1cc(cc(c1)N)N TS38980 [2,0,0,0,0,0|1,0,0]=3 827 B8R1.4 c1cc(cc(c1)N)N TS48030 [2,0,0,0,0,0|1,0,0]=3 828 B8R1.4 c1cc(cc(c1)O)N TS07147 [2,0,0,0,0,0|1,0,0]=3 829 B8R1.4 c1cc(cc(c1)O)N TS39704 [2,0,0,0,0,0|1,0,0]=3 830 B8R1.4 c1cc(cc(c1)O)O TS04191 [2,0,0,0,0,0|2,0,0]=4 831 B8R1.4 c1cc(cc(c1)S)F TS02772 [2,0,0,0,0,0|1,1,0]=4 832 B8R1.4 c1cc(cc(c1)S)N TS05107 [2,0,0,0,0,0|1,0,0]=3 833 B8R1.4 c1cc(cc(c1)S)O TS00159 [2,0,0,0,0,0|2,0,0]=4 834 B8R1.4 c1cc(cc(c1)S)S TS06771 [2,0,0,0,0,0|2,0,0]=4 835 B8R1.4 c1cc(cc(c1)[Zn+])Cl TS59236 [2,0,0,0,0,0|1,1,0]=4 836 B8R1.4 c1cc(cn(=O)c1)Br TS45713 [2,0,0,0,0,0|2,0,0]=4 837 B8R1.4 c1cc(nc(c1)Br)Br TS00699 [2,0,0,0,0,0|2,0,0]=4 838 B8R1.4 c1cc(nc(c1)Br)Cl TS55142 [2,0,0,0,0,0|2,0,0]=4 839 B8R1.4 c1cc(nc(c1)Br)F TS08361 [2,0,0,0,0,0|2,0,0]=4 840 B8R1.4 c1cc(nc(c1)Br)N TS00798 [2,0,0,0,0,0|1,0,0]=3 841 B8R1.4 c1cc(nc(c1)Br)O TS08364 [2,0,0,0,0,0|2,0,0]=4 842 B8R1.4 c1cc(nc(c1)Cl)N TS00804 [2,0,0,0,0,0|1,1,0]=4 843 B8R1.4 c1cc(nc(c1)F)N TS00806 [2,0,0,0,0,0|1,1,0]=4 844 B8R1.4 c1cc(nc(c1)I)Br TS54680 [2,0,0,0,0,0|2,0,0]=4 845 B8R1.4 c1cc(nc(c1)I)N TS39789 [2,0,0,0,0,0|1,1,0]=4 846 B8R1.4 c1cc(nc(c1)N)N TS00686 [2,0,0,0,0,0|2,0,0]=4 847 B8R1.4 c1cc(nc(c1)N)N TS20354 [2,0,0,0,0,0|2,0,0]=4 848 B8R1.4 c1cc(nc(c1)O)N TS00808 [2,0,0,0,0,0|2,0,0]=4 849 B8R1.4 c1cnc(cc1Br)Br TS47198 [2,0,0,0,0,0|2,0,0]=4 850 B8R1.4 c1cnc(cc1Br)Cl TS85435 [2,0,0,0,0,0|2,0,0]=4 851 B8R1.4 c1cnc(cc1Br)F TS16945 [2,0,0,0,0,0|2,0,0]=4 852 B8R1.4 c1cnc(cc1Br)I TS54678 [2,0,0,0,0,0|2,0,0]=4 853 B8R1.4 c1cnc(cc1Br)N TS47392 [2,0,0,0,0,0|1,0,0]=3 854 B8R1.4 c1cnc(cc1Br)O TS70957 [2,0,0,0,0,0|2,0,0]=4 855 B8R1.4 c1cnc(cc1Cl)Br TS55100 [2,0,0,0,0,0|2,0,0]=4 856 B8R1.4 c1cnc(cc1Cl)N TS00747 [2,0,0,0,0,0|1,1,0]=4 857 B8R1.4 c1cnc(cc1F)Br TS08322 [2,0,0,0,0,0|2,0,0]=4 858 B8R1.4 c1cnc(cc1F)N TS00754 [2,0,0,0,0,0|1,1,0]=4 859 B8R1.4 c1cnc(cc1I)Br TS08326 [2,0,0,0,0,0|2,0,0]=4 860 B8R1.4 c1cnc(cc1I)N TS49694 [2,0,0,0,0,0|1,1,0]=4 861 B8R1.4 c1cnc(cc1N)Br TS70872 [2,0,0,0,0,0|1,0,0]=3 862 B8R1.4 c1cnc(cc1N)Cl TS75450 [2,0,0,0,0,0|1,1,0]=4 863 B8R1.4 c1cnc(cc1N)Cl TS89130 [2,0,0,0,0,0|1,1,0]=4 864 B8R1.4 c1cnc(cc1N)F TS01037 [2,0,0,0,0,0|1,1,0]=4 865 B8R1.4 c1cnc(cc1N)N TS59371 [2,0,0,0,0,0|2,0,0]=4 866 B8R1.4 c1cnc(cc1N)O TS02965 [2,0,0,0,0,0|2,0,0]=4 867 B8R1.4 c1cnc(cc1N)O TS86931 [2,0,0,0,0,0|2,0,0]=4 868 B8R1.4 c1cnc(cc1O)Br TS08324 [2,0,0,0,0,0|2,0,0]=4 869 B8R1.4 c1cnc(cc1O)N TS47399 [2,0,0,0,0,0|2,0,0]=4 870 B8R1.4 c1cnc(nc1Br)N TS86309 [2,0,0,0,0,0|2,0,0]=4 871 B10R1.2 CCc1c(c(=O)cco1)O TS37337 [1,1,0,0,0,0|2,0,0]=4 872 B10R1.2 CCc1cccc(c1C)C TS36862 [1,1,0,0,0,0|1,0,0]=3 873 B10R1.2 CCc1cccc(c1O)C TS06085 [1,1,0,0,0,0|1,0,0]=3 874 B10R1.2 COc1cccc(c1Br)F TS08297 [1,1,0,0,0,0|1,1,0]=4 875 B10R1.2 COc1cccc(c1Br)N TS39650 [1,1,0,0,0,0|2,0,0]=4 876 B10R1.2 COc1cccc(c1Br)O TS38374 [1,1,0,0,0,0|2,0,0]=4 877 B10R1.2 COc1cccc(c1Cl)Cl TS85190 [1,1,0,0,0,0|1,1,0]=4 878 B10R1.2 COc1cccc(c1Cl)N TS55195 [1,1,0,0,0,0|2,0,0]=4 879 B10R1.2 COc1cccc(c1F)Br TS65479 [1,1,0,0,0,0|1,0,0]=3 880 B10R1.2 COc1cccc(c1F)Cl TS42232 [1,1,0,0,0,0|1,1,0]=4 881 B10R1.2 COc1cccc(c1F)F TS02338 [1,1,0,0,0,0|1,1,0]=4 882 B10R1.2 COc1cccc(c1F)O TS37550 [1,1,0,0,0,0|2,0,0]=4 883 B10R1.2 COc1cccc(c1I)F TS09365 [1,1,0,0,0,0|1,1,0]=4 884 B10R1.2 COc1cccc(c1N)F TS55365 [1,1,0,0,0,0|1,1,0]=4 885 B10R1.2 COc1cccc(c1O)Br TS87716 [1,1,0,0,0,0|1,0,0]=3 886 B10R1.2 COc1cccc(c1O)F TS65426 [1,1,0,0,0,0|1,1,0]=4 887 B10R1.2 COc1cccc(c1O)O TS60018 [1,1,0,0,0,0|2,0,0]=4 888 B10R1.2 Cc1c(cccc1Cl)OC TS09315 [1,1,0,0,0,0|1,1,0]=4 889 B10R1.2 Cc1c(cccc1Cl)SC TS13276 [1,1,0,0,0,0|1,1,0]=4 890 B10R1.2 Cc1c(cccc1F)CO TS09370 [1,1,0,0,0,0|1,1,0]=4 891 B10R1.2 Cc1c(cccc1N)CO TS37119 [1,1,0,0,0,0|2,0,0]=4 892 B10R1.2 Cc1c(cccc1OC)N TS70644 [1,1,0,0,0,0|2,0,0]=4 893 B10R1.2 Cc1cccc(c1C)CBr TS46745 [1,1,0,0,0,0|2,0,0]=4 894 B10R1.2 Cc1cccc(c1C)CCl TS41469 [1,1,0,0,0,0|2,0,0]=4 895 B10R1.2 Cc1cccc(c1C)CN TS36950 [1,1,0,0,0,0|1,0,0]=3 896 B10R1.2 Cc1cccc(c1C)CO TS37020 [1,1,0,0,0,0|2,0,0]=4 897 B10R1.2 Cc1cccc(c1C)NN TS13271 [1,1,0,0,0,0|2,0,0]=4 898 B10R1.2 Cc1cccc(c1C)NN TS51214 [1,1,0,0,0,0|2,0,0]=4 899 B10R1.2 Cc1cccc(c1C)OC TS02345 [1,1,0,0,0,0|2,0,0]=4 900 B10R1.2 Cc1cccc(c1F)CBr TS09289 [1,1,0,0,0,0|2,0,0]=4 901 B10R1.2 Cc1cccc(c1N)OC TS01100 [1,1,0,0,0,0|2,0,0]=4 902 B10R1.2 Cc1cccc(c1O)OC TS55384 [1,1,0,0,0,0|2,0,0]=4 903 B10R1.2 Cn1cccc(c1=O)CN TS89038 [1,1,0,0,0,0|2,0,0]=4 904 B10R1.2 c1cc(c(c(c1)Br)Br)C=O TS29979 [1,1,0,0,0,0|1,0,1]=4 905 B10R1.2 c1cc(c(c(c1)Br)F)C#N TS01366 [1,1,0,0,0,0|0,0,2]=4 906 B10R1.2 c1cc(c(c(c1)Br)O)C#N TS86717 [1,1,0,0,0,0|0,0,2]=4 907 B10R1.2 c1cc(c(c(c1)Br)O)C=O TS65902 [1,1,0,0,0,0|1,0,1]=4 908 B10R1.2 c1cc(c(c(c1)Cl)Cl)CBr TS07691 [1,1,0,0,0,0|1,1,0]=4 909 B10R1.2 c1cc(c(c(c1)Cl)Cl)CCl TS52077 [1,1,0,0,0,0|1,1,0]=4 910 B10R1.2 c1cc(c(c(c1)Cl)Cl)CN TS47151 [1,1,0,0,0,0|0,1,0]=3 911 B10R1.2 c1cc(c(c(c1)Cl)Cl)CO TS02329 [1,1,0,0,0,0|1,1,0]=4 912 B10R1.2 c1cc(c(c(c1)Cl)Cl)NN TS21555 [1,1,0,0,0,0|1,1,0]=4 913 B10R1.2 c1cc(c(c(c1)Cl)F)CBr TS16732 [1,1,0,0,0,0|1,1,0]=4 914 B10R1.2 c1cc(c(c(c1)Cl)F)CN TS11185 [1,1,0,0,0,0|0,1,0]=3 915 B10R1.2 c1cc(c(c(c1)Cl)F)CO TS42233 [1,1,0,0,0,0|1,1,0]=4 916 B10R1.2 c1cc(c(c(c1)Cl)F)NN TS65488 [1,1,0,0,0,0|1,1,0]=4 917 B10R1.2 c1cc(c(c(c1)F)Cl)CBr TS08826 [1,1,0,0,0,0|1,1,0]=4 918 B10R1.2 c1cc(c(c(c1)F)F)CBr TS08794 [1,1,0,0,0,0|1,1,0]=4 919 B10R1.2 c1cc(c(c(c1)F)F)CCl TS02340 [1,1,0,0,0,0|1,1,0]=4 920 B10R1.2 c1cc(c(c(c1)F)F)CN TS00557 [1,1,0,0,0,0|0,1,0]=3 921 B10R1.2 c1cc(c(c(c1)F)F)CO TS02339 [1,1,0,0,0,0|1,1,0]=4 922 B10R1.2 c1cc(c(c(c1)O)O)CN TS37279 [1,1,0,0,0,0|1,0,0]=3 923 B10R1.8 CCc1cc(cc(c1)C)C TS36869 [1,1,0,0,0,0|1,0,0]=3 924 B10R1.8 CCc1cc(cc(c1)F)F TS32871 [1,1,0,0,0,0|0,1,0]=3 925 B10R1.8 CCc1cc(cc(c1)O)C TS06074 [1,1,0,0,0,0|1,0,0]=3 926 B10R1.8 COc1cc(cc(c1)Br)Br TS59595 [1,1,0,0,0,0|1,0,0]=3 927 B10R1.8 COc1cc(cc(c1)Br)F TS65926 [1,1,0,0,0,0|1,0,0]=3 928 B10R1.8 COc1cc(cc(c1)Cl)Cl TS59597 [1,1,0,0,0,0|1,1,0]=4 929 B10R1.8 COc1cc(cc(c1)Cl)F TS39999 [1,1,0,0,0,0|1,1,0]=4 930 B10R1.8 COc1cc(cc(c1)Cl)O TS32936 [1,1,0,0,0,0|1,1,0]=4 931 B10R1.8 COc1cc(cc(c1)F)F TS65798 [1,1,0,0,0,0|1,1,0]=4 932 B10R1.8 COc1cc(cc(c1)O)O TS55472 [1,1,0,0,0,0|2,0,0]=4 933 B10R1.8 CSc1cc(cc(c1)Cl)Cl TS51590 [1,1,0,0,0,0|1,1,0]=4 934 B10R1.8 Cc1cc(cc(c1)Br)OC TS46928 [1,1,0,0,0,0|1,0,0]=3 935 B10R1.8 Cc1cc(cc(c1)CBr)C TS65814 [1,1,0,0,0,0|2,0,0]=4 936 B10R1.8 Cc1cc(cc(c1)CCl)C TS41467 [1,1,0,0,0,0|2,0,0]=4 937 B10R1.8 Cc1cc(cc(c1)CN)C TS65813 [1,1,0,0,0,0|1,0,0]=3 938 B10R1.8 Cc1cc(cc(c1)CO)C TS06084 [1,1,0,0,0,0|2,0,0]=4 939 B10R1.8 Cc1cc(cc(c1)Cl)OC TS41723 [1,1,0,0,0,0|1,1,0]=4 940 B10R1.8 Cc1cc(cc(c1)NN)C TS32788 [1,1,0,0,0,0|2,0,0]=4 941 B10R1.8 Cc1cc(cc(c1)OC)C TS06080 [1,1,0,0,0,0|2,0,0]=4 942 B10R1.8 Cc1cc(cc(c1)OC)O TS06245 [1,1,0,0,0,0|2,0,0]=4 943 B10R1.8 c1c(cc(cc1Br)Br)C#N TS16719 [1,1,0,0,0,0|0,0,2]=4 944 B10R1.8 c1c(cc(cc1Br)Br)C=O TS02574 [1,1,0,0,0,0|1,0,1]=4 945 B10R1.8 c1c(cc(cc1Br)Br)CBr TS63568 [1,1,0,0,0,0|1,0,0]=3 946 B10R1.8 c1c(cc(cc1Br)Br)CN TS59077 [1,1,0,0,0,0|0,0,0]=2 947 B10R1.8 c1c(cc(cc1Br)Br)CO TS02351 [1,1,0,0,0,0|1,0,0]=3 948 B10R1.8 c1c(cc(cc1Br)I)C=O TS76458 [1,1,0,0,0,0|1,0,1]=4 949 B10R1.8 c1c(cc(cc1Cl)Br)C#N TS49171 [1,1,0,0,0,0|0,0,2]=4 950 B10R1.8 c1c(cc(cc1Cl)Br)C=O TS49660 [1,1,0,0,0,0|1,0,1]=4 951 B10R1.8 c1c(cc(cc1Cl)Cl)CN TS46043 [1,1,0,0,0,0|0,1,0]=3 952 B10R1.8 c1c(cc(cc1Cl)Cl)CO TS65787 [1,1,0,0,0,0|1,1,0]=4 953 B10R1.8 c1c(cc(cc1Cl)Cl)NN TS08851 [1,1,0,0,0,0|1,1,0]=4 954 B10R1.8 c1c(cc(cc1Cl)Cl)NN TS65790 [1,1,0,0,0,0|1,1,0]=4 955 B10R1.8 c1c(cc(cc1F)Br)C#N TS09335 [1,1,0,0,0,0|0,0,2]=4 956 B10R1.8 c1c(cc(cc1F)Br)C=O TS65927 [1,1,0,0,0,0|1,0,1]=4 957 B10R1.8 c1c(cc(cc1F)Br)CBr TS09337 [1,1,0,0,0,0|1,0,0]=3 958 B10R1.8 c1c(cc(cc1F)Br)CN TS19669 [1,1,0,0,0,0|0,0,0]=2 959 B10R1.8 c1c(cc(cc1F)Br)CO TS09336 [1,1,0,0,0,0|1,0,0]=3 960 B10R1.8 c1c(cc(cc1F)Cl)CBr TS09355 [1,1,0,0,0,0|1,1,0]=4 961 B10R1.8 c1c(cc(cc1F)Cl)CO TS09354 [1,1,0,0,0,0|1,1,0]=4 962 B10R1.8 c1c(cc(cc1F)F)CBr TS02584 [1,1,0,0,0,0|1,1,0]=4 963 B10R1.8 c1c(cc(cc1F)F)CCl TS42526 [1,1,0,0,0,0|1,1,0]=4 964 B10R1.8 c1c(cc(cc1F)F)CN TS40064 [1,1,0,0,0,0|0,1,0]=3 965 B10R1.8 c1c(cc(cc1F)F)CO TS02583 [1,1,0,0,0,0|1,1,0]=4 966 B10R1.8 c1c(cc(cc1F)F)C[Zn+] TS33418 [1,1,0,0,0,0|1,1,0]=4 967 B10R1.8 c1c(cc(cc1F)F)NN TS02363 [1,1,0,0,0,0|1,1,0]=4 968 B10R1.8 c1c(cc(cc1F)F)NN TS16723 [1,1,0,0,0,0|1,1,0]=4 969 B10R1.8 c1c(cc(cc1N)N)CO TS43950 [1,1,0,0,0,0|2,0,0]=4 970 B10R1.8 c1c(cc(cc1O)Cl)CO TS11085 [1,1,0,0,0,0|1,1,0]=4 971 B10R1.8 c1c(cc(cc1O)O)CO TS71319 [1,1,0,0,0,0|2,0,0]=4 972 B10R1.8 c1c(cc(nc1Br)Br)CO TS90409 [1,1,0,0,0,0|2,0,0]=4 973 B10R1.8 c1c(cc(nc1Cl)Cl)CN TS13972 [1,1,0,0,0,0|1,1,0]=4 974 B10R1.30 CCc1c(ccc(n1)C)O TS55310 [1,1,0,0,0,0|2,0,0]=4 975 B10R1.30 CCc1cc(ccc1C)C TS05930 [1,1,0,0,0,0|1,0,0]=3 976 B10R1.30 CCc1cc(ccc1Cl)O TS41712 [1,1,0,0,0,0|1,0,0]=3 977 B10R1.30 CCc1cc(ccc1I)Br TS76460 [1,1,0,0,0,0|0,0,0]=2 978 B10R1.30 CCc1cc(ccc1N)Br TS25964 [1,1,0,0,0,0|0,0,0]=2 979 B10R1.30 CCc1cc(ccc1N)Br TS37843 [1,1,0,0,0,0|0,0,0]=2 980 B10R1.30 CCc1cc(ccc1N)I TS27559 [1,1,0,0,0,0|0,1,0]=3 981 B10R1.30 CCc1cc(ccc1O)F TS37365 [1,1,0,0,0,0|0,1,0]=3 982 B10R1.30 CCc1cc(ccc1O)O TS06259 [1,1,0,0,0,0|1,0,0]=3 983 B10R1.30 CNc1cc(cnc1Cl)Br TS08912 [1,1,0,0,0,0|2,0,0]=4 984 B10R1.30 COC1=CC(=O)C=CC1=O TS06228 [1,1,0,0,0,0|2,0,0]=4 985 B10R1.30 COc1cc(ccc1Br)Cl TS08813 [1,1,0,0,0,0|1,1,0]=4 986 B10R1.30 COc1cc(ccc1Br)F TS65379 [1,1,0,0,0,0|1,1,0]=4 987 B10R1.30 COc1cc(ccc1Br)I TS01774 [1,1,0,0,0,0|1,1,0]=4 988 B10R1.30 COc1cc(ccc1Br)N TS00018 [1,1,0,0,0,0|2,0,0]=4 989 B10R1.30 COc1cc(ccc1Br)O TS00019 [1,1,0,0,0,0|2,0,0]=4 990 B10R1.30 COc1cc(ccc1Cl)Br TS39527 [1,1,0,0,0,0|1,0,0]=3 991 B10R1.30 COc1cc(ccc1Cl)Cl TS13962 [1,1,0,0,0,0|1,1,0]=4 992 B10R1.30 COc1cc(ccc1Cl)F TS09281 [1,1,0,0,0,0|1,1,0]=4 993 B10R1.30 COc1cc(ccc1Cl)N TS10907 [1,1,0,0,0,0|2,0,0]=4 994 B10R1.30 COc1cc(ccc1F)Br TS19895 [1,1,0,0,0,0|1,0,0]=3 995 B10R1.30 COc1cc(ccc1F)F TS65344 [1,1,0,0,0,0|1,1,0]=4 996 B10R1.30 COc1cc(ccc1N)Br TS70959 [1,1,0,0,0,0|1,0,0]=3 997 B10R1.30 COc1cc(ccc1N)F TS93806 [1,1,0,0,0,0|1,1,0]=4 998 B10R1.30 COc1cc(ccc1N)N TS56779 [1,1,0,0,0,0|2,0,0]=4 999 B10R1.30 COc1cc(ccc1O)Br TS29434 [1,1,0,0,0,0|1,0,0]=3 1000 B10R1.30 COc1cc(ccc1O)Cl TS11084 [1,1,0,0,0,0|1,1,0]=4 1001 B10R1.30 COc1cc(ccc1O)F TS37549 [1,1,0,0,0,0|1,1,0]=4 1002 B10R1.30 COc1cc(ccc1O)O TS37335 [1,1,0,0,0,0|2,0,0]=4 1003 B10R1.30 COc1cc(cnc1N)Br TS38378 [1,1,0,0,0,0|2,0,0]=4 1004 B10R1.30 Cc1c(cc(cn1)Br)OC TS19314 [1,1,0,0,0,0|2,0,0]=4 1005 B10R1.30 Cc1ccc(c(c1)CBr)C TS18767 [1,1,0,0,0,0|2,0,0]=4 1006 B10R1.30 Cc1ccc(c(c1)CCl)C TS41473 [1,1,0,0,0,0|2,0,0]=4 1007 B10R1.30 Cc1ccc(c(c1)CN)C TS36943 [1,1,0,0,0,0|1,0,0]=3 1008 B10R1.30 Cc1ccc(c(c1)CO)C TS06089 [1,1,0,0,0,0|2,0,0]=4 1009 B10R1.30 Cc1ccc(c(c1)NN)C TS47277 [1,1,0,0,0,0|2,0,0]=4 1010 B10R1.30 Cc1ccc(c(c1)OC)Br TS38050 [1,1,0,0,0,0|2,0,0]=4 1011 B10R1.30 Cc1ccc(c(c1)OC)C TS37019 [1,1,0,0,0,0|2,0,0]=4 1012 B10R1.30 Cc1ccc(c(c1)OC)F TS06454 [1,1,0,0,0,0|2,0,0]=4 1013 B10R1.30 Cc1ccc(c(c1)OC)O TS03117 [1,1,0,0,0,0|2,0,0]=4 1014 B10R1.30 Cc1ccc(cc1C#N)Br TS09796 [1,1,0,0,0,0|0,0,2]=4 1015 B10R1.30 Cc1ccc(cc1C=O)Br TS09794 [1,1,0,0,0,0|1,0,1]=4 1016 B10R1.30 Cc1ccc(cc1CBr)F TS07836 [1,1,0,0,0,0|1,1,0]=4 1017 B10R1.30 Cc1ccc(cc1CCl)F TS07837 [1,1,0,0,0,0|1,1,0]=4 1018 B10R1.30 Cc1ccc(cc1CN)F TS37290 [1,1,0,0,0,0|0,1,0]=3 1019 B10R1.30 Cc1ccc(cc1CO)F TS37367 [1,1,0,0,0,0|1,1,0]=4 1020 B10R1.30 Cc1ccc(cc1NN)Br TS56990 [1,1,0,0,0,0|1,0,0]=3 1021 B10R1.30 Cc1ccc(cc1NN)F TS03301 [1,1,0,0,0,0|1,1,0]=4 1022 B10R1.30 Cc1ccc(cc1OC)Cl TS41720 [1,1,0,0,0,0|1,1,0]=4 1023 B10R1.30 Cc1ccc(cc1OC)F TS06455 [1,1,0,0,0,0|1,1,0]=4 1024 B10R1.30 Cc1ccc(cc1OC)N TS59695 [1,1,0,0,0,0|2,0,0]=4 1025 B10R1.30 c1c(cnc(c1CN)F)Br TS87183 [1,1,0,0,0,0|1,0,0]=3 1026 B10R1.30 c1c(cnc(c1CO)Cl)Br TS23561 [1,1,0,0,0,0|2,0,0]=4 1027 B10R1.30 c1c(cnc(c1CO)F)Br TS91718 [1,1,0,0,0,0|2,0,0]=4 1028 B10R1.30 c1c(cnc(c1CO)N)Br TS00767 [1,1,0,0,0,0|2,0,0]=4 1029 B10R1.30 c1cc(c(cc1Br)C#N)Cl TS16983 [1,1,0,0,0,0|0,0,2]=4 1030 B10R1.30 c1cc(c(cc1Br)C#N)F TS71421 [1,1,0,0,0,0|0,0,2]=4 1031 B10R1.30 c1cc(c(cc1Br)C#N)I TS39532 [1,1,0,0,0,0|0,0,2]=4 1032 B10R1.30 c1cc(c(cc1Br)C#N)N TS47427 [1,1,0,0,0,0|0,0,2]=4 1033 B10R1.30 c1cc(c(cc1Br)C#N)O TS71431 [1,1,0,0,0,0|0,0,2]=4 1034 B10R1.30 c1cc(c(cc1Br)C=O)Br TS47247 [1,1,0,0,0,0|1,0,1]=4 1035 B10R1.30 c1cc(c(cc1Br)C=O)Cl TS16982 [1,1,0,0,0,0|1,0,1]=4 1036 B10R1.30 c1cc(c(cc1Br)C=O)F TS71419 [1,1,0,0,0,0|1,0,1]=4 1037 B10R1.30 c1cc(c(cc1Br)C=O)I TS09783 [1,1,0,0,0,0|1,0,1]=4 1038 B10R1.30 c1cc(c(cc1Br)C=O)O TS09820 [1,1,0,0,0,0|1,0,1]=4 1039 B10R1.30 c1cc(c(cc1Br)CBr)F TS30472 [1,1,0,0,0,0|1,0,0]=3 1040 B10R1.30 c1cc(c(cc1Br)CN)F TS26595 [1,1,0,0,0,0|0,0,0]=2 1041 B10R1.30 c1cc(c(cc1Br)CO)Cl TS39528 [1,1,0,0,0,0|1,0,0]=3 1042 B10R1.30 c1cc(c(cc1Br)CO)F TS16783 [1,1,0,0,0,0|1,0,0]=3 1043 B10R1.30 c1cc(c(cc1Br)CO)O TS71432 [1,1,0,0,0,0|1,0,0]=3 1044 B10R1.30 c1cc(c(cc1Cl)CBr)Cl TS26440 [1,1,0,0,0,0|1,1,0]=4 1045 B10R1.30 c1cc(c(cc1Cl)CBr)F TS09843 [1,1,0,0,0,0|1,1,0]=4 1046 B10R1.30 c1cc(c(cc1Cl)CCl)Cl TS52072 [1,1,0,0,0,0|1,1,0]=4 1047 B10R1.30 c1cc(c(cc1Cl)CN)Cl TS46041 [1,1,0,0,0,0|0,1,0]=3 1048 B10R1.30 c1cc(c(cc1Cl)CN)F TS09842 [1,1,0,0,0,0|0,1,0]=3 1049 B10R1.30 c1cc(c(cc1Cl)CN)N TS41734 [1,1,0,0,0,0|0,1,0]=3 1050 B10R1.30 c1cc(c(cc1Cl)CN)O TS08940 [1,1,0,0,0,0|0,1,0]=3 1051 B10R1.30 c1cc(c(cc1Cl)CO)Cl TS13961 [1,1,0,0,0,0|1,1,0]=4 1052 B10R1.30 c1cc(c(cc1Cl)CO)F TS42239 [1,1,0,0,0,0|1,1,0]=4 1053 B10R1.30 c1cc(c(cc1Cl)CO)O TS11082 [1,1,0,0,0,0|1,1,0]=4 1054 B10R1.30 c1cc(c(cc1Cl)NN)Cl TS21554 [1,1,0,0,0,0|1,1,0]=4 1055 B10R1.30 c1cc(c(cc1Cl)NN)F TS07822 [1,1,0,0,0,0|1,1,0]=4 1056 B10R1.30 c1cc(c(cc1F)CBr)Br TS65380 [1,1,0,0,0,0|1,1,0]=4 1057 B10R1.30 c1cc(c(cc1F)CBr)Cl TS50367 [1,1,0,0,0,0|1,1,0]=4 1058 B10R1.30 c1cc(c(cc1F)CCl)Br TS65381 [1,1,0,0,0,0|1,1,0]=4 1059 B10R1.30 c1cc(c(cc1F)CN)Br TS65382 [1,1,0,0,0,0|0,1,0]=3 1060 B10R1.30 c1cc(c(cc1F)CN)Cl TS09283 [1,1,0,0,0,0|0,1,0]=3 1061 B10R1.30 c1cc(c(cc1F)CN)F TS65347 [1,1,0,0,0,0|0,1,0]=3 1062 B10R1.30 c1cc(c(cc1F)CN)N TS37378 [1,1,0,0,0,0|0,1,0]=3 1063 B10R1.30 c1cc(c(cc1F)CO)Br TS65410 [1,1,0,0,0,0|1,1,0]=4 1064 B10R1.30 c1cc(c(cc1F)CO)Cl TS60277 [1,1,0,0,0,0|1,1,0]=4 1065 B10R1.30 c1cc(c(cc1F)CO)F TS65346 [1,1,0,0,0,0|1,1,0]=4 1066 B10R1.30 c1cc(c(cc1F)CO)N TS06576 [1,1,0,0,0,0|1,1,0]=4 1067 B10R1.30 c1cc(c(cc1F)C[Zn+])F TS33416 [1,1,0,0,0,0|1,1,0]=4 1068 B10R1.30 c1cc(c(cc1N)CN)F TS37377 [1,1,0,0,0,0|1,0,0]=3 1069 B10R1.30 c1cc(c(cc1N)CN)O TS43947 [1,1,0,0,0,0|1,0,0]=3 1070 B10R1.113 B(c1cccc(c1)Br)(O)O TS65961 [1,1,0,0,0,0|2,0,0]=4 1071 B10R1.113 CC(=O)c1cc(cnc1)Br TS08180 [1,1,0,0,0,0|1,0,1]=4 1072 B10R1.113 CC(=O)c1cccc(c1)Br TS09476 [1,1,0,0,0,0|0,0,1]=3 1073 B10R1.113 CC(=O)c1cccc(c1)Cl TS41457 [1,1,0,0,0,0|0,1,1]=4 1074 B10R1.113 CC(=O)c1cccc(c1)F TS39433 [1,1,0,0,0,0|0,1,1]=4 1075 B10R1.113 CC(=O)c1cccc(c1)I TS02811 [1,1,0,0,0,0|0,1,1]=4 1076 B10R1.113 CC(=O)c1cccc(c1)N TS36932 [1,1,0,0,0,0|1,0,1]=4 1077 B10R1.113 CC(=O)c1cccc(c1)O TS70618 [1,1,0,0,0,0|1,0,1]=4 1078 B10R1.113 CC(=O)c1cccc(n1)Br TS08250 [1,1,0,0,0,0|1,0,1]=4 1079 B10R1.113 CC(C)c1cccc(c1)Br TS54165 [1,1,0,0,0,0|0,0,0]=2 1080 B10R1.113 CC(C)c1cccc(c1)N TS36962 [1,1,0,0,0,0|1,0,0]=3 1081 B10R1.113 CC(C)c1cccc(c1)O TS06076 [1,1,0,0,0,0|1,0,0]=3 1082 B10R1.113 CC(C)c1cccc(n1)Cl TS55266 [1,1,0,0,0,0|1,1,0]=4 1083 B10R1.113 CC(C)c1cccc(n1)N TS01246 [1,1,0,0,0,0|2,0,0]=4 1084 B10R1.113 CC(c1cccc(c1)Br)N TS37847 [1,1,0,0,0,0|0,0,0]=2 1085 B10R1.113 CC(c1cccc(c1)Br)O TS38052 [1,1,0,0,0,0|0,0,0]=2 1086 B10R1.113 CC(c1cccc(c1)Cl)O TS41713 [1,1,0,0,0,0|0,1,0]=3 1087 B10R1.113 CC(c1cccc(c1)F)N TS37298 [1,1,0,0,0,0|0,1,0]=3 1088 B10R1.113 CC(c1cccc(c1)F)O TS37373 [1,1,0,0,0,0|0,1,0]=3 1089 B10R1.113 CC(c1cccc(c1)N)N TS37034 [1,1,0,0,0,0|1,0,0]=3 1090 B10R1.113 CC(c1cccc(c1)N)O TS37125 [1,1,0,0,0,0|1,0,0]=3 1091 B10R1.113 CN(C)c1cccc(c1)Br TS37848 [1,1,0,0,0,0|1,0,0]=3 1092 B10R1.113 CN(C)c1cccc(c1)Cl TS10632 [1,1,0,0,0,0|1,1,0]=4 1093 B10R1.113 CN(C)c1cccc(c1)N TS20698 [1,1,0,0,0,0|2,0,0]=4 1094 B10R1.113 CN(C)c1cccc(c1)O TS06190 [1,1,0,0,0,0|2,0,0]=4 1095 B10R1.113 CN(C)c1cccc(c1)S TS10347 [1,1,0,0,0,0|2,0,0]=4 1096 B10R1.113 C[C@@H](c1cccc(c1)Br)O TS38053 [1,1,0,0,0,0|0,0,0]=2 1097 B10R1.113 C[C@@H](c1cccc(c1)Cl)N TS08102 [1,1,0,0,0,0|0,1,0]=3 1098 B10R1.113 C[C@@H](c1cccc(c1)F)N TS08103 [1,1,0,0,0,0|0,1,0]=3 1099 B10R1.113 C[C@@H](c1cccc(c1)F)N TS13761 [1,1,0,0,0,0|0,1,0]=3 1100 B10R1.113 C[C@H](c1cccc(c1)Br)O TS38040 [1,1,0,0,0,0|0,0,0]=2 1101 B10R1.113 C[C@H](c1cccc(c1)Cl)N TS46592 [1,1,0,0,0,0|0,1,0]=3 1102 B10R1.113 C[C@H](c1cccc(c1)F)N TS46593 [1,1,0,0,0,0|0,1,0]=3 1103 B10R1.113 C[C@H](c1cccc(c1)N)N TS06099 [1,1,0,0,0,0|1,0,0]=3 1104 B10R1.113 Cc1cccc(c1)C(=N)N TS12936 [1,1,0,0,0,0|1,0,1]=4 1105 B10R1.113 Cc1cccc(c1)C(=O)C TS01793 [1,1,0,0,0,0|1,0,1]=4 1106 B10R1.113 Cc1cccc(c1)C(=O)N TS36933 [1,1,0,0,0,0|1,0,1]=4 1107 B10R1.113 Cc1cccc(c1)C(=S)N TS41054 [1,1,0,0,0,0|1,0,1]=4 1108 B10R1.113 Cc1cccc(c1)C(C)O TS37016 [1,1,0,0,0,0|1,0,0]=3 1109 B10R1.113 Cc1cccc(c1)N(C)C TS36944 [1,1,0,0,0,0|2,0,0]=4 1110 B10R1.113 Cc1cccc(c1)N(C)N TS37033 [1,1,0,0,0,0|2,0,0]=4 1111 B10R1.113 Cc1cccc(c1)[C@@H](C)N TS45396 [1,1,0,0,0,0|1,0,0]=3 1112 B10R1.113 Cc1cccc(c1)[C@H](C)N TS45397 [1,1,0,0,0,0|1,0,0]=3 1113 B10R1.113 Cc1cccc(n1)C(C)N TS06109 [1,1,0,0,0,0|2,0,0]=4 1114 B10R1.113 Cc1ccnc(c1)C(C)N TS37022 [1,1,0,0,0,0|2,0,0]=4 1115 B10R1.113 c1c(cncc1Br)C(=O)N TS60080 [1,1,0,0,0,0|1,0,1]=4 1116 B10R1.113 c1cc(cc(c1)Br)C(=N)N TS09478 [1,1,0,0,0,0|0,0,1]=3 1117 B10R1.113 c1cc(cc(c1)Br)C(=N)N TS54155 [1,1,0,0,0,0|0,0,1]=3 1118 B10R1.113 c1cc(cc(c1)Br)C(=O)Cl TS56222 [1,1,0,0,0,0|1,0,1]=4 1119 B10R1.113 c1cc(cc(c1)Br)C(=O)N TS18933 [1,1,0,0,0,0|0,0,1]=3 1120 B10R1.113 c1cc(cc(c1)Br)C(=O)O TS19140 [1,1,0,0,0,0|1,0,1]=4 1121 B10R1.113 c1cc(cc(c1)Br)C(=S)N TS21980 [1,1,0,0,0,0|0,0,1]=3 1122 B10R1.113 c1cc(cc(c1)Br)C(F)F TS59897 [1,1,0,0,0,0|1,0,0]=3 1123 B10R1.113 c1cc(cc(c1)Br)[N+](=O)[O-] TS16330 [1,1,0,0,0,0|2,0,0]=4 1124 B10R1.113 c1cc(cc(c1)Cl)C(=N)N TS41463 [1,1,0,0,0,0|0,1,1]=4 1125 B10R1.113 c1cc(cc(c1)Cl)C(=N)N TS51244 [1,1,0,0,0,0|0,1,1]=4 1126 B10R1.113 c1cc(cc(c1)Cl)C(=O)N TS10611 [1,1,0,0,0,0|0,1,1]=4 1127 B10R1.113 c1cc(cc(c1)Cl)C(=S)N TS45392 [1,1,0,0,0,0|0,1,1]=4 1128 B10R1.113 c1cc(cc(c1)Cl)C(Br)Br TS34768 [1,1,0,0,0,0|1,1,0]=4 1129 B10R1.113 c1cc(cc(c1)Cl)C(Cl)Cl TS52076 [1,1,0,0,0,0|1,1,0]=4 1130 B10R1.113 c1cc(cc(c1)F)C(=N)N TS13606 [1,1,0,0,0,0|0,1,1]=4 1131 B10R1.113 c1cc(cc(c1)F)C(=N)N TS37176 [1,1,0,0,0,0|0,1,1]=4 1132 B10R1.113 c1cc(cc(c1)F)C(=O)N TS37271 [1,1,0,0,0,0|0,1,1]=4 1133 B10R1.113 c1cc(cc(c1)F)C(=S)N TS41514 [1,1,0,0,0,0|0,1,1]=4 1134 B10R1.113 c1cc(cc(c1)F)C(Br)Br TS30471 [1,1,0,0,0,0|1,1,0]=4 1135 B10R1.113 c1cc(cc(c1)F)C(Cl)Cl TS47665 [1,1,0,0,0,0|1,1,0]=4 1136 B10R1.113 c1cc(cc(c1)I)C(=O)N TS62384 [1,1,0,0,0,0|0,1,1]=4 1137 B10R1.113 c1cc(cc(c1)I)C(=S)N TS29885 [1,1,0,0,0,0|0,1,1]=4 1138 B10R1.113 c1cc(cc(c1)N)C(=N)N TS20481 [1,1,0,0,0,0|1,0,1]=4 1139 B10R1.113 c1cc(cc(c1)N)C(=O)N TS60003 [1,1,0,0,0,0|1,0,1]=4 1140 B10R1.113 c1cc(cc(c1)N)C(=S)N TS41179 [1,1,0,0,0,0|1,0,1]=4 1141 B10R1.113 c1cc(cc(c1)O)C(=O)N TS70620 [1,1,0,0,0,0|1,0,1]=4 1142 B10R1.113 c1cc(cc(c1)O)C(=S)N TS10338 [1,1,0,0,0,0|1,0,1]=4 1143 B10R1.113 c1cc(nc(c1)Br)C(=N)N TS25961 [1,1,0,0,0,0|1,0,1]=4 1144 B10R1.113 c1cc(nc(c1)Br)C(=O)N TS19141 [1,1,0,0,0,0|1,0,1]=4 1145 B10R1.113 c1cnc(cc1Br)C(=O)N TS19142 [1,1,0,0,0,0|1,0,1]=4 1146 B10R1.113 c1cnc(cc1C(=O)N)Br TS00863 [1,1,0,0,0,0|1,0,1]=4 1147 B10R1.172 CCc1cc(cnc1)CC TS36963 [1,1,0,0,0,0|2,0,0]=4 1148 B10R1.172 CCc1cccc(c1)C#N TS00148 [1,1,0,0,0,0|1,0,0]=3 1149 B10R1.172 CCc1cccc(c1)C=O TS36830 [1,1,0,0,0,0|1,0,0]=3 1150 B10R1.172 CCc1cccc(c1)NN TS13273 [1,1,0,0,0,0|1,0,0]=3 1151 B10R1.172 CCc1cccc(n1)CO TS46566 [1,1,0,0,0,0|2,0,0]=4 1152 B10R1.172 CNc1cccc(c1)OC TS37104 [1,1,0,0,0,0|2,0,0]=4 1153 B10R1.172 COc1cc(ccn1)CN TS86154 [1,1,0,0,0,0|2,0,0]=4 1154 B10R1.172 COc1cc(cnc1)CN TS92215 [1,1,0,0,0,0|2,0,0]=4 1155 B10R1.172 COc1cccc(c1)C#C TS36666 [1,1,0,0,0,0|2,0,0]=4 1156 B10R1.172 COc1cccc(c1)C#N TS39448 [1,1,0,0,0,0|2,0,0]=4 1157 B10R1.172 COc1cccc(c1)C=O TS02819 [1,1,0,0,0,0|2,0,0]=4 1158 B10R1.172 COc1cccc(c1)CBr TS38037 [1,1,0,0,0,0|1,0,0]=3 1159 B10R1.172 COc1cccc(c1)CCl TS39449 [1,1,0,0,0,0|1,1,0]=4 1160 B10R1.172 COc1cccc(c1)CN TS60017 [1,1,0,0,0,0|1,0,0]=3 1161 B10R1.172 COc1cccc(c1)CO TS39311 [1,1,0,0,0,0|2,0,0]=4 1162 B10R1.172 COc1cccc(c1)C[Zn+] TS50042 [1,1,0,0,0,0|2,0,0]=4 1163 B10R1.172 COc1cccc(c1)NN TS02825 [1,1,0,0,0,0|2,0,0]=4 1164 B10R1.172 COc1cccc(c1)OC TS46804 [1,1,0,0,0,0|2,0,0]=4 1165 B10R1.172 COc1cccc(c1)SC TS41406 [1,1,0,0,0,0|2,0,0]=4 1166 B10R1.172 COc1cccc(c1)[Mg]Br TS44049 [1,1,0,0,0,0|1,0,0]=3 1167 B10R1.172 COc1cccc(n1)CN TS46568 [1,1,0,0,0,0|2,0,0]=4 1168 B10R1.172 c1c(cncc1C=O)CN TS06067 [1,1,0,0,0,0|2,0,0]=4 1169 B10R1.172 c1c(cncc1CN)CN TS06201 [1,1,0,0,0,0|2,0,0]=4 1170 B10R1.172 c1cc(cc(c1)C#N)CBr TS02725 [1,1,0,0,0,0|0,0,2]=4 1171 B10R1.172 c1cc(cc(c1)C#N)CCl TS00144 [1,1,0,0,0,0|2,0,0]=4 1172 B10R1.172 c1cc(cc(c1)C#N)CN TS02724 [1,1,0,0,0,0|1,0,0]=3 1173 B10R1.172 c1cc(cc(c1)C#N)CN TS12626 [1,1,0,0,0,0|1,0,0]=3 1174 B10R1.172 c1cc(cc(c1)C#N)C[Zn+] TS29700 [1,1,0,0,0,0|2,0,0]=4 1175 B10R1.172 c1cc(cc(c1)C=O)CBr TS65062 [1,1,0,0,0,0|1,0,1]=4 1176 B10R1.172 c1cc(cc(c1)CBr)CBr TS29983 [1,1,0,0,0,0|1,0,0]=3 1177 B10R1.172 c1cc(cc(c1)CBr)CO TS38049 [1,1,0,0,0,0|1,0,0]=3 1178 B10R1.172 c1cc(cc(c1)CCl)CCl TS13623 [1,1,0,0,0,0|1,1,0]=4 1179 B10R1.172 c1cc(cc(c1)CN)CN TS39703 [1,1,0,0,0,0|1,0,0]=3 1180 B10R1.172 c1cc(cc(c1)CO)CO TS06249 [1,1,0,0,0,0|2,0,0]=4 1181 B10R1.172 c1cc(cc(c1)CS)CS TS12898 [1,1,0,0,0,0|2,0,0]=4 1182 B10R1.172 c1cc(cc(c1)NN)C#N TS02728 [1,1,0,0,0,0|2,0,0]=4 1183 B10R1.172 c1cc(cc(c1)NN)C#N TS12729 [1,1,0,0,0,0|2,0,0]=4 1184 B10R1.172 c1cc(nc(c1)CBr)CBr TS30108 [1,1,0,0,0,0|2,0,0]=4 1185 B10R1.172 c1cc(nc(c1)CBr)CO TS38193 [1,1,0,0,0,0|2,0,0]=4 1186 B10R1.172 c1cc(nc(c1)CO)CN TS37187 [1,1,0,0,0,0|2,0,0]=4 1187 B10R1.172 c1cnc(cc1C=O)CN TS06057 [1,1,0,0,0,0|2,0,0]=4 1188 B10R1.176 CCc1ccc(c(c1)C)C TS05926 [1,1,0,0,0,0|1,0,0]=3 1189 B10R1.176 CCc1ccc(c(c1)O)Cl TS41725 [1,1,0,0,0,0|1,0,0]=3 1190 B10R1.176 CCc1ccc(c(c1)O)N TS45705 [1,1,0,0,0,0|1,0,0]=3 1191 B10R1.176 CCc1ccc(c(c1)O)O TS06251 [1,1,0,0,0,0|1,0,0]=3 1192 B10R1.176 COc1cc(c(cn1)F)Br TS16770 [1,1,0,0,0,0|2,0,0]=4 1193 B10R1.176 COc1ccc(c(c1)Br)Br TS65444 [1,1,0,0,0,0|1,0,0]=3 1194 B10R1.176 COc1ccc(c(c1)Br)Cl TS09326 [1,1,0,0,0,0|1,0,0]=3 1195 B10R1.176 COc1ccc(c(c1)Br)N TS19316 [1,1,0,0,0,0|1,0,0]=3 1196 B10R1.176 COc1ccc(c(c1)Cl)Br TS09571 [1,1,0,0,0,0|1,1,0]=4 1197 B10R1.176 COc1ccc(c(c1)Cl)Cl TS13958 [1,1,0,0,0,0|1,1,0]=4 1198 B10R1.176 COc1ccc(c(c1)Cl)F TS42230 [1,1,0,0,0,0|1,1,0]=4 1199 B10R1.176 COc1ccc(c(c1)Cl)O TS55224 [1,1,0,0,0,0|1,1,0]=4 1200 B10R1.176 COc1ccc(c(c1)F)Br TS32865 [1,1,0,0,0,0|1,1,0]=4 1201 B10R1.176 COc1ccc(c(c1)F)Cl TS07778 [1,1,0,0,0,0|1,1,0]=4 1202 B10R1.176 COc1ccc(c(c1)F)F TS60319 [1,1,0,0,0,0|1,1,0]=4 1203 B10R1.176 COc1ccc(c(c1)F)N TS55333 [1,1,0,0,0,0|1,1,0]=4 1204 B10R1.176 COc1ccc(c(c1)F)O TS55337 [1,1,0,0,0,0|1,1,0]=4 1205 B10R1.176 COc1ccc(c(c1)I)Br TS61047 [1,1,0,0,0,0|1,1,0]=4 1206 B10R1.176 COc1ccc(c(c1)I)N TS60298 [1,1,0,0,0,0|1,1,0]=4 1207 B10R1.176 COc1ccc(c(c1)N)Br TS08349 [1,1,0,0,0,0|2,0,0]=4 1208 B10R1.176 COc1ccc(c(c1)N)Cl TS08442 [1,1,0,0,0,0|2,0,0]=4 1209 B10R1.176 COc1ccc(c(c1)N)Cl TS55252 [1,1,0,0,0,0|2,0,0]=4 1210 B10R1.176 COc1ccc(c(c1)N)F TS09302 [1,1,0,0,0,0|2,0,0]=4 1211 B10R1.176 COc1ccc(c(c1)N)N TS94383 [1,1,0,0,0,0|2,0,0]=4 1212 B10R1.176 COc1ccc(c(c1)N)O TS08806 [1,1,0,0,0,0|2,0,0]=4 1213 B10R1.176 COc1ccc(c(c1)O)Br TS08352 [1,1,0,0,0,0|2,0,0]=4 1214 B10R1.176 COc1ccc(c(c1)O)Cl TS11086 [1,1,0,0,0,0|2,0,0]=4 1215 B10R1.176 COc1ccc(c(c1)O)N TS13758 [1,1,0,0,0,0|2,0,0]=4 1216 B10R1.176 COc1ccc(c(n1)Br)N TS85165 [1,1,0,0,0,0|2,0,0]=4 1217 B10R1.176 CSc1ccc(c(c1)Cl)Cl TS51593 [1,1,0,0,0,0|1,1,0]=4 1218 B10R1.176 Cc1cc(ccc1Br)NN TS19153 [1,1,0,0,0,0|2,0,0]=4 1219 B10R1.176 Cc1cc(ccc1Br)OC TS09585 [1,1,0,0,0,0|2,0,0]=4 1220 B10R1.176 Cc1cc(ccc1Cl)NN TS51588 [1,1,0,0,0,0|2,0,0]=4 1221 B10R1.176 Cc1cc(ccc1Cl)OC TS41716 [1,1,0,0,0,0|2,0,0]=4 1222 B10R1.176 Cc1cc(ccc1F)CBr TS38382 [1,1,0,0,0,0|2,0,0]=4 1223 B10R1.176 Cc1cc(ccc1F)CN TS39504 [1,1,0,0,0,0|1,0,0]=3 1224 B10R1.176 Cc1cc(ccc1F)CO TS37371 [1,1,0,0,0,0|2,0,0]=4 1225 B10R1.176 Cc1cc(ccc1F)OC TS60402 [1,1,0,0,0,0|2,0,0]=4 1226 B10R1.176 Cc1cc(ccc1N)OC TS71202 [1,1,0,0,0,0|2,0,0]=4 1227 B10R1.176 Cc1ccc(cc1Br)C#N TS09457 [1,1,0,0,0,0|0,0,2]=4 1228 B10R1.176 Cc1ccc(cc1C)CCl TS41472 [1,1,0,0,0,0|2,0,0]=4 1229 B10R1.176 Cc1ccc(cc1C)CN TS65456 [1,1,0,0,0,0|1,0,0]=3 1230 B10R1.176 Cc1ccc(cc1C)CO TS65455 [1,1,0,0,0,0|2,0,0]=4 1231 B10R1.176 Cc1ccc(cc1C)NN TS13274 [1,1,0,0,0,0|2,0,0]=4 1232 B10R1.176 Cc1ccc(cc1C)OC TS06079 [1,1,0,0,0,0|2,0,0]=4 1233 B10R1.176 Cc1ccc(cc1Cl)CCl TS13624 [1,1,0,0,0,0|1,1,0]=4 1234 B10R1.176 Cc1ccc(cc1Cl)CN TS07745 [1,1,0,0,0,0|0,1,0]=3 1235 B10R1.176 Cc1ccc(cc1Cl)CO TS41715 [1,1,0,0,0,0|1,1,0]=4 1236 B10R1.176 Cc1ccc(cc1Cl)NN TS02033 [1,1,0,0,0,0|1,1,0]=4 1237 B10R1.176 Cc1ccc(cc1Cl)OC TS65983 [1,1,0,0,0,0|1,1,0]=4 1238 B10R1.176 Cc1ccc(cc1F)CBr TS38381 [1,1,0,0,0,0|1,1,0]=4 1239 B10R1.176 Cc1ccc(cc1F)CCl TS11091 [1,1,0,0,0,0|1,1,0]=4 1240 B10R1.176 Cc1ccc(cc1F)CN TS65517 [1,1,0,0,0,0|0,1,0]=3 1241 B10R1.176 Cc1ccc(cc1F)CO TS06453 [1,1,0,0,0,0|1,1,0]=4 1242 B10R1.176 Cc1ccc(cc1F)NN TS65519 [1,1,0,0,0,0|1,1,0]=4 1243 B10R1.176 Cc1ccc(cc1F)OC TS65516 [1,1,0,0,0,0|1,1,0]=4 1244 B10R1.176 Cc1ccc(cc1N)OC TS39535 [1,1,0,0,0,0|2,0,0]=4 1245 B10R1.176 Cn1cc(ccc1=O)CN TS86810 [1,1,0,0,0,0|2,0,0]=4 1246 B10R1.176 Cn1ccc(cc1=O)CN TS86809 [1,1,0,0,0,0|2,0,0]=4 1247 B10R1.176 c1cc(c(cc1C#N)Br)Cl TS65916 [1,1,0,0,0,0|0,0,2]=4 1248 B10R1.176 c1cc(c(cc1C#N)Br)F TS09444 [1,1,0,0,0,0|0,0,2]=4 1249 B10R1.176 c1cc(c(cc1C#N)Br)N TS39468 [1,1,0,0,0,0|0,0,2]=4 1250 B10R1.176 c1cc(c(cc1C#N)Br)O TS01840 [1,1,0,0,0,0|0,0,2]=4 1251 B10R1.176 c1cc(c(cc1C=O)Br)Br TS29980 [1,1,0,0,0,0|1,0,1]=4 1252 B10R1.176 c1cc(c(cc1C=O)Br)F TS65921 [1,1,0,0,0,0|1,0,1]=4 1253 B10R1.176 c1cc(c(cc1C=O)Br)O TS19137 [1,1,0,0,0,0|1,0,1]=4 1254 B10R1.176 c1cc(c(cc1CBr)Br)F TS09327 [1,1,0,0,0,0|1,0,0]=3 1255 B10R1.176 c1cc(c(cc1CBr)Cl)Cl TS02539 [1,1,0,0,0,0|1,1,0]=4 1256 B10R1.176 c1cc(c(cc1CBr)Cl)F TS02685 [1,1,0,0,0,0|1,1,0]=4 1257 B10R1.176 c1cc(c(cc1CBr)F)Br TS29436 [1,1,0,0,0,0|1,1,0]=4 1258 B10R1.176 c1cc(c(cc1CBr)F)Cl TS09634 [1,1,0,0,0,0|1,1,0]=4 1259 B10R1.176 c1cc(c(cc1CBr)F)F TS65754 [1,1,0,0,0,0|1,1,0]=4 1260 B10R1.176 c1cc(c(cc1CCl)Cl)F TS65497 [1,1,0,0,0,0|1,1,0]=4 1261 B10R1.176 c1cc(c(cc1CCl)F)Cl TS07779 [1,1,0,0,0,0|1,1,0]=4 1262 B10R1.176 c1cc(c(cc1CCl)F)F TS65755 [1,1,0,0,0,0|1,1,0]=4 1263 B10R1.176 c1cc(c(cc1CN)Br)O TS19315 [1,1,0,0,0,0|0,0,0]=2 1264 B10R1.176 c1cc(c(cc1CN)Cl)Cl TS46040 [1,1,0,0,0,0|0,1,0]=3 1265 B10R1.176 c1cc(c(cc1CN)Cl)F TS02691 [1,1,0,0,0,0|0,1,0]=3 1266 B10R1.176 c1cc(c(cc1CN)F)Cl TS11187 [1,1,0,0,0,0|0,1,0]=3 1267 B10R1.176 c1cc(c(cc1CN)F)F TS65451 [1,1,0,0,0,0|0,1,0]=3 1268 B10R1.176 c1cc(c(cc1CN)O)O TS06377 [1,1,0,0,0,0|1,0,0]=3 1269 B10R1.176 c1cc(c(cc1CN)O)O TS22688 [1,1,0,0,0,0|1,0,0]=3 1270 B10R1.176 c1cc(c(cc1CO)Br)O TS38375 [1,1,0,0,0,0|1,0,0]=3 1271 B10R1.176 c1cc(c(cc1CO)Cl)Cl TS13956 [1,1,0,0,0,0|1,1,0]=4 1272 B10R1.176 c1cc(c(cc1CO)Cl)F TS65496 [1,1,0,0,0,0|1,1,0]=4 1273 B10R1.176 c1cc(c(cc1CO)F)Br TS19893 [1,1,0,0,0,0|1,1,0]=4 1274 B10R1.176 c1cc(c(cc1CO)F)Cl TS42234 [1,1,0,0,0,0|1,1,0]=4 1275 B10R1.176 c1cc(c(cc1CO)F)F TS65450 [1,1,0,0,0,0|1,1,0]=4 1276 B10R1.176 c1cc(c(cc1CO)O)I TS39307 [1,1,0,0,0,0|2,0,0]=4 1277 B10R1.176 c1cc(c(cc1CO)O)O TS37342 [1,1,0,0,0,0|2,0,0]=4 1278 B10R1.176 c1cc(c(cc1CS)Cl)Cl TS51592 [1,1,0,0,0,0|1,1,0]=4 1279 B10R1.176 c1cc(c(cc1C[Zn+])F)F TS33417 [1,1,0,0,0,0|1,1,0]=4 1280 B10R1.176 c1cc(c(cc1NN)Cl)Cl TS21553 [1,1,0,0,0,0|1,1,0]=4 1281 B10R1.176 c1cc(c(cc1NN)Cl)F TS18404 [1,1,0,0,0,0|1,1,0]=4 1282 B10R1.176 c1cc(c(cc1NN)Cl)F TS42242 [1,1,0,0,0,0|1,1,0]=4 1283 B10R1.176 c1cc(c(cc1NN)F)F TS47994 [1,1,0,0,0,0|1,1,0]=4 1284 B10R1.176 c1cc(c(cc1NN)F)F TS65759 [1,1,0,0,0,0|1,1,0]=4 1285 B10R1.1 C=CCc1ccc(cc1)O TS36845 [1,1,0,0,0,0|1,0,1]=4 1286 B10R1.1 CCCc1ccc(cc1)Br TS54164 [1,1,0,0,0,0|1,0,0]=3 1287 B10R1.1 CCCc1ccc(cc1)C TS05929 [1,1,0,0,0,0|1,0,0]=3 1288 B10R1.1 CCCc1ccc(cc1)Cl TS41466 [1,1,0,0,0,0|1,0,0]=3 1289 B10R1.1 CCCc1ccc(cc1)F TS07665 [1,1,0,0,0,0|1,0,0]=3 1290 B10R1.1 CCCc1ccc(cc1)I TS27402 [1,1,0,0,0,0|1,0,0]=3 1291 B10R1.1 CCCc1ccc(cc1)N TS36955 [1,1,0,0,0,0|1,0,0]=3 1292 B10R1.1 CCCc1ccc(cc1)O TS06088 [1,1,0,0,0,0|1,0,0]=3 1293 B10R1.1 CCNc1ccc(cc1)C TS36952 [1,1,0,0,0,0|2,0,0]=4 1294 B10R1.1 CCNc1ccc(cc1)Cl TS10637 [1,1,0,0,0,0|2,0,0]=4 1295 B10R1.1 CCOc1ccc(cc1)Br TS38042 [1,1,0,0,0,0|2,0,0]=4 1296 B10R1.1 CCOc1ccc(cc1)C TS06082 [1,1,0,0,0,0|2,0,0]=4 1297 B10R1.1 CCOc1ccc(cc1)Cl TS41721 [1,1,0,0,0,0|2,0,0]=4 1298 B10R1.1 CCOc1ccc(cc1)F TS37363 [1,1,0,0,0,0|2,0,0]=4 1299 B10R1.1 CCOc1ccc(cc1)I TS59517 [1,1,0,0,0,0|2,0,0]=4 1300 B10R1.1 CCOc1ccc(cc1)N TS33162 [1,1,0,0,0,0|2,0,0]=4 1301 B10R1.1 CCOc1ccc(cc1)N TS45702 [1,1,0,0,0,0|2,0,0]=4 1302 B10R1.1 CCOc1ccc(cc1)O TS06257 [1,1,0,0,0,0|2,0,0]=4 1303 B10R1.1 CCSc1ccc(cc1)Br TS49222 [1,1,0,0,0,0|2,0,0]=4 1304 B10R1.1 CCSc1ccc(cc1)Cl TS13282 [1,1,0,0,0,0|2,0,0]=4 1305 B10R1.1 CNCc1ccc(cc1)Cl TS08033 [1,1,0,0,0,0|2,0,0]=4 1306 B10R1.1 COCc1ccc(cc1)F TS37375 [1,1,0,0,0,0|2,0,0]=4 1307 B10R1.1 CSCc1ccc(cc1)Cl TS13281 [1,1,0,0,0,0|2,0,0]=4 1308 B10R1.1 Cc1ccc(cc1)CC#N TS03175 [1,1,0,0,0,0|0,0,2]=4 1309 B10R1.1 Cc1ccc(cc1)CC=C TS05765 [1,1,0,0,0,0|1,0,1]=4 1310 B10R1.1 Cc1ccc(cc1)CC=O TS59814 [1,1,0,0,0,0|1,0,1]=4 1311 B10R1.1 Cc1ccc(cc1)CCBr TS18768 [1,1,0,0,0,0|1,0,0]=3 1312 B10R1.1 Cc1ccc(cc1)CCN TS36945 [1,1,0,0,0,0|0,0,0]=2 1313 B10R1.1 Cc1ccc(cc1)CCO TS06073 [1,1,0,0,0,0|1,0,0]=3 1314 B10R1.1 Cc1ccc(cc1)CNC TS01603 [1,1,0,0,0,0|2,0,0]=4 1315 B10R1.1 Cc1ccc(cc1)SCCl TS13278 [1,1,0,0,0,0|2,0,0]=4 1316 B10R1.1 Cc1ccc(cn1)CCO TS06184 [1,1,0,0,0,0|2,0,0]=4 1317 B10R1.1 [C-]#[N+]Cc1ccc(cc1)Br TS18167 [1,1,0,0,0,0|2,0,0]=4 1318 B10R1.1 [C-]#[N+]Cc1ccc(cc1)Cl TS41066 [1,1,0,0,0,0|2,0,0]=4 1319 B10R1.1 c1cc(ccc1CC#N)Br TS71003 [1,1,0,0,0,0|0,0,2]=4 1320 B10R1.1 c1cc(ccc1CC#N)Cl TS39554 [1,1,0,0,0,0|0,0,2]=4 1321 B10R1.1 c1cc(ccc1CC#N)F TS09126 [1,1,0,0,0,0|0,0,2]=4 1322 B10R1.1 c1cc(ccc1CC#N)I TS09719 [1,1,0,0,0,0|0,0,2]=4 1323 B10R1.1 c1cc(ccc1CC#N)N TS05748 [1,1,0,0,0,0|0,0,2]=4 1324 B10R1.1 c1cc(ccc1CC#N)N TS12627 [1,1,0,0,0,0|0,0,2]=4 1325 B10R1.1 c1cc(ccc1CC#N)O TS59576 [1,1,0,0,0,0|0,0,2]=4 1326 B10R1.1 c1cc(ccc1CC=O)Br TS59562 [1,1,0,0,0,0|1,0,1]=4 1327 B10R1.1 c1cc(ccc1CC=O)Cl TS08034 [1,1,0,0,0,0|1,0,1]=4 1328 B10R1.1 c1cc(ccc1CC=O)F TS47060 [1,1,0,0,0,0|1,0,1]=4 1329 B10R1.1 c1cc(ccc1CC=O)N TS36921 [1,1,0,0,0,0|1,0,1]=4 1330 B10R1.1 c1cc(ccc1CC=O)O TS36982 [1,1,0,0,0,0|1,0,1]=4 1331 B10R1.1 c1cc(ccc1CCBr)Br TS71001 [1,1,0,0,0,0|1,0,0]=3 1332 B10R1.1 c1cc(ccc1CCBr)Cl TS08144 [1,1,0,0,0,0|1,0,0]=3 1333 B10R1.1 c1cc(ccc1CCBr)F TS38380 [1,1,0,0,0,0|1,0,0]=3 1334 B10R1.1 c1cc(ccc1CCBr)O TS38051 [1,1,0,0,0,0|1,0,0]=3 1335 B10R1.1 c1cc(ccc1CCCl)F TS11092 [1,1,0,0,0,0|1,0,0]=3 1336 B10R1.1 c1cc(ccc1CCN)Br TS34272 [1,1,0,0,0,0|0,0,0]=2 1337 B10R1.1 c1cc(ccc1CCN)Br TS71000 [1,1,0,0,0,0|0,0,0]=2 1338 B10R1.1 c1cc(ccc1CCN)Cl TS10636 [1,1,0,0,0,0|0,0,0]=2 1339 B10R1.1 c1cc(ccc1CCN)Cl TS51403 [1,1,0,0,0,0|0,0,0]=2 1340 B10R1.1 c1cc(ccc1CCN)F TS03097 [1,1,0,0,0,0|0,0,0]=2 1341 B10R1.1 c1cc(ccc1CCN)F TS13760 [1,1,0,0,0,0|0,0,0]=2 1342 B10R1.1 c1cc(ccc1CCN)I TS27555 [1,1,0,0,0,0|0,0,0]=2 1343 B10R1.1 c1cc(ccc1CCN)N TS09521 [1,1,0,0,0,0|0,0,0]=2 1344 B10R1.1 c1cc(ccc1CCN)N TS37024 [1,1,0,0,0,0|0,0,0]=2 1345 B10R1.1 c1cc(ccc1CCN)O TS01822 [1,1,0,0,0,0|0,0,0]=2 1346 B10R1.1 c1cc(ccc1CCN)O TS39727 [1,1,0,0,0,0|0,0,0]=2 1347 B10R1.1 c1cc(ccc1CCO)Br TS16460 [1,1,0,0,0,0|1,0,0]=3 1348 B10R1.1 c1cc(ccc1CCO)Cl TS10797 [1,1,0,0,0,0|1,0,0]=3 1349 B10R1.1 c1cc(ccc1CCO)F TS39509 [1,1,0,0,0,0|1,0,0]=3 1350 B10R1.1 c1cc(ccc1CCO)N TS39616 [1,1,0,0,0,0|1,0,0]=3 1351 B10R1.1 c1cc(ccc1CCO)O TS47066 [1,1,0,0,0,0|1,0,0]=3 1352 B10R1.1 c1cc(ccc1CNN)Br TS91149 [1,1,0,0,0,0|1,0,0]=3 1353 B10R1.1 c1cc(ccc1CNN)Cl TS90344 [1,1,0,0,0,0|1,0,0]=3 1354 B10R1.1 c1cc(ccc1CNN)F TS88239 [1,1,0,0,0,0|1,0,0]=3 1355 B10R1.1 c1cc(ccc1CNN)F TS94903 [1,1,0,0,0,0|1,0,0]=3 1356 B10R1.1 c1cc(ccc1CO[NH3+])Cl TS39582 [1,1,0,0,0,0|1,0,1]=4 1357 B10R1.1 c1cc(ccc1CO[NH3+])F TS93852 [1,1,0,0,0,0|1,0,1]=4 1358 B10R1.1 c1cc(ncc1Br)CCN TS88073 [1,1,0,0,0,0|1,0,0]=3 1359 B10R1.1 c1cc(ncc1Br)CCO TS86702 [1,1,0,0,0,0|2,0,0]=4 1360 B10R1.4 C=CCc1ccccc1Cl TS41221 [1,1,0,0,0,0|1,0,1]=4 1361 B10R1.4 C=CCc1ccccc1O TS36846 [1,1,0,0,0,0|1,0,1]=4 1362 B10R1.4 CCCc1ccccc1C TS05927 [1,1,0,0,0,0|1,0,0]=3 1363 B10R1.4 CCCc1ccccc1N TS36961 [1,1,0,0,0,0|1,0,0]=3 1364 B10R1.4 CCCc1ccccc1O TS06077 [1,1,0,0,0,0|1,0,0]=3 1365 B10R1.4 CCCn1ccccc1=O TS37115 [1,1,0,0,0,0|2,0,0]=4 1366 B10R1.4 CCNc1ccccc1C TS06011 [1,1,0,0,0,0|2,0,0]=4 1367 B10R1.4 CCNc1ccccc1F TS37294 [1,1,0,0,0,0|2,0,0]=4 1368 B10R1.4 CCOc1ccccc1Br TS39657 [1,1,0,0,0,0|2,0,0]=4 1369 B10R1.4 CCOc1ccccc1Cl TS41727 [1,1,0,0,0,0|2,0,0]=4 1370 B10R1.4 CCOc1ccccc1F TS37374 [1,1,0,0,0,0|2,0,0]=4 1371 B10R1.4 CCOc1ccccc1N TS37118 [1,1,0,0,0,0|2,0,0]=4 1372 B10R1.4 CCOc1ccccc1N TS45700 [1,1,0,0,0,0|2,0,0]=4 1373 B10R1.4 CCOc1ccccc1O TS06253 [1,1,0,0,0,0|2,0,0]=4 1374 B10R1.4 CCOc1ccccc1S TS41408 [1,1,0,0,0,0|2,0,0]=4 1375 B10R1.4 CCSc1ccccc1Br TS49221 [1,1,0,0,0,0|2,0,0]=4 1376 B10R1.4 CCSc1ccccc1O TS41412 [1,1,0,0,0,0|2,0,0]=4 1377 B10R1.4 CNCc1ccccc1Cl TS56333 [1,1,0,0,0,0|2,0,0]=4 1378 B10R1.4 CNCc1ccccc1O TS45699 [1,1,0,0,0,0|2,0,0]=4 1379 B10R1.4 COCc1ccccc1F TS37369 [1,1,0,0,0,0|2,0,0]=4 1380 B10R1.4 Cc1c(cccn1)CCO TS37129 [1,1,0,0,0,0|2,0,0]=4 1381 B10R1.4 Cc1ccccc1CC#N TS05669 [1,1,0,0,0,0|0,0,2]=4 1382 B10R1.4 Cc1ccccc1CC=C TS05766 [1,1,0,0,0,0|1,0,1]=4 1383 B10R1.4 Cc1ccccc1CCBr TS54167 [1,1,0,0,0,0|1,0,0]=3 1384 B10R1.4 Cc1ccccc1CCO TS37017 [1,1,0,0,0,0|1,0,0]=3 1385 B10R1.4 Cc1ccccc1CNC TS36965 [1,1,0,0,0,0|2,0,0]=4 1386 B10R1.4 [C-]#[N+]Cc1ccccc1Cl TS41069 [1,1,0,0,0,0|2,0,0]=4 1387 B10R1.4 c1cc(c(nc1)CCN)Br TS86650 [1,1,0,0,0,0|1,0,0]=3 1388 B10R1.4 c1ccc(c(c1)C=NN)O TS06061 [1,1,0,0,0,0|1,0,1]=4 1389 B10R1.4 c1ccc(c(c1)CC#N)Br TS00857 [1,1,0,0,0,0|0,0,2]=4 1390 B10R1.4 c1ccc(c(c1)CC#N)Cl TS02146 [1,1,0,0,0,0|0,0,2]=4 1391 B10R1.4 c1ccc(c(c1)CC#N)F TS65431 [1,1,0,0,0,0|0,0,2]=4 1392 B10R1.4 c1ccc(c(c1)CC#N)I TS01084 [1,1,0,0,0,0|0,0,2]=4 1393 B10R1.4 c1ccc(c(c1)CC#N)N TS47469 [1,1,0,0,0,0|0,0,2]=4 1394 B10R1.4 c1ccc(c(c1)CCBr)Cl TS55287 [1,1,0,0,0,0|1,0,0]=3 1395 B10R1.4 c1ccc(c(c1)CCBr)F TS01032 [1,1,0,0,0,0|1,0,0]=3 1396 B10R1.4 c1ccc(c(c1)CCN)Br TS37849 [1,1,0,0,0,0|0,0,0]=2 1397 B10R1.4 c1ccc(c(c1)CCN)Cl TS10628 [1,1,0,0,0,0|0,0,0]=2 1398 B10R1.4 c1ccc(c(c1)CCN)F TS37288 [1,1,0,0,0,0|0,0,0]=2 1399 B10R1.4 c1ccc(c(c1)CCN)F TS37293 [1,1,0,0,0,0|0,0,0]=2 1400 B10R1.4 c1ccc(c(c1)CCN)N TS06107 [1,1,0,0,0,0|0,0,0]=2 1401 B10R1.4 c1ccc(c(c1)CCN)O TS37108 [1,1,0,0,0,0|0,0,0]=2 1402 B10R1.4 c1ccc(c(c1)CCO)Br TS38054 [1,1,0,0,0,0|1,0,0]=3 1403 B10R1.4 c1ccc(c(c1)CCO)Cl TS41724 [1,1,0,0,0,0|1,0,0]=3 1404 B10R1.4 c1ccc(c(c1)CCO)F TS37364 [1,1,0,0,0,0|1,0,0]=3 1405 B10R1.4 c1ccc(c(c1)CCO)N TS37117 [1,1,0,0,0,0|1,0,0]=3 1406 B10R1.4 c1ccc(c(c1)CCO)O TS55402 [1,1,0,0,0,0|1,0,0]=3 1407 B10R1.4 c1ccc(c(c1)CNN)Br TS89985 [1,1,0,0,0,0|1,0,0]=3 1408 B10R1.4 c1ccc(c(c1)CNN)Cl TS90343 [1,1,0,0,0,0|1,0,0]=3 1409 B10R1.4 c1ccc(c(c1)CNN)F TS88873 [1,1,0,0,0,0|1,0,0]=3 1410 B10R1.4 c1ccc(c(c1)CNN)F TS94875 [1,1,0,0,0,0|1,0,0]=3 1411 B10R1.4 c1ccc(c(c1)CON)F TS93890 [1,1,0,0,0,0|1,0,0]=3 1412 B10R1.4 c1ccc(c(c1)CON)I TS94168 [1,1,0,0,0,0|1,0,0]=3 1413 B10R1.4 c1ccc(c(c1)CO[NH3+])Br TS26271 [1,1,0,0,0,0|1,0,1]=4 1414 B10R1.4 c1ccc(c(c1)CO[NH3+])Cl TS17764 [1,1,0,0,0,0|1,0,1]=4 1415 B10R1.15 C#CC(c1ccccc1)O TS36663 [1,1,0,0,0,0|1,0,1]=4 1416 B10R1.15 C=CC(c1ccccc1)Cl TS41223 [1,1,0,0,0,0|1,0,1]=4 1417 B10R1.15 C=CC(c1ccccc1)O TS36829 [1,1,0,0,0,0|1,0,1]=4 1418 B10R1.15 C=C[C@@H](c1ccccc1)O TS36848 [1,1,0,0,0,0|1,0,1]=4 1419 B10R1.15 C=C[C@H](c1ccccc1)O TS36828 [1,1,0,0,0,0|1,0,1]=4 1420 B10R1.15 CC(=NN)c1ccccc1 TS05912 [1,1,0,0,0,0|1,0,1]=4 1421 B10R1.15 CC(CBr)c1ccccc1 TS54166 [1,1,0,0,0,0|1,0,0]=3 1422 B10R1.15 CC(CN)c1ccccc1 TS36949 [1,1,0,0,0,0|0,0,0]=2 1423 B10R1.15 CC(CO)c1ccccc1 TS06093 [1,1,0,0,0,0|1,0,0]=3 1424 B10R1.15 CC(c1ccccc1)[N+]#[C-] TS05667 [1,1,0,0,0,0|2,0,0]=4 1425 B10R1.15 CCC(=C)c1ccccc1 TS36703 [1,1,0,0,0,0|1,0,1]=4 1426 B10R1.15 CCC(=O)c1ccccc1 TS00059 [1,1,0,0,0,0|1,0,1]=4 1427 B10R1.15 CCC(C)c1ccccc1 TS36864 [1,1,0,0,0,0|1,0,0]=3 1428 B10R1.15 CCC(c1ccccc1)N TS36947 [1,1,0,0,0,0|1,0,0]=3 1429 B10R1.15 CCC(c1ccccc1)O TS37007 [1,1,0,0,0,0|1,0,0]=3 1430 B10R1.15 CCC(c1ccncc1)N TS06101 [1,1,0,0,0,0|2,0,0]=4 1431 B10R1.15 CCN(C)c1ccccc1 TS36948 [1,1,0,0,0,0|2,0,0]=4 1432 B10R1.15 CCN(c1ccccc1)N TS06110 [1,1,0,0,0,0|2,0,0]=4 1433 B10R1.15 CC[C@H](c1ccccc1)N TS46586 [1,1,0,0,0,0|1,0,0]=3 1434 B10R1.15 CC[C@H](c1ccccc1)O TS00311 [1,1,0,0,0,0|1,0,0]=3 1435 B10R1.15 C[C@@H](CN)c1ccccc1 TS08913 [1,1,0,0,0,0|0,0,0]=2 1436 B10R1.15 C[C@@H](CO)c1ccccc1 TS37012 [1,1,0,0,0,0|1,0,0]=3 1437 B10R1.15 C[C@@H](c1ccccc1)NC TS36939 [1,1,0,0,0,0|2,0,0]=4 1438 B10R1.15 C[C@@H](c1ccccc1)NO TS37112 [1,1,0,0,0,0|2,0,0]=4 1439 B10R1.15 C[C@H](CN)c1ccccc1 TS08921 [1,1,0,0,0,0|0,0,0]=2 1440 B10R1.15 C[C@H](CO)c1ccccc1 TS37011 [1,1,0,0,0,0|1,0,0]=3 1441 B10R1.15 C[C@H](C[NH-])c1ccccc1 TS40751 [1,1,0,0,0,0|0,0,1]=3 1442 B10R1.15 C[C@H](c1ccccc1)NC TS39981 [1,1,0,0,0,0|2,0,0]=4 1443 B10R1.15 C[C@H](c1ccccc1)NO TS06188 [1,1,0,0,0,0|2,0,0]=4 1444 B10R1.15 C[C@H](c1ccccc1)[N+]#[C-] TS05668 [1,1,0,0,0,0|2,0,0]=4 1445 B10R1.15 c1cc(cnc1)C(CN)O TS37204 [1,1,0,0,0,0|1,0,0]=3 1446 B10R1.15 c1cc(cnc1)[C@H](CCl)O TS10916 [1,1,0,0,0,0|2,0,0]=4 1447 B10R1.15 c1ccc(cc1)C(=NN)Cl TS41464 [1,1,0,0,0,0|1,0,1]=4 1448 B10R1.15 c1ccc(cc1)C(=O)CBr TS55148 [1,1,0,0,0,0|1,0,1]=4 1449 B10R1.15 c1ccc(cc1)C(=O)CCl TS10529 [1,1,0,0,0,0|1,0,1]=4 1450 B10R1.15 c1ccc(cc1)C(=O)CN TS47462 [1,1,0,0,0,0|0,0,1]=3 1451 B10R1.15 c1ccc(cc1)C(=O)CO TS55394 [1,1,0,0,0,0|1,0,1]=4 1452 B10R1.15 c1ccc(cc1)C(=O)NN TS55745 [1,1,0,0,0,0|1,0,1]=4 1453 B10R1.15 c1ccc(cc1)C(C#N)Br TS18169 [1,1,0,0,0,0|0,0,2]=4 1454 B10R1.15 c1ccc(cc1)C(C#N)N TS22755 [1,1,0,0,0,0|0,0,2]=4 1455 B10R1.15 c1ccc(cc1)C(CBr)Br TS29982 [1,1,0,0,0,0|1,0,0]=3 1456 B10R1.15 c1ccc(cc1)C(CBr)O TS08926 [1,1,0,0,0,0|1,0,0]=3 1457 B10R1.15 c1ccc(cc1)C(CN)Cl TS41559 [1,1,0,0,0,0|0,0,0]=2 1458 B10R1.15 c1ccc(cc1)C(CN)N TS37030 [1,1,0,0,0,0|0,0,0]=2 1459 B10R1.15 c1ccc(cc1)C(CN)O TS45701 [1,1,0,0,0,0|0,0,0]=2 1460 B10R1.15 c1ccc(cc1)C(CN)O TS93680 [1,1,0,0,0,0|0,0,0]=2 1461 B10R1.15 c1ccc(cc1)C(CO)N TS37105 [1,1,0,0,0,0|1,0,0]=3 1462 B10R1.15 c1ccc(cc1)C(CO)O TS06242 [1,1,0,0,0,0|1,0,0]=3 1463 B10R1.15 c1ccc(cc1)S(=O)CCl TS45878 [1,1,0,0,0,0|2,0,0]=4 1464 B10R1.15 c1ccc(cc1)[C@@H](CCl)O TS10799 [1,1,0,0,0,0|1,0,0]=3 1465 B10R1.15 c1ccc(cc1)[C@@H](CN)O TS64977 [1,1,0,0,0,0|0,0,0]=2 1466 B10R1.15 c1ccc(cc1)[C@@H](CO)N TS06187 [1,1,0,0,0,0|1,0,0]=3 1467 B10R1.15 c1ccc(cc1)[C@@H](CO)O TS08646 [1,1,0,0,0,0|1,0,0]=3 1468 B10R1.15 c1ccc(cc1)[C@H](C#N)O TS36753 [1,1,0,0,0,0|0,0,2]=4 1469 B10R1.15 c1ccc(cc1)[C@H](CCl)O TS41718 [1,1,0,0,0,0|1,0,0]=3 1470 B10R1.15 c1ccc(cc1)[C@H](CN)O TS08918 [1,1,0,0,0,0|0,0,0]=2 1471 B10R1.15 c1ccc(cc1)[C@H](CO)N TS00302 [1,1,0,0,0,0|1,0,0]=3 1472 B10R1.15 c1ccc(cc1)[C@H](CO)O TS59488 [1,1,0,0,0,0|1,0,0]=3 1473 B10R1.15 c1cnccc1C(CN)O TS43948 [1,1,0,0,0,0|1,0,0]=3 1474 B10R1.17 C#CCCc1ccccc1 TS36511 [1,1,0,0,0,0|1,0,0]=3 1475 B10R1.17 C#CCOc1ccccc1 TS36668 [1,1,0,0,0,0|1,0,1]=4 1476 B10R1.17 C#CCSc1ccccc1 TS07496 [1,1,0,0,0,0|1,0,1]=4 1477 B10R1.17 C=CCCc1ccccc1 TS36707 [1,1,0,0,0,0|1,0,0]=3 1478 B10R1.17 C=CCCc1ccncc1 TS36777 [1,1,0,0,0,0|2,0,0]=4 1479 B10R1.17 C=CCNc1ccccc1 TS05848 [1,1,0,0,0,0|1,0,1]=4 1480 B10R1.17 C=CCOc1ccccc1 TS36847 [1,1,0,0,0,0|1,0,1]=4 1481 B10R1.17 C=CCSc1ccccc1 TS40921 [1,1,0,0,0,0|1,0,1]=4 1482 B10R1.17 CC=CCc1ccccc1 TS36709 [1,1,0,0,0,0|1,0,1]=4 1483 B10R1.17 CCC#Cc1ccccc1 TS36516 [1,1,0,0,0,0|1,0,1]=4 1484 B10R1.17 CCC=Cc1ccccc1 TS36700 [1,1,0,0,0,0|1,0,1]=4 1485 B10R1.17 CCCC[n+]1ccccc1 TS21989 [1,1,0,0,0,0|2,0,0]=4 1486 B10R1.17 CCCC[n+]1ccccc1 TS45400 [1,1,0,0,0,0|2,0,0]=4 1487 B10R1.17 CCCCc1ccccc1 TS36870 [1,1,0,0,0,0|1,0,0]=3 1488 B10R1.17 CCCCc1ccccn1 TS06002 [1,1,0,0,0,0|2,0,0]=4 1489 B10R1.17 CCCCc1cccnc1 TS06012 [1,1,0,0,0,0|2,0,0]=4 1490 B10R1.17 CCCCc1ccncc1 TS06014 [1,1,0,0,0,0|2,0,0]=4 1491 B10R1.17 CCCNc1ccccc1 TS36942 [1,1,0,0,0,0|1,0,0]=3 1492 B10R1.17 CCCOc1ccccc1 TS37010 [1,1,0,0,0,0|1,0,0]=3 1493 B10R1.17 CCCSc1ccccc1 TS41194 [1,1,0,0,0,0|1,0,0]=3 1494 B10R1.17 CCN=Cc1ccccc1 TS05847 [1,1,0,0,0,0|1,0,1]=4 1495 B10R1.17 CCNCc1ccccc1 TS06015 [1,1,0,0,0,0|1,0,0]=3 1496 B10R1.17 CCNCc1ccncc1 TS37037 [1,1,0,0,0,0|2,0,0]=4 1497 B10R1.17 CCOCc1ccccc1 TS37009 [1,1,0,0,0,0|1,0,0]=3 1498 B10R1.17 CCSCc1ccccc1 TS41200 [1,1,0,0,0,0|1,0,0]=3 1499 B10R1.17 CNCCc1ccccc1 TS01606 [1,1,0,0,0,0|0,0,0]=2 1500 B10R1.17 CNCCc1ccccn1 TS37041 [1,1,0,0,0,0|1,0,0]=3 1501 B10R1.17 CNCCc1ccccn1 TS63536 [1,1,0,0,0,0|1,0,0]=3 1502 B10R1.17 CNCCc1ccccn1 TS65180 [1,1,0,0,0,0|1,0,0]=3 1503 B10R1.17 CNCCc1cccnc1 TS08004 [1,1,0,0,0,0|1,0,0]=3 1504 B10R1.17 CNCCc1ccncc1 TS37035 [1,1,0,0,0,0|1,0,0]=3 1505 B10R1.17 COCCc1ccccc1 TS06081 [1,1,0,0,0,0|1,0,0]=3 1506 B10R1.17 COCCc1ccccn1 TS06192 [1,1,0,0,0,0|2,0,0]=4 1507 B10R1.17 COCOc1ccccc1 TS06260 [1,1,0,0,0,0|2,0,0]=4 1508 B10R1.17 COCSc1ccccc1 TS10468 [1,1,0,0,0,0|2,0,0]=4 1509 B10R1.17 CSCOc1ccccc1 TS10467 [1,1,0,0,0,0|2,0,0]=4 1510 B10R1.17 CSSCc1ccccc1 TS12900 [1,1,0,0,0,0|2,0,0]=4 1511 B10R1.17 [C-]#[N+]CCc1ccccc1 TS05666 [1,1,0,0,0,0|0,0,1]=3 1512 B10R1.17 c1cc(cnc1)CCC#N TS05740 [1,1,0,0,0,0|1,0,1]=4 1513 B10R1.17 c1cc(cnc1)CCCO TS37116 [1,1,0,0,0,0|2,0,0]=4 1514 B10R1.17 c1ccc(cc1)C#CCCl TS09975 [1,1,0,0,0,0|1,0,1]=4 1515 B10R1.17 c1ccc(cc1)C#CCN TS05672 [1,1,0,0,0,0|0,0,1]=3 1516 B10R1.17 c1ccc(cc1)C#CCO TS36664 [1,1,0,0,0,0|1,0,1]=4 1517 B10R1.17 c1ccc(cc1)C=CCBr TS53806 [1,1,0,0,0,0|1,0,1]=4 1518 B10R1.17 c1ccc(cc1)C=CCCl TS41222 [1,1,0,0,0,0|1,0,1]=4 1519 B10R1.17 c1ccc(cc1)C=CCO TS36831 [1,1,0,0,0,0|1,0,1]=4 1520 B10R1.17 c1ccc(cc1)CCC#N TS56176 [1,1,0,0,0,0|0,0,1]=3 1521 B10R1.17 c1ccc(cc1)CCC=O TS01796 [1,1,0,0,0,0|1,0,0]=3 1522 B10R1.17 c1ccc(cc1)CCCCl TS41470 [1,1,0,0,0,0|1,0,0]=3 1523 B10R1.17 c1ccc(cc1)CCCN TS36954 [1,1,0,0,0,0|0,0,0]=2 1524 B10R1.17 c1ccc(cc1)CCCO TS37013 [1,1,0,0,0,0|1,0,0]=3 1525 B10R1.17 c1ccc(cc1)CCCS TS41196 [1,1,0,0,0,0|1,0,0]=3 1526 B10R1.17 c1ccc(cc1)CCNN TS06106 [1,1,0,0,0,0|0,0,0]=2 1527 B10R1.17 c1ccc(cc1)CN=C=O TS36745 [1,1,0,0,0,0|1,0,1]=4 1528 B10R1.17 c1ccc(cc1)CN=C=S TS40764 [1,1,0,0,0,0|1,0,1]=4 1529 B10R1.17 c1ccc(cc1)CN=[N+]=[N-] TS36764 [1,1,0,0,0,0|1,0,1]=4 1530 B10R1.17 c1ccc(cc1)CNC=O TS36937 [1,1,0,0,0,0|1,0,1]=4 1531 B10R1.17 c1ccc(cc1)COC=O TS36984 [1,1,0,0,0,0|1,0,1]=4 1532 B10R1.17 c1ccc(cc1)COCCl TS39818 [1,1,0,0,0,0|1,0,0]=3 1533 B10R1.17 c1ccc(cc1)CSC#N TS07591 [1,1,0,0,0,0|0,0,2]=4 1534 B10R1.17 c1ccc(cc1)CSCBr TS22173 [1,1,0,0,0,0|1,0,0]=3 1535 B10R1.17 c1ccc(cc1)CSCCl TS13275 [1,1,0,0,0,0|1,0,0]=3 1536 B10R1.17 c1ccc(cc1)C[Se]C#N TS53598 [1,1,0,0,0,0|0,0,2]=4 1537 B10R1.17 c1ccc(cc1)NCCN TS37036 [1,1,0,0,0,0|0,0,0]=2 1538 B10R1.17 c1ccc(cc1)NCCO TS37110 [1,1,0,0,0,0|1,0,0]=3 1539 B10R1.17 c1ccc(cc1)OCC=O TS36991 [1,1,0,0,0,0|1,0,1]=4 1540 B10R1.17 c1ccc(cc1)OCCBr TS55768 [1,1,0,0,0,0|1,0,0]=3 1541 B10R1.17 c1ccc(cc1)OCCCl TS10798 [1,1,0,0,0,0|1,0,0]=3 1542 B10R1.17 c1ccc(cc1)OCCN TS65630 [1,1,0,0,0,0|0,0,0]=2 1543 B10R1.17 c1ccc(cc1)OCCO TS06243 [1,1,0,0,0,0|1,0,0]=3 1544 B10R1.17 c1ccc(cc1)SCC#N TS40766 [1,1,0,0,0,0|0,0,2]=4 1545 B10R1.17 c1ccc(cc1)SCCBr TS49223 [1,1,0,0,0,0|1,0,0]=3 1546 B10R1.17 c1ccc(cc1)SCCCl TS13277 [1,1,0,0,0,0|1,0,0]=3 1547 B10R1.17 c1ccc(cc1)SCCO TS10471 [1,1,0,0,0,0|1,0,0]=3 1548 B10R1.17 c1ccnc(c1)CCCCl TS10631 [1,1,0,0,0,0|2,0,0]=4 1549 B10R1.17 c1ccnc(c1)CCCO TS02471 [1,1,0,0,0,0|2,0,0]=4 1550 B10R1.17 c1ccnc(c1)NCCO TS45873 [1,1,0,0,0,0|2,0,0]=4 1551 B10R1.17 c1ccnc(c1)SCCO TS10597 [1,1,0,0,0,0|2,0,0]=4 1552 B10R1.17 c1cnccc1CCCN TS37023 [1,1,0,0,0,0|1,0,0]=3 1553 B10R1.17 c1cnccc1CCCO TS37120 [1,1,0,0,0,0|2,0,0]=4 1554 B10R1.17 c1cnccc1NCCN TS45706 [1,1,0,0,0,0|1,0,0]=3 1555 B10R1.18 B(Cc1ccccc1)(O)O TS01380 [1,1,0,0,0,0|2,0,0]=4 1556 B10R1.18 CC(=C)Cc1ccccc1 TS36701 [1,1,0,0,0,0|1,0,1]=4 1557 B10R1.18 CC(=O)Cc1ccccc1 TS36838 [1,1,0,0,0,0|1,0,1]=4 1558 B10R1.18 CC(C)Cc1ccccc1 TS74509 [1,1,0,0,0,0|1,0,0]=3 1559 B10R1.18 CC(C)Cc1ccccn1 TS36960 [1,1,0,0,0,0|2,0,0]=4 1560 B10R1.18 CC(C)Cc1cccnc1 TS06005 [1,1,0,0,0,0|2,0,0]=4 1561 B10R1.18 CC(C)Cc1ccncc1 TS06006 [1,1,0,0,0,0|2,0,0]=4 1562 B10R1.18 CC(C)Nc1ccccc1 TS56404 [1,1,0,0,0,0|2,0,0]=4 1563 B10R1.18 CC(C)Sc1ccccc1 TS41201 [1,1,0,0,0,0|2,0,0]=4 1564 B10R1.18 CC(Cc1ccccc1)Br TS55076 [1,1,0,0,0,0|1,0,0]=3 1565 B10R1.18 CC(Cc1ccccc1)N TS06010 [1,1,0,0,0,0|0,0,0]=2 1566 B10R1.18 CC(Cc1ccccc1)O TS47018 [1,1,0,0,0,0|1,0,0]=3 1567 B10R1.18 CC(Cc1ccccn1)N TS46983 [1,1,0,0,0,0|1,0,0]=3 1568 B10R1.18 CC(Cc1cccnc1)N TS00050 [1,1,0,0,0,0|1,0,0]=3 1569 B10R1.18 CN(C)Cc1ccccc1 TS06009 [1,1,0,0,0,0|2,0,0]=4 1570 B10R1.18 CN(C)Cc1ccccc1 TS45394 [1,1,0,0,0,0|2,0,0]=4 1571 B10R1.18 CS(=O)Cc1ccccc1 TS10469 [1,1,0,0,0,0|2,0,0]=4 1572 B10R1.18 C[C@@H](Cc1ccccc1)N TS36940 [1,1,0,0,0,0|0,0,0]=2 1573 B10R1.18 C[C@@H](Cc1ccccc1)N TS66757 [1,1,0,0,0,0|0,0,0]=2 1574 B10R1.18 C[SiH](C)Cc1ccccc1 TS40934 [1,1,0,0,0,0|1,1,0]=4 1575 B10R1.18 c1cc[n+](cc1)CC(=O)N TS45571 [1,1,0,0,0,0|1,0,1]=4 1576 B10R1.18 c1ccc(cc1)CC(=O)Cl TS59338 [1,1,0,0,0,0|1,0,1]=4 1577 B10R1.18 c1ccc(cc1)CC(=O)N TS36936 [1,1,0,0,0,0|0,0,1]=3 1578 B10R1.18 c1ccc(cc1)CC(=O)O TS06169 [1,1,0,0,0,0|1,0,1]=4 1579 B10R1.18 c1ccc(cc1)CC(=O)O TS37162 [1,1,0,0,0,0|1,0,1]=4 1580 B10R1.18 c1ccc(cc1)CC(=O)[O-] TS41860 [1,1,0,0,0,0|1,0,1]=4 1581 B10R1.18 c1ccc(cc1)CC(=O)[O-] TS45813 [1,1,0,0,0,0|1,0,1]=4 1582 B10R1.18 c1ccc(cc1)CC(=S)N TS41053 [1,1,0,0,0,0|0,0,1]=3 1583 B10R1.18 c1ccc(cc1)N=C(N)N TS53990 [1,1,0,0,0,0|1,0,1]=4 1584 B10R1.18 c1ccc(cc1)NC(=N)N TS53844 [1,1,0,0,0,0|1,0,1]=4 1585 B10R1.18 c1ccc(cc1)NC(=O)N TS06065 [1,1,0,0,0,0|1,0,1]=4 1586 B10R1.18 c1ccc(cc1)NC(=S)N TS41175 [1,1,0,0,0,0|1,0,1]=4 1587 B10R1.18 c1ccc(cc1)OC(=O)N TS06164 [1,1,0,0,0,0|1,0,1]=4 1588 B10R1.18 c1ccc(cc1)OC(F)F TS06920 [1,1,0,0,0,0|2,0,0]=4 1589 B10R1.18 c1ccc(cc1)[SiH2]C(Cl)Cl TS17240 [1,1,0,0,0,0|1,1,0]=4 1590 B10R1.18 c1ccnc(c1)CC(=O)N TS06050 [1,1,0,0,0,0|1,0,1]=4 1591 B10R1.18 c1cnccc1CC(=O)N TS36994 [1,1,0,0,0,0|1,0,1]=4 1592 B10R1.187 C1=CC(=O)N(C1=O)CCN TS63343 [0,1,0,0,1,0|2,0,0]=4 1593 B12R1.25 CCCOc1cccc(c1F)F TS13133 [0,2,0,0,0,0|1,1,0]=4 1594 B12R1.25 c1cc(c(c(c1)F)F)CCC#N TS43192 [0,2,0,0,0,0|0,1,1]=4 1595 B12R1.224 CC(C)Oc1cccc(c1O)Br TS25018 [0,2,0,0,0,0|2,0,0]=4 1596 B12R1.497 c1cc(c(c(c1N)CCO)F)F TS45593 [0,2,0,0,0,0|1,1,0]=4 1597 B12R1.13 COC(c1cccc(c1)Br)OC TS25016 [0,2,0,0,0,0|2,0,0]=4 1598 B12R1.13 c1cc(cc(c1)Br)C(C=O)C=O TS24307 [0,2,0,0,0,0|1,0,1]=4 1599 B12R1.17 CCCC(=O)c1cccc(c1)C TS42482 [0,2,0,0,0,0|2,0,0]=4 1600 B12R1.17 CCOC(=O)c1cccc(c1)Br TS08510 [0,2,0,0,0,0|1,0,1]=4 1601 B12R1.17 CNCC(=O)c1cccc(c1)O TS38166 [0,2,0,0,0,0|1,0,1]=4 1602 B12R1.17 CNCC(=O)c1cccc(c1)O TS62149 [0,2,0,0,0,0|1,0,1]=4 1603 B12R1.17 CNCC(c1cccc(c1)O)O TS38514 [0,2,0,0,0,0|1,0,0]=3 1604 B12R1.17 CNCC(c1cccc(c1)O)O TS43246 [0,2,0,0,0,0|1,0,0]=3 1605 B12R1.17 CNC[C@@H](c1cccc(c1)O)O TS33090 [0,2,0,0,0,0|1,0,0]=3 1606 B12R1.17 CNC[C@@H](c1cccc(c1)O)O TS61333 [0,2,0,0,0,0|1,0,0]=3 1607 B12R1.17 Cc1cccc(c1)C(CCO)N TS12058 [0,2,0,0,0,0|2,0,0]=4 1608 B12R1.17 c1cc(cc(c1)Br)C(=O)CC#N TS09484 [0,2,0,0,0,0|0,0,2]=4 1609 B12R1.17 c1cc(cc(c1)Br)C(CCO)N TS52950 [0,2,0,0,0,0|1,0,0]=3 1610 B12R1.17 c1cc(cc(c1)Cl)C(CCO)N TS48811 [0,2,0,0,0,0|1,1,0]=4 1611 B12R1.17 c1cc(cc(c1)F)C(CCO)N TS12684 [0,2,0,0,0,0|1,1,0]=4 1612 B12R1.17 c1cc(cc(c1)N)C(CCO)N TS43119 [0,2,0,0,0,0|2,0,0]=4 1613 B12R1.17 c1cc(cc(c1)O)C(CCO)N TS43252 [0,2,0,0,0,0|2,0,0]=4 1614 B12R1.225 CC(C(=O)c1cccc(c1)Br)Br TS35453 [0,2,0,0,0,0|1,0,1]=4 1615 B12R1.225 CC(C)[C@H](c1cccc(c1)F)N TS07982 [0,2,0,0,0,0|1,1,0]=4 1616 B12R1.225 CC(c1cccc(c1)Br)C(=O)O TS47050 [0,2,0,0,0,0|1,0,1]=4 1617 B12R1.225 C[C@@H]([C@@H](c1cccc(c1)O)O)N TS43239 [0,2,0,0,0,0|1,0,0]=3 1618 B12R1.225 C[C@@H]([C@@H](c1cccc(c1)O)O)N TS61334 [0,2,0,0,0,0|1,0,0]=3 1619 B12R1.225 c1cc(cc(c1)Br)C(C(=O)O)N TS24822 [0,2,0,0,0,0|1,0,1]=4 1620 B12R1.225 c1cc(cc(c1)Br)C(C(=O)O)O TS53115 [0,2,0,0,0,0|1,0,1]=4 1621 B12R1.354 CCC(=O)c1cc(ccc1N)Br TS24459 [0,2,0,0,0,0|1,0,1]=4 1622 B12R1.354 CCC(=O)c1cc(ccc1O)Br TS52798 [0,2,0,0,0,0|1,0,1]=4 1623 B12R1.354 CC[C@H](c1cc(ccc1C)C)N TS11748 [0,2,0,0,0,0|2,0,0]=4 1624 B12R1.354 c1cc(c(cc1Br)C(=O)CBr)O TS58432 [0,2,0,0,0,0|1,0,1]=4 1625 B12R1.367 CCC(=O)c1ccc(c(c1)Br)F TS25009 [0,2,0,0,0,0|1,0,1]=4 1626 B12R1.367 CCC(C)c1ccc(c(c1)O)N TS12077 [0,2,0,0,0,0|2,0,0]=4 1627 B12R1.367 c1cc(c(cc1C(=O)CN)Cl)Cl TS26602 [0,2,0,0,0,0|0,1,1]=4 1628 B12R1.367 c1cc(c(cc1C(=O)NN)Br)Cl TS27947 [0,2,0,0,0,0|1,0,1]=4 1629 B12R1.367 c1cc(c(cc1C(CCl)O)Cl)Cl TS24058 [0,2,0,0,0,0|1,1,0]=4 1630 B12R1.367 c1cc(c(cc1C(CN)O)O)O TS38882 [0,2,0,0,0,0|1,0,0]=3 1631 B12R1.367 c1cc(c(cc1C(CN)O)O)O TS45000 [0,2,0,0,0,0|1,0,0]=3 1632 B12R1.367 c1cc(c(cc1C(CO)Cl)Cl)Cl TS24059 [0,2,0,0,0,0|1,1,0]=4 1633 B12R1.367 c1cc(c(cc1[C@@H](CCl)O)Cl)Cl TS24056 [0,2,0,0,0,0|1,1,0]=4 1634 B12R1.367 c1cc(c(cc1[C@@H](CCl)O)F)F TS92962 [0,2,0,0,0,0|1,1,0]=4 1635 B12R1.367 c1cc(c(cc1[C@H](CN)O)O)O TS38881 [0,2,0,0,0,0|1,0,0]=3 1636 B12R1.435 COc1cccc(c1)C(CN)O TS38508 [0,2,0,0,0,0|1,0,0]=3 1637 B12R1.28 CCCCCc1cccc(c1)O TS42792 [0,2,0,0,0,0|2,0,0]=4 1638 B12R1.28 CCCCNc1cccc(c1)C TS11758 [0,2,0,0,0,0|2,0,0]=4 1639 B12R1.28 CCCCOc1cccc(c1)O TS12260 [0,2,0,0,0,0|2,0,0]=4 1640 B12R1.28 Cc1cccc(c1)NCCC#N TS11287 [0,2,0,0,0,0|1,0,1]=4 1641 B12R1.28 Cc1cccc(c1)OCCCBr TS24687 [0,2,0,0,0,0|2,0,0]=4 1642 B12R1.50 c1cc(cc(c1)Cl)CC(=O)NN TS48671 [0,2,0,0,0,0|0,1,1]=4 1643 B12R1.100 Cc1cc(cc(c1)SCCO)C TS15029 [0,2,0,0,0,0|2,0,0]=4 1644 B12R1.100 c1c(cc(cc1Cl)Cl)SCCO TS50273 [0,2,0,0,0,0|1,1,0]=4 1645 B12R1.226 Cc1cccc(c1)CCC(=O)O TS11878 [0,2,0,0,0,0|2,0,0]=4 1646 B12R1.226 Cc1cccc(c1)OCC(=O)N TS12004 [0,2,0,0,0,0|1,0,1]=4 1647 B12R1.226 Cc1cccc(c1)OCC(C)O TS43103 [0,2,0,0,0,0|2,0,0]=4 1648 B12R1.226 c1cc(cc(c1)Br)CCC(=O)O TS09412 [0,2,0,0,0,0|1,0,0]=3 1649 B12R1.226 c1cc(cc(c1)Cl)OCC(=O)N TS15520 [0,2,0,0,0,0|0,1,1]=4 1650 B12R1.226 c1cc(cc(c1)F)CCC(=O)O TS44844 [0,2,0,0,0,0|1,1,0]=4 1651 B12R1.226 c1cc(cc(c1)I)CCC(=O)O TS31076 [0,2,0,0,0,0|1,1,0]=4 1652 B12R1.226 c1cc(cc(c1)I)CNC(=N)N TS80094 [0,2,0,0,0,0|0,1,1]=4 1653 B12R1.226 c1cc(cc(c1)N)CCC(=O)O TS09411 [0,2,0,0,0,0|2,0,0]=4 1654 B12R1.226 c1cc(cc(c1)N)CCC(=O)O TS19280 [0,2,0,0,0,0|2,0,0]=4 1655 B12R1.226 c1cc(cc(c1)O)CCC(=O)O TS43037 [0,2,0,0,0,0|2,0,0]=4 1656 B12R1.374 Cc1ccc(c(c1)SCCO)C TS15031 [0,2,0,0,0,0|2,0,0]=4 1657 B12R1.382 CNc1cccc(c1)CCCO TS02840 [0,2,0,0,0,0|2,0,0]=4 1658 B12R1.382 COc1cccc(c1)CCCN TS42939 [0,2,0,0,0,0|1,0,0]=3 1659 B12R1.382 COc1cccc(c1)CCCO TS12259 [0,2,0,0,0,0|2,0,0]=4 1660 B12R1.382 COc1cccc(c1)OCCBr TS25022 [0,2,0,0,0,0|2,0,0]=4 1661 B12R1.382 c1cc(cc(c1)OCCO)C=O TS12164 [0,2,0,0,0,0|2,0,0]=4 1662 B12R1.385 CCCCc1ccc(c(c1)C)I TS74425 [0,2,0,0,0,0|2,0,0]=4 1663 B12R1.385 CCCCc1ccc(c(c1)C)N TS42636 [0,2,0,0,0,0|2,0,0]=4 1664 B12R1.385 CCCCc1ccc(c(c1)O)O TS12262 [0,2,0,0,0,0|2,0,0]=4 1665 B12R1.385 CCCOc1ccc(c(c1)N)N TS39514 [0,2,0,0,0,0|2,0,0]=4 1666 B12R1.385 CCCSc1ccc(c(c1)N)N TS15035 [0,2,0,0,0,0|2,0,0]=4 1667 B12R1.385 CNCCc1ccc(c(c1)O)O TS01599 [0,2,0,0,0,0|1,0,0]=3 1668 B12R1.385 Cc1ccc(cc1C)SCCO TS15033 [0,2,0,0,0,0|2,0,0]=4 1669 B12R1.385 Cc1ccc(cc1O)NCCO TS43243 [0,2,0,0,0,0|2,0,0]=4 1670 B12R1.385 c1cc(c(cc1OCCO)O)O TS12783 [0,2,0,0,0,0|2,0,0]=4 1671 B12R1.44 CCCc1cc(c(c(c1)Br)N)Br TS58341 [0,2,0,0,0,0|1,0,0]=3 1672 B12R1.44 c1c(cc(c(c1O)O)O)CCN TS38880 [0,2,0,0,0,0|1,0,0]=3 1673 B12R1.101 Cc1cc(cc(c1)CC(=N)N)C TS42492 [0,2,0,0,0,0|1,0,1]=4 1674 B12R1.101 c1c(cc(cc1Br)Br)CC(=O)O TS58431 [0,2,0,0,0,0|1,0,1]=4 1675 B12R1.19 c1cc(c(cc1CC(=O)N)O)O TS43207 [0,2,0,0,0,0|1,0,1]=4 1676 B12R1.19 c1cc(c(cc1CC(=O)O)Br)F TS09449 [0,2,0,0,0,0|1,0,1]=4 1677 B12R1.19 c1cc(c(cc1CC(=O)O)Br)O TS09452 [0,2,0,0,0,0|1,0,1]=4 1678 B12R1.119 c1cc(cc(c1)Br)CS(=O)(=O)Cl TS09490 [0,2,0,0,0,0|2,0,0]=4 1679 B12R1.119 c1cc(cc(c1)Br)OC(F)(F)F TS02508 [0,2,0,0,0,0|2,0,0]=4 1680 B12R1.119 c1cc(cc(c1)Br)OC(F)(F)F TS08879 [0,2,0,0,0,0|2,0,0]=4 1681 B12R1.119 c1cc(cc(c1)Br)SC(F)(F)F TS29011 [0,2,0,0,0,0|2,0,0]=4 1682 B12R1.127 Cc1ccc(c(c1)CC(C)C)C TS42510 [0,2,0,0,0,0|2,0,0]=4 1683 B12R1.127 c1cc(c(cc1Br)CC(=O)O)F TS53408 [0,2,0,0,0,0|1,0,1]=4 1684 B12R1.438 COc1cccc(c1)CC(=N)N TS42767 [0,2,0,0,0,0|1,0,1]=4 1685 B12R1.438 COc1cccc(c1)CC(=O)N TS42908 [0,2,0,0,0,0|1,0,1]=4 1686 B12R1.438 c1cc(cc(c1)OC(F)F)CBr TS65700 [0,2,0,0,0,0|2,0,0]=4 1687 B12R1.268 COc1ccc(cc1CC#N)Br TS24107 [0,2,0,0,0,0|0,0,2]=4 1688 B12R1.268 COc1ccc(cc1CCN)Br TS76464 [0,2,0,0,0,0|0,0,0]=2 1689 B12R1.268 COc1ccc(cc1CCN)F TS38898 [0,2,0,0,0,0|0,1,0]=3 1690 B12R1.1123 c1c(c(cc(c1F)F)F)CCO TS13782 [0,2,0,0,0,0|1,1,0]=4 1691 B12R1.1123 c1c(c(cc(c1O)O)O)CCN TS27983 [0,2,0,0,0,0|1,0,0]=3 1692 B12R1.1123 c1c(c(cc(c1O)O)O)CCN TS38879 [0,2,0,0,0,0|1,0,0]=3 1693 B12R1.279 CN(C)c1cccc(c1)CCO TS42941 [0,2,0,0,0,0|2,0,0]=4 1694 B12R1.279 c1cc(cc(c1)[N+](=O)[O-])CCN TS02868 [0,2,0,0,0,0|1,0,0]=3 1695 B12R1.279 c1cc(cc(c1)[N+](=O)[O-])CCN TS16745 [0,2,0,0,0,0|1,0,0]=3 1696 B12R1.279 c1cc(cc(c1)[N+](=O)[O-])CCO TS43208 [0,2,0,0,0,0|2,0,0]=4 1697 B12R1.286 CCCc1ccc(c(c1)OC)O TS12255 [0,2,0,0,0,0|2,0,0]=4 1698 B12R1.286 COc1cc(ccc1O)CCN TS22775 [0,2,0,0,0,0|1,0,0]=3 1699 B12R1.286 COc1cc(ccc1O)CCN TS22835 [0,2,0,0,0,0|1,0,0]=3 1700 B12R1.286 COc1cc(ccc1O)CCO TS03115 [0,2,0,0,0,0|2,0,0]=4 1701 B12R1.288 COc1ccc(cc1Br)CC#N TS24106 [0,2,0,0,0,0|0,0,2]=4 1702 B12R1.288 COc1ccc(cc1Br)CCN TS52949 [0,2,0,0,0,0|0,0,0]=2 1703 B12R1.288 COc1ccc(cc1Cl)CCN TS15528 [0,2,0,0,0,0|0,1,0]=3 1704 B12R1.288 COc1ccc(cc1F)CCO TS45118 [0,2,0,0,0,0|1,1,0]=4 1705 B12R1.288 COc1ccc(cc1O)CCN TS38507 [0,2,0,0,0,0|1,0,0]=3 1706 B10R1.25 c1cc(c(cc1Br)F)CN TS00009 [0,0,1,1,0,0|1,0,1]=4 1707 B10R1.25 c1cc(c(cc1Br)F)CN TS26597 [0,0,1,1,0,0|1,0,1]=4 1708 B10R2.68 c1cc2c(c(c1)Br)CC2 TS09593 [1,0,0,1,0,0|0,0,0]=2 1709 B10R2.68 c1cc2c(c(c1)N)CC2 TS70910 [1,0,0,1,0,0|1,0,0]=3 1710 B10R2.6 c1ccc(cc1)C2CC2 TS32348 [1,0,0,1,0,0|1,0,0]=3 1711 B10R2.6 c1ccc(cc1)C2CO2 TS04809 [1,0,0,1,0,0|1,0,0]=3 1712 B10R2.6 c1ccc(cc1)[C@@H]2CO2 TS59486 [1,0,0,1,0,0|1,0,0]=3 1713 B10R2.6 c1ccc(cc1)[C@H]2CO2 TS59491 [1,0,0,1,0,0|1,0,0]=3 1714 B10R2.7 c1cc2c(nc1)CCC2 TS00545 [1,0,0,1,0,0|2,0,0]=4 1715 B10R2.7 c1cc2c(nc1)NCC2 TS55646 [1,0,0,1,0,0|1,0,0]=3 1716 B10R2.7 c1ccc2c(c1)CC=C2 TS21648 [1,0,0,1,0,0|1,0,1]=4 1717 B10R2.7 c1ccc2c(c1)CC=C2 TS39603 [1,0,0,1,0,0|1,0,1]=4 1718 B10R2.7 c1ccc2c(c1)CCC2 TS77139 [1,0,0,1,0,0|1,0,0]=3 1719 B10R2.7 c1ccc2c(c1)CCN2 TS00565 [1,0,0,1,0,0|0,0,0]=2 1720 B10R2.7 c1ccc2c(c1)CCO2 TS00572 [1,0,0,1,0,0|1,0,0]=3 1721 B10R2.7 c1ccc2c(c1)CNN2 TS04812 [1,0,0,1,0,0|1,0,0]=3 1722 B10R2.7 c1ccc2c(c1)COC2 TS04810 [1,0,0,1,0,0|2,0,0]=4 1723 B10R2.7 c1ccc2c(c1)NCN2 TS04813 [1,0,0,1,0,0|1,0,0]=3 1724 B10R2.7 c1ccc2c(c1)OCO2 TS39811 [1,0,0,1,0,0|2,0,0]=4 1725 B10R2.7 c1ccc2c(c1)SCS2 TS26450 [1,0,0,1,0,0|2,0,0]=4 1726 B10R2.7 c1ccc2c(c1)[nH]cn2 TS04721 [1,0,0,1,0,0|1,0,1]=4 1727 B10R2.7 c1ccc2c(c1)[nH]nn2 TS04780 [1,0,0,1,0,0|2,0,0]=4 1728 B10R2.7 c1ccc2c(c1)cc[nH]2 TS59671 [1,0,0,1,0,0|0,0,2]=4 1729 B10R2.7 c1ccc2c(c1)cn[nH]2 TS04722 [1,0,0,1,0,0|1,0,1]=4 1730 B10R2.7 c1ccc2c(c1)cn[nH]2 TS72162 [1,0,0,1,0,0|1,0,1]=4 1731 B10R2.320 c1ccc2c(c1)CC2=O TS55758 [1,0,0,1,0,0|1,0,1]=4 1732 B10R2.320 c1ccc2c(c1)CC2Br TS48022 [1,0,0,1,0,0|1,0,0]=3 1733 B12R2.82 Cc1c(ccc2c1cn[nH]2)Br TS87074 [0,1,0,1,0,0|1,0,1]=4 1734 B12R2.82 c1cc2c(c(c1N)Br)[nH]cn2 TS21245 [0,1,0,1,0,0|1,0,1]=4 1735 B12R2.202 c1cc2c(c(c1)Br)CC(=O)C2 TS21068 [0,1,0,1,0,0|1,0,1]=4 1736 B12R2.202 c1cc2c(c(c1)Br)NC(=O)C2 TS21232 [0,1,0,1,0,0|0,0,1]=3 1737 B12R2.202 c1cc2c(c(c1)Br)[nH]c(=O)s2 TS09581 [0,1,0,1,0,0|1,0,1]=4 1738 B12R2.202 c1cc2c(c(c1)Br)nc(s2)N TS24671 [0,1,0,1,0,0|1,0,1]=4 1739 B12R2.202 c1cc2c(c(c1)F)NC(=O)C2 TS40986 [0,1,0,1,0,0|0,1,1]=4 1740 B12R2.202 c1cc2c(cc(s2)N)c(c1)Br TS92009 [0,1,0,1,0,0|1,0,1]=4 1741 B12R2.202 c1cc2cc(sc2c(c1)Br)N TS85914 [0,1,0,1,0,0|0,0,2]=4 1742 B12R2.1081 Cc1cccc2c1CCCC2 TS40462 [0,1,0,1,0,0|2,0,0]=4 1743 B12R2.1081 Cc1cccc2c1CCCN2 TS48500 [0,1,0,1,0,0|2,0,0]=4 1744 B12R2.1081 Cc1cccc2c1CCNC2 TS15210 [0,1,0,1,0,0|2,0,0]=4 1745 B12R2.1081 Cc1cccc2c1NCCC2 TS01868 [0,1,0,1,0,0|1,0,0]=3 1746 B12R2.1081 Cc1cccc2c1OCCN2 TS15531 [0,1,0,1,0,0|2,0,0]=4 1747 B12R2.1081 c1c2c(c(cn1)Br)CCCN2 TS94366 [0,1,0,1,0,0|2,0,0]=4 1748 B12R2.1081 c1c2c(c(cn1)Br)NCCC2 TS90063 [0,1,0,1,0,0|1,0,0]=3 1749 B12R2.1081 c1cc(c2c(c1)NCCC2)N TS40664 [0,1,0,1,0,0|2,0,0]=4 1750 B12R2.1081 c1cc(c2c(c1)OCCO2)N TS00570 [0,1,0,1,0,0|2,0,0]=4 1751 B12R2.1081 c1cc2c(c(c1)Br)CCCN2 TS02060 [0,1,0,1,0,0|1,0,0]=3 1752 B12R2.1081 c1cc2c(c(c1)Br)CCCO2 TS21453 [0,1,0,1,0,0|1,0,0]=3 1753 B12R2.1081 c1cc2c(c(c1)Br)CCNC2 TS32800 [0,1,0,1,0,0|1,0,0]=3 1754 B12R2.1081 c1cc2c(c(c1)Br)CCNC2 TS88532 [0,1,0,1,0,0|1,0,0]=3 1755 B12R2.1081 c1cc2c(c(c1)Br)CNCC2 TS90020 [0,1,0,1,0,0|0,0,0]=2 1756 B12R2.1081 c1cc2c(c(c1)Br)OCCN2 TS28105 [0,1,0,1,0,0|1,0,0]=3 1757 B12R2.1081 c1cc2c(c(c1)Cl)CCCN2 TS38538 [0,1,0,1,0,0|1,1,0]=4 1758 B12R2.1081 c1cc2c(c(c1)Cl)CCNC2 TS38535 [0,1,0,1,0,0|1,1,0]=4 1759 B12R2.1081 c1cc2c(c(c1)Cl)CNCC2 TS38539 [0,1,0,1,0,0|0,1,0]=3 1760 B12R2.1081 c1cc2c(c(c1)Cl)CNCC2 TS43287 [0,1,0,1,0,0|0,1,0]=3 1761 B12R2.1081 c1cc2c(c(c1)F)CCCN2 TS50633 [0,1,0,1,0,0|1,1,0]=4 1762 B12R2.1081 c1cc2c(c(c1)F)OCCN2 TS55703 [0,1,0,1,0,0|1,1,0]=4 1763 B12R2.1081 c1cc2c(c(c1)I)CCNC2 TS35827 [0,1,0,1,0,0|1,1,0]=4 1764 B12R2.1081 c1cc2c(c(c1)N)CCCC2 TS16958 [0,1,0,1,0,0|2,0,0]=4 1765 B12R2.1081 c1cc2c(c(c1)N)CCNC2 TS40666 [0,1,0,1,0,0|2,0,0]=4 1766 B12R2.1081 c1cc2c(c(c1)N)NCCC2 TS40683 [0,1,0,1,0,0|1,0,0]=3 1767 B12R2.1081 c1cc2c(c(c1)O)CCCC2 TS07482 [0,1,0,1,0,0|2,0,0]=4 1768 B12R2.1081 c1cc2c(c(c1)O)NCCC2 TS55705 [0,1,0,1,0,0|1,0,0]=3 1769 B12R2.1081 c1cc2c(c(c1)O)OCCN2 TS59995 [0,1,0,1,0,0|2,0,0]=4 1770 B12R2.132 Cc1c2cc(ccc2[nH]n1)Br TS16992 [0,1,0,1,0,0|1,0,1]=4 1771 B12R2.132 Cc1c2cc(ccc2[nH]n1)Br TS85407 [0,1,0,1,0,0|1,0,1]=4 1772 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 TS55541 [0,1,0,1,0,0|1,0,1]=4 1773 B12R2.132 c1cc2c(cc1Br)C(=O)CN2 TS21234 [0,1,0,1,0,0|0,0,1]=3 1774 B12R2.132 c1cc2c(cc1Br)C(=O)CO2 TS55555 [0,1,0,1,0,0|1,0,1]=4 1775 B12R2.132 c1cc2c(cc1Br)C(CO2)N TS94367 [0,1,0,1,0,0|1,0,0]=3 1776 B12R2.132 c1cc2c(cc1Br)[C@@H](CC2)N TS86271 [0,1,0,1,0,0|1,0,0]=3 1777 B12R2.132 c1cc2c(cc1Br)[C@H](CC2)N TS86272 [0,1,0,1,0,0|1,0,0]=3 1778 B12R2.132 c1cc2c(cc1Br)c(c[nH]2)Br TS33658 [0,1,0,1,0,0|0,0,2]=4 1779 B12R2.132 c1cc2c(cc1Br)c(c[nH]2)N TS02063 [0,1,0,1,0,0|0,0,2]=4 1780 B12R2.132 c1cc2c(cc1Br)c(n[nH]2)Br TS02565 [0,1,0,1,0,0|1,0,1]=4 1781 B12R2.132 c1cc2c(cc1Br)c(n[nH]2)Cl TS25113 [0,1,0,1,0,0|1,0,1]=4 1782 B12R2.132 c1cc2c(cc1Br)c(n[nH]2)I TS16989 [0,1,0,1,0,0|1,0,1]=4 1783 B12R2.132 c1cc2c(cc1Br)c(n[nH]2)N TS32653 [0,1,0,1,0,0|1,0,1]=4 1784 B12R2.132 c1cc2c(cc1Cl)C(CC2)N TS60095 [0,1,0,1,0,0|1,1,0]=4 1785 B12R2.132 c1cc2c(cc1Cl)C(CO2)N TS12727 [0,1,0,1,0,0|1,1,0]=4 1786 B12R2.132 c1cc2c(cc1Cl)C(CO2)N TS20097 [0,1,0,1,0,0|1,1,0]=4 1787 B12R2.132 c1cc2c(cc1F)C(CC2)N TS50631 [0,1,0,1,0,0|1,1,0]=4 1788 B12R2.132 c1cc2c(cc1F)[C@@H](CC2)N TS10054 [0,1,0,1,0,0|1,1,0]=4 1789 B12R2.132 c1cc2c(cc1O)[C@@H](CC2)N TS90694 [0,1,0,1,0,0|2,0,0]=4 1790 B12R2.132 c1cc2c(cc1O)[C@H](CC2)N TS91190 [0,1,0,1,0,0|2,0,0]=4 1791 B12R2.196 Cc1c2cccc(c2[nH]n1)Br TS90467 [0,1,0,1,0,0|1,0,1]=4 1792 B12R2.196 c1cc2c(c(c1)Br)CCC2=O TS70950 [0,1,0,1,0,0|1,0,1]=4 1793 B12R2.196 c1cc2c(c(c1)Br)[nH]nc2Cl TS46954 [0,1,0,1,0,0|1,0,1]=4 1794 B12R2.196 c1cc2c(c(c1)Br)[nH]nc2I TS90827 [0,1,0,1,0,0|1,0,1]=4 1795 B12R2.196 c1cc2c(c(c1)Br)[nH]nc2N TS87501 [0,1,0,1,0,0|1,0,1]=4 1796 B12R2.196 c1cc2c(c(c1)Br)[nH]nc2O TS44290 [0,1,0,1,0,0|1,0,1]=4 1797 B12R2.196 c1cc2c(c(c1)Cl)CCC2N TS38540 [0,1,0,1,0,0|1,1,0]=4 1798 B12R2.196 c1cc2c(c(c1)F)CCC2N TS50630 [0,1,0,1,0,0|1,1,0]=4 1799 B12R2.196 c1cc2c(c(c1)F)CC[C@@H]2N TS10051 [0,1,0,1,0,0|1,1,0]=4 1800 B12R2.1282 Cc1cccc(c1)C2(CC2)N TS40562 [0,1,0,1,0,0|2,0,0]=4 1801 B12R2.1282 c1c(cncc1Br)C2(CC2)N TS91362 [0,1,0,1,0,0|2,0,0]=4 1802 B12R2.1282 c1cc(cc(c1)Br)C2(CC2)N TS44122 [0,1,0,1,0,0|1,0,0]=3 1803 B12R2.1282 c1cc(cc(c1)F)C2(CC2)N TS10055 [0,1,0,1,0,0|1,1,0]=4 1804 B12R2.1282 c1cc(cc(c1)F)C2(CC2)N TS50632 [0,1,0,1,0,0|1,1,0]=4 1805 B12R2.2313 c1cc(cc(c1)Br)C2COC2 TS91734 [0,1,0,1,0,0|1,0,0]=3 1806 B12R2.24 Cc1ccc2c(c1)CCCC2 TS07265 [0,1,0,1,0,0|2,0,0]=4 1807 B12R2.24 Cc1ccc2c(c1)CCCN2 TS46763 [0,1,0,1,0,0|1,0,0]=3 1808 B12R2.24 Cc1ccc2c(c1)CCNC2 TS85130 [0,1,0,1,0,0|1,0,0]=3 1809 B12R2.24 Cc1ccc2c(c1)CNCC2 TS15211 [0,1,0,1,0,0|2,0,0]=4 1810 B12R2.24 Cc1ccc2c(c1)CNCC2 TS55689 [0,1,0,1,0,0|2,0,0]=4 1811 B12R2.24 Cc1ccc2c(c1)NCCC2 TS15213 [0,1,0,1,0,0|2,0,0]=4 1812 B12R2.24 Cc1ccc2c(c1)NCCO2 TS48809 [0,1,0,1,0,0|2,0,0]=4 1813 B12R2.24 c1c(cnc2c1CCNC2)Br TS86787 [0,1,0,1,0,0|1,0,0]=3 1814 B12R2.24 c1c(cnc2c1CNCC2)Br TS21456 [0,1,0,1,0,0|2,0,0]=4 1815 B12R2.24 c1cc(nc2c1CNCC2)Cl TS00905 [0,1,0,1,0,0|1,1,0]=4 1816 B12R2.24 c1cc2c(cc1Br)C=CCC2 TS20693 [0,1,0,1,0,0|1,0,1]=4 1817 B12R2.24 c1cc2c(cc1Br)CCCN2 TS86204 [0,1,0,1,0,0|0,0,0]=2 1818 B12R2.24 c1cc2c(cc1Br)CCCO2 TS21450 [0,1,0,1,0,0|1,0,0]=3 1819 B12R2.24 c1cc2c(cc1Br)CCNC2 TS27817 [0,1,0,1,0,0|0,0,0]=2 1820 B12R2.24 c1cc2c(cc1Br)CCNC2 TS90722 [0,1,0,1,0,0|0,0,0]=2 1821 B12R2.24 c1cc2c(cc1Br)CNCC2 TS55650 [0,1,0,1,0,0|1,0,0]=3 1822 B12R2.24 c1cc2c(cc1Br)CNCC2 TS55651 [0,1,0,1,0,0|1,0,0]=3 1823 B12R2.24 c1cc2c(cc1Br)NCCC2 TS55652 [0,1,0,1,0,0|1,0,0]=3 1824 B12R2.24 c1cc2c(cc1Br)NCCO2 TS28106 [0,1,0,1,0,0|1,0,0]=3 1825 B12R2.24 c1cc2c(cc1Br)OCCO2 TS55535 [0,1,0,1,0,0|1,0,0]=3 1826 B12R2.24 c1cc2c(cc1Br)OCOC2 TS44635 [0,1,0,1,0,0|2,0,0]=4 1827 B12R2.24 c1cc2c(cc1Cl)CCNC2 TS00906 [0,1,0,1,0,0|0,1,0]=3 1828 B12R2.24 c1cc2c(cc1Cl)CCNC2 TS60093 [0,1,0,1,0,0|0,1,0]=3 1829 B12R2.24 c1cc2c(cc1Cl)NCCC2 TS38541 [0,1,0,1,0,0|1,1,0]=4 1830 B12R2.24 c1cc2c(cc1Cl)NCCO2 TS20095 [0,1,0,1,0,0|1,1,0]=4 1831 B12R2.24 c1cc2c(cc1F)CCNC2 TS10052 [0,1,0,1,0,0|0,1,0]=3 1832 B12R2.24 c1cc2c(cc1F)CCNC2 TS59734 [0,1,0,1,0,0|0,1,0]=3 1833 B12R2.24 c1cc2c(cc1F)CNCC2 TS10056 [0,1,0,1,0,0|1,1,0]=4 1834 B12R2.24 c1cc2c(cc1F)CNCC2 TS85147 [0,1,0,1,0,0|1,1,0]=4 1835 B12R2.24 c1cc2c(cc1F)NCCO2 TS46567 [0,1,0,1,0,0|1,1,0]=4 1836 B12R2.24 c1cc2c(cc1I)CNCC2 TS35828 [0,1,0,1,0,0|1,1,0]=4 1837 B12R2.24 c1cc2c(cc1I)OCCO2 TS29737 [0,1,0,1,0,0|1,1,0]=4 1838 B12R2.24 c1cc2c(cc1N)CCCC2 TS40565 [0,1,0,1,0,0|2,0,0]=4 1839 B12R2.24 c1cc2c(cc1N)CNCC2 TS40670 [0,1,0,1,0,0|2,0,0]=4 1840 B12R2.24 c1cc2c(cc1N)NCCC2 TS01293 [0,1,0,1,0,0|2,0,0]=4 1841 B12R2.24 c1cc2c(cc1N)OCCO2 TS39221 [0,1,0,1,0,0|2,0,0]=4 1842 B12R2.24 c1cc2c(cc1O)CCCC2 TS16959 [0,1,0,1,0,0|2,0,0]=4 1843 B12R2.24 c1cc2c(cc1O)CCCC2 TS94705 [0,1,0,1,0,0|2,0,0]=4 1844 B12R2.24 c1cc2c(cc1O)CCCN2 TS01238 [0,1,0,1,0,0|1,0,0]=3 1845 B12R2.24 c1cc2c(cc1O)CCNC2 TS46766 [0,1,0,1,0,0|1,0,0]=3 1846 B12R2.24 c1cc2c(cc1O)CCNC2 TS52947 [0,1,0,1,0,0|1,0,0]=3 1847 B12R2.24 c1cc2c(cc1O)OCCO2 TS40005 [0,1,0,1,0,0|2,0,0]=4 1848 B12R2.203 Cc1cccc2c1C(=O)CC2 TS07220 [0,1,0,1,0,0|2,0,0]=4 1849 B12R2.203 Cn1c2c(cccc2Br)cn1 TS91630 [0,1,0,1,0,0|1,0,1]=4 1850 B12R2.203 c1cc2c(c(c1)Br)C(=O)CC2 TS16489 [0,1,0,1,0,0|1,0,0]=3 1851 B12R2.203 c1cc2c(c(c1)Br)C(=O)CO2 TS44284 [0,1,0,1,0,0|1,0,1]=4 1852 B12R2.203 c1cc2c(c(c1)Br)C(=O)NC2 TS21237 [0,1,0,1,0,0|1,0,1]=4 1853 B12R2.203 c1cc2c(c(c1)Br)c(n[nH]2)N TS86276 [0,1,0,1,0,0|1,0,1]=4 1854 B12R2.203 c1cc2c(c(c1)Cl)C(=O)CC2 TS12305 [0,1,0,1,0,0|1,1,0]=4 1855 B12R2.203 c1cc2c(c(c1)F)C(=O)CC2 TS16516 [0,1,0,1,0,0|1,1,0]=4 1856 B12R2.203 c1cc2c(c(c1)I)C(=O)CC2 TS00569 [0,1,0,1,0,0|1,1,0]=4 1857 B12R2.203 c1cc2c(c(c1)N)C(=O)CC2 TS40530 [0,1,0,1,0,0|2,0,0]=4 1858 B12R2.203 c1cc2c(c(c1)O)C(=O)CC2 TS85148 [0,1,0,1,0,0|2,0,0]=4 1859 B12R2.612 C[C@@H]1c2ccc(cc2CN1)Br TS93564 [0,1,0,1,0,0|1,0,0]=3 1860 B12R2.612 Cc1ccc2c(c1)CCC2=O TS55480 [0,1,0,1,0,0|2,0,0]=4 1861 B12R2.612 Cn1c2ccc(cc2cn1)Br TS88567 [0,1,0,1,0,0|1,0,1]=4 1862 B12R2.612 Cn1ccc2c1ccc(c2)Br TS71397 [0,1,0,1,0,0|0,0,2]=4 1863 B12R2.612 c1cc2c(cc1Br)CCC2=O TS71462 [0,1,0,1,0,0|1,0,0]=3 1864 B12R2.612 c1cc2c(cc1Br)CNC2=O TS16971 [0,1,0,1,0,0|1,0,1]=4 1865 B12R2.612 c1cc2c(cc1Br)COC2=O TS03244 [0,1,0,1,0,0|1,0,1]=4 1866 B12R2.612 c1cc2c(cc1Br)OCC2=O TS22924 [0,1,0,1,0,0|1,0,1]=4 1867 B12R2.612 c1cc2c(cc1Br)[nH]nc2N TS85079 [0,1,0,1,0,0|1,0,1]=4 1868 B12R2.612 c1cc2c(cc1Cl)CCC2=O TS09822 [0,1,0,1,0,0|1,1,0]=4 1869 B12R2.612 c1cc2c(cc1F)CCC2=O TS71530 [0,1,0,1,0,0|1,1,0]=4 1870 B12R2.612 c1cc2c(cc1I)CCC2=O TS68075 [0,1,0,1,0,0|1,1,0]=4 1871 B12R2.612 c1cc2c(cc1N)CCC2=O TS71374 [0,1,0,1,0,0|2,0,0]=4 1872 B12R2.612 c1cc2c(cc1O)CCC2=O TS71567 [0,1,0,1,0,0|2,0,0]=4 1873 B12R2.246 Cc1cc(cc2c1[nH]nc2)Br TS71452 [0,1,0,1,0,0|1,0,1]=4 1874 B12R2.246 Cc1cc2cn[nH]c2c(c1)Br TS21074 [0,1,0,1,0,0|1,0,1]=4 1875 B12R2.246 c1c(cc(c2c1CCN2)F)F TS17375 [0,1,0,1,0,0|0,1,0]=3 1876 B12R2.246 c1c(cc(c2c1CCO2)Br)Br TS31289 [0,1,0,1,0,0|1,0,0]=3 1877 B12R2.246 c1c(cc(c2c1CCO2)F)F TS10658 [0,1,0,1,0,0|1,1,0]=4 1878 B12R2.246 c1c(cc(c2c1cn[nH]2)Br)Br TS33185 [0,1,0,1,0,0|1,0,1]=4 1879 B12R2.246 c1c(cc(c2c1cn[nH]2)N)Br TS88656 [0,1,0,1,0,0|1,0,1]=4 1880 B12R2.246 c1c[nH]c2c1cc(cc2F)Br TS85572 [0,1,0,1,0,0|0,0,2]=4 1881 B12R2.606 Cc1cc2cc(ccc2[nH]1)Br TS20836 [0,1,0,1,0,0|0,0,2]=4 1882 B12R2.606 c1c(cnc2c1CC(=O)N2)Br TS03246 [0,1,0,1,0,0|1,0,1]=4 1883 B12R2.606 c1c2c(cnc1Br)NC(=O)C2 TS90064 [0,1,0,1,0,0|1,0,1]=4 1884 B12R2.606 c1cc(cc2c1cc(s2)N)Br TS89765 [0,1,0,1,0,0|1,0,1]=4 1885 B12R2.606 c1cc(nc2c1NC(=O)C2)Br TS85624 [0,1,0,1,0,0|1,0,1]=4 1886 B12R2.606 c1cc2c(cc1Br)CC(=O)C2 TS03251 [0,1,0,1,0,0|1,0,1]=4 1887 B12R2.606 c1cc2c(cc1Br)CC(=O)N2 TS09811 [0,1,0,1,0,0|0,0,1]=3 1888 B12R2.606 c1cc2c(cc1Br)CC(C2)N TS71463 [0,1,0,1,0,0|0,0,0]=2 1889 B12R2.606 c1cc2c(cc1Br)CC(C2)O TS59904 [0,1,0,1,0,0|1,0,0]=3 1890 B12R2.606 c1cc2c(cc1Br)[nH]c(=O)[nH]2 TS03247 [0,1,0,1,0,0|1,0,1]=4 1891 B12R2.606 c1cc2c(cc1Br)cc(s2)N TS86825 [0,1,0,1,0,0|0,0,2]=4 1892 B12R2.606 c1cc2c(cc1Br)nc(o2)N TS44292 [0,1,0,1,0,0|1,0,1]=4 1893 B12R2.606 c1cc2c(cc1Br)nc(s2)N TS47428 [0,1,0,1,0,0|1,0,1]=4 1894 B12R2.606 c1cc2c(cc1Br)oc(=O)[nH]2 TS55544 [0,1,0,1,0,0|1,0,1]=4 1895 B12R2.606 c1cc2c(cc1Br)oc(=S)[nH]2 TS33008 [0,1,0,1,0,0|1,0,1]=4 1896 B12R2.606 c1cc2c(cc1Br)oc(n2)N TS00795 [0,1,0,1,0,0|1,0,1]=4 1897 B12R2.606 c1cc2c(cc1Br)sc(=O)[nH]2 TS24828 [0,1,0,1,0,0|1,0,1]=4 1898 B12R2.606 c1cc2c(cc1Br)sc(n2)N TS00794 [0,1,0,1,0,0|1,0,1]=4 1899 B12R2.606 c1cc2c(cc1F)CC(=O)N2 TS03325 [0,1,0,1,0,0|0,1,1]=4 1900 B12R2.606 c1cc2c(cc1N)CC(=O)N2 TS71383 [0,1,0,1,0,0|1,0,1]=4 1901 B12R2.606 c1cc2c(cc1O)CC(=O)N2 TS03339 [0,1,0,1,0,0|1,0,1]=4 1902 B12R2.221 Cc1ccc(c2c1CCC2)O TS07458 [0,1,0,1,0,0|2,0,0]=4 1903 B12R2.221 c1cc(c2c(c1Br)cc[nH]2)Br TS33659 [0,1,0,1,0,0|0,0,2]=4 1904 B12R2.221 c1cc(c2c(c1F)cc[nH]2)Br TS21600 [0,1,0,1,0,0|0,0,2]=4 1905 B12R2.221 c1cc(c2c(c1O)CCC2)Cl TS12616 [0,1,0,1,0,0|1,1,0]=4 1906 B12R2.44 COc1ccc2c(c1)CCC2 TS40647 [0,1,0,1,0,0|2,0,0]=4 1907 B12R2.44 COc1ccc2c(c1)CCN2 TS71586 [0,1,0,1,0,0|1,0,0]=3 1908 B12R2.44 CSc1ccc2c(c1)CCN2 TS32983 [0,1,0,1,0,0|1,0,0]=3 1909 B12R2.44 c1cc2c(cc1C#N)CCN2 TS03279 [0,1,0,1,0,0|1,0,0]=3 1910 B12R2.44 c1cc2c(cc1C#N)CCO2 TS07080 [0,1,0,1,0,0|2,0,0]=4 1911 B12R2.44 c1cc2c(cc1C=O)CCC2 TS07219 [0,1,0,1,0,0|2,0,0]=4 1912 B12R2.44 c1cc2c(cc1C=O)CCO2 TS00573 [0,1,0,1,0,0|2,0,0]=4 1913 B12R2.44 c1cc2c(cc1CCl)CCO2 TS12611 [0,1,0,1,0,0|1,1,0]=4 1914 B12R2.44 c1cc2c(cc1CO)CCO2 TS09874 [0,1,0,1,0,0|2,0,0]=4 1915 B12R2.44 c1cc2c(cc1[Mg]Br)OCO2 TS52204 [0,1,0,1,0,0|2,0,0]=4 1916 B12R2.315 COc1cccc2c1NCC2 TS07572 [0,1,0,1,0,0|1,0,0]=3 1917 B12R2.315 c1cc2c(c(c1)C=O)NCC2 TS40525 [0,1,0,1,0,0|1,0,0]=3 1918 B12R2.315 c1cc2c(c(c1)C=O)OCC2 TS07412 [0,1,0,1,0,0|2,0,0]=4 1919 B12R2.315 c1cc2c(c(c1)CO)OCC2 TS07695 [0,1,0,1,0,0|2,0,0]=4 1920 B12R2.100 c1c2c(cc(c1O)O)NCC2 TS71345 [0,1,0,1,0,0|1,0,0]=3 1921 B12R2.100 c1c2cn[nH]c2cc(c1Br)F TS21811 [0,1,0,1,0,0|1,0,1]=4 1922 B12R2.100 c1c[nH]c2c1cc(c(c2)F)Br TS87471 [0,1,0,1,0,0|0,0,2]=4 1923 B12R2.291 c1cc(c(cc1C2CO2)Cl)Cl TS50851 [0,1,0,1,0,0|1,1,0]=4 1924 B8R1.1 CCC1=CCC(=C1)C TS04143 [1,0,0,0,1,0|1,0,1]=4 1925 B8R1.1 CCc1ccc(s1)C TS36173 [1,0,0,0,1,0|2,0,0]=4 1926 B8R1.1 CCn1cc(cn1)Br TS13620 [1,0,0,0,1,0|2,0,0]=4 1927 B8R1.1 Cc1cc(oc1)CN TS89029 [1,0,0,0,1,0|2,0,0]=4 1928 B8R1.1 Cc1cc(sc1)CN TS36247 [1,0,0,0,1,0|2,0,0]=4 1929 B8R1.1 Cc1ccc(o1)CN TS31873 [1,0,0,0,1,0|2,0,0]=4 1930 B8R1.1 Cc1ccc(s1)CN TS36252 [1,0,0,0,1,0|2,0,0]=4 1931 B8R1.1 c1c(csc1Br)CN TS91257 [1,0,0,0,1,0|1,0,0]=3 1932 B8R1.1 c1c(csc1CN)Br TS89953 [1,0,0,0,1,0|1,0,0]=3 1933 B8R1.1 c1c(csc1CN)Cl TS87176 [1,0,0,0,1,0|1,1,0]=4 1934 B8R1.1 c1c(csc1CO)Br TS59852 [1,0,0,0,1,0|2,0,0]=4 1935 B8R1.1 c1c(csc1Cl)CN TS86823 [1,0,0,0,1,0|1,1,0]=4 1936 B8R1.1 c1c(sc(n1)CN)Br TS92842 [1,0,0,0,1,0|2,0,0]=4 1937 B8R1.1 c1cc(sc1CN)Br TS16792 [1,0,0,0,1,0|1,0,0]=3 1938 B8R1.1 c1cc(sc1CN)Cl TS07393 [1,0,0,0,1,0|1,1,0]=4 1939 B8R1.1 c1cc(sc1CN)F TS91365 [1,0,0,0,1,0|1,1,0]=4 1940 B8R1.1 c1cc(sc1CO)Br TS51585 [1,0,0,0,1,0|2,0,0]=4 1941 B8R1.11 Cn1cccc1CN TS04204 [1,0,0,0,1,0|2,0,0]=4 1942 B8R1.11 c1csc(c1Br)CN TS51400 [1,0,0,0,1,0|1,0,0]=3 1943 B8R1.11 c1csc(c1Br)CO TS51586 [1,0,0,0,1,0|2,0,0]=4 1944 B8R1.11 c1csc(c1CBr)Br TS86576 [1,0,0,0,1,0|2,0,0]=4 1945 B8R1.11 c1csc(c1CN)Br TS51399 [1,0,0,0,1,0|1,0,0]=3 1946 B8R1.11 c1csc(c1Cl)CN TS85965 [1,0,0,0,1,0|1,1,0]=4 1947 B8R1.8 CCCc1ccco1 TS31836 [1,0,0,0,1,0|2,0,0]=4 1948 B8R1.8 CCCc1cccs1 TS36171 [1,0,0,0,1,0|2,0,0]=4 1949 B8R1.8 CCCc1ccsc1 TS36172 [1,0,0,0,1,0|2,0,0]=4 1950 B8R1.8 c1c(ncs1)CCN TS36318 [1,0,0,0,1,0|2,0,0]=4 1951 B8R1.8 c1c[nH]nc1CCN TS31879 [1,0,0,0,1,0|2,0,0]=4 1952 B8R1.8 c1cc(oc1)CCO TS31915 [1,0,0,0,1,0|2,0,0]=4 1953 B8R1.8 c1cc(sc1)CCBr TS51245 [1,0,0,0,1,0|2,0,0]=4 1954 B8R1.8 c1cc(sc1)CCN TS46632 [1,0,0,0,1,0|1,0,0]=3 1955 B8R1.8 c1cc(sc1)CCN TS65662 [1,0,0,0,1,0|1,0,0]=3 1956 B8R1.8 c1cc(sc1)CCN TS93665 [1,0,0,0,1,0|1,0,0]=3 1957 B8R1.8 c1cc(sc1)CCO TS65661 [1,0,0,0,1,0|2,0,0]=4 1958 B8R1.8 c1cc(sc1)CNN TS86129 [1,0,0,0,1,0|2,0,0]=4 1959 B8R1.8 c1ccn(c1)CCBr TS08145 [1,0,0,0,1,0|2,0,0]=4 1960 B8R1.8 c1ccn(c1)CCCl TS05507 [1,0,0,0,1,0|2,0,0]=4 1961 B8R1.8 c1ccn(c1)CCN TS08216 [1,0,0,0,1,0|1,0,0]=3 1962 B8R1.8 c1ccn(c1)CCO TS31872 [1,0,0,0,1,0|2,0,0]=4 1963 B8R1.8 c1cn(cn1)CCN TS85402 [1,0,0,0,1,0|2,0,0]=4 1964 B8R1.8 c1coc(n1)CCN TS00111 [1,0,0,0,1,0|2,0,0]=4 1965 B8R1.8 c1csc(n1)CCN TS11967 [1,0,0,0,1,0|2,0,0]=4 1966 B8R1.8 c1cscc1CCN TS36246 [1,0,0,0,1,0|1,0,0]=3 1967 B8R1.8 c1cscc1CCO TS01729 [1,0,0,0,1,0|2,0,0]=4 1968 B8R1.8 c1cscc1CCO TS37040 [1,0,0,0,1,0|2,0,0]=4 1969 B8R1.8 c1cscc1CNN TS89281 [1,0,0,0,1,0|2,0,0]=4