0 B10R1.17 C#CCCc1ccccc1 TS36511 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.17 C#CCOc1ccccc1 TS36668 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.17 C#CCSc1ccccc1 TS07496 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.17 C=CC=Cc1ccccc1 TS36510 [0,0,0,0,0,0|1,0,3]=4 4 B10R1.17 C=CCCc1ccccc1 TS36707 [0,0,0,0,0,0|1,0,1]=2 5 B10R1.17 C=CCCc1ccncc1 TS36777 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.17 C=CCNc1ccccc1 TS05848 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.17 C=CCOc1ccccc1 TS36847 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.17 C=CCOc1ccccn1 TS36929 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.17 C=CCSc1ccccc1 TS40921 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.17 CC=CCc1ccccc1 TS36709 [0,0,0,0,0,0|1,0,1]=2 11 B10R1.17 CCC#Cc1ccccc1 TS36516 [0,0,0,0,0,0|1,0,2]=3 12 B10R1.17 CCC=Cc1ccccc1 TS36700 [0,0,0,0,0,0|1,0,2]=3 13 B10R1.17 CCCC[n+]1ccccc1 TS21989 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.17 CCCC[n+]1ccccc1 TS45400 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.17 CCCCc1ccccc1 TS36870 [0,0,0,0,0,0|1,0,0]=1 16 B10R1.17 CCCCc1ccccn1 TS06002 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.17 CCCCc1cccnc1 TS06012 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.17 CCCCc1ccncc1 TS06014 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.17 CCCNc1ccccc1 TS36942 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.17 CCCOc1ccccc1 TS37010 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.17 CCCSc1ccccc1 TS41194 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.17 CCN=Cc1ccccc1 TS05847 [0,0,0,0,0,0|2,0,1]=3 23 B10R1.17 CCNCc1ccccc1 TS06015 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.17 CCNCc1ccncc1 TS37037 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.17 CCOCc1ccccc1 TS37009 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.17 CCSCc1ccccc1 TS41200 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.17 CNCCc1ccccc1 TS01606 [0,0,0,0,0,0|1,0,0]=1 28 B10R1.17 CNCCc1ccccn1 TS37041 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.17 CNCCc1ccccn1 TS63536 [0,0,0,0,0,0|2,0,0]=2 30 B10R1.17 CNCCc1ccccn1 TS65180 [0,0,0,0,0,0|2,0,0]=2 31 B10R1.17 CNCCc1cccnc1 TS08004 [0,0,0,0,0,0|2,0,0]=2 32 B10R1.17 CNCCc1ccncc1 TS37035 [0,0,0,0,0,0|2,0,0]=2 33 B10R1.17 COC=Cc1ccccc1 TS36842 [0,0,0,0,0,0|0,0,2]=2 34 B10R1.17 COC=Nc1ccccc1 TS36922 [0,0,0,0,0,0|1,0,1]=2 35 B10R1.17 COCCc1ccccc1 TS06081 [0,0,0,0,0,0|0,0,0]=0 36 B10R1.17 COCCc1ccccn1 TS06192 [0,0,0,0,0,0|1,0,0]=1 37 B10R1.17 COCOc1ccccc1 TS06260 [0,0,0,0,0,0|1,0,0]=1 38 B10R1.17 COCOc1cccnc1 TS06375 [0,0,0,0,0,0|2,0,0]=2 39 B10R1.17 COCSc1ccccc1 TS10468 [0,0,0,0,0,0|1,0,0]=1 40 B10R1.17 CSCOc1ccccc1 TS10467 [0,0,0,0,0,0|1,1,0]=2 41 B10R1.17 CSSCc1ccccc1 TS12900 [0,0,0,0,0,0|1,1,0]=2 42 B10R1.17 [C-]#[N+]CCc1ccccc1 TS05666 [0,0,0,0,0,0|1,0,1]=2 43 B10R1.17 c1cc(cnc1)CCC#N TS05740 [0,0,0,0,0,0|3,0,0]=3 44 B10R1.17 c1cc(cnc1)CCCO TS37116 [0,0,0,0,0,0|3,0,0]=3 45 B10R1.17 c1cc(cnc1)CN=C=S TS25028 [0,0,0,0,0,0|4,0,0]=4 46 B10R1.17 c1ccc(cc1)C#CC=O TS05539 [0,0,0,0,0,0|2,0,2]=4 47 B10R1.17 c1ccc(cc1)C#CCCl TS09975 [0,0,0,0,0,0|2,0,2]=4 48 B10R1.17 c1ccc(cc1)C#CCN TS05672 [0,0,0,0,0,0|2,0,2]=4 49 B10R1.17 c1ccc(cc1)C#CCO TS36664 [0,0,0,0,0,0|2,0,2]=4 50 B10R1.17 c1ccc(cc1)C#C[Mg]Br TS38873 [0,0,0,0,0,0|2,0,2]=4 51 B10R1.17 c1ccc(cc1)C=CC#N TS05462 [0,0,0,0,0,0|2,0,2]=4 52 B10R1.17 c1ccc(cc1)C=CC=O TS39725 [0,0,0,0,0,0|2,0,2]=4 53 B10R1.17 c1ccc(cc1)C=CCBr TS53806 [0,0,0,0,0,0|2,0,2]=4 54 B10R1.17 c1ccc(cc1)C=CCCl TS41222 [0,0,0,0,0,0|2,0,2]=4 55 B10R1.17 c1ccc(cc1)C=CCO TS36831 [0,0,0,0,0,0|2,0,2]=4 56 B10R1.17 c1ccc(cc1)CCC#N TS56176 [0,0,0,0,0,0|2,0,0]=2 57 B10R1.17 c1ccc(cc1)CCC=O TS01796 [0,0,0,0,0,0|2,0,0]=2 58 B10R1.17 c1ccc(cc1)CCCCl TS41470 [0,0,0,0,0,0|2,0,0]=2 59 B10R1.17 c1ccc(cc1)CCCN TS36954 [0,0,0,0,0,0|2,0,0]=2 60 B10R1.17 c1ccc(cc1)CCCO TS37013 [0,0,0,0,0,0|2,0,0]=2 61 B10R1.17 c1ccc(cc1)CCCS TS41196 [0,0,0,0,0,0|2,0,0]=2 62 B10R1.17 c1ccc(cc1)CCNN TS06106 [0,0,0,0,0,0|2,0,0]=2 63 B10R1.17 c1ccc(cc1)CN=C=O TS36745 [0,0,0,0,0,0|3,0,0]=3 64 B10R1.17 c1ccc(cc1)CN=C=S TS40764 [0,0,0,0,0,0|3,0,0]=3 65 B10R1.17 c1ccc(cc1)CN=[N+]=[N-] TS36764 [0,0,0,0,0,0|3,0,0]=3 66 B10R1.17 c1ccc(cc1)CNC=O TS36937 [0,0,0,0,0,0|3,0,0]=3 67 B10R1.17 c1ccc(cc1)COC=O TS36984 [0,0,0,0,0,0|3,0,0]=3 68 B10R1.17 c1ccc(cc1)COCCl TS39818 [0,0,0,0,0,0|3,0,0]=3 69 B10R1.17 c1ccc(cc1)CSC#N TS07591 [0,0,0,0,0,0|3,0,0]=3 70 B10R1.17 c1ccc(cc1)CSCBr TS22173 [0,0,0,0,0,0|3,0,0]=3 71 B10R1.17 c1ccc(cc1)CSCCl TS13275 [0,0,0,0,0,0|3,0,0]=3 72 B10R1.17 c1ccc(cc1)C[Se]C#N TS53598 [0,0,0,0,0,0|3,0,0]=3 73 B10R1.17 c1ccc(cc1)NCCN TS37036 [0,0,0,0,0,0|3,0,0]=3 74 B10R1.17 c1ccc(cc1)NCCO TS37110 [0,0,0,0,0,0|3,0,0]=3 75 B10R1.17 c1ccc(cc1)NNC=O TS06048 [0,0,0,0,0,0|4,0,0]=4 76 B10R1.17 c1ccc(cc1)OCC=O TS36991 [0,0,0,0,0,0|3,0,0]=3 77 B10R1.17 c1ccc(cc1)OCCBr TS55768 [0,0,0,0,0,0|3,0,0]=3 78 B10R1.17 c1ccc(cc1)OCCCl TS10798 [0,0,0,0,0,0|3,0,0]=3 79 B10R1.17 c1ccc(cc1)OCCN TS65630 [0,0,0,0,0,0|3,0,0]=3 80 B10R1.17 c1ccc(cc1)OCCO TS06243 [0,0,0,0,0,0|3,0,0]=3 81 B10R1.17 c1ccc(cc1)SCC#N TS40766 [0,0,0,0,0,0|3,0,0]=3 82 B10R1.17 c1ccc(cc1)SCCBr TS49223 [0,0,0,0,0,0|3,0,0]=3 83 B10R1.17 c1ccc(cc1)SCCCl TS13277 [0,0,0,0,0,0|3,0,0]=3 84 B10R1.17 c1ccc(cc1)SCCO TS10471 [0,0,0,0,0,0|3,0,0]=3 85 B10R1.17 c1ccnc(c1)CCCCl TS10631 [0,0,0,0,0,0|3,0,0]=3 86 B10R1.17 c1ccnc(c1)CCCO TS02471 [0,0,0,0,0,0|3,0,0]=3 87 B10R1.17 c1ccnc(c1)NCCO TS45873 [0,0,0,0,0,0|4,0,0]=4 88 B10R1.17 c1ccnc(c1)SCCO TS10597 [0,0,0,0,0,0|4,0,0]=4 89 B10R1.17 c1cnccc1CCCN TS37023 [0,0,0,0,0,0|3,0,0]=3 90 B10R1.17 c1cnccc1CCCO TS37120 [0,0,0,0,0,0|3,0,0]=3 91 B10R1.17 c1cnccc1NCCN TS45706 [0,0,0,0,0,0|4,0,0]=4 92 B9R1.8 C#CCc1ccccc1 TS32230 [1,0,0,0,0,0|0,0,2]=3 93 B9R1.8 C=CC[n+]1ccccc1 TS37844 [1,0,0,0,0,0|1,0,2]=4 94 B9R1.8 C=CCc1ccccc1 TS32347 [1,0,0,0,0,0|0,0,2]=3 95 B9R1.8 C=CSc1ccccc1 TS06113 [1,0,0,0,0,0|1,0,2]=4 96 B9R1.8 CC#Cc1ccccc1 TS04599 [1,0,0,0,0,0|0,0,2]=3 97 B9R1.8 CC=Cc1ccccc1 TS32346 [1,0,0,0,0,0|0,0,2]=3 98 B9R1.8 CCC[n+]1ccccc1 TS38202 [1,0,0,0,0,0|1,0,0]=2 99 B9R1.8 CCCc1ccccc1 TS04832 [1,0,0,0,0,0|0,0,0]=1 100 B9R1.8 CCCc1ccccn1 TS85359 [1,0,0,0,0,0|1,0,0]=2 101 B9R1.8 CCCc1cnccn1 TS59984 [1,0,0,0,0,0|2,0,0]=3 102 B9R1.8 CCNc1ccccc1 TS04869 [1,0,0,0,0,0|1,0,0]=2 103 B9R1.8 CCOc1ccccc1 TS04896 [1,0,0,0,0,0|1,0,0]=2 104 B9R1.8 CCOc1ccccn1 TS55309 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.8 CCOc1ccncc1 TS04974 [1,0,0,0,0,0|2,0,0]=3 106 B9R1.8 CCOc1cnccn1 TS05010 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.8 CCSc1ccccc1 TS06299 [1,0,0,0,0,0|1,0,0]=2 108 B9R1.8 CNCc1ccccc1 TS01938 [1,0,0,0,0,0|1,0,0]=2 109 B9R1.8 CNCc1ccccn1 TS51966 [1,0,0,0,0,0|2,0,0]=3 110 B9R1.8 CNCc1cccnc1 TS02609 [1,0,0,0,0,0|2,0,0]=3 111 B9R1.8 CNCc1ccncc1 TS65238 [1,0,0,0,0,0|2,0,0]=3 112 B9R1.8 CNCc1ccncn1 TS32568 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.8 CNCc1cnccn1 TS01556 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.8 CNCc1cncnc1 TS91331 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.8 CNCc1ncccn1 TS90445 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.8 CNNc1ccccc1 TS85406 [1,0,0,0,0,0|2,0,0]=3 117 B9R1.8 COCc1ccccc1 TS04897 [1,0,0,0,0,0|0,0,0]=1 118 B9R1.8 COCc1ccccn1 TS00518 [1,0,0,0,0,0|1,0,0]=2 119 B9R1.8 CSCc1ccccc1 TS06309 [1,0,0,0,0,0|0,1,0]=2 120 B9R1.8 CSSc1ccccc1 TS41708 [1,0,0,0,0,0|1,1,0]=3 121 B9R1.8 [C-]#[N+]Cc1ccccc1 TS04681 [1,0,0,0,0,0|1,0,1]=3 122 B9R1.8 [Li]C#Cc1ccccc1 TS04133 [1,0,0,0,0,0|1,0,2]=4 123 B9R1.8 c1cc(cnc1)C=NO TS32495 [1,0,0,0,0,0|2,0,1]=4 124 B9R1.8 c1cc(cnc1)CC#N TS04724 [1,0,0,0,0,0|2,0,1]=4 125 B9R1.8 c1cc(cnc1)CCN TS41995 [1,0,0,0,0,0|2,0,0]=3 126 B9R1.8 c1cc(cnc1)CCN TS65667 [1,0,0,0,0,0|2,0,0]=3 127 B9R1.8 c1cc(cnc1)CCO TS39614 [1,0,0,0,0,0|1,0,0]=2 128 B9R1.8 c1cc(cnc1)CNN TS87066 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.8 c1cc[n+](cc1)CC#N TS41465 [1,0,0,0,0,0|2,0,1]=4 130 B9R1.8 c1ccc(cc1)C#CBr TS48021 [1,0,0,0,0,0|1,0,2]=4 131 B9R1.8 c1ccc(cc1)C=CBr TS48378 [1,0,0,0,0,0|1,0,2]=4 132 B9R1.8 c1ccc(cc1)C=CCl TS37253 [1,0,0,0,0,0|1,0,2]=4 133 B9R1.8 c1ccc(cc1)C=CN TS55760 [1,0,0,0,0,0|1,0,2]=4 134 B9R1.8 c1ccc(cc1)C=N#N TS04720 [1,0,0,0,0,0|2,0,1]=4 135 B9R1.8 c1ccc(cc1)C=NN TS04817 [1,0,0,0,0,0|2,0,1]=4 136 B9R1.8 c1ccc(cc1)CC#N TS04678 [1,0,0,0,0,0|1,0,1]=3 137 B9R1.8 c1ccc(cc1)CCBr TS15419 [1,0,0,0,0,0|1,0,0]=2 138 B9R1.8 c1ccc(cc1)CCCl TS37454 [1,0,0,0,0,0|1,0,0]=2 139 B9R1.8 c1ccc(cc1)CCI TS25156 [1,0,0,0,0,0|1,0,0]=2 140 B9R1.8 c1ccc(cc1)CCN TS22602 [1,0,0,0,0,0|1,0,0]=2 141 B9R1.8 c1ccc(cc1)CCN TS65627 [1,0,0,0,0,0|1,0,0]=2 142 B9R1.8 c1ccc(cc1)CCO TS04901 [1,0,0,0,0,0|0,0,0]=1 143 B9R1.8 c1ccc(cc1)CCS TS06307 [1,0,0,0,0,0|0,1,0]=2 144 B9R1.8 c1ccc(cc1)CC[Zn+] TS62914 [1,0,0,0,0,0|1,0,0]=2 145 B9R1.8 c1ccc(cc1)CNN TS09177 [1,0,0,0,0,0|2,0,0]=3 146 B9R1.8 c1ccc(cc1)CNN TS21284 [1,0,0,0,0,0|2,0,0]=3 147 B9R1.8 c1ccc(cc1)CNO TS01934 [1,0,0,0,0,0|1,0,0]=2 148 B9R1.8 c1ccc(cc1)CNO TS93618 [1,0,0,0,0,0|1,0,0]=2 149 B9R1.8 c1ccc(cc1)C[Mg]Br TS52066 [1,0,0,0,0,0|2,0,0]=3 150 B9R1.8 c1ccc(cc1)C[Mg]Cl TS40953 [1,0,0,0,0,0|2,0,0]=3 151 B9R1.8 c1ccc(cc1)N=C=O TS32396 [1,0,0,0,0,0|1,0,2]=4 152 B9R1.8 c1ccc(cc1)N=C=S TS06000 [1,0,0,0,0,0|1,1,1]=4 153 B9R1.8 c1ccc(cc1)N=[N+]=[N-] TS04781 [1,0,0,0,0,0|3,0,0]=4 154 B9R1.8 c1ccc(cc1)NC=O TS04863 [1,0,0,0,0,0|1,0,2]=4 155 B9R1.8 c1ccc(cc1)OC#N TS32392 [1,0,0,0,0,0|2,0,1]=4 156 B9R1.8 c1ccc(cc1)OC=O TS32488 [1,0,0,0,0,0|1,0,2]=4 157 B9R1.8 c1ccc(cc1)SCCl TS42004 [1,0,0,0,0,0|2,0,0]=3 158 B9R1.8 c1ccc(cc1)[Se]C#N TS48175 [1,0,0,0,0,0|2,0,1]=4 159 B9R1.8 c1ccc(cc1)[SiH2]CCl TS10803 [1,0,0,0,0,0|1,1,0]=3 160 B9R1.8 c1ccnc(c1)C=NO TS53320 [1,0,0,0,0,0|2,0,1]=4 161 B9R1.8 c1ccnc(c1)C=NO TS94195 [1,0,0,0,0,0|2,0,1]=4 162 B9R1.8 c1ccnc(c1)CC#N TS04723 [1,0,0,0,0,0|2,0,1]=4 163 B9R1.8 c1ccnc(c1)CCCl TS37532 [1,0,0,0,0,0|2,0,0]=3 164 B9R1.8 c1ccnc(c1)CCN TS04914 [1,0,0,0,0,0|2,0,0]=3 165 B9R1.8 c1ccnc(c1)CCN TS17997 [1,0,0,0,0,0|2,0,0]=3 166 B9R1.8 c1ccnc(c1)CCO TS04967 [1,0,0,0,0,0|1,0,0]=2 167 B9R1.8 c1ccnc(c1)CNN TS87756 [1,0,0,0,0,0|3,0,0]=4 168 B9R1.8 c1cnc(cn1)CCN TS32564 [1,0,0,0,0,0|3,0,0]=4 169 B9R1.8 c1cnc(cn1)CCS TS37406 [1,0,0,0,0,0|2,1,0]=4 170 B9R1.8 c1cnccc1C=NO TS59376 [1,0,0,0,0,0|2,0,1]=4 171 B9R1.8 c1cnccc1CCN TS09522 [1,0,0,0,0,0|2,0,0]=3 172 B9R1.8 c1cnccc1CCO TS70737 [1,0,0,0,0,0|1,0,0]=2 173 B9R1.8 c1cnccc1CCS TS06395 [1,0,0,0,0,0|1,1,0]=3 174 B9R1.8 c1cnccc1CCS TS46022 [1,0,0,0,0,0|1,1,0]=3 175 B9R1.8 c1cnccc1CNN TS85585 [1,0,0,0,0,0|3,0,0]=4 176 B9R1.8 c1cncnc1CCN TS86707 [1,0,0,0,0,0|3,0,0]=4 177 B11R1.1 C=CCCc1ccc(cc1)F TS40882 [0,1,0,0,0,0|1,0,1]=3 178 B11R1.1 C=CCOc1ccc(cc1)Cl TS40001 [0,1,0,0,0,0|2,0,1]=4 179 B11R1.1 CCCC[n+]1ccc(cc1)C TS15546 [0,1,0,0,0,0|2,0,0]=3 180 B11R1.1 CCCC[n+]1ccc(cc1)C TS24834 [0,1,0,0,0,0|2,0,0]=3 181 B11R1.1 CCCCc1ccc(cc1)Br TS21461 [0,1,0,0,0,0|1,0,0]=2 182 B11R1.1 CCCCc1ccc(cc1)C TS07510 [0,1,0,0,0,0|1,0,0]=2 183 B11R1.1 CCCCc1ccc(cc1)I TS29429 [0,1,0,0,0,0|1,0,0]=2 184 B11R1.1 CCCCc1ccc(cc1)N TS07605 [0,1,0,0,0,0|1,0,0]=2 185 B11R1.1 CCCCc1ccc(cc1)O TS40895 [0,1,0,0,0,0|1,0,0]=2 186 B11R1.1 CCCCc1ccc(cc1)S TS43140 [0,1,0,0,0,0|1,0,0]=2 187 B11R1.1 CCCCc1ccc(nc1)C TS40771 [0,1,0,0,0,0|2,0,0]=3 188 B11R1.1 CCCCc1cnc(nc1)Cl TS59722 [0,1,0,0,0,0|3,0,0]=4 189 B11R1.1 CCCOc1ccc(cc1)Br TS00031 [0,1,0,0,0,0|2,0,0]=3 190 B11R1.1 CCCOc1ccc(cc1)N TS10071 [0,1,0,0,0,0|2,0,0]=3 191 B11R1.1 CCCOc1ccc(cc1)O TS71268 [0,1,0,0,0,0|2,0,0]=3 192 B11R1.1 CCNCc1ccc(cc1)Br TS21620 [0,1,0,0,0,0|2,0,0]=3 193 B11R1.1 CCNCc1ccc(cc1)Cl TS45056 [0,1,0,0,0,0|2,0,0]=3 194 B11R1.1 CCNCc1ccc(cc1)F TS10337 [0,1,0,0,0,0|2,0,0]=3 195 B11R1.1 CNCCc1ccc(cc1)Cl TS45060 [0,1,0,0,0,0|1,0,0]=2 196 B11R1.1 CNCCc1ccc(cc1)F TS10330 [0,1,0,0,0,0|1,0,0]=2 197 B11R1.1 CNCCc1ccc(cc1)N TS09940 [0,1,0,0,0,0|1,0,0]=2 198 B11R1.1 CNCCc1ccc(cc1)O TS94477 [0,1,0,0,0,0|1,0,0]=2 199 B11R1.1 COCCc1ccc(cc1)O TS10182 [0,1,0,0,0,0|0,0,0]=1 200 B11R1.1 Cc1ccc(cc1)CCC=C TS07263 [0,1,0,0,0,0|1,0,1]=3 201 B11R1.1 Cc1ccc(cc1)CCC=O TS40656 [0,1,0,0,0,0|2,0,0]=3 202 B11R1.1 Cc1ccc(cc1)CCCO TS09928 [0,1,0,0,0,0|2,0,0]=3 203 B11R1.1 Cc1ccc(cc1)CCNC TS39895 [0,1,0,0,0,0|1,0,0]=2 204 B11R1.1 Cc1ccc(cc1)CN=C=O TS07342 [0,1,0,0,0,0|3,0,0]=4 205 B11R1.1 Cc1ccc(cc1)NCC#C TS07117 [0,1,0,0,0,0|2,0,1]=4 206 B11R1.1 Cc1ccc(cc1)NN=NC TS07576 [0,1,0,0,0,0|3,0,0]=4 207 B11R1.1 Cc1ccc(cc1)OCC#N TS07332 [0,1,0,0,0,0|3,0,0]=4 208 B11R1.1 Cc1ccc(cc1)OCC=C TS40652 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.1 Cc1ccc(cc1)OCC=O TS40854 [0,1,0,0,0,0|3,0,0]=4 210 B11R1.1 Cc1ccc(cc1)OCCBr TS21830 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.1 Cc1ccc(cc1)OCCO TS10176 [0,1,0,0,0,0|3,0,0]=4 212 B11R1.1 Cc1ccc(cc1)SCC#N TS60249 [0,1,0,0,0,0|3,0,0]=4 213 B11R1.1 [C-]#[N+]CCc1ccc(cc1)Br TS20838 [0,1,0,0,0,0|1,0,1]=3 214 B11R1.1 [C-]#[N+]CCc1ccc(cc1)F TS40736 [0,1,0,0,0,0|1,0,1]=3 215 B11R1.1 c1cc(ccc1CCC#N)Br TS09420 [0,1,0,0,0,0|2,0,0]=3 216 B11R1.1 c1cc(ccc1CCC#N)O TS65688 [0,1,0,0,0,0|2,0,0]=3 217 B11R1.1 c1cc(ccc1CCC=O)Br TS09421 [0,1,0,0,0,0|2,0,0]=3 218 B11R1.1 c1cc(ccc1CCCCl)Cl TS46929 [0,1,0,0,0,0|2,0,0]=3 219 B11R1.1 c1cc(ccc1CCCN)O TS10075 [0,1,0,0,0,0|2,0,0]=3 220 B11R1.1 c1cc(ccc1CCCO)Br TS08936 [0,1,0,0,0,0|2,0,0]=3 221 B11R1.1 c1cc(ccc1CCCO)Cl TS12935 [0,1,0,0,0,0|2,0,0]=3 222 B11R1.1 c1cc(ccc1CCCO)O TS02185 [0,1,0,0,0,0|2,0,0]=3 223 B11R1.1 c1cc(ccc1CN=C=O)F TS40983 [0,1,0,0,0,0|3,0,0]=4 224 B11R1.1 c1cc(ccc1CN=C=S)Cl TS15199 [0,1,0,0,0,0|3,0,0]=4 225 B11R1.1 c1cc(ccc1CN=C=S)F TS03089 [0,1,0,0,0,0|3,0,0]=4 226 B11R1.1 c1cc(ccc1F)SCC#N TS12398 [0,1,0,0,0,0|3,0,0]=4 227 B11R1.1 c1cc(ccc1N)NCCO TS62844 [0,1,0,0,0,0|3,0,0]=4 228 B11R1.1 c1cc(ccc1NCCO)O TS10316 [0,1,0,0,0,0|3,0,0]=4 229 B11R1.1 c1cc(ccc1O)OCCBr TS49202 [0,1,0,0,0,0|3,0,0]=4 230 B11R1.1 c1cc(ccc1O)OCCCl TS45561 [0,1,0,0,0,0|3,0,0]=4 231 B11R1.1 c1cc(ccc1OCC#N)Cl TS12430 [0,1,0,0,0,0|3,0,0]=4 232 B11R1.1 c1cc(ccc1OCC#N)F TS40982 [0,1,0,0,0,0|3,0,0]=4 233 B11R1.1 c1cc(ccc1OCCBr)Br TS54291 [0,1,0,0,0,0|3,0,0]=4 234 B11R1.1 c1cc(ccc1OCCBr)Cl TS08142 [0,1,0,0,0,0|3,0,0]=4 235 B11R1.1 c1cc(ccc1OCCBr)F TS03098 [0,1,0,0,0,0|3,0,0]=4 236 B11R1.1 c1cc(ccc1OCCCl)Br TS25793 [0,1,0,0,0,0|3,0,0]=4 237 B11R1.1 c1cc(ccc1OCCCl)Cl TS08937 [0,1,0,0,0,0|3,0,0]=4 238 B11R1.1 c1cc(ccc1OCCF)I TS73463 [0,1,0,0,0,0|3,0,0]=4 239 B11R1.1 c1cc(ccc1OCCO)Br TS49204 [0,1,0,0,0,0|3,0,0]=4 240 B11R1.1 c1cc(ccc1OCCO)Cl TS45565 [0,1,0,0,0,0|3,0,0]=4 241 B11R1.1 c1cc(ccc1SCC#N)Cl TS15203 [0,1,0,0,0,0|3,0,0]=4 242 B11R1.1 c1cc(ccc1SCCN)Br TS30597 [0,1,0,0,0,0|3,0,0]=4 243 B11R1.1 c1cc(ccc1SCCN)Cl TS15882 [0,1,0,0,0,0|3,0,0]=4 244 B11R1.1 c1cc(ccc1SCCO)Cl TS16097 [0,1,0,0,0,0|3,0,0]=4 245 B11R1.16 C#CCC(c1ccccc1)O TS07216 [0,1,0,0,0,0|1,0,1]=3 246 B11R1.16 C=CCC(c1ccccc1)O TS07476 [0,1,0,0,0,0|1,0,1]=3 247 B11R1.16 C=CCS(=O)c1ccccc1 TS12278 [0,1,0,0,0,0|2,0,1]=4 248 B11R1.16 CC(CC=O)c1ccccc1 TS40655 [0,1,0,0,0,0|2,0,0]=3 249 B11R1.16 CC(CCO)c1ccccc1 TS40913 [0,1,0,0,0,0|2,0,0]=3 250 B11R1.16 CC(CNC)c1ccccc1 TS15544 [0,1,0,0,0,0|1,0,0]=2 251 B11R1.16 CC(c1ccccc1)N=C=S TS11739 [0,1,0,0,0,0|3,0,0]=4 252 B11R1.16 CC(c1ccccc1)N=C=S TS42624 [0,1,0,0,0,0|3,0,0]=4 253 B11R1.16 CC(c1ccccc1)NC=O TS40754 [0,1,0,0,0,0|3,0,0]=4 254 B11R1.16 CC=CC(=O)c1ccccc1 TS07230 [0,1,0,0,0,0|1,0,2]=4 255 B11R1.16 CC=CC(c1ccccc1)O TS07464 [0,1,0,0,0,0|1,0,1]=3 256 B11R1.16 CCC=C(C)c1ccccc1 TS07266 [0,1,0,0,0,0|1,0,2]=4 257 B11R1.16 CCCC(=C)c1ccccc1 TS40460 [0,1,0,0,0,0|1,0,1]=3 258 B11R1.16 CCCC(=O)c1ccccc1 TS40658 [0,1,0,0,0,0|1,0,1]=3 259 B11R1.16 CCCC(=O)c1ccccn1 TS07574 [0,1,0,0,0,0|2,0,1]=4 260 B11R1.16 CCCC(C)c1ccccc1 TS40687 [0,1,0,0,0,0|1,0,0]=2 261 B11R1.16 CCCC(c1ccccc1)N TS08991 [0,1,0,0,0,0|1,0,0]=2 262 B11R1.16 CCCC(c1ccccc1)O TS40897 [0,1,0,0,0,0|1,0,0]=2 263 B11R1.16 CCCC(c1cnccn1)N TS10091 [0,1,0,0,0,0|3,0,0]=4 264 B11R1.16 CCC[C@@H](c1ccccc1)N TS07598 [0,1,0,0,0,0|1,0,0]=2 265 B11R1.16 CCC[C@@H](c1ccccc1)O TS40898 [0,1,0,0,0,0|1,0,0]=2 266 B11R1.16 CCC[C@H](c1ccccc1)N TS07603 [0,1,0,0,0,0|1,0,0]=2 267 B11R1.16 CCC[C@H](c1ccccc1)O TS40914 [0,1,0,0,0,0|1,0,0]=2 268 B11R1.16 CCNC(=O)c1ccccc1 TS07570 [0,1,0,0,0,0|2,0,1]=4 269 B11R1.16 CCOC(=N)c1ccccc1 TS39808 [0,1,0,0,0,0|2,0,1]=4 270 B11R1.16 CCOC(=O)c1ccccc1 TS40849 [0,1,0,0,0,0|2,0,1]=4 271 B11R1.16 CN(CC=C)c1ccccc1 TS40564 [0,1,0,0,0,0|2,0,1]=4 272 B11R1.16 CN(CCO)c1ccccc1 TS41045 [0,1,0,0,0,0|3,0,0]=4 273 B11R1.16 CNCC(=O)c1ccccc1 TS15529 [0,1,0,0,0,0|1,0,1]=3 274 B11R1.16 CNCC(c1ccccc1)O TS41049 [0,1,0,0,0,0|1,0,0]=2 275 B11R1.16 COCC(=O)c1ccccc1 TS09863 [0,1,0,0,0,0|0,0,1]=2 276 B11R1.16 COC[C@@H](c1ccccc1)N TS41043 [0,1,0,0,0,0|0,0,0]=1 277 B11R1.16 COC[C@H](c1ccccc1)N TS10083 [0,1,0,0,0,0|0,0,0]=1 278 B11R1.16 C[C@@H](c1ccccc1)N=C=O TS40526 [0,1,0,0,0,0|3,0,0]=4 279 B11R1.16 C[C@H](c1ccccc1)N=C=O TS40534 [0,1,0,0,0,0|3,0,0]=4 280 B11R1.16 c1ccc(cc1)C(=O)CC#N TS39724 [0,1,0,0,0,0|2,0,1]=4 281 B11R1.16 c1ccc(cc1)C(=O)CCCl TS12618 [0,1,0,0,0,0|2,0,1]=4 282 B11R1.16 c1ccc(cc1)C(CC#N)O TS07335 [0,1,0,0,0,0|2,0,0]=3 283 B11R1.16 c1ccc(cc1)C(CCN)O TS41050 [0,1,0,0,0,0|2,0,0]=3 284 B11R1.16 c1ccc(cc1)C(CCN)O TS50639 [0,1,0,0,0,0|2,0,0]=3 285 B11R1.16 c1ccc(cc1)C(CCO)N TS65845 [0,1,0,0,0,0|2,0,0]=3 286 B11R1.16 c1ccc(cc1)S(=O)CCCl TS16096 [0,1,0,0,0,0|3,0,0]=4 287 B11R1.16 c1ccc(cc1)[C@@H](CCCl)O TS46584 [0,1,0,0,0,0|2,0,0]=3 288 B11R1.16 c1ccc(cc1)[C@@H](CCN)O TS10084 [0,1,0,0,0,0|2,0,0]=3 289 B11R1.16 c1ccc(cc1)[C@@H](CCO)N TS15881 [0,1,0,0,0,0|2,0,0]=3 290 B11R1.16 c1ccc(cc1)[C@@H](CCO)N TS46603 [0,1,0,0,0,0|2,0,0]=3 291 B11R1.16 c1ccc(cc1)[C@@H](CCO)O TS10187 [0,1,0,0,0,0|2,0,0]=3 292 B11R1.16 c1ccc(cc1)[C@H](CCCl)O TS46624 [0,1,0,0,0,0|2,0,0]=3 293 B11R1.16 c1ccc(cc1)[C@H](CCN)O TS10069 [0,1,0,0,0,0|2,0,0]=3 294 B11R1.16 c1ccc(cc1)[C@H](CCO)N TS46656 [0,1,0,0,0,0|2,0,0]=3 295 B11R1.16 c1ccc(cc1)[C@H](CCO)O TS41135 [0,1,0,0,0,0|2,0,0]=3 296 B11R1.17 C=CCCc1ccccc1Br TS43954 [0,1,0,0,0,0|1,0,1]=3 297 B11R1.17 C=CCOc1ccccc1Cl TS44954 [0,1,0,0,0,0|2,0,1]=4 298 B11R1.17 C=CCOc1ccccc1O TS09860 [0,1,0,0,0,0|2,0,1]=4 299 B11R1.17 CCCCc1c(nccn1)C TS09951 [0,1,0,0,0,0|3,0,0]=4 300 B11R1.17 CCCCc1ccccc1N TS07609 [0,1,0,0,0,0|1,0,0]=2 301 B11R1.17 CNCCc1ccccc1F TS10332 [0,1,0,0,0,0|1,0,0]=2 302 B11R1.17 Cc1ccccc1CN=C=O TS07341 [0,1,0,0,0,0|3,0,0]=4 303 B11R1.17 Cc1ccccc1CN=C=S TS11741 [0,1,0,0,0,0|3,0,0]=4 304 B11R1.17 Cc1ccccc1NCCO TS41044 [0,1,0,0,0,0|3,0,0]=4 305 B11R1.17 Cc1ccccc1OCCBr TS08141 [0,1,0,0,0,0|3,0,0]=4 306 B11R1.17 [C-]#[N+]CCc1ccccc1F TS07565 [0,1,0,0,0,0|1,0,1]=3 307 B11R1.17 c1ccc(c(c1)CCC#N)Cl TS12105 [0,1,0,0,0,0|2,0,0]=3 308 B11R1.17 c1ccc(c(c1)CCCN)N TS09947 [0,1,0,0,0,0|2,0,0]=3 309 B11R1.17 c1ccc(c(c1)CCCN)O TS10076 [0,1,0,0,0,0|2,0,0]=3 310 B11R1.17 c1ccc(c(c1)CCCO)Br TS21829 [0,1,0,0,0,0|2,0,0]=3 311 B11R1.17 c1ccc(c(c1)CN=C=O)F TS40975 [0,1,0,0,0,0|3,0,0]=4 312 B11R1.17 c1ccc(c(c1)CN=C=S)Cl TS15202 [0,1,0,0,0,0|3,0,0]=4 313 B11R1.17 c1ccc(c(c1)CN=C=S)F TS12394 [0,1,0,0,0,0|3,0,0]=4 314 B11R1.17 c1ccc(c(c1)N)NCCN TS10085 [0,1,0,0,0,0|3,0,0]=4 315 B11R1.17 c1ccc(c(c1)N)NCCO TS16091 [0,1,0,0,0,0|3,0,0]=4 316 B11R1.17 c1ccc(c(c1)O)OCCO TS08221 [0,1,0,0,0,0|3,0,0]=4 317 B11R1.17 c1ccc(c(c1)OCC#N)Cl TS43278 [0,1,0,0,0,0|3,0,0]=4 318 B11R1.17 c1ccc(c(c1)OCCBr)Br TS54290 [0,1,0,0,0,0|3,0,0]=4 319 B11R1.17 c1ccc(c(c1)OCCBr)Cl TS25797 [0,1,0,0,0,0|3,0,0]=4 320 B11R1.17 c1ccc(c(c1)OCCBr)F TS22535 [0,1,0,0,0,0|3,0,0]=4 321 B11R1.17 c1ccc(c(c1)OCCCl)Br TS25794 [0,1,0,0,0,0|3,0,0]=4 322 B11R1.17 c1ccc(c(c1)OCCN)Cl TS45380 [0,1,0,0,0,0|3,0,0]=4 323 B11R1.17 c1ccc(c(c1)OCCO)Cl TS45566 [0,1,0,0,0,0|3,0,0]=4 324 B11R1.17 c1ccc(c(c1)SCCO)Br TS25354 [0,1,0,0,0,0|3,0,0]=4 325 B11R1.24 CCCC[n+]1cccc(c1)C TS24837 [0,1,0,0,0,0|2,0,0]=3 326 B11R1.24 CCNCc1cccc(c1)Br TS21623 [0,1,0,0,0,0|2,0,0]=3 327 B11R1.24 CCNCc1cccc(c1)Cl TS45055 [0,1,0,0,0,0|2,0,0]=3 328 B11R1.24 CCNCc1cccc(c1)F TS10327 [0,1,0,0,0,0|2,0,0]=3 329 B11R1.24 CNCCc1cccc(c1)Cl TS12742 [0,1,0,0,0,0|1,0,0]=2 330 B11R1.24 CNCCc1cccc(c1)F TS10334 [0,1,0,0,0,0|1,0,0]=2 331 B11R1.24 Cc1cccc(c1)CCNC TS07599 [0,1,0,0,0,0|1,0,0]=2 332 B11R1.24 Cc1cccc(c1)CN=C=O TS07334 [0,1,0,0,0,0|3,0,0]=4 333 B11R1.24 Cc1cccc(c1)CN=C=S TS42618 [0,1,0,0,0,0|3,0,0]=4 334 B11R1.24 Cc1cccc(c1)CN=[N+]=[N-] TS07356 [0,1,0,0,0,0|3,0,0]=4 335 B11R1.24 Cc1cccc(c1)NCCO TS41037 [0,1,0,0,0,0|3,0,0]=4 336 B11R1.24 Cc1cccc(c1)OCCBr TS21831 [0,1,0,0,0,0|3,0,0]=4 337 B11R1.24 Cc1cccc(c1)OCCO TS41130 [0,1,0,0,0,0|3,0,0]=4 338 B11R1.24 Cc1cccc(c1)SCCO TS44907 [0,1,0,0,0,0|3,0,0]=4 339 B11R1.24 [C-]#[N+]CCc1cccc(c1)F TS07563 [0,1,0,0,0,0|1,0,1]=3 340 B11R1.24 c1cc(cc(c1)Br)CCC#N TS20835 [0,1,0,0,0,0|2,0,0]=3 341 B11R1.24 c1cc(cc(c1)Br)OCCBr TS54287 [0,1,0,0,0,0|3,0,0]=4 342 B11R1.24 c1cc(cc(c1)Br)OCCF TS22534 [0,1,0,0,0,0|3,0,0]=4 343 B11R1.24 c1cc(cc(c1)Cl)CN=C=S TS15205 [0,1,0,0,0,0|3,0,0]=4 344 B11R1.24 c1cc(cc(c1)Cl)OCC#N TS43269 [0,1,0,0,0,0|3,0,0]=4 345 B11R1.24 c1cc(cc(c1)Cl)OCCBr TS25792 [0,1,0,0,0,0|3,0,0]=4 346 B11R1.24 c1cc(cc(c1)Cl)OCCO TS45563 [0,1,0,0,0,0|3,0,0]=4 347 B11R1.24 c1cc(cc(c1)F)CN=C=O TS40976 [0,1,0,0,0,0|3,0,0]=4 348 B11R1.24 c1cc(cc(c1)F)CN=C=S TS12392 [0,1,0,0,0,0|3,0,0]=4 349 B11R1.24 c1cc(cc(c1)O)CCCO TS41149 [0,1,0,0,0,0|2,0,0]=3 350 B11R1.24 c1cc(cc(c1)OCCO)O TS10404 [0,1,0,0,0,0|3,0,0]=4 351 B11R1.28 C#CCC#Cc1ccccc1 TS06477 [0,1,0,0,0,0|1,0,2]=4 352 B11R1.28 C#CCCCc1ccccc1 TS07011 [0,1,0,0,0,0|1,0,1]=3 353 B11R1.28 C#CCN=Cc1ccccc1 TS06872 [0,1,0,0,0,0|1,0,2]=4 354 B11R1.28 C#CCOCc1ccccc1 TS07224 [0,1,0,0,0,0|1,0,1]=3 355 B11R1.28 C=CCOCc1ccccc1 TS07459 [0,1,0,0,0,0|1,0,1]=3 356 B11R1.28 CC=CCCc1ccncc1 TS07375 [0,1,0,0,0,0|2,0,0]=3 357 B11R1.28 CCCC#Cc1ccccc1 TS07004 [0,1,0,0,0,0|1,0,1]=3 358 B11R1.28 CCCC=Cc1ccccc1 TS07261 [0,1,0,0,0,0|1,0,1]=3 359 B11R1.28 CCCCCc1ccccc1 TS07508 [0,1,0,0,0,0|1,0,0]=2 360 B11R1.28 CCCCCc1ccccn1 TS07608 [0,1,0,0,0,0|2,0,0]=3 361 B11R1.28 CCCCNc1ccccc1 TS07616 [0,1,0,0,0,0|1,0,0]=2 362 B11R1.28 CCCCOc1ccccc1 TS40903 [0,1,0,0,0,0|1,0,0]=2 363 B11R1.28 CCCCOc1ccccn1 TS41040 [0,1,0,0,0,0|2,0,0]=3 364 B11R1.28 CCCNCc1ccccc1 TS40768 [0,1,0,0,0,0|1,0,0]=2 365 B11R1.28 CCOC=Nc1ccccc1 TS07575 [0,1,0,0,0,0|1,0,1]=3 366 B11R1.28 CCOCCc1ccccn1 TS41030 [0,1,0,0,0,0|1,0,0]=2 367 B11R1.28 CNCCCc1ccccc1 TS07594 [0,1,0,0,0,0|1,0,0]=2 368 B11R1.28 CNCCOc1ccccc1 TS50641 [0,1,0,0,0,0|1,0,0]=2 369 B11R1.28 [C-]#[N+]CCCc1ccccc1 TS07119 [0,1,0,0,0,0|1,0,1]=3 370 B11R1.28 c1ccc(cc1)CCCCBr TS08029 [0,1,0,0,0,0|1,0,0]=2 371 B11R1.28 c1ccc(cc1)CCCCN TS40769 [0,1,0,0,0,0|1,0,0]=2 372 B11R1.28 c1ccc(cc1)CCCCO TS09769 [0,1,0,0,0,0|1,0,0]=2 373 B11R1.28 c1ccc(cc1)CCN=C=O TS07337 [0,1,0,0,0,0|1,0,1]=3 374 B11R1.28 c1ccc(cc1)CCN=C=S TS11737 [0,1,0,0,0,0|1,0,1]=3 375 B11R1.28 c1ccc(cc1)CCOC=O TS40845 [0,1,0,0,0,0|0,0,1]=2 376 B11R1.28 c1ccc(cc1)CNCCCl TS38930 [0,1,0,0,0,0|2,0,0]=3 377 B11R1.28 c1ccc(cc1)CNCCN TS09934 [0,1,0,0,0,0|2,0,0]=3 378 B11R1.28 c1ccc(cc1)COCC=O TS40846 [0,1,0,0,0,0|2,0,0]=3 379 B11R1.28 c1ccc(cc1)COCCBr TS01375 [0,1,0,0,0,0|2,0,0]=3 380 B11R1.28 c1ccc(cc1)COCCCl TS45252 [0,1,0,0,0,0|2,0,0]=3 381 B11R1.28 c1ccc(cc1)COCCN TS50637 [0,1,0,0,0,0|2,0,0]=3 382 B11R1.28 c1ccc(cc1)COCCO TS59944 [0,1,0,0,0,0|2,0,0]=3 383 B11R1.28 c1ccc(cc1)COCON TS41272 [0,1,0,0,0,0|1,0,0]=2 384 B11R1.28 c1ccc(cc1)CSCCCl TS15745 [0,1,0,0,0,0|2,0,0]=3 385 B11R1.28 c1ccc(cc1)CSCCN TS19660 [0,1,0,0,0,0|2,0,0]=3 386 B11R1.28 c1ccc(cc1)CSCCO TS44906 [0,1,0,0,0,0|2,0,0]=3 387 B11R1.28 c1ccc(cc1)NCCC#N TS40450 [0,1,0,0,0,0|2,0,0]=3 388 B11R1.28 c1ccc(cc1)NCCCN TS09931 [0,1,0,0,0,0|2,0,0]=3 389 B11R1.28 c1ccc(cc1)OCCC#N TS40518 [0,1,0,0,0,0|2,0,0]=3 390 B11R1.28 c1ccc(cc1)OCCCBr TS21836 [0,1,0,0,0,0|2,0,0]=3 391 B11R1.28 c1ccc(cc1)OCCCO TS41131 [0,1,0,0,0,0|2,0,0]=3 392 B11R1.28 c1ccc(cc1)OCCO[NH3+] TS16257 [0,1,0,0,0,0|1,0,0]=2 393 B11R1.28 c1ccc(cc1)SCCCCl TS15746 [0,1,0,0,0,0|2,0,0]=3 394 B11R1.28 c1ccc(cc1)SCCCN TS19659 [0,1,0,0,0,0|2,0,0]=3 395 B11R1.28 c1ccc(cc1)SCN=[N+]=[N-] TS42931 [0,1,0,0,0,0|3,0,0]=4 396 B11R1.28 c1cnccc1CCCCCl TS38931 [0,1,0,0,0,0|2,0,0]=3 397 B11R1.28 c1cnccc1CSCCO TS12707 [0,1,0,0,0,0|3,0,0]=4 398 B11R1.40 CC(=NO)Cc1ccccc1 TS40745 [0,1,0,0,0,0|2,0,1]=4 399 B11R1.40 CC(CO)Oc1ccccc1 TS41133 [0,1,0,0,0,0|3,0,0]=4 400 B11R1.40 CC(Cc1ccccc1)C=O TS07461 [0,1,0,0,0,0|2,0,0]=3 401 B11R1.40 CC(Cc1ccccc1)NC TS07600 [0,1,0,0,0,0|1,0,0]=2 402 B11R1.40 CCC(=Cc1ccccc1)C TS07268 [0,1,0,0,0,0|1,0,2]=4 403 B11R1.40 CCC(=O)Cc1ccccc1 TS07483 [0,1,0,0,0,0|1,0,1]=3 404 B11R1.40 CCC(=O)Nc1ccccc1 TS29506 [0,1,0,0,0,0|2,0,1]=4 405 B11R1.40 CCC(C)Cc1ccccc1 TS40686 [0,1,0,0,0,0|1,0,0]=2 406 B11R1.40 CCC(Cc1ccccc1)O TS00513 [0,1,0,0,0,0|1,0,0]=2 407 B11R1.40 CN(Cc1ccccc1)N=O TS09887 [0,1,0,0,0,0|3,0,0]=4 408 B11R1.40 CNC(=O)Nc1ccccc1 TS09898 [0,1,0,0,0,0|2,0,1]=4 409 B11R1.40 CNC(=S)Nc1ccccc1 TS12286 [0,1,0,0,0,0|2,0,1]=4 410 B11R1.40 COC(=O)Cc1ccccc1 TS00242 [0,1,0,0,0,0|0,0,1]=2 411 B11R1.40 COC(=O)Cc1ccccn1 TS39400 [0,1,0,0,0,0|1,0,1]=3 412 B11R1.40 COC(=O)Cc1cccnc1 TS90627 [0,1,0,0,0,0|1,0,1]=3 413 B11R1.40 COC(=O)Cc1cccnn1 TS85573 [0,1,0,0,0,0|2,0,1]=4 414 B11R1.40 COC(=O)Cc1ccncc1 TS10039 [0,1,0,0,0,0|1,0,1]=3 415 B11R1.40 COC(=O)Cc1ccncn1 TS88322 [0,1,0,0,0,0|2,0,1]=4 416 B11R1.40 COC(=O)Cc1ccnnc1 TS90137 [0,1,0,0,0,0|2,0,1]=4 417 B11R1.40 COC(=O)Cc1cnccn1 TS88028 [0,1,0,0,0,0|2,0,1]=4 418 B11R1.40 COC(=O)Nc1ccccc1 TS41003 [0,1,0,0,0,0|1,0,1]=3 419 B11R1.40 C[C@@H](Cc1ccccc1)NC TS40789 [0,1,0,0,0,0|1,0,0]=2 420 B11R1.40 C[C@H](Cc1ccccc1)NC TS40784 [0,1,0,0,0,0|1,0,0]=2 421 B11R1.40 c1ccc(cc1)CC(=O)CCl TS44955 [0,1,0,0,0,0|2,0,1]=4 422 B11R1.40 c1ccc(cc1)CC(=O)NN TS09901 [0,1,0,0,0,0|2,0,1]=4 423 B11R1.40 c1ccc(cc1)CC(=O)NO TS10040 [0,1,0,0,0,0|2,0,1]=4 424 B11R1.40 c1ccc(cc1)CC(C#N)Cl TS12109 [0,1,0,0,0,0|2,0,0]=3 425 B11R1.40 c1ccc(cc1)C[C@H](CN)N TS09945 [0,1,0,0,0,0|2,0,0]=3 426 B11R1.40 c1ccc(cc1)C[C@H](CO)N TS07919 [0,1,0,0,0,0|2,0,0]=3 427 B11R1.91 B(CCc1ccccc1)(O)O TS01640 [0,1,0,0,0,0|2,0,0]=3 428 B11R1.91 CC(=C)COc1ccccc1 TS07455 [0,1,0,0,0,0|2,0,0]=3 429 B11R1.91 CC(=C)CSc1ccccc1 TS42809 [0,1,0,0,0,0|2,0,0]=3 430 B11R1.91 CC(=C)OCc1ccccc1 TS40657 [0,1,0,0,0,0|2,0,0]=3 431 B11R1.91 CC(=NNc1ccccc1)C TS40667 [0,1,0,0,0,0|3,0,0]=4 432 B11R1.91 CC(=O)C#Cc1ccccc1 TS39336 [0,1,0,0,0,0|1,0,2]=4 433 B11R1.91 CC(=O)C=Cc1ccccc1 TS07221 [0,1,0,0,0,0|1,0,2]=4 434 B11R1.91 CC(=O)C=Cc1ccccc1 TS93157 [0,1,0,0,0,0|1,0,2]=4 435 B11R1.91 CC(=O)CCc1ccccc1 TS40645 [0,1,0,0,0,0|1,0,0]=2 436 B11R1.91 CC(=O)COc1ccccc1 TS40853 [0,1,0,0,0,0|2,0,0]=3 437 B11R1.91 CC(=O)CSc1ccccc1 TS12279 [0,1,0,0,0,0|2,0,0]=3 438 B11R1.91 CC(=O)NCc1ccccc1 TS07571 [0,1,0,0,0,0|2,0,0]=3 439 B11R1.91 CC(=O)NCc1cccnc1 TS40869 [0,1,0,0,0,0|3,0,0]=4 440 B11R1.91 CC(=O)NNc1ccccc1 TS09877 [0,1,0,0,0,0|3,0,0]=4 441 B11R1.91 CC(=O)OCc1ccccc1 TS09872 [0,1,0,0,0,0|2,0,0]=3 442 B11R1.91 CC(=O)OCc1ccccn1 TS41002 [0,1,0,0,0,0|3,0,0]=4 443 B11R1.91 CC(=O)OCc1ccncc1 TS40990 [0,1,0,0,0,0|3,0,0]=4 444 B11R1.91 CC(=O)O[Hg]c1ccccc1 TS64055 [0,1,0,0,0,0|3,0,0]=4 445 B11R1.91 CC(=O)SSc1ccccc1 TS74797 [0,1,0,0,0,0|3,0,0]=4 446 B11R1.91 CC(C#Cc1ccccc1)O TS07215 [0,1,0,0,0,0|1,0,2]=4 447 B11R1.91 CC(C)CCc1ccccc1 TS40689 [0,1,0,0,0,0|1,0,0]=2 448 B11R1.91 CC(C)N=Cc1ccccc1 TS40563 [0,1,0,0,0,0|2,0,1]=4 449 B11R1.91 CC(C)NCc1ccccc1 TS33065 [0,1,0,0,0,0|2,0,0]=3 450 B11R1.91 CC(CCc1ccccc1)N TS40782 [0,1,0,0,0,0|1,0,0]=2 451 B11R1.91 CC(CCc1ccccc1)O TS09764 [0,1,0,0,0,0|1,0,0]=2 452 B11R1.91 CC(COc1ccccc1)Cl TS45253 [0,1,0,0,0,0|2,0,0]=3 453 B11R1.91 CC(COc1ccccc1)N TS41032 [0,1,0,0,0,0|2,0,0]=3 454 B11R1.91 CN(C)C=Nc1ccccc1 TS40682 [0,1,0,0,0,0|2,0,1]=4 455 B11R1.91 CN(C)CCc1ccccc1 TS01931 [0,1,0,0,0,0|1,0,0]=2 456 B11R1.91 CN(C)CCc1ccccn1 TS09949 [0,1,0,0,0,0|2,0,0]=3 457 B11R1.91 CN(C)CCc1ccncc1 TS09942 [0,1,0,0,0,0|2,0,0]=3 458 B11R1.91 CN(C)N=Cc1ccccc1 TS40662 [0,1,0,0,0,0|2,0,1]=4 459 B11R1.91 C[C@@H](CCc1ccccc1)N TS40777 [0,1,0,0,0,0|1,0,0]=2 460 B11R1.91 C[C@H](CCc1ccccc1)N TS22961 [0,1,0,0,0,0|1,0,0]=2 461 B11R1.91 C[SiH](C)CCc1ccccc1 TS42818 [0,1,0,0,0,0|1,0,0]=2 462 B11R1.91 c1cc(cnc1)CCC(=O)O TS09416 [0,1,0,0,0,0|3,0,0]=4 463 B11R1.91 c1ccc(cc1)CCC(=O)Cl TS02876 [0,1,0,0,0,0|2,0,0]=3 464 B11R1.91 c1ccc(cc1)CCC(=O)N TS40758 [0,1,0,0,0,0|2,0,0]=3 465 B11R1.91 c1ccc(cc1)CCC(=O)O TS33063 [0,1,0,0,0,0|2,0,0]=3 466 B11R1.91 c1ccc(cc1)CCN(=O)=O TS10013 [0,1,0,0,0,0|2,0,0]=3 467 B11R1.91 c1ccc(cc1)CNC(=N)N TS80918 [0,1,0,0,0,0|3,0,0]=4 468 B11R1.91 c1ccc(cc1)CNC(=O)N TS40871 [0,1,0,0,0,0|3,0,0]=4 469 B11R1.91 c1ccc(cc1)CNC(=S)N TS12281 [0,1,0,0,0,0|3,0,0]=4 470 B11R1.91 c1ccc(cc1)COC(=O)Cl TS01383 [0,1,0,0,0,0|3,0,0]=4 471 B11R1.91 c1ccc(cc1)COC(=O)N TS01381 [0,1,0,0,0,0|3,0,0]=4 472 B11R1.91 c1ccc(cc1)COP(Cl)Cl TS43583 [0,1,0,0,0,0|3,0,0]=4 473 B11R1.91 c1ccc(cc1)CSC(=N)N TS19496 [0,1,0,0,0,0|3,0,0]=4 474 B11R1.91 c1ccc(cc1)NCC(=O)O TS10023 [0,1,0,0,0,0|3,0,0]=4 475 B11R1.91 c1ccc(cc1)NCC(=O)[O-] TS50941 [0,1,0,0,0,0|3,0,0]=4 476 B11R1.91 c1ccc(cc1)OCC(=N)N TS15733 [0,1,0,0,0,0|3,0,0]=4 477 B11R1.91 c1ccc(cc1)OCC(=O)Cl TS12910 [0,1,0,0,0,0|3,0,0]=4 478 B11R1.91 c1ccc(cc1)OCC(=O)N TS40989 [0,1,0,0,0,0|3,0,0]=4 479 B11R1.91 c1ccc(cc1)OCC(=O)O TS10139 [0,1,0,0,0,0|3,0,0]=4 480 B11R1.91 c1ccc(cc1)OCC(=O)O TS32941 [0,1,0,0,0,0|3,0,0]=4 481 B11R1.91 c1ccc(cc1)OCC(=O)[O-] TS13444 [0,1,0,0,0,0|3,0,0]=4 482 B11R1.91 c1ccc(cc1)OCC(=O)[O-] TS51409 [0,1,0,0,0,0|3,0,0]=4 483 B11R1.91 c1ccc(cc1)OCC(=O)[O-] TS63445 [0,1,0,0,0,0|3,0,0]=4 484 B11R1.91 c1ccc(cc1)OCC(=S)N TS12410 [0,1,0,0,0,0|3,0,0]=4 485 B11R1.91 c1ccc(cc1)SCC(=N)N TS19495 [0,1,0,0,0,0|3,0,0]=4 486 B11R1.91 c1ccc(cc1)SCC(=S)N TS15170 [0,1,0,0,0,0|3,0,0]=4 487 B11R1.91 c1ccnc(c1)CCC(=O)O TS40994 [0,1,0,0,0,0|3,0,0]=4 488 B9R0.45 CCCCC=CC=CC=O TS37223 [0,0,1,0,0,0|2,0,0]=3 489 B9R0.45 CCCCC=CC=CCO TS06495 [0,0,1,0,0,0|2,0,1]=4 490 B11R2.1 CC1C=Cc2c1cccc2 TS36509 [0,0,0,1,0,0|1,0,2]=4 491 B11R2.1 CC1CCc2c1nccn2 TS05914 [0,0,0,1,0,0|3,0,0]=4 492 B11R2.1 CC1CNc2c1cccc2 TS05845 [0,0,0,1,0,0|2,0,0]=3 493 B11R2.1 CN1CCc2c1cccc2 TS36778 [0,0,0,1,0,0|1,0,0]=2 494 B11R2.1 Cc1c2ccccc2[nH]n1 TS70652 [0,0,0,1,0,0|3,0,0]=4 495 B11R2.1 Cc1c2ccccc2[nH]n1 TS91059 [0,0,0,1,0,0|3,0,0]=4 496 B11R2.1 Cc1c2ccccc2on1 TS36752 [0,0,0,1,0,0|3,0,0]=4 497 B11R2.1 Cc1c[nH]c2c1cccc2 TS02848 [0,0,0,1,0,0|2,0,1]=4 498 B11R2.1 Cc1coc2c1cccc2 TS36667 [0,0,0,1,0,0|2,0,1]=4 499 B11R2.1 Cc1csc2c1cccc2 TS07495 [0,0,0,1,0,0|2,0,1]=4 500 B11R2.1 Cn1c2ccccc2cn1 TS36679 [0,0,0,1,0,0|2,0,1]=4 501 B11R2.1 Cn1c2ccccc2nn1 TS01810 [0,0,0,1,0,0|3,0,0]=4 502 B11R2.1 Cn1ccc2c1cccc2 TS00492 [0,0,0,1,0,0|1,0,2]=4 503 B11R2.1 Cn1cnc2c1cccc2 TS36688 [0,0,0,1,0,0|2,0,1]=4 504 B11R2.1 c1cc2c(nc1)C(=O)CC2 TS71343 [0,0,0,1,0,0|3,0,0]=4 505 B11R2.1 c1cc2c(nc1)C(CC2)O TS36915 [0,0,0,1,0,0|3,0,0]=4 506 B11R2.1 c1cc2c(nc1)CCC2=O TS01198 [0,0,0,1,0,0|3,0,0]=4 507 B11R2.1 c1cc2c(nc1)CCC2N TS59726 [0,0,0,1,0,0|3,0,0]=4 508 B11R2.1 c1ccc2c(c1)C(=O)CO2 TS05876 [0,0,0,1,0,0|3,0,0]=4 509 B11R2.1 c1ccc2c(c1)C(CO2)N TS05988 [0,0,0,1,0,0|3,0,0]=4 510 B11R2.1 c1ccc2c(c1)C(CO2)N TS45384 [0,0,0,1,0,0|3,0,0]=4 511 B11R2.1 c1ccc2c(c1)CC=C2Br TS51953 [0,0,0,1,0,0|2,0,1]=4 512 B11R2.1 c1ccc2c(c1)CCC2=O TS46969 [0,0,0,1,0,0|2,0,0]=3 513 B11R2.1 c1ccc2c(c1)CCC2Cl TS41220 [0,0,0,1,0,0|2,0,0]=3 514 B11R2.1 c1ccc2c(c1)CCC2N TS05846 [0,0,0,1,0,0|2,0,0]=3 515 B11R2.1 c1ccc2c(c1)CCC2N TS45061 [0,0,0,1,0,0|2,0,0]=3 516 B11R2.1 c1ccc2c(c1)CCC2O TS36840 [0,0,0,1,0,0|2,0,0]=3 517 B11R2.1 c1ccc2c(c1)CC[C@@H]2N TS36779 [0,0,0,1,0,0|2,0,0]=3 518 B11R2.1 c1ccc2c(c1)CC[C@@H]2O TS36843 [0,0,0,1,0,0|2,0,0]=3 519 B11R2.1 c1ccc2c(c1)CC[C@H]2N TS01966 [0,0,0,1,0,0|2,0,0]=3 520 B11R2.1 c1ccc2c(c1)CC[C@H]2N TS08065 [0,0,0,1,0,0|2,0,0]=3 521 B11R2.1 c1ccc2c(c1)CC[C@H]2O TS36850 [0,0,0,1,0,0|2,0,0]=3 522 B11R2.1 c1ccc2c(c1)CN=C2N TS12625 [0,0,0,1,0,0|3,0,0]=4 523 B11R2.1 c1ccc2c(c1)COC2=O TS36800 [0,0,0,1,0,0|3,0,0]=4 524 B11R2.1 c1ccc2c(c1)COC2=O TS94299 [0,0,0,1,0,0|3,0,0]=4 525 B11R2.4 CC1CC1c2ccccc2 TS36705 [0,0,0,1,0,0|1,0,0]=2 526 B11R2.4 C[C@@H]1[C@H](O1)c2ccccc2 TS05905 [0,0,0,1,0,0|2,0,0]=3 527 B11R2.4 C[C@H]1[C@@H](O1)c2ccccc2 TS36853 [0,0,0,1,0,0|2,0,0]=3 528 B11R2.4 c1ccc(cc1)C2CC2N TS45058 [0,0,0,1,0,0|2,0,0]=3 529 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2N TS12741 [0,0,0,1,0,0|2,0,0]=3 530 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2N TS66575 [0,0,0,1,0,0|2,0,0]=3 531 B11R2.20 C1CCC2=C(C1)CC=CC2 TS36861 [0,0,0,1,0,0|1,0,2]=4 532 B11R2.20 C1CCC2C=CC=CC2C1 TS36857 [0,0,0,1,0,0|1,0,2]=4 533 B11R2.20 c1c2c(ncn1)CCNC2 TS86287 [0,0,0,1,0,0|3,0,0]=4 534 B11R2.20 c1c2c(ncn1)CNCC2 TS91830 [0,0,0,1,0,0|3,0,0]=4 535 B11R2.20 c1cc2c(nc1)CCCC2 TS71334 [0,0,0,1,0,0|2,0,0]=3 536 B11R2.20 c1cc2c(nc1)CCCN2 TS05910 [0,0,0,1,0,0|3,0,0]=4 537 B11R2.20 c1cc2c(nc1)CCNC2 TS16957 [0,0,0,1,0,0|2,0,0]=3 538 B11R2.20 c1cc2c(nc1)CCNC2 TS94341 [0,0,0,1,0,0|2,0,0]=3 539 B11R2.20 c1cc2c(nc1)CNCC2 TS02254 [0,0,0,1,0,0|2,0,0]=3 540 B11R2.20 c1cc2c(nc1)CNCC2 TS86659 [0,0,0,1,0,0|2,0,0]=3 541 B11R2.20 c1cc2c(nc1)NCCC2 TS05909 [0,0,0,1,0,0|3,0,0]=4 542 B11R2.20 c1ccc2c(c1)CC=CC2 TS16693 [0,0,0,1,0,0|1,0,1]=3 543 B11R2.20 c1ccc2c(c1)CCC=C2 TS36512 [0,0,0,1,0,0|1,0,1]=3 544 B11R2.20 c1ccc2c(c1)CCCC2 TS36696 [0,0,0,1,0,0|1,0,0]=2 545 B11R2.20 c1ccc2c(c1)CCCC2 TS73725 [0,0,0,1,0,0|1,0,0]=2 546 B11R2.20 c1ccc2c(c1)CCCN2 TS00337 [0,0,0,1,0,0|2,0,0]=3 547 B11R2.20 c1ccc2c(c1)CCN=C2 TS02548 [0,0,0,1,0,0|1,0,1]=3 548 B11R2.20 c1ccc2c(c1)CCOC2 TS01923 [0,0,0,1,0,0|0,0,0]=1 549 B11R2.20 c1ccc2c(c1)CNCO2 TS36914 [0,0,0,1,0,0|2,0,0]=3 550 B11R2.20 c1ccc2c(c1)NCCN2 TS00343 [0,0,0,1,0,0|3,0,0]=4 551 B11R2.20 c1ccc2c(c1)NCCO2 TS45382 [0,0,0,1,0,0|3,0,0]=4 552 B11R2.20 c1ccc2c(c1)NCCO2 TS81066 [0,0,0,1,0,0|3,0,0]=4 553 B11R2.20 c1ccc2c(c1)OCCO2 TS00382 [0,0,0,1,0,0|3,0,0]=4 554 B11R2.20 c1ccc2c(c1)SCCS2 TS12590 [0,0,0,1,0,0|3,0,0]=4 555 B11R2.20 c1cnc2c(n1)CCCC2 TS71335 [0,0,0,1,0,0|3,0,0]=4 556 B11R2.20 c1cncc2c1CCCC2 TS16964 [0,0,0,1,0,0|2,0,0]=3 557 B11R2.20 c1cncc2c1CCNC2 TS05913 [0,0,0,1,0,0|2,0,0]=3 558 B11R2.238 c1ccc(cc1)CC2CC2 TS36695 [0,0,0,1,0,0|1,0,0]=2 559 B11R2.238 c1ccc(cc1)CC2CN2 TS36772 [0,0,0,1,0,0|1,0,0]=2 560 B11R2.238 c1ccc(cc1)C[C@@H]2CN2 TS36776 [0,0,0,1,0,0|1,0,0]=2 561 B11R2.238 c1ccc(cc1)C[C@H]2CN2 TS36774 [0,0,0,1,0,0|1,0,0]=2 562 B11R2.238 c1ccc(cc1)SC2CC2 TS55842 [0,0,0,1,0,0|2,0,0]=3 563 B11R2.239 c1ccc(cc1)C2CCN2 TS36775 [0,0,0,1,0,0|2,0,0]=3 564 B11R2.988 c1ccc2c(c1)CC2CO TS36669 [0,0,0,1,0,0|2,0,0]=3 565 B9R1.12 CCCCc1[nH]ccn1 TS36021 [0,0,0,0,1,0|3,0,0]=4 566 B9R1.12 CCCCc1ccco1 TS35998 [0,0,0,0,1,0|2,0,0]=3 567 B9R1.12 CCCCc1cccs1 TS37432 [0,0,0,0,1,0|2,0,0]=3 568 B9R1.12 CCCCc1ccsc1 TS37433 [0,0,0,0,1,0|2,0,0]=3 569 B9R1.12 CCCCn1ccnc1 TS00425 [0,0,0,0,1,0|3,0,0]=4 570 B9R1.12 CCSCc1ccco1 TS37624 [0,0,0,0,1,0|3,0,0]=4 571 B9R1.12 CNCCc1c[nH]cn1 TS53960 [0,0,0,0,1,0|3,0,0]=4 572 B9R1.12 CNCCc1cccs1 TS06619 [0,0,0,0,1,0|2,0,0]=3 573 B9R1.12 CSSCc1ccco1 TS42220 [0,0,0,0,1,0|2,1,0]=4 574 B9R1.12 c1ccn(c1)CCC#N TS04819 [0,0,0,0,1,0|3,0,0]=4 575 B9R1.12 c1ccn(c1)CCCBr TS39573 [0,0,0,0,1,0|3,0,0]=4 576 B9R1.12 c1ccn(c1)CCCO TS08736 [0,0,0,0,1,0|3,0,0]=4 577 B8R0.4 CCCC=CC=CC=O TS36011 [1,0,1,0,0,0|1,0,0]=3 578 B8R0.4 CCCC=CC=CCO TS36154 [1,0,1,0,0,0|1,0,1]=4 579 B8R0.4 CCCCC=CC=CC TS05047 [1,0,1,0,0,0|0,0,2]=4 580 B8R1.2 C#Cc1ccccc1 TS39865 [2,0,0,0,0,0|0,0,2]=4 581 B8R1.2 C=Cc1ccccc1 TS04045 [2,0,0,0,0,0|0,0,2]=4 582 B8R1.2 CCC1=CCC=CC1 TS04142 [2,0,0,0,0,0|0,0,2]=4 583 B8R1.2 CC[n+]1ccccc1 TS40125 [2,0,0,0,0,0|1,0,0]=3 584 B8R1.2 CC[n+]1ccccc1 TS50650 [2,0,0,0,0,0|1,0,0]=3 585 B8R1.2 CCc1ccccc1 TS04102 [2,0,0,0,0,0|0,0,0]=2 586 B8R1.2 CCc1ccccn1 TS55316 [2,0,0,0,0,0|1,0,0]=3 587 B8R1.2 CCc1cccnc1 TS04113 [2,0,0,0,0,0|1,0,0]=3 588 B8R1.2 CCc1ccncc1 TS04110 [2,0,0,0,0,0|1,0,0]=3 589 B8R1.2 CCc1cnccn1 TS31774 [2,0,0,0,0,0|2,0,0]=4 590 B8R1.2 CNc1ccccc1 TS31758 [2,0,0,0,0,0|1,0,0]=3 591 B8R1.2 CNc1ccccc1 TS40129 [2,0,0,0,0,0|1,0,0]=3 592 B8R1.2 CNc1ccccn1 TS22814 [2,0,0,0,0,0|2,0,0]=4 593 B8R1.2 CNc1cccnc1 TS09432 [2,0,0,0,0,0|2,0,0]=4 594 B8R1.2 CNc1ccncc1 TS16891 [2,0,0,0,0,0|2,0,0]=4 595 B8R1.2 COc1ccccc1 TS39801 [2,0,0,0,0,0|0,0,0]=2 596 B8R1.2 COc1cccnn1 TS02827 [2,0,0,0,0,0|2,0,0]=4 597 B8R1.2 COc1ccncc1 TS03163 [2,0,0,0,0,0|1,0,0]=3 598 B8R1.2 COc1ccncn1 TS31815 [2,0,0,0,0,0|2,0,0]=4 599 B8R1.2 COc1cnccn1 TS55429 [2,0,0,0,0,0|2,0,0]=4 600 B8R1.2 COc1ncccn1 TS31823 [2,0,0,0,0,0|2,0,0]=4 601 B8R1.2 CPc1ccccc1 TS32592 [2,0,0,0,0,0|1,0,0]=3 602 B8R1.2 CSc1ccccc1 TS36022 [2,0,0,0,0,0|0,1,0]=3 603 B8R1.2 CSc1ccccn1 TS05101 [2,0,0,0,0,0|1,1,0]=4 604 B8R1.2 CSc1cccnc1 TS05108 [2,0,0,0,0,0|1,1,0]=4 605 B8R1.2 C[NH2+]c1ccccc1 TS49917 [2,0,0,0,0,0|1,0,0]=3 606 B8R1.2 C[SiH2]c1ccccc1 TS04929 [2,0,0,0,0,0|0,1,0]=3 607 B8R1.2 [C-]#[N+]c1ccccc1 TS59810 [2,0,0,0,0,0|1,0,1]=4 608 B8R1.2 c1c(cncn1)CO TS55504 [2,0,0,0,0,0|2,0,0]=4 609 B8R1.2 c1cc(cnc1)CBr TS09437 [2,0,0,0,0,0|2,0,0]=4 610 B8R1.2 c1cc(cnc1)CCl TS00113 [2,0,0,0,0,0|2,0,0]=4 611 B8R1.2 c1cc(cnc1)CCl TS02031 [2,0,0,0,0,0|2,0,0]=4 612 B8R1.2 c1cc(cnc1)CI TS49544 [2,0,0,0,0,0|2,0,0]=4 613 B8R1.2 c1cc(cnc1)CI TS64566 [2,0,0,0,0,0|2,0,0]=4 614 B8R1.2 c1cc(cnc1)CN TS02883 [2,0,0,0,0,0|2,0,0]=4 615 B8R1.2 c1cc(cnc1)CO TS92960 [2,0,0,0,0,0|1,0,0]=3 616 B8R1.2 c1cc(cnc1)CO TS93835 [2,0,0,0,0,0|1,0,0]=3 617 B8R1.2 c1cc(nnc1)CO TS59365 [2,0,0,0,0,0|2,0,0]=4 618 B8R1.2 c1ccc(cc1)C#N TS01882 [2,0,0,0,0,0|1,0,1]=4 619 B8R1.2 c1ccc(cc1)C#N TS80489 [2,0,0,0,0,0|1,0,1]=4 620 B8R1.2 c1ccc(cc1)C=O TS43757 [2,0,0,0,0,0|0,0,2]=4 621 B8R1.2 c1ccc(cc1)CCl TS36191 [2,0,0,0,0,0|1,0,0]=3 622 B8R1.2 c1ccc(cc1)CF TS31826 [2,0,0,0,0,0|1,0,0]=3 623 B8R1.2 c1ccc(cc1)CI TS09176 [2,0,0,0,0,0|1,0,0]=3 624 B8R1.2 c1ccc(cc1)CN TS01379 [2,0,0,0,0,0|1,0,0]=3 625 B8R1.2 c1ccc(cc1)CN TS40124 [2,0,0,0,0,0|1,0,0]=3 626 B8R1.2 c1ccc(cc1)CO TS31769 [2,0,0,0,0,0|0,0,0]=2 627 B8R1.2 c1ccc(cc1)CS TS36023 [2,0,0,0,0,0|0,1,0]=3 628 B8R1.2 c1ccc(cc1)I=O TS49692 [2,0,0,0,0,0|1,0,1]=4 629 B8R1.2 c1ccc(cc1)N=O TS31751 [2,0,0,0,0,0|1,0,1]=4 630 B8R1.2 c1ccc(cc1)NN TS07047 [2,0,0,0,0,0|2,0,0]=4 631 B8R1.2 c1ccc(cc1)NN TS31771 [2,0,0,0,0,0|2,0,0]=4 632 B8R1.2 c1ccc(cc1)NN TS61145 [2,0,0,0,0,0|2,0,0]=4 633 B8R1.2 c1ccc(cc1)NN TS76102 [2,0,0,0,0,0|2,0,0]=4 634 B8R1.2 c1ccc(cc1)NO TS31793 [2,0,0,0,0,0|1,0,0]=3 635 B8R1.2 c1ccc(cc1)NO TS37696 [2,0,0,0,0,0|1,0,0]=3 636 B8R1.2 c1ccc(cc1)ON TS07146 [2,0,0,0,0,0|1,0,0]=3 637 B8R1.2 c1ccc(cc1)[Hg]Cl TS76590 [2,0,0,0,0,0|2,0,0]=4 638 B8R1.2 c1ccc(cc1)[Hg]I TS69412 [2,0,0,0,0,0|2,0,0]=4 639 B8R1.2 c1ccc(cc1)[Mg]Br TS59811 [2,0,0,0,0,0|2,0,0]=4 640 B8R1.2 c1ccc(cc1)[Mg]Cl TS06150 [2,0,0,0,0,0|2,0,0]=4 641 B8R1.2 c1ccc(cc1)[Mg]I TS52700 [2,0,0,0,0,0|2,0,0]=4 642 B8R1.2 c1ccc(cc1)[N+]#N TS27981 [2,0,0,0,0,0|2,0,0]=4 643 B8R1.2 c1ccnc(c1)CBr TS47083 [2,0,0,0,0,0|2,0,0]=4 644 B8R1.2 c1ccnc(c1)CCl TS47089 [2,0,0,0,0,0|2,0,0]=4 645 B8R1.2 c1ccnc(c1)CCl TS47090 [2,0,0,0,0,0|2,0,0]=4 646 B8R1.2 c1ccnc(c1)CN TS00811 [2,0,0,0,0,0|2,0,0]=4 647 B8R1.2 c1ccnc(c1)CO TS07144 [2,0,0,0,0,0|1,0,0]=3 648 B8R1.2 c1ccnc(c1)CO TS31798 [2,0,0,0,0,0|1,0,0]=3 649 B8R1.2 c1ccnc(c1)CS TS05100 [2,0,0,0,0,0|1,1,0]=4 650 B8R1.2 c1cnc(cn1)CO TS88438 [2,0,0,0,0,0|2,0,0]=4 651 B8R1.2 c1cnc(nc1)CO TS00517 [2,0,0,0,0,0|2,0,0]=4 652 B8R1.2 c1cnccc1CBr TS39318 [2,0,0,0,0,0|2,0,0]=4 653 B8R1.2 c1cnccc1CCl TS16903 [2,0,0,0,0,0|2,0,0]=4 654 B8R1.2 c1cnccc1CN TS31773 [2,0,0,0,0,0|2,0,0]=4 655 B8R1.2 c1cnccc1CO TS07149 [2,0,0,0,0,0|1,0,0]=3 656 B8R1.2 c1cnccc1CO TS71297 [2,0,0,0,0,0|1,0,0]=3 657 B8R1.2 c1cncnc1CO TS33139 [2,0,0,0,0,0|2,0,0]=4 658 B8R1.2 c1cnncc1CO TS89532 [2,0,0,0,0,0|2,0,0]=4 659 B10R0.71 CCCCCC=CC=CC=C TS40931 [0,1,1,0,0,0|1,0,0]=3 660 B10R0.71 CCCCCC=CC=CC=O TS41184 [0,1,1,0,0,0|1,0,1]=4 661 B10R1.1 C=CCc1ccc(cc1)O TS36845 [1,1,0,0,0,0|0,0,2]=4 662 B10R1.1 CCCc1ccc(cc1)Br TS54164 [1,1,0,0,0,0|0,0,0]=2 663 B10R1.1 CCCc1ccc(cc1)C TS05929 [1,1,0,0,0,0|0,0,0]=2 664 B10R1.1 CCCc1ccc(cc1)Cl TS41466 [1,1,0,0,0,0|0,0,0]=2 665 B10R1.1 CCCc1ccc(cc1)F TS07665 [1,1,0,0,0,0|0,0,0]=2 666 B10R1.1 CCCc1ccc(cc1)I TS27402 [1,1,0,0,0,0|0,0,0]=2 667 B10R1.1 CCCc1ccc(cc1)N TS36955 [1,1,0,0,0,0|0,0,0]=2 668 B10R1.1 CCCc1ccc(cc1)O TS06088 [1,1,0,0,0,0|0,0,0]=2 669 B10R1.1 CCCc1cnc(nc1)Cl TS10802 [1,1,0,0,0,0|2,0,0]=4 670 B10R1.1 CCCc1cnc(nc1)N TS06200 [1,1,0,0,0,0|2,0,0]=4 671 B10R1.1 CCCc1cnc(nc1)S TS41415 [1,1,0,0,0,0|2,0,0]=4 672 B10R1.1 CCNc1ccc(cc1)C TS36952 [1,1,0,0,0,0|1,0,0]=3 673 B10R1.1 CCNc1ccc(cc1)Cl TS10637 [1,1,0,0,0,0|1,0,0]=3 674 B10R1.1 CCOc1ccc(cc1)Br TS38042 [1,1,0,0,0,0|1,0,0]=3 675 B10R1.1 CCOc1ccc(cc1)C TS06082 [1,1,0,0,0,0|1,0,0]=3 676 B10R1.1 CCOc1ccc(cc1)Cl TS41721 [1,1,0,0,0,0|1,0,0]=3 677 B10R1.1 CCOc1ccc(cc1)F TS37363 [1,1,0,0,0,0|1,0,0]=3 678 B10R1.1 CCOc1ccc(cc1)I TS59517 [1,1,0,0,0,0|1,0,0]=3 679 B10R1.1 CCOc1ccc(cc1)N TS33162 [1,1,0,0,0,0|1,0,0]=3 680 B10R1.1 CCOc1ccc(cc1)N TS45702 [1,1,0,0,0,0|1,0,0]=3 681 B10R1.1 CCOc1ccc(cc1)O TS06257 [1,1,0,0,0,0|1,0,0]=3 682 B10R1.1 CCOc1ccc(cn1)Br TS71417 [1,1,0,0,0,0|2,0,0]=4 683 B10R1.1 CCOc1ccc(cn1)N TS37183 [1,1,0,0,0,0|2,0,0]=4 684 B10R1.1 CCOc1ccc(nc1)Br TS19313 [1,1,0,0,0,0|2,0,0]=4 685 B10R1.1 CCOc1ccc(nc1)Cl TS10915 [1,1,0,0,0,0|2,0,0]=4 686 B10R1.1 CCOc1ccn(=O)cc1 TS06374 [1,1,0,0,0,0|2,0,0]=4 687 B10R1.1 CCSc1ccc(cc1)Br TS49222 [1,1,0,0,0,0|1,0,0]=3 688 B10R1.1 CCSc1ccc(cc1)Cl TS13282 [1,1,0,0,0,0|1,0,0]=3 689 B10R1.1 CNCc1ccc(cc1)Cl TS08033 [1,1,0,0,0,0|1,0,0]=3 690 B10R1.1 COCc1ccc(cc1)F TS37375 [1,1,0,0,0,0|0,0,0]=2 691 B10R1.1 CSCc1ccc(cc1)Cl TS13281 [1,1,0,0,0,0|0,1,0]=3 692 B10R1.1 Cc1ccc(cc1)C=NO TS36931 [1,1,0,0,0,0|1,0,1]=4 693 B10R1.1 Cc1ccc(cc1)CC#N TS03175 [1,1,0,0,0,0|1,0,1]=4 694 B10R1.1 Cc1ccc(cc1)CC=C TS05765 [1,1,0,0,0,0|0,0,2]=4 695 B10R1.1 Cc1ccc(cc1)CC=O TS59814 [1,1,0,0,0,0|0,0,2]=4 696 B10R1.1 Cc1ccc(cc1)CCBr TS18768 [1,1,0,0,0,0|1,0,0]=3 697 B10R1.1 Cc1ccc(cc1)CCN TS36945 [1,1,0,0,0,0|1,0,0]=3 698 B10R1.1 Cc1ccc(cc1)CCO TS06073 [1,1,0,0,0,0|0,0,0]=2 699 B10R1.1 Cc1ccc(cc1)CNC TS01603 [1,1,0,0,0,0|1,0,0]=3 700 B10R1.1 Cc1ccc(cc1)SCCl TS13278 [1,1,0,0,0,0|2,0,0]=4 701 B10R1.1 Cc1ccc(cn1)CCO TS06184 [1,1,0,0,0,0|1,0,0]=3 702 B10R1.1 [C-]#[N+]Cc1ccc(cc1)Br TS18167 [1,1,0,0,0,0|1,0,1]=4 703 B10R1.1 [C-]#[N+]Cc1ccc(cc1)Cl TS41066 [1,1,0,0,0,0|1,0,1]=4 704 B10R1.1 c1cc(ccc1C=NO)Cl TS09010 [1,1,0,0,0,0|1,0,1]=4 705 B10R1.1 c1cc(ccc1C=NO)F TS37276 [1,1,0,0,0,0|1,0,1]=4 706 B10R1.1 c1cc(ccc1CC#N)Br TS71003 [1,1,0,0,0,0|1,0,1]=4 707 B10R1.1 c1cc(ccc1CC#N)Cl TS39554 [1,1,0,0,0,0|1,0,1]=4 708 B10R1.1 c1cc(ccc1CC#N)F TS09126 [1,1,0,0,0,0|1,0,1]=4 709 B10R1.1 c1cc(ccc1CC#N)I TS09719 [1,1,0,0,0,0|1,0,1]=4 710 B10R1.1 c1cc(ccc1CC#N)N TS05748 [1,1,0,0,0,0|1,0,1]=4 711 B10R1.1 c1cc(ccc1CC#N)N TS12627 [1,1,0,0,0,0|1,0,1]=4 712 B10R1.1 c1cc(ccc1CC#N)O TS59576 [1,1,0,0,0,0|1,0,1]=4 713 B10R1.1 c1cc(ccc1CC=O)Br TS59562 [1,1,0,0,0,0|0,0,2]=4 714 B10R1.1 c1cc(ccc1CC=O)Cl TS08034 [1,1,0,0,0,0|0,0,2]=4 715 B10R1.1 c1cc(ccc1CC=O)F TS47060 [1,1,0,0,0,0|0,0,2]=4 716 B10R1.1 c1cc(ccc1CC=O)N TS36921 [1,1,0,0,0,0|0,0,2]=4 717 B10R1.1 c1cc(ccc1CC=O)O TS36982 [1,1,0,0,0,0|0,0,2]=4 718 B10R1.1 c1cc(ccc1CCBr)Br TS71001 [1,1,0,0,0,0|1,0,0]=3 719 B10R1.1 c1cc(ccc1CCBr)Cl TS08144 [1,1,0,0,0,0|1,0,0]=3 720 B10R1.1 c1cc(ccc1CCBr)F TS38380 [1,1,0,0,0,0|1,0,0]=3 721 B10R1.1 c1cc(ccc1CCBr)O TS38051 [1,1,0,0,0,0|1,0,0]=3 722 B10R1.1 c1cc(ccc1CCCl)F TS11092 [1,1,0,0,0,0|1,0,0]=3 723 B10R1.1 c1cc(ccc1CCN)Br TS34272 [1,1,0,0,0,0|1,0,0]=3 724 B10R1.1 c1cc(ccc1CCN)Br TS71000 [1,1,0,0,0,0|1,0,0]=3 725 B10R1.1 c1cc(ccc1CCN)Cl TS10636 [1,1,0,0,0,0|1,0,0]=3 726 B10R1.1 c1cc(ccc1CCN)Cl TS51403 [1,1,0,0,0,0|1,0,0]=3 727 B10R1.1 c1cc(ccc1CCN)F TS03097 [1,1,0,0,0,0|1,0,0]=3 728 B10R1.1 c1cc(ccc1CCN)F TS13760 [1,1,0,0,0,0|1,0,0]=3 729 B10R1.1 c1cc(ccc1CCN)I TS27555 [1,1,0,0,0,0|1,0,0]=3 730 B10R1.1 c1cc(ccc1CCN)N TS09521 [1,1,0,0,0,0|1,0,0]=3 731 B10R1.1 c1cc(ccc1CCN)N TS37024 [1,1,0,0,0,0|1,0,0]=3 732 B10R1.1 c1cc(ccc1CCN)O TS01822 [1,1,0,0,0,0|1,0,0]=3 733 B10R1.1 c1cc(ccc1CCN)O TS39727 [1,1,0,0,0,0|1,0,0]=3 734 B10R1.1 c1cc(ccc1CCO)Br TS16460 [1,1,0,0,0,0|0,0,0]=2 735 B10R1.1 c1cc(ccc1CCO)Cl TS10797 [1,1,0,0,0,0|0,0,0]=2 736 B10R1.1 c1cc(ccc1CCO)F TS39509 [1,1,0,0,0,0|0,0,0]=2 737 B10R1.1 c1cc(ccc1CCO)N TS39616 [1,1,0,0,0,0|0,0,0]=2 738 B10R1.1 c1cc(ccc1CCO)O TS47066 [1,1,0,0,0,0|0,0,0]=2 739 B10R1.1 c1cc(ccc1CNN)Br TS91149 [1,1,0,0,0,0|2,0,0]=4 740 B10R1.1 c1cc(ccc1CNN)Cl TS90344 [1,1,0,0,0,0|2,0,0]=4 741 B10R1.1 c1cc(ccc1CNN)F TS88239 [1,1,0,0,0,0|2,0,0]=4 742 B10R1.1 c1cc(ccc1CNN)F TS94903 [1,1,0,0,0,0|2,0,0]=4 743 B10R1.1 c1cc(ccc1CO[NH3+])Cl TS39582 [1,1,0,0,0,0|1,0,0]=3 744 B10R1.1 c1cc(ccc1CO[NH3+])F TS93852 [1,1,0,0,0,0|1,0,0]=3 745 B10R1.1 c1cc(ncc1Br)CCN TS88073 [1,1,0,0,0,0|2,0,0]=4 746 B10R1.1 c1cc(ncc1Br)CCO TS86702 [1,1,0,0,0,0|1,0,0]=3 747 B10R1.4 C=CCc1ccccc1Cl TS41221 [1,1,0,0,0,0|0,0,2]=4 748 B10R1.4 C=CCc1ccccc1O TS36846 [1,1,0,0,0,0|0,0,2]=4 749 B10R1.4 CC=Cc1ccccc1O TS36834 [1,1,0,0,0,0|0,0,2]=4 750 B10R1.4 CCCc1ccccc1C TS05927 [1,1,0,0,0,0|0,0,0]=2 751 B10R1.4 CCCc1ccccc1N TS36961 [1,1,0,0,0,0|0,0,0]=2 752 B10R1.4 CCCc1ccccc1O TS06077 [1,1,0,0,0,0|0,0,0]=2 753 B10R1.4 CCCn1ccccc1=O TS37115 [1,1,0,0,0,0|1,0,0]=3 754 B10R1.4 CCNc1ccccc1C TS06011 [1,1,0,0,0,0|1,0,0]=3 755 B10R1.4 CCNc1ccccc1F TS37294 [1,1,0,0,0,0|1,0,0]=3 756 B10R1.4 CCOc1c(cccn1)Br TS19321 [1,1,0,0,0,0|2,0,0]=4 757 B10R1.4 CCOc1c(cccn1)I TS27857 [1,1,0,0,0,0|2,0,0]=4 758 B10R1.4 CCOc1ccccc1Br TS39657 [1,1,0,0,0,0|1,0,0]=3 759 B10R1.4 CCOc1ccccc1Cl TS41727 [1,1,0,0,0,0|1,0,0]=3 760 B10R1.4 CCOc1ccccc1F TS37374 [1,1,0,0,0,0|1,0,0]=3 761 B10R1.4 CCOc1ccccc1N TS37118 [1,1,0,0,0,0|1,0,0]=3 762 B10R1.4 CCOc1ccccc1N TS45700 [1,1,0,0,0,0|1,0,0]=3 763 B10R1.4 CCOc1ccccc1O TS06253 [1,1,0,0,0,0|1,0,0]=3 764 B10R1.4 CCOc1ccccc1S TS41408 [1,1,0,0,0,0|1,0,0]=3 765 B10R1.4 CCOc1cccnc1Br TS19312 [1,1,0,0,0,0|2,0,0]=4 766 B10R1.4 CCOc1cccnc1N TS37190 [1,1,0,0,0,0|2,0,0]=4 767 B10R1.4 CCOc1ccncc1Br TS19320 [1,1,0,0,0,0|2,0,0]=4 768 B10R1.4 CCOc1ccncc1N TS37196 [1,1,0,0,0,0|2,0,0]=4 769 B10R1.4 CCOc1cnccc1Br TS38195 [1,1,0,0,0,0|2,0,0]=4 770 B10R1.4 CCSc1ccccc1Br TS49221 [1,1,0,0,0,0|1,0,0]=3 771 B10R1.4 CCSc1ccccc1O TS41412 [1,1,0,0,0,0|1,0,0]=3 772 B10R1.4 CNCc1c(cccn1)F TS86149 [1,1,0,0,0,0|2,0,0]=4 773 B10R1.4 CNCc1ccccc1Cl TS56333 [1,1,0,0,0,0|1,0,0]=3 774 B10R1.4 CNCc1ccccc1O TS45699 [1,1,0,0,0,0|1,0,0]=3 775 B10R1.4 COCc1ccccc1F TS37369 [1,1,0,0,0,0|0,0,0]=2 776 B10R1.4 Cc1c(cccn1)CCO TS37129 [1,1,0,0,0,0|1,0,0]=3 777 B10R1.4 Cc1ccccc1CC#N TS05669 [1,1,0,0,0,0|1,0,1]=4 778 B10R1.4 Cc1ccccc1CC=C TS05766 [1,1,0,0,0,0|0,0,2]=4 779 B10R1.4 Cc1ccccc1CCBr TS54167 [1,1,0,0,0,0|1,0,0]=3 780 B10R1.4 Cc1ccccc1CCO TS37017 [1,1,0,0,0,0|0,0,0]=2 781 B10R1.4 Cc1ccccc1CNC TS36965 [1,1,0,0,0,0|1,0,0]=3 782 B10R1.4 [C-]#[N+]Cc1ccccc1Cl TS41069 [1,1,0,0,0,0|1,0,1]=4 783 B10R1.4 c1cc(c(nc1)CCN)Br TS86650 [1,1,0,0,0,0|2,0,0]=4 784 B10R1.4 c1ccc(c(c1)C=NO)Br TS18942 [1,1,0,0,0,0|1,0,1]=4 785 B10R1.4 c1ccc(c(c1)C=NO)Cl TS10612 [1,1,0,0,0,0|1,0,1]=4 786 B10R1.4 c1ccc(c(c1)C=NO)F TS37272 [1,1,0,0,0,0|1,0,1]=4 787 B10R1.4 c1ccc(c(c1)C=NO)O TS06160 [1,1,0,0,0,0|1,0,1]=4 788 B10R1.4 c1ccc(c(c1)CC#N)Br TS00857 [1,1,0,0,0,0|1,0,1]=4 789 B10R1.4 c1ccc(c(c1)CC#N)Cl TS02146 [1,1,0,0,0,0|1,0,1]=4 790 B10R1.4 c1ccc(c(c1)CC#N)F TS65431 [1,1,0,0,0,0|1,0,1]=4 791 B10R1.4 c1ccc(c(c1)CC#N)I TS01084 [1,1,0,0,0,0|1,0,1]=4 792 B10R1.4 c1ccc(c(c1)CC#N)N TS47469 [1,1,0,0,0,0|1,0,1]=4 793 B10R1.4 c1ccc(c(c1)CCBr)Cl TS55287 [1,1,0,0,0,0|1,0,0]=3 794 B10R1.4 c1ccc(c(c1)CCBr)F TS01032 [1,1,0,0,0,0|1,0,0]=3 795 B10R1.4 c1ccc(c(c1)CCN)Br TS37849 [1,1,0,0,0,0|1,0,0]=3 796 B10R1.4 c1ccc(c(c1)CCN)Cl TS10628 [1,1,0,0,0,0|1,0,0]=3 797 B10R1.4 c1ccc(c(c1)CCN)F TS37288 [1,1,0,0,0,0|1,0,0]=3 798 B10R1.4 c1ccc(c(c1)CCN)F TS37293 [1,1,0,0,0,0|1,0,0]=3 799 B10R1.4 c1ccc(c(c1)CCN)N TS06107 [1,1,0,0,0,0|1,0,0]=3 800 B10R1.4 c1ccc(c(c1)CCN)O TS37108 [1,1,0,0,0,0|1,0,0]=3 801 B10R1.4 c1ccc(c(c1)CCO)Br TS38054 [1,1,0,0,0,0|0,0,0]=2 802 B10R1.4 c1ccc(c(c1)CCO)Cl TS41724 [1,1,0,0,0,0|0,0,0]=2 803 B10R1.4 c1ccc(c(c1)CCO)F TS37364 [1,1,0,0,0,0|0,0,0]=2 804 B10R1.4 c1ccc(c(c1)CCO)N TS37117 [1,1,0,0,0,0|0,0,0]=2 805 B10R1.4 c1ccc(c(c1)CCO)O TS55402 [1,1,0,0,0,0|0,0,0]=2 806 B10R1.4 c1ccc(c(c1)CNN)Br TS89985 [1,1,0,0,0,0|2,0,0]=4 807 B10R1.4 c1ccc(c(c1)CNN)Cl TS90343 [1,1,0,0,0,0|2,0,0]=4 808 B10R1.4 c1ccc(c(c1)CNN)F TS88873 [1,1,0,0,0,0|2,0,0]=4 809 B10R1.4 c1ccc(c(c1)CNN)F TS94875 [1,1,0,0,0,0|2,0,0]=4 810 B10R1.4 c1ccc(c(c1)CON)F TS93890 [1,1,0,0,0,0|1,0,0]=3 811 B10R1.4 c1ccc(c(c1)CON)I TS94168 [1,1,0,0,0,0|1,0,0]=3 812 B10R1.4 c1ccc(c(c1)CO[NH3+])Br TS26271 [1,1,0,0,0,0|1,0,0]=3 813 B10R1.4 c1ccc(c(c1)CO[NH3+])Cl TS17764 [1,1,0,0,0,0|1,0,0]=3 814 B10R1.10 C=CCc1cccc(c1)F TS36995 [1,1,0,0,0,0|0,0,2]=4 815 B10R1.10 CCCc1cccc(c1)C TS36863 [1,1,0,0,0,0|0,0,0]=2 816 B10R1.10 CCCc1cccc(c1)O TS70692 [1,1,0,0,0,0|0,0,0]=2 817 B10R1.10 CCCc1cccc(n1)N TS55636 [1,1,0,0,0,0|1,0,0]=3 818 B10R1.10 CCCc1ccnc(c1)N TS06105 [1,1,0,0,0,0|1,0,0]=3 819 B10R1.10 CCNc1cccc(c1)C TS06008 [1,1,0,0,0,0|1,0,0]=3 820 B10R1.10 CCOc1cc(ccn1)Br TS39324 [1,1,0,0,0,0|2,0,0]=4 821 B10R1.10 CCOc1cc(ccn1)N TS39272 [1,1,0,0,0,0|2,0,0]=4 822 B10R1.10 CCOc1cc(cnc1)Br TS32931 [1,1,0,0,0,0|2,0,0]=4 823 B10R1.10 CCOc1cccc(c1)Br TS65957 [1,1,0,0,0,0|1,0,0]=3 824 B10R1.10 CCOc1cccc(c1)C TS06098 [1,1,0,0,0,0|1,0,0]=3 825 B10R1.10 CCOc1cccc(c1)F TS37372 [1,1,0,0,0,0|1,0,0]=3 826 B10R1.10 CCOc1cccc(c1)N TS37121 [1,1,0,0,0,0|1,0,0]=3 827 B10R1.10 CCOc1cccc(c1)O TS06261 [1,1,0,0,0,0|1,0,0]=3 828 B10R1.10 CCOc1cccc(c1)S TS41409 [1,1,0,0,0,0|1,0,0]=3 829 B10R1.10 CCOc1cccc(n1)Br TS19319 [1,1,0,0,0,0|2,0,0]=4 830 B10R1.10 CCOc1cccc(n1)Cl TS41836 [1,1,0,0,0,0|2,0,0]=4 831 B10R1.10 CCOc1cccc(n1)N TS37195 [1,1,0,0,0,0|2,0,0]=4 832 B10R1.10 CCOc1ccnc(c1)Cl TS10912 [1,1,0,0,0,0|2,0,0]=4 833 B10R1.10 CCOc1ccnc(c1)F TS06579 [1,1,0,0,0,0|2,0,0]=4 834 B10R1.10 CCOc1ccnc(c1)N TS06274 [1,1,0,0,0,0|2,0,0]=4 835 B10R1.10 CNCc1cc(ccn1)Br TS19154 [1,1,0,0,0,0|2,0,0]=4 836 B10R1.10 CNCc1cc(cnc1)Br TS19151 [1,1,0,0,0,0|2,0,0]=4 837 B10R1.10 CNCc1cccc(c1)Cl TS08974 [1,1,0,0,0,0|1,0,0]=3 838 B10R1.10 CNCc1cccc(c1)N TS37043 [1,1,0,0,0,0|1,0,0]=3 839 B10R1.10 CNCc1ccnc(c1)Cl TS41733 [1,1,0,0,0,0|2,0,0]=4 840 B10R1.10 COCc1cccc(c1)F TS37370 [1,1,0,0,0,0|0,0,0]=2 841 B10R1.10 Cc1cccc(c1)CC#N TS05673 [1,1,0,0,0,0|1,0,1]=4 842 B10R1.10 Cc1cccc(c1)CCBr TS54163 [1,1,0,0,0,0|1,0,0]=3 843 B10R1.10 Cc1cccc(c1)CCN TS45399 [1,1,0,0,0,0|1,0,0]=3 844 B10R1.10 Cc1cccc(c1)CCN TS70669 [1,1,0,0,0,0|1,0,0]=3 845 B10R1.10 Cc1cccc(c1)CCO TS37008 [1,1,0,0,0,0|0,0,0]=2 846 B10R1.10 Cc1cccc(c1)CNC TS36964 [1,1,0,0,0,0|1,0,0]=3 847 B10R1.10 Cc1cccc(n1)CCO TS37109 [1,1,0,0,0,0|1,0,0]=3 848 B10R1.10 Cc1cccc(n1)CNC TS65175 [1,1,0,0,0,0|2,0,0]=4 849 B10R1.10 c1cc(cc(c1)Br)C=NO TS18932 [1,1,0,0,0,0|1,0,1]=4 850 B10R1.10 c1cc(cc(c1)Br)CC#N TS09489 [1,1,0,0,0,0|1,0,1]=4 851 B10R1.10 c1cc(cc(c1)Br)CCN TS09479 [1,1,0,0,0,0|1,0,0]=3 852 B10R1.10 c1cc(cc(c1)Br)CCN TS37842 [1,1,0,0,0,0|1,0,0]=3 853 B10R1.10 c1cc(cc(c1)Br)CCO TS65956 [1,1,0,0,0,0|0,0,0]=2 854 B10R1.10 c1cc(cc(c1)Br)CNN TS85618 [1,1,0,0,0,0|2,0,0]=4 855 B10R1.10 c1cc(cc(c1)Br)CON TS26272 [1,1,0,0,0,0|1,0,0]=3 856 B10R1.10 c1cc(cc(c1)Br)C[Mg]Br TS33588 [1,1,0,0,0,0|2,0,0]=4 857 B10R1.10 c1cc(cc(c1)Cl)C=NO TS16733 [1,1,0,0,0,0|1,0,1]=4 858 B10R1.10 c1cc(cc(c1)Cl)CC#N TS01789 [1,1,0,0,0,0|1,0,1]=4 859 B10R1.10 c1cc(cc(c1)Cl)CC=O TS10528 [1,1,0,0,0,0|0,0,2]=4 860 B10R1.10 c1cc(cc(c1)Cl)CCBr TS08143 [1,1,0,0,0,0|1,0,0]=3 861 B10R1.10 c1cc(cc(c1)Cl)CCN TS41558 [1,1,0,0,0,0|1,0,0]=3 862 B10R1.10 c1cc(cc(c1)Cl)CCO TS10796 [1,1,0,0,0,0|0,0,0]=2 863 B10R1.10 c1cc(cc(c1)Cl)CNN TS88866 [1,1,0,0,0,0|2,0,0]=4 864 B10R1.10 c1cc(cc(c1)Cl)CO[NH3+] TS17763 [1,1,0,0,0,0|1,0,0]=3 865 B10R1.10 c1cc(cc(c1)F)C=NO TS37269 [1,1,0,0,0,0|1,0,1]=4 866 B10R1.10 c1cc(cc(c1)F)CC#N TS70595 [1,1,0,0,0,0|1,0,1]=4 867 B10R1.10 c1cc(cc(c1)F)CC=O TS37173 [1,1,0,0,0,0|0,0,2]=4 868 B10R1.10 c1cc(cc(c1)F)CCBr TS32877 [1,1,0,0,0,0|1,0,0]=3 869 B10R1.10 c1cc(cc(c1)F)CCN TS70600 [1,1,0,0,0,0|1,0,0]=3 870 B10R1.10 c1cc(cc(c1)F)CCO TS37362 [1,1,0,0,0,0|0,0,0]=2 871 B10R1.10 c1cc(cc(c1)F)CNN TS88510 [1,1,0,0,0,0|2,0,0]=4 872 B10R1.10 c1cc(cc(c1)F)CON TS93853 [1,1,0,0,0,0|1,0,0]=3 873 B10R1.10 c1cc(cc(c1)I)CC#N TS26962 [1,1,0,0,0,0|1,0,1]=4 874 B10R1.10 c1cc(cc(c1)N)CCO TS06195 [1,1,0,0,0,0|0,0,0]=2 875 B10R1.10 c1cc(cc(c1)O)CCN TS39688 [1,1,0,0,0,0|1,0,0]=3 876 B10R1.10 c1cc(cc(c1)O)CCO TS06255 [1,1,0,0,0,0|0,0,0]=2 877 B10R1.10 c1cc(cc(c1)O)CCO TS06258 [1,1,0,0,0,0|0,0,0]=2 878 B10R1.10 c1cc(cc(c1)O)CNN TS43951 [1,1,0,0,0,0|2,0,0]=4 879 B10R1.10 c1cnc(cc1CCN)Br TS49022 [1,1,0,0,0,0|2,0,0]=4 880 B10R1.15 C#CC(c1ccccc1)O TS36663 [1,1,0,0,0,0|0,0,2]=4 881 B10R1.15 C=C(CO)c1ccncc1 TS36912 [1,1,0,0,0,0|1,0,1]=4 882 B10R1.15 C=CC(c1ccccc1)Cl TS41223 [1,1,0,0,0,0|0,0,2]=4 883 B10R1.15 C=CC(c1ccccc1)O TS36829 [1,1,0,0,0,0|0,0,2]=4 884 B10R1.15 C=C[C@@H](c1ccccc1)O TS36848 [1,1,0,0,0,0|0,0,2]=4 885 B10R1.15 C=C[C@H](c1ccccc1)O TS36828 [1,1,0,0,0,0|0,0,2]=4 886 B10R1.15 CC(=NO)c1ccccc1 TS36930 [1,1,0,0,0,0|1,0,1]=4 887 B10R1.15 CC(CBr)c1ccccc1 TS54166 [1,1,0,0,0,0|1,0,0]=3 888 B10R1.15 CC(CN)c1ccccc1 TS36949 [1,1,0,0,0,0|1,0,0]=3 889 B10R1.15 CC(CO)c1ccccc1 TS06093 [1,1,0,0,0,0|0,0,0]=2 890 B10R1.15 CC(c1ccccc1)[N+]#[C-] TS05667 [1,1,0,0,0,0|1,0,1]=4 891 B10R1.15 CC=C(C)c1ccccc1 TS36697 [1,1,0,0,0,0|0,0,2]=4 892 B10R1.15 CCC(=C)c1ccccc1 TS36703 [1,1,0,0,0,0|0,0,1]=3 893 B10R1.15 CCC(=O)c1ccccc1 TS00059 [1,1,0,0,0,0|0,0,1]=3 894 B10R1.15 CCC(=O)c1ccccn1 TS36934 [1,1,0,0,0,0|1,0,1]=4 895 B10R1.15 CCC(=O)c1cccnc1 TS36927 [1,1,0,0,0,0|1,0,1]=4 896 B10R1.15 CCC(=O)c1ccncc1 TS36919 [1,1,0,0,0,0|1,0,1]=4 897 B10R1.15 CCC(C)c1ccccc1 TS36864 [1,1,0,0,0,0|0,0,0]=2 898 B10R1.15 CCC(C)c1cnccn1 TS37025 [1,1,0,0,0,0|2,0,0]=4 899 B10R1.15 CCC(c1ccccc1)N TS36947 [1,1,0,0,0,0|0,0,0]=2 900 B10R1.15 CCC(c1ccccc1)O TS37007 [1,1,0,0,0,0|0,0,0]=2 901 B10R1.15 CCC(c1ccncc1)N TS06101 [1,1,0,0,0,0|1,0,0]=3 902 B10R1.15 CCC(c1cnccn1)N TS90912 [1,1,0,0,0,0|2,0,0]=4 903 B10R1.15 CCN(C)c1ccccc1 TS36948 [1,1,0,0,0,0|1,0,0]=3 904 B10R1.15 CCN(c1ccccc1)N TS06110 [1,1,0,0,0,0|1,0,0]=3 905 B10R1.15 CC[C@H](c1ccccc1)N TS46586 [1,1,0,0,0,0|0,0,0]=2 906 B10R1.15 CC[C@H](c1ccccc1)O TS00311 [1,1,0,0,0,0|0,0,0]=2 907 B10R1.15 CNC(=O)c1ccccc1 TS01597 [1,1,0,0,0,0|1,0,1]=4 908 B10R1.15 COC(=N)c1ccccc1 TS45386 [1,1,0,0,0,0|0,0,1]=3 909 B10R1.15 COC(=N)c1ccccn1 TS02314 [1,1,0,0,0,0|1,0,1]=4 910 B10R1.15 COC(=O)c1ccccc1 TS00163 [1,1,0,0,0,0|0,0,1]=3 911 B10R1.15 COC(=O)c1ccccn1 TS06161 [1,1,0,0,0,0|1,0,1]=4 912 B10R1.15 COC(=O)c1cccnc1 TS37100 [1,1,0,0,0,0|1,0,1]=4 913 B10R1.15 COC(=O)c1ccncc1 TS06163 [1,1,0,0,0,0|1,0,1]=4 914 B10R1.15 COS(=O)c1ccccc1 TS10693 [1,1,0,0,0,0|1,0,0]=3 915 B10R1.15 C[C@@H](CN)c1ccccc1 TS08913 [1,1,0,0,0,0|1,0,0]=3 916 B10R1.15 C[C@@H](CO)c1ccccc1 TS37012 [1,1,0,0,0,0|0,0,0]=2 917 B10R1.15 C[C@@H](c1ccccc1)NC TS36939 [1,1,0,0,0,0|1,0,0]=3 918 B10R1.15 C[C@@H](c1ccccc1)NO TS37112 [1,1,0,0,0,0|1,0,0]=3 919 B10R1.15 C[C@H](CN)c1ccccc1 TS08921 [1,1,0,0,0,0|1,0,0]=3 920 B10R1.15 C[C@H](CO)c1ccccc1 TS37011 [1,1,0,0,0,0|0,0,0]=2 921 B10R1.15 C[C@H](C[NH-])c1ccccc1 TS40751 [1,1,0,0,0,0|1,0,0]=3 922 B10R1.15 C[C@H](c1ccccc1)NC TS39981 [1,1,0,0,0,0|1,0,0]=3 923 B10R1.15 C[C@H](c1ccccc1)NO TS06188 [1,1,0,0,0,0|1,0,0]=3 924 B10R1.15 C[C@H](c1ccccc1)[N+]#[C-] TS05668 [1,1,0,0,0,0|1,0,1]=4 925 B10R1.15 c1cc(cnc1)C(CN)O TS37204 [1,1,0,0,0,0|2,0,0]=4 926 B10R1.15 c1cc(cnc1)[C@H](CCl)O TS10916 [1,1,0,0,0,0|2,0,0]=4 927 B10R1.15 c1ccc(cc1)C(=NO)Cl TS10615 [1,1,0,0,0,0|1,0,1]=4 928 B10R1.15 c1ccc(cc1)C(=O)CBr TS55148 [1,1,0,0,0,0|1,0,1]=4 929 B10R1.15 c1ccc(cc1)C(=O)CCl TS10529 [1,1,0,0,0,0|1,0,1]=4 930 B10R1.15 c1ccc(cc1)C(=O)CN TS47462 [1,1,0,0,0,0|1,0,1]=4 931 B10R1.15 c1ccc(cc1)C(=O)CO TS55394 [1,1,0,0,0,0|0,0,1]=3 932 B10R1.15 c1ccc(cc1)C(=O)NO TS37093 [1,1,0,0,0,0|1,0,1]=4 933 B10R1.15 c1ccc(cc1)C(C#N)Br TS18169 [1,1,0,0,0,0|1,0,1]=4 934 B10R1.15 c1ccc(cc1)C(C#N)N TS22755 [1,1,0,0,0,0|1,0,1]=4 935 B10R1.15 c1ccc(cc1)C(CBr)Br TS29982 [1,1,0,0,0,0|1,0,0]=3 936 B10R1.15 c1ccc(cc1)C(CBr)O TS08926 [1,1,0,0,0,0|1,0,0]=3 937 B10R1.15 c1ccc(cc1)C(CN)Cl TS41559 [1,1,0,0,0,0|1,0,0]=3 938 B10R1.15 c1ccc(cc1)C(CN)N TS37030 [1,1,0,0,0,0|1,0,0]=3 939 B10R1.15 c1ccc(cc1)C(CN)O TS45701 [1,1,0,0,0,0|1,0,0]=3 940 B10R1.15 c1ccc(cc1)C(CN)O TS93680 [1,1,0,0,0,0|1,0,0]=3 941 B10R1.15 c1ccc(cc1)C(CO)N TS37105 [1,1,0,0,0,0|0,0,0]=2 942 B10R1.15 c1ccc(cc1)C(CO)O TS06242 [1,1,0,0,0,0|0,0,0]=2 943 B10R1.15 c1ccc(cc1)S(=O)CCl TS45878 [1,1,0,0,0,0|2,0,0]=4 944 B10R1.15 c1ccc(cc1)[C@@H](CCl)O TS10799 [1,1,0,0,0,0|1,0,0]=3 945 B10R1.15 c1ccc(cc1)[C@@H](CN)O TS64977 [1,1,0,0,0,0|1,0,0]=3 946 B10R1.15 c1ccc(cc1)[C@@H](CO)N TS06187 [1,1,0,0,0,0|0,0,0]=2 947 B10R1.15 c1ccc(cc1)[C@@H](CO)O TS08646 [1,1,0,0,0,0|0,0,0]=2 948 B10R1.15 c1ccc(cc1)[C@H](C#N)O TS36753 [1,1,0,0,0,0|1,0,1]=4 949 B10R1.15 c1ccc(cc1)[C@H](CCl)O TS41718 [1,1,0,0,0,0|1,0,0]=3 950 B10R1.15 c1ccc(cc1)[C@H](CN)O TS08918 [1,1,0,0,0,0|1,0,0]=3 951 B10R1.15 c1ccc(cc1)[C@H](CO)N TS00302 [1,1,0,0,0,0|0,0,0]=2 952 B10R1.15 c1ccc(cc1)[C@H](CO)O TS59488 [1,1,0,0,0,0|0,0,0]=2 953 B10R1.15 c1cnccc1C(CN)O TS43948 [1,1,0,0,0,0|2,0,0]=4 954 B10R1.18 B(Cc1ccccc1)(O)O TS01380 [1,1,0,0,0,0|1,0,0]=3 955 B10R1.18 CC(=C)Cc1ccccc1 TS36701 [1,1,0,0,0,0|0,0,1]=3 956 B10R1.18 CC(=Cc1ccccc1)C TS36699 [1,1,0,0,0,0|0,0,2]=4 957 B10R1.18 CC(=O)C[n+]1ccccc1 TS21976 [1,1,0,0,0,0|1,0,1]=4 958 B10R1.18 CC(=O)C[n+]1ccccc1 TS45387 [1,1,0,0,0,0|1,0,1]=4 959 B10R1.18 CC(=O)Cc1ccccc1 TS36838 [1,1,0,0,0,0|0,0,1]=3 960 B10R1.18 CC(=O)Cc1ccccn1 TS47028 [1,1,0,0,0,0|1,0,1]=4 961 B10R1.18 CC(=O)Cc1cccnc1 TS36918 [1,1,0,0,0,0|1,0,1]=4 962 B10R1.18 CC(=O)Cc1cccnc1 TS45385 [1,1,0,0,0,0|1,0,1]=4 963 B10R1.18 CC(=O)Cc1ccncc1 TS29470 [1,1,0,0,0,0|1,0,1]=4 964 B10R1.18 CC(=O)Nc1ccccc1 TS36935 [1,1,0,0,0,0|1,0,1]=4 965 B10R1.18 CC(=O)Sc1ccccc1 TS41167 [1,1,0,0,0,0|1,0,1]=4 966 B10R1.18 CC(=S)Nc1ccccc1 TS10093 [1,1,0,0,0,0|1,0,1]=4 967 B10R1.18 CC(C)Cc1ccccc1 TS74509 [1,1,0,0,0,0|0,0,0]=2 968 B10R1.18 CC(C)Cc1ccccn1 TS36960 [1,1,0,0,0,0|1,0,0]=3 969 B10R1.18 CC(C)Cc1cccnc1 TS06005 [1,1,0,0,0,0|1,0,0]=3 970 B10R1.18 CC(C)Cc1ccncc1 TS06006 [1,1,0,0,0,0|1,0,0]=3 971 B10R1.18 CC(C)Cc1cnccn1 TS06100 [1,1,0,0,0,0|2,0,0]=4 972 B10R1.18 CC(C)Nc1ccccc1 TS56404 [1,1,0,0,0,0|1,0,0]=3 973 B10R1.18 CC(C)Nc1cccnc1 TS64905 [1,1,0,0,0,0|2,0,0]=4 974 B10R1.18 CC(C)Nc1ccncc1 TS64906 [1,1,0,0,0,0|2,0,0]=4 975 B10R1.18 CC(C)Sc1ccccc1 TS41201 [1,1,0,0,0,0|1,0,0]=3 976 B10R1.18 CC(Cc1ccccc1)Br TS55076 [1,1,0,0,0,0|0,0,0]=2 977 B10R1.18 CC(Cc1ccccc1)N TS06010 [1,1,0,0,0,0|0,0,0]=2 978 B10R1.18 CC(Cc1ccccc1)O TS47018 [1,1,0,0,0,0|0,0,0]=2 979 B10R1.18 CC(Cc1ccccn1)N TS46983 [1,1,0,0,0,0|1,0,0]=3 980 B10R1.18 CC(Cc1cccnc1)N TS00050 [1,1,0,0,0,0|1,0,0]=3 981 B10R1.18 CN(C)Cc1ccccc1 TS06009 [1,1,0,0,0,0|1,0,0]=3 982 B10R1.18 CN(C)Cc1ccccc1 TS45394 [1,1,0,0,0,0|1,0,0]=3 983 B10R1.18 CS(=O)Cc1ccccc1 TS10469 [1,1,0,0,0,0|0,1,0]=3 984 B10R1.18 C[C@@H](Cc1ccccc1)N TS36940 [1,1,0,0,0,0|0,0,0]=2 985 B10R1.18 C[C@@H](Cc1ccccc1)N TS66757 [1,1,0,0,0,0|0,0,0]=2 986 B10R1.18 C[SiH](C)Cc1ccccc1 TS40934 [1,1,0,0,0,0|0,1,0]=3 987 B10R1.18 c1cc(cnc1)CC(=O)O TS94291 [1,1,0,0,0,0|1,0,1]=4 988 B10R1.18 c1cc(cnc1)CC(=O)O TS94292 [1,1,0,0,0,0|1,0,1]=4 989 B10R1.18 c1cc[n+](cc1)CC(=O)O TS13410 [1,1,0,0,0,0|1,0,1]=4 990 B10R1.18 c1ccc(cc1)CC(=O)Cl TS59338 [1,1,0,0,0,0|0,0,2]=4 991 B10R1.18 c1ccc(cc1)CC(=O)N TS36936 [1,1,0,0,0,0|0,0,2]=4 992 B10R1.18 c1ccc(cc1)CC(=O)O TS06169 [1,1,0,0,0,0|0,0,1]=3 993 B10R1.18 c1ccc(cc1)CC(=O)O TS37162 [1,1,0,0,0,0|0,0,1]=3 994 B10R1.18 c1ccc(cc1)CC(=O)[O-] TS41860 [1,1,0,0,0,0|0,0,2]=4 995 B10R1.18 c1ccc(cc1)CC(=O)[O-] TS45813 [1,1,0,0,0,0|0,0,2]=4 996 B10R1.18 c1ccc(cc1)CC(=S)N TS41053 [1,1,0,0,0,0|0,1,1]=4 997 B10R1.18 c1ccc(cc1)OC(F)F TS06920 [1,1,0,0,0,0|2,0,0]=4 998 B10R1.18 c1ccc(cc1)[SiH2]C(Cl)Cl TS17240 [1,1,0,0,0,0|1,1,0]=4 999 B10R1.18 c1ccnc(c1)CC(=O)O TS02474 [1,1,0,0,0,0|1,0,1]=4 1000 B10R1.18 c1cnccc1CC(=S)O TS20061 [1,1,0,0,0,0|1,0,1]=4 1001 B10R1.11 CCCC(c1ccco1)O TS37386 [0,1,0,0,1,0|2,0,0]=4 1002 B10R1.16 CCCCc1ccc(s1)C TS10505 [0,1,0,0,1,0|2,0,0]=4 1003 B10R1.21 CCCCCc1cccs1 TS10504 [0,1,0,0,1,0|2,0,0]=4 1004 B10R1.21 CCCCCc1ccsc1 TS41456 [0,1,0,0,1,0|2,0,0]=4 1005 B10R1.27 COC(=O)Cc1cccs1 TS01563 [0,1,0,0,1,0|1,0,1]=4 1006 B10R1.27 COC(=O)Cc1ccsc1 TS10692 [0,1,0,0,1,0|1,0,1]=4 1007 B12R1.1 CC#CCNc1ccc(cc1)C TS42084 [0,2,0,0,0,0|1,0,1]=4 1008 B12R1.1 CCCCCc1ccc(cc1)Br TS24327 [0,2,0,0,0,0|1,0,0]=3 1009 B12R1.1 CCCCCc1ccc(cc1)N TS11756 [0,2,0,0,0,0|1,0,0]=3 1010 B12R1.1 CCCCCc1ccc(cc1)O TS42805 [0,2,0,0,0,0|1,0,0]=3 1011 B12R1.1 CCCCCc1ccc(cc1)[Zn+] TS78445 [0,2,0,0,0,0|1,0,0]=3 1012 B12R1.1 CCCCNc1ccc(cc1)O TS12062 [0,2,0,0,0,0|1,0,0]=3 1013 B12R1.1 CCCCOc1ccc(cc1)Br TS52801 [0,2,0,0,0,0|1,0,0]=3 1014 B12R1.1 CCCCOc1ccc(cc1)C TS42790 [0,2,0,0,0,0|1,0,0]=3 1015 B12R1.1 CCCCOc1ccc(cc1)N TS12063 [0,2,0,0,0,0|1,0,0]=3 1016 B12R1.1 CCCCOc1ccc(cc1)O TS12261 [0,2,0,0,0,0|1,0,0]=3 1017 B12R1.1 CCCCOc1ccc(cn1)N TS43122 [0,2,0,0,0,0|2,0,0]=4 1018 B12R1.1 CNCCOc1ccc(cc1)Cl TS15527 [0,2,0,0,0,0|1,0,0]=3 1019 B12R1.1 COCCNc1ncc(cn1)Br TS71402 [0,2,0,0,0,0|2,0,0]=4 1020 B12R1.1 COCCOc1ccc(cc1)O TS12520 [0,2,0,0,0,0|0,0,0]=2 1021 B12R1.1 Cc1ccc(cc1)CCN=C=S TS14090 [0,2,0,0,0,0|1,0,1]=4 1022 B12R1.1 Cc1ccc(cc1)OCCC#N TS42324 [0,2,0,0,0,0|2,0,0]=4 1023 B12R1.1 Cc1ccc(cc1)OCCCBr TS24685 [0,2,0,0,0,0|2,0,0]=4 1024 B12R1.1 c1cc(ccc1CCCCO)O TS12269 [0,2,0,0,0,0|1,0,0]=3 1025 B12R1.1 c1cc(ccc1CNCCO)F TS45008 [0,2,0,0,0,0|2,0,0]=4 1026 B12R1.1 c1cc(ccc1COCCO)Cl TS49009 [0,2,0,0,0,0|2,0,0]=4 1027 B12R1.1 c1cc(ccc1CSCCO)Cl TS19494 [0,2,0,0,0,0|2,0,0]=4 1028 B12R1.1 c1cc(ccc1O)OCCCBr TS25015 [0,2,0,0,0,0|2,0,0]=4 1029 B12R1.1 c1cc(ccc1OCCCI)Cl TS80665 [0,2,0,0,0,0|2,0,0]=4 1030 B12R1.1 c1cc(ccc1OCCCO)F TS45119 [0,2,0,0,0,0|2,0,0]=4 1031 B12R1.16 CCCC(=O)c1ccc(cc1)Cl TS48368 [0,2,0,0,0,0|1,0,1]=4 1032 B12R1.16 CCCC(=O)c1ccc(cc1)F TS43085 [0,2,0,0,0,0|1,0,1]=4 1033 B12R1.16 CCCC(=O)c1ccc(cc1)N TS11723 [0,2,0,0,0,0|1,0,1]=4 1034 B12R1.16 CCCC(=O)c1ccc(cc1)O TS42742 [0,2,0,0,0,0|1,0,1]=4 1035 B12R1.16 CNCC(c1ccc(cc1)O)O TS38512 [0,2,0,0,0,0|1,0,0]=3 1036 B12R1.16 CNCC(c1ccc(cc1)O)O TS83006 [0,2,0,0,0,0|1,0,0]=3 1037 B12R1.16 CNC[C@@H](c1ccc(cc1)O)O TS43231 [0,2,0,0,0,0|1,0,0]=3 1038 B12R1.16 Cc1ccc(cc1)C(CCO)N TS12059 [0,2,0,0,0,0|2,0,0]=4 1039 B12R1.16 Cc1ccc(cc1)[C@@H](CCO)N TS12072 [0,2,0,0,0,0|2,0,0]=4 1040 B12R1.16 c1cc(ccc1C(CCO)N)Br TS52948 [0,2,0,0,0,0|2,0,0]=4 1041 B12R1.16 c1cc(ccc1C(CCO)N)F TS59601 [0,2,0,0,0,0|2,0,0]=4 1042 B12R1.16 c1cc(ccc1[C@@H](CCO)N)F TS12687 [0,2,0,0,0,0|2,0,0]=4 1043 B12R1.16 c1cc(ccc1[C@H](CCI)O)F TS54302 [0,2,0,0,0,0|2,0,0]=4 1044 B12R1.21 CC(=O)CCc1ccc(cc1)Cl TS48370 [0,2,0,0,0,0|1,0,0]=3 1045 B12R1.21 CC(=O)CCc1ccc(cc1)O TS11860 [0,2,0,0,0,0|1,0,0]=3 1046 B12R1.21 CC(=O)CSc1ccc(cc1)Cl TS38024 [0,2,0,0,0,0|2,0,0]=4 1047 B12R1.21 CC(=O)CSc1ccc(cc1)F TS15289 [0,2,0,0,0,0|2,0,0]=4 1048 B12R1.21 CC(=O)NCc1ccc(cc1)N TS11902 [0,2,0,0,0,0|2,0,0]=4 1049 B12R1.21 CC(=O)OCc1ccc(cc1)Cl TS48659 [0,2,0,0,0,0|2,0,0]=4 1050 B12R1.21 CC(C)CCc1ccc(cc1)O TS42796 [0,2,0,0,0,0|1,0,0]=3 1051 B12R1.21 CC(C)NCc1ccc(cc1)F TS12408 [0,2,0,0,0,0|2,0,0]=4 1052 B12R1.21 CN(C)CCc1ccc(cc1)N TS11929 [0,2,0,0,0,0|1,0,0]=3 1053 B12R1.21 CN(C)CCc1ccc(cc1)O TS12065 [0,2,0,0,0,0|1,0,0]=3 1054 B12R1.21 CN(C)CCc1ccc(cc1)O TS38185 [0,2,0,0,0,0|1,0,0]=3 1055 B12R1.21 CN(C)CCc1ccc(cc1)O TS70070 [0,2,0,0,0,0|1,0,0]=3 1056 B12R1.21 C[C@@H](CCc1ccc(cc1)O)N TS42954 [0,2,0,0,0,0|1,0,0]=3 1057 B12R1.21 C[C@H](CCc1ccc(cc1)O)O TS93838 [0,2,0,0,0,0|1,0,0]=3 1058 B12R1.21 Cc1ccc(cc1)CCC(=O)O TS42740 [0,2,0,0,0,0|2,0,0]=4 1059 B12R1.21 Cc1ccc(cc1)COC(=O)C TS11893 [0,2,0,0,0,0|2,0,0]=4 1060 B12R1.21 Cc1ccc(cc1)OCC(C)O TS12268 [0,2,0,0,0,0|2,0,0]=4 1061 B12R1.21 c1cc(ccc1CCC(=O)N)O TS12027 [0,2,0,0,0,0|2,0,0]=4 1062 B12R1.21 c1cc(ccc1CCC(=O)O)Br TS09422 [0,2,0,0,0,0|2,0,0]=4 1063 B12R1.21 c1cc(ccc1CCC(=O)O)F TS44855 [0,2,0,0,0,0|2,0,0]=4 1064 B12R1.21 c1cc(ccc1CCC(=O)O)I TS65689 [0,2,0,0,0,0|2,0,0]=4 1065 B12R1.21 c1cc(ccc1CCC(=O)O)N TS09418 [0,2,0,0,0,0|2,0,0]=4 1066 B12R1.21 c1cc(ccc1CCC(=O)O)O TS43042 [0,2,0,0,0,0|2,0,0]=4 1067 B12R1.21 c1cc(ccc1CCC(=O)O)S TS15000 [0,2,0,0,0,0|2,0,0]=4 1068 B12R1.49 CC(Cc1ccc(cc1)O)NC TS42944 [0,2,0,0,0,0|1,0,0]=3 1069 B12R1.49 CCC(C)Oc1ccc(cc1)Cl TS48693 [0,2,0,0,0,0|2,0,0]=4 1070 B12R1.49 COC(=O)Cc1ccc(cc1)Br TS56291 [0,2,0,0,0,0|0,0,1]=3 1071 B12R1.49 COC(=O)Cc1ccc(cc1)N TS38167 [0,2,0,0,0,0|0,0,1]=3 1072 B12R1.49 COC(=O)Cc1ccc(cc1)N TS42886 [0,2,0,0,0,0|0,0,1]=3 1073 B12R1.49 COC(=O)Cc1ccc(cc1)O TS12194 [0,2,0,0,0,0|0,0,1]=3 1074 B12R1.49 Cc1ccc(cc1)CC(=O)OC TS11880 [0,2,0,0,0,0|0,0,1]=3 1075 B12R1.49 c1cc(ccc1CC(CO)N)Cl TS15533 [0,2,0,0,0,0|2,0,0]=4 1076 B12R1.49 c1cc(ccc1C[C@@H](CO)N)Cl TS48808 [0,2,0,0,0,0|2,0,0]=4 1077 B12R1.49 c1cc(ccc1C[C@H](CO)N)Cl TS15530 [0,2,0,0,0,0|2,0,0]=4 1078 B12R1.49 c1cc(ccc1C[C@H](CO)N)O TS43238 [0,2,0,0,0,0|2,0,0]=4 1079 B12R1.69 CCNCc1ccc(cc1Cl)Cl TS38534 [0,2,0,0,0,0|2,0,0]=4 1080 B12R1.69 c1cc(c(cc1F)F)CCC#N TS43193 [0,2,0,0,0,0|2,0,0]=4 1081 B12R1.71 CCCCc1ccc(cc1)C#N TS42078 [0,2,0,0,0,0|1,0,0]=3 1082 B12R1.71 CCCCc1ccc(cc1)C=O TS11589 [0,2,0,0,0,0|1,0,0]=3 1083 B12R1.71 CCCCc1ccc(cc1)CN TS11747 [0,2,0,0,0,0|1,0,0]=3 1084 B12R1.71 CCCCc1ccc(cc1)NN TS19127 [0,2,0,0,0,0|1,0,0]=3 1085 B12R1.71 CCCCc1ccc(cc1)[Mg]Br TS26095 [0,2,0,0,0,0|1,0,0]=3 1086 B12R1.71 CCCOc1ccc(cc1)C#C TS42194 [0,2,0,0,0,0|2,0,0]=4 1087 B12R1.71 CCCOc1ccc(cc1)C#N TS11414 [0,2,0,0,0,0|2,0,0]=4 1088 B12R1.71 CCCOc1ccc(cc1)C=O TS71267 [0,2,0,0,0,0|2,0,0]=4 1089 B12R1.71 CCNCc1ccc(cc1)OC TS12070 [0,2,0,0,0,0|2,0,0]=4 1090 B12R1.71 CNCCc1ccc(cc1)OC TS38183 [0,2,0,0,0,0|1,0,0]=3 1091 B12R1.71 CNCCc1ccc(cc1)OC TS59871 [0,2,0,0,0,0|1,0,0]=3 1092 B12R1.71 COc1ccc(cc1)CCC=O TS11887 [0,2,0,0,0,0|2,0,0]=4 1093 B12R1.71 COc1ccc(cc1)CCCCl TS48683 [0,2,0,0,0,0|2,0,0]=4 1094 B12R1.71 COc1ccc(cc1)CCCN TS12074 [0,2,0,0,0,0|2,0,0]=4 1095 B12R1.71 COc1ccc(cc1)CCCO TS43106 [0,2,0,0,0,0|2,0,0]=4 1096 B12R1.385 CCCCc1ccc(c(c1)C)I TS74425 [0,2,0,0,0,0|1,0,0]=3 1097 B12R1.385 CCCCc1ccc(c(c1)C)N TS42636 [0,2,0,0,0,0|1,0,0]=3 1098 B12R1.385 CCCCc1ccc(c(c1)O)O TS12262 [0,2,0,0,0,0|1,0,0]=3 1099 B12R1.385 CCCOc1ccc(c(c1)N)N TS39514 [0,2,0,0,0,0|2,0,0]=4 1100 B12R1.385 CCCSc1ccc(c(c1)N)N TS15035 [0,2,0,0,0,0|2,0,0]=4 1101 B12R1.385 CNCCc1ccc(c(c1)O)O TS01599 [0,2,0,0,0,0|1,0,0]=3 1102 B12R1.3 CCCC(C#N)c1ccccc1 TS42075 [0,2,0,0,0,0|1,0,0]=3 1103 B12R1.3 c1ccc(cc1)C(CC#N)C#N TS41623 [0,2,0,0,0,0|2,0,0]=4 1104 B12R1.17 CCCC(=O)c1cccc(c1)C TS42482 [0,2,0,0,0,0|1,0,1]=4 1105 B12R1.17 CNCC(=O)c1cccc(c1)O TS38166 [0,2,0,0,0,0|1,0,1]=4 1106 B12R1.17 CNCC(=O)c1cccc(c1)O TS62149 [0,2,0,0,0,0|1,0,1]=4 1107 B12R1.17 CNCC(c1cccc(c1)O)O TS38514 [0,2,0,0,0,0|1,0,0]=3 1108 B12R1.17 CNCC(c1cccc(c1)O)O TS43246 [0,2,0,0,0,0|1,0,0]=3 1109 B12R1.17 CNC[C@@H](c1cccc(c1)O)O TS33090 [0,2,0,0,0,0|1,0,0]=3 1110 B12R1.17 CNC[C@@H](c1cccc(c1)O)O TS61333 [0,2,0,0,0,0|1,0,0]=3 1111 B12R1.17 Cc1cccc(c1)C(CCO)N TS12058 [0,2,0,0,0,0|2,0,0]=4 1112 B12R1.17 c1cc(cc(c1)Br)C(CCO)N TS52950 [0,2,0,0,0,0|2,0,0]=4 1113 B12R1.17 c1cc(cc(c1)Cl)C(CCO)N TS48811 [0,2,0,0,0,0|2,0,0]=4 1114 B12R1.17 c1cc(cc(c1)F)C(CCO)N TS12684 [0,2,0,0,0,0|2,0,0]=4 1115 B12R1.17 c1cc(cc(c1)N)C(CCO)N TS43119 [0,2,0,0,0,0|2,0,0]=4 1116 B12R1.17 c1cc(cc(c1)O)C(CCO)N TS43252 [0,2,0,0,0,0|2,0,0]=4 1117 B12R1.30 CC=CCC(C)c1ccccc1 TS42205 [0,2,0,0,0,0|1,0,0]=3 1118 B12R1.30 CCCCC(=O)c1ccccc1 TS11583 [0,2,0,0,0,0|1,0,0]=3 1119 B12R1.30 CCCCC(=O)c1ccccc1 TS42489 [0,2,0,0,0,0|1,0,0]=3 1120 B12R1.30 CCCCC(c1ccccc1)O TS42804 [0,2,0,0,0,0|1,0,0]=3 1121 B12R1.30 CCCCN(c1ccccc1)N TS11936 [0,2,0,0,0,0|1,0,0]=3 1122 B12R1.30 CCCOC(=O)c1ccccc1 TS11882 [0,2,0,0,0,0|1,0,1]=4 1123 B12R1.30 CCNCC(C)c1ccccc1 TS11759 [0,2,0,0,0,0|1,0,0]=3 1124 B12R1.30 CCSCC(=O)c1ccccc1 TS14653 [0,2,0,0,0,0|0,1,1]=4 1125 B12R1.30 CN(CCC#N)c1ccccc1 TS11283 [0,2,0,0,0,0|2,0,0]=4 1126 B12R1.30 CN(CCCN)c1ccccc1 TS11930 [0,2,0,0,0,0|2,0,0]=4 1127 B12R1.30 CNCCC(c1ccccc1)Cl TS22708 [0,2,0,0,0,0|1,0,0]=3 1128 B12R1.30 CNCCC(c1ccccc1)O TS00158 [0,2,0,0,0,0|1,0,0]=3 1129 B12R1.30 CNCC[C@H](c1ccccc1)O TS94530 [0,2,0,0,0,0|1,0,0]=3 1130 B12R1.30 C[C@@H](c1ccccc1)NCCO TS12067 [0,2,0,0,0,0|2,0,0]=4 1131 B12R1.30 C[C@H](c1ccccc1)NCC=C TS42344 [0,2,0,0,0,0|1,0,1]=4 1132 B12R1.30 C[C@H](c1ccccc1)NCCO TS46579 [0,2,0,0,0,0|2,0,0]=4 1133 B12R1.30 c1cc(cnc1)C(CCCN)N TS12080 [0,2,0,0,0,0|2,0,0]=4 1134 B12R1.30 c1ccc(cc1)C(=O)CCCBr TS16775 [0,2,0,0,0,0|1,0,1]=4 1135 B12R1.30 c1ccnc(c1)C(CCCN)N TS12081 [0,2,0,0,0,0|2,0,0]=4 1136 B12R1.30 c1cnccc1C(CCCN)N TS12079 [0,2,0,0,0,0|2,0,0]=4 1137 B12R1.34 CC(C(=O)c1ccccc1)NC TS18909 [0,2,0,0,0,0|1,0,1]=4 1138 B12R1.34 CC(C(c1ccccc1)O)NC TS42942 [0,2,0,0,0,0|1,0,0]=3 1139 B12R1.34 CCC(C(=O)c1ccccc1)I TS33564 [0,2,0,0,0,0|1,0,1]=4 1140 B12R1.34 CCC(C)C(c1ccccc1)O TS42791 [0,2,0,0,0,0|1,0,0]=3 1141 B12R1.34 COC(=O)C(=O)c1ccccc1 TS00234 [0,2,0,0,0,0|0,0,2]=4 1142 B12R1.34 COC(=O)C(c1ccccc1)Br TS52792 [0,2,0,0,0,0|0,0,1]=3 1143 B12R1.34 COC(=O)C(c1ccccc1)Cl TS15391 [0,2,0,0,0,0|0,0,1]=3 1144 B12R1.34 COC(=O)C(c1ccccc1)F TS44841 [0,2,0,0,0,0|0,0,1]=3 1145 B12R1.34 COC(=O)C(c1ccccc1)O TS12191 [0,2,0,0,0,0|0,0,1]=3 1146 B12R1.34 COC(=O)[C@@H](c1ccccc1)N TS19278 [0,2,0,0,0,0|0,0,1]=3 1147 B12R1.34 COC(=O)[C@@H](c1ccccc1)O TS12187 [0,2,0,0,0,0|0,0,1]=3 1148 B12R1.34 COC(=O)[C@H](c1ccccc1)N TS19277 [0,2,0,0,0,0|0,0,1]=3 1149 B12R1.34 COC(=O)[C@H](c1ccccc1)O TS43052 [0,2,0,0,0,0|0,0,1]=3 1150 B12R1.34 C[C@@H]([C@@H](c1ccccc1)O)NC TS38186 [0,2,0,0,0,0|1,0,0]=3 1151 B12R1.34 C[C@@H]([C@@H](c1ccccc1)O)NC TS52646 [0,2,0,0,0,0|1,0,0]=3 1152 B12R1.34 C[C@@H]([C@H](c1ccccc1)O)NC TS38184 [0,2,0,0,0,0|1,0,0]=3 1153 B12R1.34 C[C@@H]([C@H](c1ccccc1)O)NC TS42938 [0,2,0,0,0,0|1,0,0]=3 1154 B12R1.34 C[C@H]([C@H](c1ccccc1)O)NC TS16810 [0,2,0,0,0,0|1,0,0]=3 1155 B12R1.34 c1ccc(cc1)C(C(C=O)Br)Br TS35452 [0,2,0,0,0,0|2,0,0]=4 1156 B12R1.39 CC(C)(C[Mg]Cl)c1ccccc1 TS17592 [0,2,0,0,0,0|2,0,0]=4 1157 B12R1.39 CC(CC=C)(c1ccccc1)O TS11584 [0,2,0,0,0,0|1,0,1]=4 1158 B12R1.39 CCCC(C)(c1ccccc1)O TS42784 [0,2,0,0,0,0|1,0,0]=3 1159 B12R1.107 CC(=O)CC(=O)c1ccccc1 TS42435 [0,2,0,0,0,0|1,0,1]=4 1160 B12R1.107 CC(C)CC(c1ccccc1)N TS42635 [0,2,0,0,0,0|1,0,0]=3 1161 B12R1.107 CC(CC(=O)O)c1ccccc1 TS42755 [0,2,0,0,0,0|2,0,0]=4 1162 B12R1.107 CC(c1ccccc1)NC(=O)C TS11732 [0,2,0,0,0,0|2,0,0]=4 1163 B12R1.107 CC(c1ccccc1)OC(=O)C TS39949 [0,2,0,0,0,0|2,0,0]=4 1164 B12R1.107 CN(C)C[C@H](c1ccccc1)O TS42950 [0,2,0,0,0,0|1,0,0]=3 1165 B12R1.107 C[C@@H](CC(=O)O)c1ccccc1 TS42738 [0,2,0,0,0,0|2,0,0]=4 1166 B12R1.107 C[C@@H](c1ccccc1)NC(=O)C TS11712 [0,2,0,0,0,0|2,0,0]=4 1167 B12R1.107 C[C@@H](c1ccccc1)NC(C)C TS37829 [0,2,0,0,0,0|2,0,0]=4 1168 B12R1.107 C[C@H](CC(=O)O)c1ccccc1 TS42736 [0,2,0,0,0,0|2,0,0]=4 1169 B12R1.107 C[C@H](c1ccccc1)NC(=O)C TS11718 [0,2,0,0,0,0|2,0,0]=4 1170 B12R1.107 C[C@H](c1ccccc1)NC(C)C TS37827 [0,2,0,0,0,0|2,0,0]=4 1171 B12R1.107 C[S+](C)CC(=O)c1ccccc1 TS29651 [0,2,0,0,0,0|0,1,1]=4 1172 B12R1.107 C[S+](C)CC(=O)c1ccccc1 TS30492 [0,2,0,0,0,0|0,1,1]=4 1173 B12R1.107 c1ccc(cc1)C(CC(=O)O)Br TS52783 [0,2,0,0,0,0|2,0,0]=4 1174 B12R1.107 c1ccc(cc1)C(CC(=O)O)N TS65071 [0,2,0,0,0,0|2,0,0]=4 1175 B12R1.107 c1ccc(cc1)C(CC(=O)O)O TS12188 [0,2,0,0,0,0|2,0,0]=4 1176 B12R1.107 c1ccc(cc1)C(C[N+](=O)[O-])O TS43216 [0,2,0,0,0,0|2,0,0]=4 1177 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)O TS43028 [0,2,0,0,0,0|2,0,0]=4 1178 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)N TS46535 [0,2,0,0,0,0|2,0,0]=4 1179 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)O TS43030 [0,2,0,0,0,0|2,0,0]=4 1180 B12R1.308 CCCC(=O)c1ccccc1O TS42728 [0,2,0,0,0,0|1,0,1]=4 1181 B12R1.308 CCCC(C)c1ccccc1O TS42783 [0,2,0,0,0,0|1,0,0]=3 1182 B12R1.308 c1ccc(c(c1)C(CCO)N)Cl TS48804 [0,2,0,0,0,0|2,0,0]=4 1183 B12R1.308 c1ccc(c(c1)C(CCO)N)N TS43120 [0,2,0,0,0,0|2,0,0]=4 1184 B12R1.25 CCCOc1cccc(c1F)F TS13133 [0,2,0,0,0,0|2,0,0]=4 1185 B12R1.25 c1cc(c(c(c1)F)F)CCC#N TS43192 [0,2,0,0,0,0|2,0,0]=4 1186 B12R1.121 CCCOc1ccccc1C=O TS42729 [0,2,0,0,0,0|2,0,0]=4 1187 B12R1.121 CNCCc1ccccc1CO TS12075 [0,2,0,0,0,0|1,0,0]=3 1188 B12R1.121 COc1ccccc1CCCN TS42943 [0,2,0,0,0,0|2,0,0]=4 1189 B12R1.121 COc1ccccc1CCCO TS43116 [0,2,0,0,0,0|2,0,0]=4 1190 B12R1.125 CC(=O)NCc1ccccc1Br TS24458 [0,2,0,0,0,0|2,0,0]=4 1191 B12R1.125 Cc1ccccc1CCC(=O)O TS11858 [0,2,0,0,0,0|2,0,0]=4 1192 B12R1.125 Cc1ccccc1COC(=O)C TS42751 [0,2,0,0,0,0|2,0,0]=4 1193 B12R1.125 Cc1ccccc1OCC(C)O TS12256 [0,2,0,0,0,0|2,0,0]=4 1194 B12R1.125 c1ccc(c(c1)CCC(=O)N)O TS42899 [0,2,0,0,0,0|2,0,0]=4 1195 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br TS65670 [0,2,0,0,0,0|2,0,0]=4 1196 B12R1.125 c1ccc(c(c1)CCC(=O)O)Cl TS15380 [0,2,0,0,0,0|2,0,0]=4 1197 B12R1.125 c1ccc(c(c1)CCC(=O)O)F TS00179 [0,2,0,0,0,0|2,0,0]=4 1198 B12R1.125 c1ccc(c(c1)CCC(=O)O)I TS31068 [0,2,0,0,0,0|2,0,0]=4 1199 B12R1.125 c1ccc(c(c1)CCC(=O)O)O TS43049 [0,2,0,0,0,0|2,0,0]=4 1200 B12R1.267 C=CCOCc1ccccc1Br TS52461 [0,2,0,0,0,0|1,0,1]=4 1201 B12R1.267 CCNCCc1ccccc1F TS12407 [0,2,0,0,0,0|1,0,0]=3 1202 B12R1.267 Cc1ccccc1OCCCBr TS24686 [0,2,0,0,0,0|2,0,0]=4 1203 B12R1.267 c1ccc(c(c1)N)SCCC#N TS14262 [0,2,0,0,0,0|2,0,0]=4 1204 B12R1.267 c1ccc(c(c1)NCCC#N)Cl TS48019 [0,2,0,0,0,0|2,0,0]=4 1205 B12R1.267 c1ccc(c(c1)OCCCBr)Br TS58443 [0,2,0,0,0,0|2,0,0]=4 1206 B12R1.371 COC(=O)Cc1c(cccn1)Br TS88741 [0,2,0,0,0,0|1,0,1]=4 1207 B12R1.371 COC(=O)Cc1ccccc1Br TS52795 [0,2,0,0,0,0|0,0,1]=3 1208 B12R1.371 COC(=O)Cc1ccccc1F TS02004 [0,2,0,0,0,0|0,0,1]=3 1209 B12R1.371 COC(=O)Cc1ccccc1N TS38170 [0,2,0,0,0,0|0,0,1]=3 1210 B12R1.371 COC(=O)Cc1ccccc1N TS39893 [0,2,0,0,0,0|0,0,1]=3 1211 B12R1.371 COC(=O)Cc1ccccc1O TS12181 [0,2,0,0,0,0|0,0,1]=3 1212 B12R1.371 Cc1ccccc1CC(=O)OC TS11862 [0,2,0,0,0,0|0,0,1]=3 1213 B12R1.1631 CCNCc1c(cccc1Cl)F TS50629 [0,2,0,0,0,0|2,0,0]=4 1214 B12R1.1631 [C-]#[N+]CCc1c(cccc1Cl)Cl TS37841 [0,2,0,0,0,0|1,0,1]=4 1215 B12R1.28 CCCCCc1cccc(=O)o1 TS12253 [0,2,0,0,0,0|2,0,0]=4 1216 B12R1.28 CCCCCc1cccc(c1)O TS42792 [0,2,0,0,0,0|1,0,0]=3 1217 B12R1.28 CCCCNc1cccc(c1)C TS11758 [0,2,0,0,0,0|1,0,0]=3 1218 B12R1.28 CCCCOc1cccc(c1)O TS12260 [0,2,0,0,0,0|1,0,0]=3 1219 B12R1.28 Cc1cccc(c1)NCCC#N TS11287 [0,2,0,0,0,0|2,0,0]=4 1220 B12R1.28 Cc1cccc(c1)OCCCBr TS24687 [0,2,0,0,0,0|2,0,0]=4 1221 B12R1.50 COC(=O)Cc1cccc(c1)Cl TS32710 [0,2,0,0,0,0|0,0,1]=3 1222 B12R1.50 COC(=O)Cc1cccc(c1)F TS12507 [0,2,0,0,0,0|0,0,1]=3 1223 B12R1.50 COC(=O)Cc1cccc(c1)N TS65476 [0,2,0,0,0,0|0,0,1]=3 1224 B12R1.50 COC(=O)Cc1cccc(c1)O TS60013 [0,2,0,0,0,0|0,0,1]=3 1225 B12R1.50 COC(=O)Nc1cccc(c1)O TS12373 [0,2,0,0,0,0|1,0,1]=4 1226 B12R1.50 Cc1cccc(c1)CC(=O)OC TS42759 [0,2,0,0,0,0|0,0,1]=3 1227 B12R1.226 Cc1cccc(c1)CCC(=O)O TS11878 [0,2,0,0,0,0|2,0,0]=4 1228 B12R1.226 Cc1cccc(c1)OCC(C)O TS43103 [0,2,0,0,0,0|2,0,0]=4 1229 B12R1.226 c1cc(cc(c1)Br)CCC(=O)O TS09412 [0,2,0,0,0,0|2,0,0]=4 1230 B12R1.226 c1cc(cc(c1)F)CCC(=O)O TS44844 [0,2,0,0,0,0|2,0,0]=4 1231 B12R1.226 c1cc(cc(c1)I)CCC(=O)O TS31076 [0,2,0,0,0,0|2,0,0]=4 1232 B12R1.226 c1cc(cc(c1)N)CCC(=O)O TS09411 [0,2,0,0,0,0|2,0,0]=4 1233 B12R1.226 c1cc(cc(c1)N)CCC(=O)O TS19280 [0,2,0,0,0,0|2,0,0]=4 1234 B12R1.226 c1cc(cc(c1)O)CCC(=O)O TS43037 [0,2,0,0,0,0|2,0,0]=4 1235 B12R1.382 CNc1cccc(c1)CCCO TS02840 [0,2,0,0,0,0|2,0,0]=4 1236 B12R1.382 COCOc1cccc(c1)C=O TS12186 [0,2,0,0,0,0|1,0,0]=3 1237 B12R1.382 COc1cccc(c1)CCCN TS42939 [0,2,0,0,0,0|2,0,0]=4 1238 B12R1.382 COc1cccc(c1)CCCO TS12259 [0,2,0,0,0,0|2,0,0]=4 1239 B12R1.8 C=CCCNCc1ccccc1 TS42353 [0,2,0,0,0,0|1,0,1]=4 1240 B12R1.8 C=CCOCCc1ccccc1 TS11590 [0,2,0,0,0,0|0,0,0]=2 1241 B12R1.8 CC#CCCCc1ccccc1 TS41962 [0,2,0,0,0,0|1,0,0]=3 1242 B12R1.8 CC#CCNCc1ccccc1 TS42081 [0,2,0,0,0,0|1,0,0]=3 1243 B12R1.8 CC=CCCCc1ccccc1 TS42215 [0,2,0,0,0,0|1,0,0]=3 1244 B12R1.8 CCCCC#Cc1ccccc1 TS41955 [0,2,0,0,0,0|1,0,0]=3 1245 B12R1.8 CCCCCC[n+]1ccccc1 TS37828 [0,2,0,0,0,0|2,0,0]=4 1246 B12R1.8 CCCCCCc1ccccc1 TS11621 [0,2,0,0,0,0|1,0,0]=3 1247 B12R1.8 CCCCCCc1ccccn1 TS42629 [0,2,0,0,0,0|2,0,0]=4 1248 B12R1.8 CCCCCCc1cccnc1 TS11745 [0,2,0,0,0,0|2,0,0]=4 1249 B12R1.8 CCCCCNc1ccccc1 TS42630 [0,2,0,0,0,0|1,0,0]=3 1250 B12R1.8 CCCCN=Cc1ccccc1 TS42355 [0,2,0,0,0,0|1,0,0]=3 1251 B12R1.8 CCCCOCc1ccccc1 TS42802 [0,2,0,0,0,0|1,0,0]=3 1252 B12R1.8 CCCNCCc1ccccn1 TS11944 [0,2,0,0,0,0|2,0,0]=4 1253 B12R1.8 CCCOCCc1ccccn1 TS42951 [0,2,0,0,0,0|1,0,0]=3 1254 B12R1.8 CNCCC=Cc1cccnc1 TS34020 [0,2,0,0,0,0|2,0,0]=4 1255 B12R1.8 CNCCCCc1cccnc1 TS42807 [0,2,0,0,0,0|2,0,0]=4 1256 B12R1.8 CNCCNCc1ccccc1 TS11928 [0,2,0,0,0,0|1,0,0]=3 1257 B12R1.8 c1ccc(cc1)C#CCCCO TS42195 [0,2,0,0,0,0|1,0,1]=4 1258 B12R1.8 c1ccc(cc1)C=CCOC=O TS11544 [0,2,0,0,0,0|0,0,2]=4 1259 B12R1.8 c1ccc(cc1)CCCCCBr TS24328 [0,2,0,0,0,0|1,0,0]=3 1260 B12R1.8 c1ccc(cc1)CCCCCN TS11750 [0,2,0,0,0,0|1,0,0]=3 1261 B12R1.8 c1ccc(cc1)CCCN=C=S TS14092 [0,2,0,0,0,0|1,0,1]=4 1262 B12R1.8 c1ccc(cc1)CCCOC=O TS11872 [0,2,0,0,0,0|0,0,1]=3 1263 B12R1.8 c1ccc(cc1)CCOCC=O TS42741 [0,2,0,0,0,0|0,0,0]=2 1264 B12R1.8 c1ccc(cc1)CNCCCN TS11942 [0,2,0,0,0,0|1,0,0]=3 1265 B12R1.8 c1ccc(cc1)CNCCCO TS56364 [0,2,0,0,0,0|1,0,0]=3 1266 B12R1.8 c1ccc(cc1)COCCC#N TS42314 [0,2,0,0,0,0|1,0,1]=4 1267 B12R1.8 c1ccc(cc1)COCCC=O TS42734 [0,2,0,0,0,0|1,0,1]=4 1268 B12R1.8 c1ccc(cc1)COCCCBr TS01376 [0,2,0,0,0,0|1,0,0]=3 1269 B12R1.8 c1ccc(cc1)COCCCCl TS48686 [0,2,0,0,0,0|1,0,0]=3 1270 B12R1.8 c1ccc(cc1)COCCCO TS12246 [0,2,0,0,0,0|1,0,0]=3 1271 B12R1.8 c1ccc(cc1)OCCCCCl TS48684 [0,2,0,0,0,0|1,0,0]=3 1272 B12R1.8 c1ccc(cc1)OCCCCN TS12069 [0,2,0,0,0,0|1,0,0]=3 1273 B12R1.27 CC(CCc1ccccc1)[N+]#[C-] TS42077 [0,2,0,0,0,0|1,0,0]=3 1274 B12R1.27 CC(CO)NCc1ccccc1 TS12060 [0,2,0,0,0,0|2,0,0]=4 1275 B12R1.27 CCC(=O)CCc1ccccc1 TS08927 [0,2,0,0,0,0|1,0,0]=3 1276 B12R1.27 CCC(=O)OCc1ccccc1 TS42731 [0,2,0,0,0,0|1,0,1]=4 1277 B12R1.27 CCC(C#Cc1ccccc1)O TS42190 [0,2,0,0,0,0|1,0,1]=4 1278 B12R1.27 CNC(=S)NCc1ccccc1 TS14661 [0,2,0,0,0,0|1,0,1]=4 1279 B12R1.27 COC(=O)C#Cc1ccccc1 TS42134 [0,2,0,0,0,0|0,0,2]=4 1280 B12R1.27 COC(=O)C=Cc1ccccc1 TS42433 [0,2,0,0,0,0|0,0,2]=4 1281 B12R1.27 COC(=O)CCc1ccccc1 TS08580 [0,2,0,0,0,0|0,0,0]=2 1282 B12R1.27 COC(=O)CCc1ccncc1 TS12012 [0,2,0,0,0,0|1,0,0]=3 1283 B12R1.27 COC(=O)COc1ccccc1 TS12178 [0,2,0,0,0,0|0,0,1]=3 1284 B12R1.27 COC(=O)CSc1ccccc1 TS15002 [0,2,0,0,0,0|0,0,1]=3 1285 B12R1.27 CSC(=S)NCc1ccccc1 TS18500 [0,2,0,0,0,0|0,1,1]=4 1286 B12R1.27 C[C@@H](CO)NCc1ccccc1 TS42935 [0,2,0,0,0,0|2,0,0]=4 1287 B12R1.27 c1ccc(cc1)CCC(=O)NN TS42773 [0,2,0,0,0,0|2,0,0]=4 1288 B12R1.27 c1ccc(cc1)CCC(=O)NO TS42907 [0,2,0,0,0,0|2,0,0]=4 1289 B12R1.27 c1ccc(cc1)CNC(=O)CBr TS24462 [0,2,0,0,0,0|2,0,0]=4 1290 B12R1.27 c1ccc(cc1)CNC(=O)CCl TS48489 [0,2,0,0,0,0|2,0,0]=4 1291 B12R1.27 c1ccc(cc1)COC(=O)CBr TS59636 [0,2,0,0,0,0|2,0,0]=4 1292 B12R1.27 c1ccc(cc1)COC(=O)CCl TS48661 [0,2,0,0,0,0|2,0,0]=4 1293 B12R1.27 c1ccc(cc1)COC(=O)CN TS01384 [0,2,0,0,0,0|2,0,0]=4 1294 B12R1.27 c1ccc(cc1)COC(=O)CN TS42888 [0,2,0,0,0,0|2,0,0]=4 1295 B12R1.27 c1ccc(cc1)COC(=O)CN TS78338 [0,2,0,0,0,0|2,0,0]=4 1296 B12R1.27 c1ccc(cc1)COC(=O)CO TS12174 [0,2,0,0,0,0|2,0,0]=4 1297 B12R1.27 c1ccc(cc1)COC(=O)CS TS15006 [0,2,0,0,0,0|2,0,0]=4 1298 B12R1.27 c1ccc(cc1)OCC(=O)OBr TS53117 [0,2,0,0,0,0|1,0,1]=4 1299 B12R1.27 c1ccc(cc1)OCC(CN)O TS43251 [0,2,0,0,0,0|2,0,0]=4 1300 B12R1.27 c1ccc(cc1)OCC(CO)O TS44861 [0,2,0,0,0,0|2,0,0]=4 1301 B12R1.32 C=COC(=O)Cc1ccccc1 TS11548 [0,2,0,0,0,0|0,0,2]=4 1302 B12R1.32 CCCC(=O)Cc1ccccc1 TS11593 [0,2,0,0,0,0|1,0,0]=3 1303 B12R1.32 CCCC(C)Cc1ccccc1 TS11628 [0,2,0,0,0,0|1,0,0]=3 1304 B12R1.32 CCNC(C)Cc1ccccc1 TS11746 [0,2,0,0,0,0|1,0,0]=3 1305 B12R1.32 CCOC(=O)C[n+]1ccccc1 TS19281 [0,2,0,0,0,0|1,0,1]=4 1306 B12R1.32 CCOC(=O)C[n+]1ccccc1 TS27413 [0,2,0,0,0,0|1,0,1]=4 1307 B12R1.32 CCOC(=O)Cc1ccccc1 TS64894 [0,2,0,0,0,0|0,0,1]=3 1308 B12R1.32 CCOC(=O)Cc1ccccn1 TS08500 [0,2,0,0,0,0|1,0,1]=4 1309 B12R1.32 CCOC(=O)Cc1cccnc1 TS55929 [0,2,0,0,0,0|1,0,1]=4 1310 B12R1.32 CCOC(=O)Cc1ccncc1 TS01476 [0,2,0,0,0,0|1,0,1]=4 1311 B12R1.32 CCOC(=O)Nc1ccccc1 TS42904 [0,2,0,0,0,0|1,0,1]=4 1312 B12R1.32 CN(CCN)Cc1ccccc1 TS64933 [0,2,0,0,0,0|2,0,0]=4 1313 B12R1.32 CN(CCO)Cc1ccccc1 TS42946 [0,2,0,0,0,0|2,0,0]=4 1314 B12R1.32 CNCC(=O)Cc1ccccc1 TS37811 [0,2,0,0,0,0|1,0,0]=3 1315 B12R1.32 COC[C@H](Cc1ccccc1)N TS38188 [0,2,0,0,0,0|0,0,0]=2 1316 B12R1.32 c1ccc(cc1)CC(=O)CC#N TS11139 [0,2,0,0,0,0|2,0,0]=4 1317 B12R1.252 CC(=O)CSCc1ccccc1 TS14651 [0,2,0,0,0,0|1,0,0]=3 1318 B12R1.252 CC(=O)NCCc1ccccc1 TS42602 [0,2,0,0,0,0|1,0,0]=3 1319 B12R1.252 CC(=O)OCCc1ccccc1 TS11854 [0,2,0,0,0,0|0,0,0]=2 1320 B12R1.252 CC(CCCc1ccccc1)F TS12271 [0,2,0,0,0,0|1,0,0]=3 1321 B12R1.252 CN(C)CCCc1ccncc1 TS11940 [0,2,0,0,0,0|2,0,0]=4 1322 B12R1.252 C[C@@H](COCc1ccccc1)O TS43107 [0,2,0,0,0,0|1,0,0]=3 1323 B12R1.252 C[C@H](CCCc1cccnc1)N TS11933 [0,2,0,0,0,0|2,0,0]=4 1324 B12R1.252 C[C@H](COCc1ccccc1)O TS43112 [0,2,0,0,0,0|1,0,0]=3 1325 B12R1.252 c1ccc(cc1)CCCC(=O)Cl TS48364 [0,2,0,0,0,0|1,0,1]=4 1326 B12R1.252 c1ccc(cc1)CCC[SiH](Cl)Cl TS49568 [0,2,0,0,0,0|1,1,0]=4 1327 B12R1.252 c1ccc(cc1)COCC(=O)Cl TS55761 [0,2,0,0,0,0|2,0,0]=4 1328 B12R1.252 c1ccc(cc1)COCC(=O)O TS09024 [0,2,0,0,0,0|2,0,0]=4 1329 B12R1.252 c1ccc(cc1)CSCC(=O)N TS14831 [0,2,0,0,0,0|2,0,0]=4 1330 B12R1.252 c1ccc(cc1)CSCC(=O)O TS15003 [0,2,0,0,0,0|2,0,0]=4 1331 B12R1.252 c1ccc(cc1)NCCC(=O)N TS11897 [0,2,0,0,0,0|2,0,0]=4 1332 B12R1.252 c1ccc(cc1)NCCC(=O)O TS42898 [0,2,0,0,0,0|2,0,0]=4 1333 B12R1.252 c1ccc(cc1)OCCC(=O)O TS43043 [0,2,0,0,0,0|2,0,0]=4 1334 B12R1.252 c1ccc(cc1)SCCC(=O)O TS15008 [0,2,0,0,0,0|2,0,0]=4 1335 B12R1.43 CC(C(=O)C)Oc1ccccc1 TS11848 [0,2,0,0,0,0|2,0,0]=4 1336 B12R1.43 CC(C)C(=O)Cc1ccccc1 TS11588 [0,2,0,0,0,0|1,0,1]=4 1337 B12R1.43 CN(C)C(=O)Cc1ccccc1 TS42597 [0,2,0,0,0,0|1,0,1]=4 1338 B12R1.43 c1ccc(cc1)CC(C(=O)N)N TS38014 [0,2,0,0,0,0|2,0,0]=4 1339 B12R1.43 c1ccc(cc1)CC(C(=O)O)Br TS52786 [0,2,0,0,0,0|2,0,0]=4 1340 B12R1.43 c1ccc(cc1)CC(C(=O)O)N TS43080 [0,2,0,0,0,0|2,0,0]=4 1341 B12R1.43 c1ccc(cc1)CC(C(=O)O)N TS55882 [0,2,0,0,0,0|2,0,0]=4 1342 B12R1.43 c1ccc(cc1)CC(C(=O)O)O TS43054 [0,2,0,0,0,0|2,0,0]=4 1343 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N TS07935 [0,2,0,0,0,0|2,0,0]=4 1344 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N TS38013 [0,2,0,0,0,0|2,0,0]=4 1345 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N TS01531 [0,2,0,0,0,0|2,0,0]=4 1346 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O TS56210 [0,2,0,0,0,0|2,0,0]=4 1347 B12R1.43 c1ccc(cc1)C[C@H](C(=O)N)N TS38015 [0,2,0,0,0,0|2,0,0]=4 1348 B12R1.43 c1ccc(cc1)C[C@H](C(=O)N)N TS42770 [0,2,0,0,0,0|2,0,0]=4 1349 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Br TS52787 [0,2,0,0,0,0|2,0,0]=4 1350 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Cl TS15389 [0,2,0,0,0,0|2,0,0]=4 1351 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N TS08006 [0,2,0,0,0,0|2,0,0]=4 1352 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)O TS12176 [0,2,0,0,0,0|2,0,0]=4 1353 B12R1.118 CCN(CC)Cc1ccccc1 TS42632 [0,2,0,0,0,0|2,0,0]=4 1354 B12R1.118 COC(Cc1ccccc1)OC TS12247 [0,2,0,0,0,0|0,0,0]=2 1355 B12R1.118 COC(OC)[SiH2]c1ccccc1 TS48321 [0,2,0,0,0,0|0,1,0]=3 1356 B12R1.118 CO[SiH](Cc1ccccc1)C=C TS14283 [0,2,0,0,0,0|0,1,0]=3 1357 B12R1.194 CC(C)(Cc1ccccc1)C=O TS11594 [0,2,0,0,0,0|2,0,0]=4 1358 B12R1.194 CC(C)(Cc1ccccc1)NC TS11761 [0,2,0,0,0,0|1,0,0]=3 1359 B12R1.194 CC(C)(Cc1ccccc1)NC TS69953 [0,2,0,0,0,0|1,0,0]=3 1360 B12R1.891 CC(C)(C)NCc1ccccc1 TS42633 [0,2,0,0,0,0|2,0,0]=4 1361 B12R1.891 CC(C)(CCc1ccccc1)O TS42782 [0,2,0,0,0,0|1,0,0]=3 1362 B12R1.891 C[Si](C)(C)C[Se]c1ccccc1 TS57864 [0,2,0,0,0,0|2,0,0]=4 1363 B12R1.891 C[Si](C)(C)OCc1ccccc1 TS47979 [0,2,0,0,0,0|2,0,0]=4 1364 B12R1.891 C[Si](C)(CCc1ccccc1)Cl TS18747 [0,2,0,0,0,0|1,0,0]=3 1365 B12R1.891 c1ccc(cc1)CCC(F)(F)F TS13458 [0,2,0,0,0,0|2,0,0]=4 1366 B12R1.891 c1ccc(cc1)CCS(=O)(=O)Cl TS38724 [0,2,0,0,0,0|1,1,0]=4 1367 B12R1.891 c1ccc(cc1)CC[Si](Cl)(Cl)Cl TS26414 [0,2,0,0,0,0|2,0,0]=4 1368 B10R2.6 c1ccc(cc1)C2CC2 TS32348 [1,0,0,1,0,0|0,0,0]=2 1369 B10R2.6 c1ccc(cc1)C2CO2 TS04809 [1,0,0,1,0,0|0,0,0]=2 1370 B10R2.6 c1ccc(cc1)[C@@H]2CO2 TS59486 [1,0,0,1,0,0|0,0,0]=2 1371 B10R2.6 c1ccc(cc1)[C@H]2CO2 TS59491 [1,0,0,1,0,0|0,0,0]=2 1372 B10R2.6 c1cnc(nc1)C2CC2 TS89415 [1,0,0,1,0,0|2,0,0]=4 1373 B10R2.7 B1Oc2ccccc2O1 TS39809 [1,0,0,1,0,0|2,0,0]=4 1374 B10R2.7 C1CC2=C(C1)CC=CC2 TS04827 [1,0,0,1,0,0|0,0,2]=4 1375 B10R2.7 C1CC2C=CC=CC2C1 TS61035 [1,0,0,1,0,0|0,0,2]=4 1376 B10R2.7 C1CC2C=CC=CC2C1 TS64668 [1,0,0,1,0,0|0,0,2]=4 1377 B10R2.7 C1CC2C=CC=CC2C1 TS78604 [1,0,0,1,0,0|0,0,2]=4 1378 B10R2.7 C1CC2C=CC=CC2C1 TS80786 [1,0,0,1,0,0|0,0,2]=4 1379 B10R2.7 c1cc2c(nc1)CCC2 TS00545 [1,0,0,1,0,0|1,0,0]=3 1380 B10R2.7 c1cc2c(nc1)CNC2 TS01200 [1,0,0,1,0,0|2,0,0]=4 1381 B10R2.7 c1cc2c(nc1)CNC2 TS90710 [1,0,0,1,0,0|2,0,0]=4 1382 B10R2.7 c1cc2c(nc1)NCC2 TS55646 [1,0,0,1,0,0|2,0,0]=4 1383 B10R2.7 c1ccc2c(c1)CC=C2 TS21648 [1,0,0,1,0,0|0,0,2]=4 1384 B10R2.7 c1ccc2c(c1)CC=C2 TS39603 [1,0,0,1,0,0|0,0,2]=4 1385 B10R2.7 c1ccc2c(c1)CCC2 TS77139 [1,0,0,1,0,0|0,0,0]=2 1386 B10R2.7 c1ccc2c(c1)CCN2 TS00565 [1,0,0,1,0,0|1,0,0]=3 1387 B10R2.7 c1ccc2c(c1)CCO2 TS00572 [1,0,0,1,0,0|0,0,0]=2 1388 B10R2.7 c1ccc2c(c1)CNN2 TS04812 [1,0,0,1,0,0|2,0,0]=4 1389 B10R2.7 c1ccc2c(c1)COC2 TS04810 [1,0,0,1,0,0|0,0,0]=2 1390 B10R2.7 c1ccc2c(c1)NCN2 TS04813 [1,0,0,1,0,0|2,0,0]=4 1391 B10R2.7 c1ccc2c(c1)OCO2 TS39811 [1,0,0,1,0,0|1,0,0]=3 1392 B10R2.7 c1ccc2c(c1)SCS2 TS26450 [1,0,0,1,0,0|1,1,0]=4 1393 B10R2.7 c1ccc2c(c1)cco2 TS39813 [1,0,0,1,0,0|0,0,2]=4 1394 B10R2.7 c1ccc2c(c1)cno2 TS32395 [1,0,0,1,0,0|1,0,1]=4 1395 B10R2.7 c1ccc2c(c1)con2 TS32394 [1,0,0,1,0,0|1,0,1]=4 1396 B10R2.7 c1ccc2c(c1)nco2 TS32393 [1,0,0,1,0,0|1,0,1]=4 1397 B10R2.7 c1ccc2c(c1)non2 TS47106 [1,0,0,1,0,0|2,0,0]=4 1398 B10R2.7 c1cncc2c1CNC2 TS00566 [1,0,0,1,0,0|2,0,0]=4 1399 B10R2.7 c1cncc2c1CNC2 TS41735 [1,0,0,1,0,0|2,0,0]=4 1400 B10R2.320 c1ccc2c(c1)CC2=O TS55758 [1,0,0,1,0,0|0,0,2]=4 1401 B10R2.320 c1ccc2c(c1)CC2Br TS48022 [1,0,0,1,0,0|1,0,0]=3 1402 B12R2.24 CC1CCc2ccccc2N1 TS59877 [0,1,0,1,0,0|1,0,0]=3 1403 B12R2.24 CC1COc2ccccc2N1 TS40752 [0,1,0,1,0,0|2,0,0]=4 1404 B12R2.24 CC1Cc2ccccc2CN1 TS40571 [0,1,0,1,0,0|1,0,0]=3 1405 B12R2.24 Cc1ccc2c(c1)CCCC2 TS07265 [0,1,0,1,0,0|1,0,0]=3 1406 B12R2.24 Cc1ccc2c(c1)CCCN2 TS46763 [0,1,0,1,0,0|2,0,0]=4 1407 B12R2.24 Cc1ccc2c(c1)CCNC2 TS85130 [0,1,0,1,0,0|1,0,0]=3 1408 B12R2.24 Cc1ccc2c(c1)CNCC2 TS15211 [0,1,0,1,0,0|1,0,0]=3 1409 B12R2.24 Cc1ccc2c(c1)CNCC2 TS55689 [0,1,0,1,0,0|1,0,0]=3 1410 B12R2.24 Cc1ccc2c(c1)NCCC2 TS15213 [0,1,0,1,0,0|2,0,0]=4 1411 B12R2.24 Cc1ccc2c(n1)CCCC2 TS07372 [0,1,0,1,0,0|2,0,0]=4 1412 B12R2.24 c1c(cnc2c1CCNC2)Br TS86787 [0,1,0,1,0,0|2,0,0]=4 1413 B12R2.24 c1c(cnc2c1CNCC2)Br TS21456 [0,1,0,1,0,0|2,0,0]=4 1414 B12R2.24 c1c(cnc2c1CNCC2)N TS94339 [0,1,0,1,0,0|2,0,0]=4 1415 B12R2.24 c1c(cnc2c1CNCC2)O TS40878 [0,1,0,1,0,0|2,0,0]=4 1416 B12R2.24 c1cc(nc2c1CNCC2)Cl TS00905 [0,1,0,1,0,0|2,0,0]=4 1417 B12R2.24 c1cc2c(cc1Br)C=CCC2 TS20693 [0,1,0,1,0,0|1,0,1]=4 1418 B12R2.24 c1cc2c(cc1Br)CCCN2 TS86204 [0,1,0,1,0,0|2,0,0]=4 1419 B12R2.24 c1cc2c(cc1Br)CCCO2 TS21450 [0,1,0,1,0,0|2,0,0]=4 1420 B12R2.24 c1cc2c(cc1Br)CCNC2 TS27817 [0,1,0,1,0,0|1,0,0]=3 1421 B12R2.24 c1cc2c(cc1Br)CCNC2 TS90722 [0,1,0,1,0,0|1,0,0]=3 1422 B12R2.24 c1cc2c(cc1Br)CNCC2 TS55650 [0,1,0,1,0,0|1,0,0]=3 1423 B12R2.24 c1cc2c(cc1Br)CNCC2 TS55651 [0,1,0,1,0,0|1,0,0]=3 1424 B12R2.24 c1cc2c(cc1Br)NCCC2 TS55652 [0,1,0,1,0,0|2,0,0]=4 1425 B12R2.24 c1cc2c(cc1Br)OCOC2 TS44635 [0,1,0,1,0,0|1,0,0]=3 1426 B12R2.24 c1cc2c(cc1Cl)C=CCC2 TS11962 [0,1,0,1,0,0|1,0,1]=4 1427 B12R2.24 c1cc2c(cc1Cl)CCNC2 TS00906 [0,1,0,1,0,0|1,0,0]=3 1428 B12R2.24 c1cc2c(cc1Cl)CCNC2 TS60093 [0,1,0,1,0,0|1,0,0]=3 1429 B12R2.24 c1cc2c(cc1Cl)NCCC2 TS38541 [0,1,0,1,0,0|2,0,0]=4 1430 B12R2.24 c1cc2c(cc1F)C=CCC2 TS07450 [0,1,0,1,0,0|1,0,1]=4 1431 B12R2.24 c1cc2c(cc1F)CCNC2 TS10052 [0,1,0,1,0,0|1,0,0]=3 1432 B12R2.24 c1cc2c(cc1F)CCNC2 TS59734 [0,1,0,1,0,0|1,0,0]=3 1433 B12R2.24 c1cc2c(cc1F)CNCC2 TS10056 [0,1,0,1,0,0|1,0,0]=3 1434 B12R2.24 c1cc2c(cc1F)CNCC2 TS85147 [0,1,0,1,0,0|1,0,0]=3 1435 B12R2.24 c1cc2c(cc1I)CNCC2 TS35828 [0,1,0,1,0,0|1,0,0]=3 1436 B12R2.24 c1cc2c(cc1N)CCCC2 TS40565 [0,1,0,1,0,0|1,0,0]=3 1437 B12R2.24 c1cc2c(cc1N)CNCC2 TS40670 [0,1,0,1,0,0|1,0,0]=3 1438 B12R2.24 c1cc2c(cc1N)NCCC2 TS01293 [0,1,0,1,0,0|2,0,0]=4 1439 B12R2.24 c1cc2c(cc1O)CCCC2 TS16959 [0,1,0,1,0,0|1,0,0]=3 1440 B12R2.24 c1cc2c(cc1O)CCCC2 TS94705 [0,1,0,1,0,0|1,0,0]=3 1441 B12R2.24 c1cc2c(cc1O)CCCN2 TS01238 [0,1,0,1,0,0|2,0,0]=4 1442 B12R2.24 c1cc2c(cc1O)CCNC2 TS46766 [0,1,0,1,0,0|1,0,0]=3 1443 B12R2.24 c1cc2c(cc1O)CCNC2 TS52947 [0,1,0,1,0,0|1,0,0]=3 1444 B12R2.24 c1ccc2c(c1)CC(=O)CO2 TS07410 [0,1,0,1,0,0|2,0,0]=4 1445 B12R2.24 c1ccc2c(c1)CC(=O)CS2 TS11911 [0,1,0,1,0,0|2,0,0]=4 1446 B12R2.24 c1ccc2c(c1)CC(=O)NC2 TS46807 [0,1,0,1,0,0|1,0,1]=4 1447 B12R2.24 c1ccc2c(c1)CC(=O)OC2 TS08988 [0,1,0,1,0,0|0,0,1]=3 1448 B12R2.24 c1ccc2c(c1)CC(CN2)N TS40678 [0,1,0,1,0,0|2,0,0]=4 1449 B12R2.24 c1ccc2c(c1)CC(CO2)N TS40753 [0,1,0,1,0,0|2,0,0]=4 1450 B12R2.24 c1ccc2c(c1)CC(CO2)N TS48810 [0,1,0,1,0,0|2,0,0]=4 1451 B12R2.24 c1ccc2c(c1)CC(CS2)N TS12090 [0,1,0,1,0,0|2,0,0]=4 1452 B12R2.24 c1ccc2c(c1)CCC(=O)C2 TS65651 [0,1,0,1,0,0|1,0,0]=3 1453 B12R2.24 c1ccc2c(c1)CCC(=O)N2 TS02541 [0,1,0,1,0,0|2,0,0]=4 1454 B12R2.24 c1ccc2c(c1)CCC(=O)O2 TS01918 [0,1,0,1,0,0|2,0,0]=4 1455 B12R2.24 c1ccc2c(c1)CCC(C2)N TS08739 [0,1,0,1,0,0|1,0,0]=3 1456 B12R2.24 c1ccc2c(c1)CCC(C2)N TS46761 [0,1,0,1,0,0|1,0,0]=3 1457 B12R2.24 c1ccc2c(c1)CCC(C2)O TS07471 [0,1,0,1,0,0|1,0,0]=3 1458 B12R2.24 c1ccc2c(c1)CC[C@@H](C2)N TS07859 [0,1,0,1,0,0|1,0,0]=3 1459 B12R2.132 Cc1ccc2c(c1)C(=O)CC2 TS55624 [0,1,0,1,0,0|2,0,0]=4 1460 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 TS55541 [0,1,0,1,0,0|2,0,0]=4 1461 B12R2.132 c1cc2c(cc1Br)[C@@H](CC2)N TS86271 [0,1,0,1,0,0|2,0,0]=4 1462 B12R2.132 c1cc2c(cc1Br)[C@H](CC2)N TS86272 [0,1,0,1,0,0|2,0,0]=4 1463 B12R2.132 c1cc2c(cc1Cl)C(=O)CC2 TS55566 [0,1,0,1,0,0|2,0,0]=4 1464 B12R2.132 c1cc2c(cc1Cl)C(CC2)N TS60095 [0,1,0,1,0,0|2,0,0]=4 1465 B12R2.132 c1cc2c(cc1F)C(=O)CC2 TS01223 [0,1,0,1,0,0|2,0,0]=4 1466 B12R2.132 c1cc2c(cc1F)C(CC2)N TS50631 [0,1,0,1,0,0|2,0,0]=4 1467 B12R2.132 c1cc2c(cc1F)[C@@H](CC2)N TS10054 [0,1,0,1,0,0|2,0,0]=4 1468 B12R2.132 c1cc2c(cc1I)C(=O)CC2 TS01244 [0,1,0,1,0,0|2,0,0]=4 1469 B12R2.132 c1cc2c(cc1N)C(=O)CC2 TS01205 [0,1,0,1,0,0|2,0,0]=4 1470 B12R2.132 c1cc2c(cc1O)C(=O)CC2 TS55597 [0,1,0,1,0,0|2,0,0]=4 1471 B12R2.132 c1cc2c(cc1O)[C@@H](CC2)N TS90694 [0,1,0,1,0,0|2,0,0]=4 1472 B12R2.132 c1cc2c(cc1O)[C@H](CC2)N TS91190 [0,1,0,1,0,0|2,0,0]=4 1473 B12R2.2 c1cc(cnc1)C2CCCN2 TS55881 [0,1,0,1,0,0|2,0,0]=4 1474 B12R2.2 c1cc(cnc1)C2CCNC2 TS02502 [0,1,0,1,0,0|2,0,0]=4 1475 B12R2.2 c1cc(cnc1)C2CCNC2 TS23241 [0,1,0,1,0,0|2,0,0]=4 1476 B12R2.2 c1ccc(cc1)C2=CCCC2 TS07010 [0,1,0,1,0,0|1,0,1]=4 1477 B12R2.2 c1ccc(cc1)C2CC=NN2 TS40445 [0,1,0,1,0,0|2,0,0]=4 1478 B12R2.2 c1ccc(cc1)C2CCCC2 TS07262 [0,1,0,1,0,0|1,0,0]=3 1479 B12R2.2 c1ccc(cc1)C2CCCN2 TS65643 [0,1,0,1,0,0|1,0,0]=3 1480 B12R2.2 c1ccc(cc1)C2CCCO2 TS86553 [0,1,0,1,0,0|1,0,0]=3 1481 B12R2.2 c1ccc(cc1)C2CCNC2 TS02878 [0,1,0,1,0,0|1,0,0]=3 1482 B12R2.2 c1ccc(cc1)C2CCNC2 TS48496 [0,1,0,1,0,0|1,0,0]=3 1483 B12R2.2 c1ccc(cc1)C2NCCS2 TS12086 [0,1,0,1,0,0|2,0,0]=4 1484 B12R2.2 c1ccc(cc1)C2OCCO2 TS09861 [0,1,0,1,0,0|2,0,0]=4 1485 B12R2.2 c1ccc(cc1)N2CCCC2 TS40567 [0,1,0,1,0,0|1,0,0]=3 1486 B12R2.2 c1ccc(cc1)[C@H]2CCNC2 TS15212 [0,1,0,1,0,0|1,0,0]=3 1487 B12R2.2 c1ccc(cc1)[S+]2CCCC2 TS60856 [0,1,0,1,0,0|1,0,0]=3 1488 B12R2.2 c1ccnc(c1)C2CCCN2 TS40681 [0,1,0,1,0,0|2,0,0]=4 1489 B12R2.2 c1ccnc(c1)C2CCNC2 TS08831 [0,1,0,1,0,0|2,0,0]=4 1490 B12R2.2 c1cnccc1C2CCCN2 TS03187 [0,1,0,1,0,0|2,0,0]=4 1491 B12R2.2 c1cnccc1C2CCNC2 TS40676 [0,1,0,1,0,0|2,0,0]=4 1492 B12R2.2 c1cnccc1N2CCCC2 TS03188 [0,1,0,1,0,0|2,0,0]=4 1493 B12R2.22 c1ccc(cc1)C2CC(=O)C2 TS89513 [0,1,0,1,0,0|1,0,0]=3 1494 B12R2.22 c1ccc(cc1)C2CC(=O)N2 TS40527 [0,1,0,1,0,0|2,0,0]=4 1495 B12R2.22 c1ccc(cc1)N2CC(C2)O TS92510 [0,1,0,1,0,0|2,0,0]=4 1496 B12R2.22 c1ccc(cc1)[C@H]2C[C@@H](C2)N TS92833 [0,1,0,1,0,0|1,0,0]=3 1497 B12R2.22 c1ccc(cc1)[C@H]2C[C@H](C2)N TS87812 [0,1,0,1,0,0|1,0,0]=3 1498 B12R2.22 c1ccc(cc1)[C@H]2C[C@H](C2)N TS92597 [0,1,0,1,0,0|1,0,0]=3 1499 B12R2.27 c1ccc(cc1)[C@@H]2[C@H](O2)CO TS09858 [0,1,0,1,0,0|2,0,0]=4 1500 B12R2.27 c1ccc(cc1)[C@H]2[C@@H](O2)CO TS40848 [0,1,0,1,0,0|2,0,0]=4 1501 B12R2.116 CC1(CNC1)c2ccccc2 TS40568 [0,1,0,1,0,0|1,0,0]=3 1502 B12R2.116 c1ccc(cc1)C2(CNC2)O TS89110 [0,1,0,1,0,0|1,0,0]=3 1503 B12R2.116 c1ccc(cc1)C2(COC2)N TS89065 [0,1,0,1,0,0|0,0,0]=2 1504 B12R2.116 c1ccc(cc1)C2(COC2)O TS86474 [0,1,0,1,0,0|0,0,0]=2 1505 B12R2.1081 CC1CCNc2c1cccc2 TS07373 [0,1,0,1,0,0|1,0,0]=3 1506 B12R2.1081 CN1CCCc2c1cccc2 TS85270 [0,1,0,1,0,0|1,0,0]=3 1507 B12R2.1081 Cc1cccc2c1CCCC2 TS40462 [0,1,0,1,0,0|1,0,0]=3 1508 B12R2.1081 Cc1cccc2c1CCCN2 TS48500 [0,1,0,1,0,0|2,0,0]=4 1509 B12R2.1081 Cc1cccc2c1CCNC2 TS15210 [0,1,0,1,0,0|1,0,0]=3 1510 B12R2.1081 Cc1cccc2c1NCCC2 TS01868 [0,1,0,1,0,0|2,0,0]=4 1511 B12R2.1081 c1c[nH]c(=O)c2c1CNCC2 TS94344 [0,1,0,1,0,0|2,0,0]=4 1512 B12R2.1081 c1cc(c2c(c1)NCCC2)N TS40664 [0,1,0,1,0,0|2,0,0]=4 1513 B12R2.1081 c1cc2c(c(c1)Br)CCCN2 TS02060 [0,1,0,1,0,0|2,0,0]=4 1514 B12R2.1081 c1cc2c(c(c1)Br)CCCO2 TS21453 [0,1,0,1,0,0|2,0,0]=4 1515 B12R2.1081 c1cc2c(c(c1)Br)CCNC2 TS32800 [0,1,0,1,0,0|1,0,0]=3 1516 B12R2.1081 c1cc2c(c(c1)Br)CCNC2 TS88532 [0,1,0,1,0,0|1,0,0]=3 1517 B12R2.1081 c1cc2c(c(c1)Br)CNCC2 TS90020 [0,1,0,1,0,0|1,0,0]=3 1518 B12R2.1081 c1cc2c(c(c1)Cl)CCC=C2 TS11961 [0,1,0,1,0,0|1,0,1]=4 1519 B12R2.1081 c1cc2c(c(c1)Cl)CCCN2 TS38538 [0,1,0,1,0,0|2,0,0]=4 1520 B12R2.1081 c1cc2c(c(c1)Cl)CCNC2 TS38535 [0,1,0,1,0,0|1,0,0]=3 1521 B12R2.1081 c1cc2c(c(c1)Cl)CNCC2 TS38539 [0,1,0,1,0,0|1,0,0]=3 1522 B12R2.1081 c1cc2c(c(c1)Cl)CNCC2 TS43287 [0,1,0,1,0,0|1,0,0]=3 1523 B12R2.1081 c1cc2c(c(c1)F)CCC=C2 TS07449 [0,1,0,1,0,0|1,0,1]=4 1524 B12R2.1081 c1cc2c(c(c1)F)CCCN2 TS50633 [0,1,0,1,0,0|2,0,0]=4 1525 B12R2.1081 c1cc2c(c(c1)I)CCNC2 TS35827 [0,1,0,1,0,0|1,0,0]=3 1526 B12R2.1081 c1cc2c(c(c1)N)CCCC2 TS16958 [0,1,0,1,0,0|1,0,0]=3 1527 B12R2.1081 c1cc2c(c(c1)N)CCNC2 TS40666 [0,1,0,1,0,0|1,0,0]=3 1528 B12R2.1081 c1cc2c(c(c1)N)NCCC2 TS40683 [0,1,0,1,0,0|2,0,0]=4 1529 B12R2.1081 c1cc2c(c(c1)O)CC=CC2 TS07217 [0,1,0,1,0,0|1,0,1]=4 1530 B12R2.1081 c1cc2c(c(c1)O)CCCC2 TS07482 [0,1,0,1,0,0|1,0,0]=3 1531 B12R2.1081 c1cc2c(c(c1)O)NCCC2 TS55705 [0,1,0,1,0,0|2,0,0]=4 1532 B12R2.1081 c1cc2c(n(=O)c1)CCCC2 TS40747 [0,1,0,1,0,0|2,0,0]=4 1533 B12R2.1081 c1cc2c(nc1)C(CCC2)Cl TS43286 [0,1,0,1,0,0|2,0,0]=4 1534 B12R2.1081 c1cc2c(nc1)C(CCC2)N TS32647 [0,1,0,1,0,0|2,0,0]=4 1535 B12R2.1081 c1cc2c(nc1)C(CCC2)O TS71333 [0,1,0,1,0,0|2,0,0]=4 1536 B12R2.1081 c1cc2c(nc1)CCCC2N TS40663 [0,1,0,1,0,0|2,0,0]=4 1537 B12R2.1081 c1cc2c(nc1)CCCC2O TS07566 [0,1,0,1,0,0|2,0,0]=4 1538 B12R2.1081 c1cc2c(nc1)[C@@H](CCC2)N TS40673 [0,1,0,1,0,0|2,0,0]=4 1539 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 TS00567 [0,1,0,1,0,0|2,0,0]=4 1540 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 TS71085 [0,1,0,1,0,0|2,0,0]=4 1541 B12R2.1081 c1ccc2c(c1)C(=O)CCS2 TS00277 [0,1,0,1,0,0|2,0,0]=4 1542 B12R2.1081 c1ccc2c(c1)C(CCN2)N TS40665 [0,1,0,1,0,0|2,0,0]=4 1543 B12R2.1081 c1ccc2c(c1)C(CCO2)N TS48812 [0,1,0,1,0,0|2,0,0]=4 1544 B12R2.1081 c1ccc2c(c1)C(CCO2)N TS55814 [0,1,0,1,0,0|2,0,0]=4 1545 B12R2.1081 c1ccc2c(c1)C(CCO2)O TS09864 [0,1,0,1,0,0|2,0,0]=4 1546 B12R2.1081 c1ccc2c(c1)C(CCS2)N TS12088 [0,1,0,1,0,0|2,0,0]=4 1547 B12R2.1081 c1ccc2c(c1)C(CCS2)O TS12277 [0,1,0,1,0,0|2,0,0]=4 1548 B12R2.1081 c1ccc2c(c1)CCCC2=O TS07218 [0,1,0,1,0,0|1,0,1]=4 1549 B12R2.1081 c1ccc2c(c1)CCCC2N TS46759 [0,1,0,1,0,0|1,0,0]=3 1550 B12R2.1081 c1ccc2c(c1)CCCC2N TS48498 [0,1,0,1,0,0|1,0,0]=3 1551 B12R2.1081 c1ccc2c(c1)CCCC2O TS40646 [0,1,0,1,0,0|1,0,0]=3 1552 B12R2.1081 c1ccc2c(c1)CCCN2N TS40674 [0,1,0,1,0,0|2,0,0]=4 1553 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N TS08922 [0,1,0,1,0,0|1,0,0]=3 1554 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N TS48497 [0,1,0,1,0,0|1,0,0]=3 1555 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2O TS40651 [0,1,0,1,0,0|1,0,0]=3 1556 B12R2.1081 c1ccc2c(c1)CCC[C@H]2N TS15209 [0,1,0,1,0,0|1,0,0]=3 1557 B12R2.1081 c1ccc2c(c1)CCC[C@H]2N TS40559 [0,1,0,1,0,0|1,0,0]=3 1558 B12R2.1081 c1ccc2c(c1)CCC[C@H]2O TS40650 [0,1,0,1,0,0|1,0,0]=3 1559 B12R2.1081 c1ccc2c(c1)CCNC2=O TS02547 [0,1,0,1,0,0|1,0,1]=4 1560 B12R2.1081 c1ccc2c(c1)CCNC2=S TS42620 [0,1,0,1,0,0|1,0,1]=4 1561 B12R2.1081 c1ccc2c(c1)CCOC2=O TS77141 [0,1,0,1,0,0|0,0,1]=3 1562 B12R2.1081 c1ccc2c(c1)CNCC2O TS40756 [0,1,0,1,0,0|1,0,0]=3 1563 B12R2.1081 c1ccc2c(c1)COC=C2O TS07416 [0,1,0,1,0,0|0,0,2]=4 1564 B12R2.1081 c1ccc2c(c1)COCC2=O TS86678 [0,1,0,1,0,0|0,0,1]=3 1565 B12R2.1081 c1ccc2c(c1)COCC2N TS65761 [0,1,0,1,0,0|0,0,0]=2 1566 B12R2.1081 c1ccc2c(c1)[C@@H](CCO2)N TS00222 [0,1,0,1,0,0|2,0,0]=4 1567 B12R2.1081 c1ccc2c(c1)[C@@H](CCO2)N TS15532 [0,1,0,1,0,0|2,0,0]=4 1568 B12R2.1081 c1ccc2c(c1)[C@H](CCO2)N TS00223 [0,1,0,1,0,0|2,0,0]=4 1569 B12R2.1081 c1ccc2c(c1)[C@H](CCO2)N TS48807 [0,1,0,1,0,0|2,0,0]=4 1570 B12R2.1081 c1cnc(c2c1CNCC2)N TS07580 [0,1,0,1,0,0|2,0,0]=4 1571 B12R2.2028 CC1CC(=O)c2c1cccc2 TS07233 [0,1,0,1,0,0|1,0,1]=4 1572 B12R2.2028 c1ccc2c(c1)C(CC2O)O TS40841 [0,1,0,1,0,0|2,0,0]=4 1573 B12R2.2075 c1ccc(cc1)C(=O)C2CC2 TS07235 [0,1,0,1,0,0|1,0,1]=4 1574 B12R2.2075 c1ccnc(c1)C(C2CC2)N TS48694 [0,1,0,1,0,0|2,0,0]=4 1575 B12R2.32 CCC1=Cc2ccccc2C1 TS07003 [0,1,0,1,0,0|1,0,1]=4 1576 B12R2.32 CNC1Cc2ccccc2C1 TS15214 [0,1,0,1,0,0|1,0,0]=3 1577 B12R2.32 c1ccc2c(c1)CC(N2)CO TS40762 [0,1,0,1,0,0|2,0,0]=4 1578 B12R2.32 c1ccc2c(c1)CC(O2)CN TS15534 [0,1,0,1,0,0|2,0,0]=4 1579 B12R2.32 c1ccc2c(c1)C[C@H](N2)CO TS40740 [0,1,0,1,0,0|2,0,0]=4 1580 B12R2.196 Cc1cccc2c1CCC2=O TS71227 [0,1,0,1,0,0|2,0,0]=4 1581 B12R2.196 c1cc2c(c(c1)Br)CCC2=O TS70950 [0,1,0,1,0,0|2,0,0]=4 1582 B12R2.196 c1cc2c(c(c1)Cl)CCC2=O TS03034 [0,1,0,1,0,0|2,0,0]=4 1583 B12R2.196 c1cc2c(c(c1)Cl)CCC2N TS38540 [0,1,0,1,0,0|2,0,0]=4 1584 B12R2.196 c1cc2c(c(c1)F)CCC2=O TS71114 [0,1,0,1,0,0|2,0,0]=4 1585 B12R2.196 c1cc2c(c(c1)F)CCC2N TS50630 [0,1,0,1,0,0|2,0,0]=4 1586 B12R2.196 c1cc2c(c(c1)F)CC[C@@H]2N TS10051 [0,1,0,1,0,0|2,0,0]=4 1587 B12R2.196 c1cc2c(c(c1)I)CCC2=O TS00568 [0,1,0,1,0,0|2,0,0]=4 1588 B12R2.196 c1cc2c(c(c1)N)CCC2=O TS07324 [0,1,0,1,0,0|2,0,0]=4 1589 B12R2.196 c1cc2c(c(c1)O)CCC2=O TS71172 [0,1,0,1,0,0|2,0,0]=4 1590 B12R2.203 Cc1cccc2c1C(=O)CC2 TS07220 [0,1,0,1,0,0|2,0,0]=4 1591 B12R2.203 c1cc2c(c(c1)Br)C(=O)CC2 TS16489 [0,1,0,1,0,0|2,0,0]=4 1592 B12R2.203 c1cc2c(c(c1)Cl)C(=O)CC2 TS12305 [0,1,0,1,0,0|2,0,0]=4 1593 B12R2.203 c1cc2c(c(c1)F)C(=O)CC2 TS16516 [0,1,0,1,0,0|2,0,0]=4 1594 B12R2.203 c1cc2c(c(c1)I)C(=O)CC2 TS00569 [0,1,0,1,0,0|2,0,0]=4 1595 B12R2.203 c1cc2c(c(c1)N)C(=O)CC2 TS40530 [0,1,0,1,0,0|2,0,0]=4 1596 B12R2.203 c1cc2c(c(c1)O)C(=O)CC2 TS85148 [0,1,0,1,0,0|2,0,0]=4 1597 B12R2.612 C[C@@H]1c2ccc(cc2CN1)Br TS93564 [0,1,0,1,0,0|2,0,0]=4 1598 B12R2.612 Cc1ccc2c(c1)CCC2=O TS55480 [0,1,0,1,0,0|2,0,0]=4 1599 B12R2.612 c1cc2c(cc1Br)CCC2=O TS71462 [0,1,0,1,0,0|2,0,0]=4 1600 B12R2.612 c1cc2c(cc1Cl)CCC2=O TS09822 [0,1,0,1,0,0|2,0,0]=4 1601 B12R2.612 c1cc2c(cc1F)CCC2=O TS71530 [0,1,0,1,0,0|2,0,0]=4 1602 B12R2.612 c1cc2c(cc1I)CCC2=O TS68075 [0,1,0,1,0,0|2,0,0]=4 1603 B12R2.612 c1cc2c(cc1N)CCC2=O TS71374 [0,1,0,1,0,0|2,0,0]=4 1604 B12R2.612 c1cc2c(cc1O)CCC2=O TS71567 [0,1,0,1,0,0|2,0,0]=4 1605 B12R2.2313 c1cc(cc(c1)Br)C2COC2 TS91734 [0,1,0,1,0,0|0,0,0]=2 1606 B12R2.1 COc1c2ccccc2[nH]n1 TS91723 [0,1,0,1,0,0|1,0,1]=4 1607 B12R2.1 COn1cnc2c1cccc2 TS40617 [0,1,0,1,0,0|1,0,1]=4 1608 B12R2.1 c1ccc2c(c1)CCC2=NO TS40528 [0,1,0,1,0,0|2,0,0]=4 1609 B12R2.1 c1ccc2c(c1)CCC2C=O TS07225 [0,1,0,1,0,0|1,0,1]=4 1610 B12R2.1 c1ccc2c(c1)CCC2CN TS40569 [0,1,0,1,0,0|1,0,0]=3 1611 B12R2.1 c1ccc2c(c1)CCN2C=O TS07336 [0,1,0,1,0,0|1,0,1]=4 1612 B12R2.2057 c1ccc(cc1)CNC2CC2 TS07374 [0,1,0,1,0,0|1,0,0]=3 1613 B12R2.2057 c1ccc(cc1)NCC2CC2 TS48499 [0,1,0,1,0,0|1,0,0]=3 1614 B12R2.2057 c1ccc(cc1)OCC2CO2 TS01628 [0,1,0,1,0,0|0,0,0]=2 1615 B12R2.2057 c1ccc(cc1)OC[C@@H]2CO2 TS40866 [0,1,0,1,0,0|0,0,0]=2 1616 B12R2.2057 c1ccc(cc1)OC[C@H]2CO2 TS40857 [0,1,0,1,0,0|0,0,0]=2 1617 B12R2.2057 c1cnccc1NCC2CC2 TS23240 [0,1,0,1,0,0|2,0,0]=4 1618 B12R2.2058 c1ccc(cc1)OC2CNC2 TS87035 [0,1,0,1,0,0|1,0,0]=3 1619 B12R2.2058 c1ccc(cc1)SC2CCC2 TS42808 [0,1,0,1,0,0|1,0,0]=3 1620 B12R2.18 CC1Cc2ccccc2C1=O TS07227 [0,1,0,1,0,0|2,0,0]=4 1621 B12R2.18 CC1Cc2ccccc2N1N TS15399 [0,1,0,1,0,0|2,0,0]=4 1622 B12R2.18 CC1Cc2ccccc2N1N TS40679 [0,1,0,1,0,0|2,0,0]=4 1623 B12R2.18 CC1c2ccccc2NC1C TS40570 [0,1,0,1,0,0|2,0,0]=4 1624 B12R2.18 CN1c2ccccc2CC1=O TS40524 [0,1,0,1,0,0|1,0,1]=4 1625 B12R2.18 c1ccc2c(c1)CC(C2=O)Br TS21064 [0,1,0,1,0,0|2,0,0]=4 1626 B12R2.18 c1ccc2c(c1)CC(C2=O)I TS68074 [0,1,0,1,0,0|2,0,0]=4 1627 B12R2.18 c1ccc2c(c1)CC(C2N)Cl TS38536 [0,1,0,1,0,0|2,0,0]=4 1628 B12R2.18 c1ccc2c(c1)CC(C2N)O TS94593 [0,1,0,1,0,0|2,0,0]=4 1629 B12R2.18 c1ccc2c(c1)CC(C2O)Br TS55072 [0,1,0,1,0,0|2,0,0]=4 1630 B12R2.18 c1ccc2c(c1)CC(C2O)N TS48806 [0,1,0,1,0,0|2,0,0]=4 1631 B12R2.18 c1ccc2c(c1)C[C@@H]([C@@H]2N)O TS07983 [0,1,0,1,0,0|2,0,0]=4 1632 B12R2.18 c1ccc2c(c1)C[C@@H]([C@@H]2O)O TS09875 [0,1,0,1,0,0|2,0,0]=4 1633 B12R2.18 c1ccc2c(c1)C[C@@H]([C@H]2N)O TS07569 [0,1,0,1,0,0|2,0,0]=4 1634 B12R2.18 c1ccc2c(c1)C[C@@H]([C@H]2O)Cl TS44951 [0,1,0,1,0,0|2,0,0]=4 1635 B12R2.18 c1ccc2c(c1)C[C@H]([C@@H]2N)O TS40741 [0,1,0,1,0,0|2,0,0]=4 1636 B12R2.18 c1ccc2c(c1)C[C@H]([C@@H]2O)Br TS21447 [0,1,0,1,0,0|2,0,0]=4 1637 B12R2.18 c1ccc2c(c1)C[C@H]([C@H]2N)O TS07985 [0,1,0,1,0,0|2,0,0]=4 1638 B12R2.92 c1ccc(cc1)C2CC2(Cl)Cl TS07992 [0,1,0,1,0,0|2,0,0]=4 1639 B12R2.92 c1ccc(cc1)C2CC2(F)F TS10399 [0,1,0,1,0,0|2,0,0]=4 1640 B12R2.2403 CC1(CNc2c1cccc2)C TS86357 [0,1,0,1,0,0|2,0,0]=4 1641 B12R2.2403 CC1(c2ccccc2CN1)C TS87925 [0,1,0,1,0,0|2,0,0]=4 1642 B12R2.3190 c1ccc2c(c1)CC2C(=O)O TS39585 [0,1,0,1,0,0|2,0,0]=4 1643 B12R3.12 c1ccc2c(c1)CC3C2O3 TS09192 [0,0,0,2,0,0|0,0,0]=2 1644 B8R1.8 CCCc1[nH]ccn1 TS02464 [1,0,0,0,1,0|2,0,0]=4 1645 B8R1.8 CCCc1ccco1 TS31836 [1,0,0,0,1,0|1,0,0]=3 1646 B8R1.8 CCCc1cccs1 TS36171 [1,0,0,0,1,0|1,0,0]=3 1647 B8R1.8 CCCc1ccsc1 TS36172 [1,0,0,0,1,0|1,0,0]=3 1648 B8R1.8 CCCn1ccnc1 TS04208 [1,0,0,0,1,0|2,0,0]=4 1649 B8R1.8 CCNc1cccs1 TS36245 [1,0,0,0,1,0|2,0,0]=4 1650 B8R1.8 CNCc1ccco1 TS04251 [1,0,0,0,1,0|2,0,0]=4 1651 B8R1.8 CNCc1ccco1 TS07391 [1,0,0,0,1,0|2,0,0]=4 1652 B8R1.8 CNCc1cccs1 TS01562 [1,0,0,0,1,0|2,0,0]=4 1653 B8R1.8 CNCc1cccs1 TS11775 [1,0,0,0,1,0|2,0,0]=4 1654 B8R1.8 COCc1[nH]ccn1 TS88224 [1,0,0,0,1,0|2,0,0]=4 1655 B8R1.8 COCc1ccco1 TS31900 [1,0,0,0,1,0|1,0,0]=3 1656 B8R1.8 CSCc1ccco1 TS05367 [1,0,0,0,1,0|1,1,0]=4 1657 B8R1.8 c1c(cn[nH]1)CCO TS59575 [1,0,0,0,1,0|2,0,0]=4 1658 B8R1.8 c1c(con1)CCO TS04371 [1,0,0,0,1,0|2,0,0]=4 1659 B8R1.8 c1c(nc[nH]1)CCO TS65017 [1,0,0,0,1,0|2,0,0]=4 1660 B8R1.8 c1cc(oc1)CCO TS31915 [1,0,0,0,1,0|1,0,0]=3 1661 B8R1.8 c1cc(sc1)CCBr TS51245 [1,0,0,0,1,0|2,0,0]=4 1662 B8R1.8 c1cc(sc1)CCN TS46632 [1,0,0,0,1,0|2,0,0]=4 1663 B8R1.8 c1cc(sc1)CCN TS65662 [1,0,0,0,1,0|2,0,0]=4 1664 B8R1.8 c1cc(sc1)CCN TS93665 [1,0,0,0,1,0|2,0,0]=4 1665 B8R1.8 c1cc(sc1)CCO TS65661 [1,0,0,0,1,0|1,0,0]=3 1666 B8R1.8 c1ccn(c1)CCBr TS08145 [1,0,0,0,1,0|2,0,0]=4 1667 B8R1.8 c1ccn(c1)CCCl TS05507 [1,0,0,0,1,0|2,0,0]=4 1668 B8R1.8 c1ccn(c1)CCN TS08216 [1,0,0,0,1,0|2,0,0]=4 1669 B8R1.8 c1ccn(c1)CCO TS31872 [1,0,0,0,1,0|1,0,0]=3 1670 B8R1.8 c1cn(cn1)CCO TS04290 [1,0,0,0,1,0|2,0,0]=4 1671 B8R1.8 c1cnc([nH]1)CCO TS04288 [1,0,0,0,1,0|2,0,0]=4 1672 B8R1.8 c1cnn(c1)CCO TS04285 [1,0,0,0,1,0|2,0,0]=4 1673 B8R1.8 c1csc[n+]1CCO TS20846 [1,0,0,0,1,0|2,0,0]=4 1674 B8R1.8 c1cscc1CCN TS36246 [1,0,0,0,1,0|2,0,0]=4 1675 B8R1.8 c1cscc1CCO TS01729 [1,0,0,0,1,0|1,0,0]=3 1676 B8R1.8 c1cscc1CCO TS37040 [1,0,0,0,1,0|1,0,0]=3