0 B10R0.71 C=C\C=C/C=C/CCCCC Amb22546765 [0,0,0,0,0,0|1,0,0]=1 1 B10R0.71 CCC#CC\C=C\C=C\CO Amb28064034 [0,0,0,0,0,0|0,0,4]=4 2 B10R0.71 CCCCCC#C\C=C\CO Amb25383013 [0,0,0,0,0,0|0,0,4]=4 3 B10R0.71 CCCCCCCCCC=O Amb3940437 [0,0,0,0,0,0|0,0,4]=4 4 B10R0.71 CCCCCCCCNC=O Amb9787543 [0,0,0,0,0,0|1,0,3]=4 5 B10R0.71 CCCCCCC\C=C\C=O Amb8517160 [0,0,0,0,0,0|0,0,2]=2 6 B10R0.71 CCCCCC\C=C\CCO Amb22641690 [0,0,0,0,0,0|0,0,4]=4 7 B10R0.71 CCCCC\C=C\C#CCO Amb27989913 [0,0,0,0,0,0|0,0,4]=4 8 B10R0.71 CCCCC\C=C\C=C\C=O Amb8392854 [0,0,0,0,0,0|0,0,0]=0 9 B10R0.71 CCCCC\C=C\CCC=O Amb33512982 [0,0,0,0,0,0|0,0,2]=2 10 B10R0.71 CCC\C=C\C#C\C=C\C=O Amb26385787 [0,0,0,0,0,0|0,0,4]=4 11 B10R0.71 C\C=C/C\C=C/CCCCC Amb22546768 [0,0,0,0,0,0|1,0,1]=2 12 B10R0.71 C\C=C\C=C\C=C\C=C\C=O Amb25384138 [0,0,0,0,0,0|0,0,4]=4 13 B10R0.71 C\C=C\C=C\CCCCCC Amb22546597 [0,0,0,0,0,0|1,0,1]=2 14 B9R0.45 C=CCCCCCCCC Amb3940503 [1,0,0,0,0,0|0,0,3]=4 15 B9R0.45 C=CCCCC\C=C\C=O Amb17593510 [1,0,0,0,0,0|0,0,3]=4 16 B9R0.45 C=CCCNCCCCC Amb27838999 [1,0,0,0,0,0|1,0,2]=4 17 B9R0.45 C=CCNCCCCCC Amb7756950 [1,0,0,0,0,0|1,0,2]=4 18 B9R0.45 C=CCOCCCCCC Amb17933923 [1,0,0,0,0,0|1,0,2]=4 19 B9R0.45 C=CCSCCCCCC Amb22733767 [1,0,0,0,0,0|1,0,2]=4 20 B9R0.45 C=CC\C=C/CCCCC Amb27423727 [1,0,0,0,0,0|0,0,1]=2 21 B9R0.45 C=CC\C=C\CCCC=C Amb4035041 [1,0,0,0,0,0|0,0,3]=4 22 B9R0.45 C=CC\C=C\CCCCC Amb27629643 [1,0,0,0,0,0|0,0,1]=2 23 B9R0.45 C=CC\C=C\CCCCO Amb28050717 [1,0,0,0,0,0|1,0,1]=3 24 B9R0.45 C=CC\C=C\CNCCS Amb27789950 [1,0,0,0,0,0|2,0,1]=4 25 B9R0.45 C=C\C=C/CCCCCC Amb22641680 [1,0,0,0,0,0|0,0,1]=2 26 B9R0.45 C=C\C=C\CCCCCO Amb27242542 [1,0,0,0,0,0|1,0,1]=3 27 B9R0.45 C=C\C=C\CCNCCC Amb28049583 [1,0,0,0,0,0|1,0,1]=3 28 B9R0.45 CCCCCC=C=CCCl Amb27211387 [1,0,0,0,0,0|1,0,2]=4 29 B9R0.45 CCCCCCCNC=O Amb27170738 [1,0,0,0,0,0|1,0,2]=4 30 B9R0.45 CCCCCCCOC=O Amb9787223 [1,0,0,0,0,0|1,0,2]=4 31 B9R0.45 CCCCCCOCC=O Amb26624223 [1,0,0,0,0,0|1,0,2]=4 32 B9R0.45 CCCCCCO\C=C/Cl Amb27984890 [1,0,0,0,0,0|2,0,1]=4 33 B9R0.45 CCCCCC\C=C/CO Amb10807383 [1,0,0,0,0,0|0,0,3]=4 34 B9R0.45 CCCCCC\C=C\C=O Amb24061310 [1,0,0,0,0,0|0,0,1]=2 35 B9R0.45 CCCCCC\C=C\CO Amb22168300 [1,0,0,0,0,0|0,0,3]=4 36 B9R0.45 CCCCCC\C=C\OC Amb30621739 [1,0,0,0,0,0|1,0,2]=4 37 B9R0.45 CCCCCOCCC=O Amb27628424 [1,0,0,0,0,0|1,0,2]=4 38 B9R0.45 CCCCC\C=C/CCBr Amb27781314 [1,0,0,0,0,0|1,0,2]=4 39 B9R0.45 CCCCC\C=C/CCO Amb9825885 [1,0,0,0,0,0|0,0,3]=4 40 B9R0.45 CCCCC\C=C\CCBr Amb27864879 [1,0,0,0,0,0|1,0,2]=4 41 B9R0.45 CCCCC\C=C\CCN Amb25123460 [1,0,0,0,0,0|1,0,2]=4 42 B9R0.45 CCCCC\C=C\CCO Amb27953070 [1,0,0,0,0,0|0,0,3]=4 43 B9R0.45 CCCCC\C=C\OCC Amb27590195 [1,0,0,0,0,0|1,0,2]=4 44 B9R0.45 CCCC\C=C\C=C\CCl Amb27204911 [1,0,0,0,0,0|1,0,1]=3 45 B9R0.45 CCCC\C=C\C=C\CO Amb27445447 [1,0,0,0,0,0|0,0,2]=3 46 B9R0.45 CCCC\C=C\CCC=O Amb27966384 [1,0,0,0,0,0|0,0,2]=3 47 B9R0.45 CCC\C=C\C=C\C=N\O Amb27843401 [1,0,0,0,0,0|1,0,2]=4 48 B9R0.45 CCC\C=C\CCCCC Amb22231673 [1,0,0,0,0,0|0,0,3]=4 49 B9R0.45 CCC\C=C\C\C=C\C=O Amb27635823 [1,0,0,0,0,0|0,0,2]=3 50 B9R0.45 CC\C=C/C=C\C=C\C=O Amb27223181 [1,0,0,0,0,0|0,0,2]=3 51 B9R0.45 CC\C=C/CC\C=C\C=O Amb2720527 [1,0,0,0,0,0|0,0,3]=4 52 B9R0.45 CC\C=C/C\C=C/CC=O Amb18643319 [1,0,0,0,0,0|0,0,3]=4 53 B9R0.45 CC\C=C\C=C/C=C/C=O Amb27244697 [1,0,0,0,0,0|0,0,2]=3 54 B9R0.45 CC\C=C\C=C\C=C\C=O Amb28458226 [1,0,0,0,0,0|0,0,2]=3 55 B9R0.45 CC\C=C\CCCCCC Amb22231672 [1,0,0,0,0,0|0,0,3]=4 56 B9R0.45 CC\C=C\CC\C=C\C=O Amb18124509 [1,0,0,0,0,0|0,0,3]=4 57 B9R0.45 CC\C=C\C\C=C\CC=O Amb28255687 [1,0,0,0,0,0|0,0,3]=4 58 B9R0.45 CO\C=C\C=C\C=C\C=O Amb27169346 [1,0,0,0,0,0|1,0,2]=4 59 B9R0.45 C\C=C/C=C\CCCCC Amb22641684 [1,0,0,0,0,0|0,0,1]=2 60 B9R0.45 C\C=C/CCCCCCC Amb26019969 [1,0,0,0,0,0|0,0,3]=4 61 B9R0.45 C\C=C\C=C/C=C/CCC Amb22641677 [1,0,0,0,0,0|1,0,1]=3 62 B9R0.45 C\C=C\C=C\C=C\CCBr Amb28053636 [1,0,0,0,0,0|2,0,1]=4 63 B9R0.45 C\C=C\C=C\C=C\CCCl Amb28195306 [1,0,0,0,0,0|2,0,1]=4 64 B9R0.45 C\C=C\C=C\CCCCBr Amb28137170 [1,0,0,0,0,0|1,0,1]=3 65 B9R0.45 C\C=C\C=C\COCOC Amb28185052 [1,0,0,0,0,0|2,0,1]=4 66 B9R0.45 C\C=C\C\C=C\CCCO Amb27977518 [1,0,0,0,0,0|2,0,1]=4 67 B9R0.45 O=C\C=C/CCCCC=O Amb27168965 [1,0,0,0,0,0|1,0,2]=4 68 B11R0.3 CCCCCCCC\C=C\C=O Amb22045177 [0,1,0,0,0,0|0,0,2]=3 69 B11R0.4 CCCCC\C=C\C(=O)OCC Amb33986022 [0,1,0,0,0,0|2,0,1]=4 70 B11R0.40 CCCCCC\C=C\C(=O)OC Amb33513079 [0,1,0,0,0,0|2,0,1]=4 71 B11R0.140 C\C=C\C=C\C(=O)OCCCC Amb33513065 [0,1,0,0,0,0|2,0,0]=3 72 B11R0.148 CCCCCCC\C=C\C(=O)O Amb6336657 [0,1,0,0,0,0|0,0,2]=3 73 B11R0.148 CCCCCC\C=C/C=C(C)C Amb22546455 [0,1,0,0,0,0|1,0,1]=3 74 B11R0.148 CCCCC\C=C\CCC(=O)O Amb24079160 [0,1,0,0,0,0|0,0,2]=3 75 B11R0.148 CCCCC\C=C\COC(C)=O Amb30988128 [0,1,0,0,0,0|1,0,1]=3 76 B11R1.4 BrCCC\C=C/c1ccco1 Amb27673526 [0,0,0,1,0,0|1,0,2]=4 77 B11R1.4 BrCCC\C=C\c1ccco1 Amb27672061 [0,0,0,1,0,0|1,0,2]=4 78 B11R1.4 CCCCC#Cc1cccs1 Amb27776530 [0,0,0,1,0,0|0,1,2]=4 79 B11R1.4 CCCCCCc1cccs1 Amb6358035 [0,0,0,1,0,0|0,1,1]=3 80 B11R1.4 CCCCCCc1ccsc1 Amb2696630 [0,0,0,1,0,0|2,0,1]=4 81 B11R1.4 CCCCNCc1ccco1 Amb1140392 [0,0,0,1,0,0|1,0,2]=4 82 B11R1.4 CCCCNCc1ccco1 Amb6867989 [0,0,0,1,0,0|1,0,2]=4 83 B11R1.4 CCCCNCc1cccs1 Amb20673561 [0,0,0,1,0,0|1,1,1]=4 84 B11R1.4 CCCCNCc1cccs1 Amb534495 [0,0,0,1,0,0|1,1,1]=4 85 B11R1.4 CCCCOCc1ccco1 Amb24054478 [0,0,0,1,0,0|1,0,2]=4 86 B11R1.4 CCCNCCc1cccs1 Amb33534035 [0,0,0,1,0,0|1,1,1]=4 87 B11R1.4 CCNC\C=C\c1ccco1 Amb27271367 [0,0,0,1,0,0|1,0,2]=4 88 B11R1.4 CCNC\C=C\c1cccs1 Amb27271366 [0,0,0,1,0,0|1,1,1]=4 89 B11R1.4 CNCC\C=C\c1ccco1 Amb27987208 [0,0,0,1,0,0|1,0,2]=4 90 B11R1.4 CNCC\C=C\c1cccs1 Amb27987212 [0,0,0,1,0,0|1,1,1]=4 91 B11R1.4 ClCCCCCc1cccs1 Amb1102003 [0,0,0,1,0,0|1,1,1]=4 92 B11R1.4 NCCC\C=C\c1cccs1 Amb18065470 [0,0,0,1,0,0|1,1,1]=4 93 B11R1.4 O=C\C=C\C=C\C1SCCS1 Amb27782454 [0,0,0,1,0,0|2,0,0]=3 94 B11R1.4 O=C\C=C\CCC1CCCC1 Amb33374529 [0,0,0,1,0,0|0,0,2]=3 95 B11R1.4 O=C\C=C\CCN1CCCC1 Amb33275172 [0,0,0,1,0,0|1,0,2]=4 96 B11R1.4 OCCC\N=C\c1ccco1 Amb27989630 [0,0,0,1,0,0|2,0,1]=4 97 B11R1.5 CCSC1=CC=CC=CC1=O Amb26624747 [0,0,0,1,0,0|1,0,2]=4 98 B11R1.17 BrCCCc1ccccc1Br Amb26341120 [0,0,0,1,0,0|2,0,1]=4 99 B11R1.17 C=CCCN1C=CC=CC1=O Amb27461258 [0,0,0,1,0,0|1,0,2]=4 100 B11R1.17 CC1CCCCC1\C=C\C=O Amb24513220 [0,0,0,1,0,0|0,0,2]=3 101 B11R1.17 CCCCN1C=CC=CC1=S Amb24415294 [0,0,0,1,0,0|1,1,0]=3 102 B11R1.17 CCCCN1C=NC=CC1=O Amb22522708 [0,0,0,1,0,0|2,0,0]=3 103 B11R1.17 CCCCc1ccccc1Br Amb15690808 [0,0,0,1,0,0|1,0,1]=3 104 B11R1.17 CCCCc1ccccc1C Amb25825024 [0,0,0,1,0,0|1,0,1]=3 105 B11R1.17 CCCCc1ccccc1F Amb24426932 [0,0,0,1,0,0|1,0,1]=3 106 B11R1.17 CCCCc1ccccc1I Amb25955656 [0,0,0,1,0,0|1,0,1]=3 107 B11R1.17 CCCCc1ccccc1N Amb4037102 [0,0,0,1,0,0|1,0,1]=3 108 B11R1.17 CCCCc1ccccc1O Amb25744605 [0,0,0,1,0,0|0,0,2]=3 109 B11R1.17 CCCCc1cccnc1Br Amb33038909 [0,0,0,1,0,0|2,0,1]=4 110 B11R1.17 CCCCc1cccnc1N Amb8386853 [0,0,0,1,0,0|2,0,1]=4 111 B11R1.17 CCCCc1ccncc1N Amb27666549 [0,0,0,1,0,0|2,0,1]=4 112 B11R1.17 CCCCc1cnccc1N Amb25785815 [0,0,0,1,0,0|2,0,1]=4 113 B11R1.17 CCCCc1cnccc1O Amb33189016 [0,0,0,1,0,0|1,0,2]=4 114 B11R1.17 CCCCc1ncccc1N Amb26848966 [0,0,0,1,0,0|2,0,1]=4 115 B11R1.17 CCCCc1ncccc1O Amb27483034 [0,0,0,1,0,0|1,0,2]=4 116 B11R1.17 CCCNc1ccccc1Br Amb6696451 [0,0,0,1,0,0|2,0,1]=4 117 B11R1.17 CCCNc1ccccc1C Amb6701222 [0,0,0,1,0,0|2,0,1]=4 118 B11R1.17 CCCNc1ccccc1Cl Amb4313502 [0,0,0,1,0,0|2,0,1]=4 119 B11R1.17 CCCNc1ccccc1F Amb6697369 [0,0,0,1,0,0|2,0,1]=4 120 B11R1.17 CCCNc1ccccc1N Amb440116 [0,0,0,1,0,0|2,0,1]=4 121 B11R1.17 CCCOC1=CC=CNC1=O Amb18034627 [0,0,0,1,0,0|2,0,1]=4 122 B11R1.17 CCCOc1ccccc1Br Amb6267012 [0,0,0,1,0,0|2,0,1]=4 123 B11R1.17 CCCOc1ccccc1F Amb21856719 [0,0,0,1,0,0|2,0,1]=4 124 B11R1.17 CCCOc1ccccc1I Amb27171983 [0,0,0,1,0,0|2,0,1]=4 125 B11R1.17 CCCOc1ccccc1N Amb1210617 [0,0,0,1,0,0|2,0,1]=4 126 B11R1.17 CCCOc1ccccc1N Amb840073 [0,0,0,1,0,0|2,0,1]=4 127 B11R1.17 CCCOc1ccccc1O Amb433886 [0,0,0,1,0,0|1,0,2]=4 128 B11R1.17 CCCOc1ccccc1S Amb28399283 [0,0,0,1,0,0|1,1,1]=4 129 B11R1.17 CCCSc1ccccc1Br Amb28046780 [0,0,0,1,0,0|2,0,1]=4 130 B11R1.17 CCCSc1ccccc1Cl Amb25957434 [0,0,0,1,0,0|2,0,1]=4 131 B11R1.17 CCCSc1ccccc1F Amb27752807 [0,0,0,1,0,0|2,0,1]=4 132 B11R1.17 CCCSc1ccccc1N Amb22588094 [0,0,0,1,0,0|2,0,1]=4 133 B11R1.17 CCCSc1ccccc1N Amb6276699 [0,0,0,1,0,0|2,0,1]=4 134 B11R1.17 CCCSc1ccccc1S Amb26323053 [0,0,0,1,0,0|1,1,1]=4 135 B11R1.17 CCNCc1ccccc1Br Amb28872271 [0,0,0,1,0,0|2,0,1]=4 136 B11R1.17 CCNCc1ccccc1Br Amb6243296 [0,0,0,1,0,0|2,0,1]=4 137 B11R1.17 CCNCc1ccccc1C Amb5785552 [0,0,0,1,0,0|2,0,1]=4 138 B11R1.17 CCNCc1ccccc1C Amb6865250 [0,0,0,1,0,0|2,0,1]=4 139 B11R1.17 CCNCc1ccccc1Cl Amb5785551 [0,0,0,1,0,0|2,0,1]=4 140 B11R1.17 CCNCc1ccccc1Cl Amb6542581 [0,0,0,1,0,0|2,0,1]=4 141 B11R1.17 CCNCc1ccccc1F Amb5785550 [0,0,0,1,0,0|2,0,1]=4 142 B11R1.17 CCNCc1ccccc1F Amb6865249 [0,0,0,1,0,0|2,0,1]=4 143 B11R1.17 CCNCc1ccccc1N Amb28973216 [0,0,0,1,0,0|2,0,1]=4 144 B11R1.17 CCNCc1ccccc1N Amb7173571 [0,0,0,1,0,0|2,0,1]=4 145 B11R1.17 CCNCc1ccccc1O Amb6257868 [0,0,0,1,0,0|1,0,2]=4 146 B11R1.17 CCOCC1=CC=CNC1=O Amb27186324 [0,0,0,1,0,0|2,0,1]=4 147 B11R1.17 CCOCN1C=CC=CC1=O Amb27461241 [0,0,0,1,0,0|2,0,0]=3 148 B11R1.17 CCOCN1C=NC=CC1=O Amb28248460 [0,0,0,1,0,0|3,0,0]=4 149 B11R1.17 CCOCc1ccccc1Br Amb22227882 [0,0,0,1,0,0|2,0,1]=4 150 B11R1.17 CCOCc1ccccc1N Amb6245712 [0,0,0,1,0,0|2,0,1]=4 151 B11R1.17 CCOCc1ccccc1O Amb10560038 [0,0,0,1,0,0|1,0,2]=4 152 B11R1.17 CCSCc1ccccc1Br Amb22228180 [0,0,0,1,0,0|2,0,1]=4 153 B11R1.17 CCSCc1ccccc1Cl Amb25676288 [0,0,0,1,0,0|2,0,1]=4 154 B11R1.17 CCSCc1ccccc1F Amb26622298 [0,0,0,1,0,0|2,0,1]=4 155 B11R1.17 CN1CCCCC1\C=C\C=O Amb33322714 [0,0,0,1,0,0|1,0,2]=4 156 B11R1.17 CNCCC1=CC=CNC1=O Amb27442144 [0,0,0,1,0,0|2,0,1]=4 157 B11R1.17 CNCCc1ccccc1Br Amb18299468 [0,0,0,1,0,0|2,0,1]=4 158 B11R1.17 CNCCc1ccccc1Br Amb33313471 [0,0,0,1,0,0|2,0,1]=4 159 B11R1.17 CNCCc1ccccc1C Amb19959980 [0,0,0,1,0,0|2,0,1]=4 160 B11R1.17 CNCCc1ccccc1C Amb8841496 [0,0,0,1,0,0|2,0,1]=4 161 B11R1.17 CNCCc1ccccc1Cl Amb8853664 [0,0,0,1,0,0|2,0,1]=4 162 B11R1.17 CNCCc1ccccc1F Amb6710685 [0,0,0,1,0,0|2,0,1]=4 163 B11R1.17 CNCCc1ccccc1O Amb18560895 [0,0,0,1,0,0|1,0,2]=4 164 B11R1.17 CNCCc1ccccc1O Amb30584750 [0,0,0,1,0,0|1,0,2]=4 165 B11R1.17 COCCN1N=CC=CC1=O Amb27649738 [0,0,0,1,0,0|3,0,0]=4 166 B11R1.17 COCC[n+]1ccccc1Cl Amb27852703 [0,0,0,1,0,0|3,0,0]=4 167 B11R1.17 COCCc1ccccc1Br Amb4021414 [0,0,0,1,0,0|2,0,1]=4 168 B11R1.17 COCCc1ccccc1N Amb18992153 [0,0,0,1,0,0|2,0,1]=4 169 B11R1.17 COCCc1ccccc1O Amb33552299 [0,0,0,1,0,0|1,0,2]=4 170 B11R1.17 CSCCc1ccccc1N Amb18299122 [0,0,0,1,0,0|2,0,1]=4 171 B11R1.17 C\C=C\C=C1/CCCCC1O Amb28079196 [0,0,0,1,0,0|2,0,1]=4 172 B11R1.17 C\C=C\CN1C=CC=CC1=O Amb27882210 [0,0,0,1,0,0|1,0,2]=4 173 B11R1.17 Cc1ccccc1CCCBr Amb17104552 [0,0,0,1,0,0|2,0,1]=4 174 B11R1.17 Cc1ccccc1CCCCl Amb17104525 [0,0,0,1,0,0|2,0,1]=4 175 B11R1.17 Cc1ccccc1CCCN Amb33743608 [0,0,0,1,0,0|2,0,1]=4 176 B11R1.17 Cc1ccccc1CCCN Amb5735477 [0,0,0,1,0,0|2,0,1]=4 177 B11R1.17 Cc1ccccc1CCCO Amb17089494 [0,0,0,1,0,0|2,0,1]=4 178 B11R1.17 Cc1ccccc1CCCS Amb17400218 [0,0,0,1,0,0|2,0,1]=4 179 B11R1.17 ClCCCc1ccccc1Br Amb26508575 [0,0,0,1,0,0|2,0,1]=4 180 B11R1.17 ClCCCc1ccccc1Cl Amb17104533 [0,0,0,1,0,0|2,0,1]=4 181 B11R1.17 Clc1ccccc1CCCBr Amb17104560 [0,0,0,1,0,0|2,0,1]=4 182 B11R1.17 Fc1ccccc1CCCBr Amb17104555 [0,0,0,1,0,0|2,0,1]=4 183 B11R1.17 Fc1ccccc1CCCCl Amb17104528 [0,0,0,1,0,0|2,0,1]=4 184 B11R1.17 Fc1ccccc1CCCS Amb17400332 [0,0,0,1,0,0|2,0,1]=4 185 B11R1.17 N#CCCN1C=CC=CC1=O Amb18542616 [0,0,0,1,0,0|2,0,1]=4 186 B11R1.17 NCCCN1C=CC=CC1=O Amb18535490 [0,0,0,1,0,0|2,0,0]=3 187 B11R1.17 NCCCN1C=CC=CC1=O Amb19514396 [0,0,0,1,0,0|2,0,0]=3 188 B11R1.17 NCCCN1C=CC=NC1=O Amb18540352 [0,0,0,1,0,0|3,0,0]=4 189 B11R1.17 NCCCN1C=CC=NC1=O Amb28896034 [0,0,0,1,0,0|3,0,0]=4 190 B11R1.17 NCCCN1C=NC=CC1=O Amb27622527 [0,0,0,1,0,0|3,0,0]=4 191 B11R1.17 NCCCN1N=CC=CC1=O Amb18998096 [0,0,0,1,0,0|3,0,0]=4 192 B11R1.17 NCCCc1ccccc1Br Amb33533965 [0,0,0,1,0,0|2,0,1]=4 193 B11R1.17 NCCCc1ccccc1Br Amb9304915 [0,0,0,1,0,0|2,0,1]=4 194 B11R1.17 NCCCc1ccccc1Cl Amb1090913 [0,0,0,1,0,0|2,0,1]=4 195 B11R1.17 NCCCc1ccccc1Cl Amb19373405 [0,0,0,1,0,0|2,0,1]=4 196 B11R1.17 NCCCc1ccccc1F Amb13949158 [0,0,0,1,0,0|2,0,1]=4 197 B11R1.17 NCCCc1ccccc1F Amb5735478 [0,0,0,1,0,0|2,0,1]=4 198 B11R1.17 NCCCc1ccccc1I Amb27814275 [0,0,0,1,0,0|2,0,1]=4 199 B11R1.17 NCCCc1ccccc1N Amb17477695 [0,0,0,1,0,0|2,0,1]=4 200 B11R1.17 NCCCc1ccccc1O Amb2695303 [0,0,0,1,0,0|1,0,2]=4 201 B11R1.17 Nc1ccccc1CCCCl Amb17477710 [0,0,0,1,0,0|2,0,1]=4 202 B11R1.17 Nc1ccccc1CCCF Amb28059275 [0,0,0,1,0,0|2,0,1]=4 203 B11R1.17 Nc1ccccc1CCCO Amb17477702 [0,0,0,1,0,0|2,0,1]=4 204 B11R1.17 O=C1C=CC=CN1CCCF Amb27882103 [0,0,0,1,0,0|2,0,0]=3 205 B11R1.17 O=C1C=CC=CN1CCCO Amb18041289 [0,0,0,1,0,0|2,0,0]=3 206 B11R1.17 O=C1C=CN=CN1CCCCl Amb27836928 [0,0,0,1,0,0|3,0,0]=4 207 B11R1.17 O=C1C=CN=CN1CCCO Amb33530551 [0,0,0,1,0,0|3,0,0]=4 208 B11R1.17 O=C1C=NC=CN1CCCCl Amb28454212 [0,0,0,1,0,0|3,0,0]=4 209 B11R1.17 O=C1C=NC=CN1CCCO Amb28129138 [0,0,0,1,0,0|3,0,0]=4 210 B11R1.17 O=C1N=CC=CN1CCCO Amb18177313 [0,0,0,1,0,0|3,0,0]=4 211 B11R1.17 O=C1N=CC=CN1CCCS Amb28454059 [0,0,0,1,0,0|3,0,0]=4 212 B11R1.17 OCCCc1ccccc1Br Amb15692692 [0,0,0,1,0,0|2,0,1]=4 213 B11R1.17 OCCCc1ccccc1Cl Amb17089499 [0,0,0,1,0,0|2,0,1]=4 214 B11R1.17 OCCCc1ccccc1F Amb17089496 [0,0,0,1,0,0|2,0,1]=4 215 B11R1.17 OCCCc1ccccc1I Amb27246348 [0,0,0,1,0,0|2,0,1]=4 216 B11R1.17 OCCCc1ccccc1O Amb17477714 [0,0,0,1,0,0|1,0,2]=4 217 B11R1.17 Oc1ccccc1CCCBr Amb27667946 [0,0,0,1,0,0|1,0,2]=4 218 B11R1.17 Oc1ccccc1CCCCl Amb17477721 [0,0,0,1,0,0|1,0,2]=4 219 B11R1.17 Oc1ccccc1CCCS Amb26040563 [0,0,0,1,0,0|1,0,2]=4 220 B11R1.17 SCCCc1ccccc1Br Amb18070447 [0,0,0,1,0,0|2,0,1]=4 221 B11R1.17 SCCCc1ccccc1Cl Amb17401095 [0,0,0,1,0,0|2,0,1]=4 222 B11R1.18 C=CCCn1cccc1C=O Amb25383070 [0,0,0,1,0,0|1,0,2]=4 223 B11R1.18 CCCCc1ccoc1C=O Amb24762937 [0,0,0,1,0,0|1,0,1]=3 224 B11R1.18 CCCCc1occc1C=O Amb28080209 [0,0,0,1,0,0|1,0,1]=3 225 B11R1.18 CCCCn1cccc1C=O Amb857700 [0,0,0,1,0,0|1,0,0]=2 226 B11R1.18 CCCCn1cccc1CN Amb21971434 [0,0,0,1,0,0|2,0,1]=4 227 B11R1.18 CCCCn1cccc1CO Amb23148084 [0,0,0,1,0,0|1,0,2]=4 228 B11R1.18 CCCCn1ccnc1C=O Amb2693760 [0,0,0,1,0,0|2,0,0]=3 229 B11R1.18 CCCCn1cnnc1C=O Amb32693023 [0,0,0,1,0,0|3,0,0]=4 230 B11R1.18 CCCCn1nccc1C=O Amb22749062 [0,0,0,1,0,0|2,0,0]=3 231 B11R1.18 CCOCn1ccnc1C=O Amb28388164 [0,0,0,1,0,0|3,0,0]=4 232 B11R1.18 CCn1cncc1\C=C\C=O Amb33473934 [0,0,0,1,0,0|2,0,1]=4 233 B11R1.18 CCn1nccc1\C=C\C=O Amb27831082 [0,0,0,1,0,0|2,0,1]=4 234 B11R1.18 COCCn1cccc1C=O Amb857701 [0,0,0,1,0,0|2,0,0]=3 235 B11R1.18 COCCn1ccnc1C=O Amb2592410 [0,0,0,1,0,0|3,0,0]=4 236 B11R1.18 COCCn1cncc1C=O Amb27271103 [0,0,0,1,0,0|3,0,0]=4 237 B11R1.18 COCCn1nccc1C=O Amb23568506 [0,0,0,1,0,0|3,0,0]=4 238 B11R1.18 CSCCn1ccnc1C=O Amb27271789 [0,0,0,1,0,0|3,0,0]=4 239 B11R1.18 C\C=C\Cn1cccc1C=O Amb28062706 [0,0,0,1,0,0|1,0,2]=4 240 B11R1.18 N#CCCn1cccc1C=O Amb2725900 [0,0,0,1,0,0|2,0,1]=4 241 B11R1.18 NCCCn1cccc1C=O Amb27986390 [0,0,0,1,0,0|2,0,0]=3 242 B11R1.18 O=Cc1cccn1CCCBr Amb27673507 [0,0,0,1,0,0|2,0,0]=3 243 B11R1.18 O=Cc1cccn1CCCO Amb17116768 [0,0,0,1,0,0|2,0,0]=3 244 B11R1.18 O=Cc1cccn1CCCS Amb27674298 [0,0,0,1,0,0|2,0,0]=3 245 B11R1.18 O=Cc1sccc1CCCO Amb27989313 [0,0,0,1,0,0|2,0,1]=4 246 B11R1.26 CCC1C=CC=CC=CC1=O Amb27474579 [0,0,0,1,0,0|0,0,2]=3 247 B11R1.28 BrCCCCc1ccccc1 Amb2685395 [0,0,0,1,0,0|2,0,0]=3 248 B11R1.28 BrCCCOc1ccccc1 Amb1154134 [0,0,0,1,0,0|3,0,0]=4 249 B11R1.28 BrCCNCc1ccccc1 Amb18131678 [0,0,0,1,0,0|3,0,0]=4 250 B11R1.28 BrCCOCc1ccccc1 Amb3941567 [0,0,0,1,0,0|3,0,0]=4 251 B11R1.28 BrCCSCc1ccccc1 Amb9305028 [0,0,0,1,0,0|3,0,0]=4 252 B11R1.28 Br[Mg]CCCc1ccccc1 Amb6300511 [0,0,0,1,0,0|3,0,0]=4 253 B11R1.28 C#CCCCc1ccccc1 Amb10071067 [0,0,0,1,0,0|1,0,2]=4 254 B11R1.28 C=CCSC=C1CCCCC1 Amb28457006 [0,0,0,1,0,0|2,0,1]=4 255 B11R1.28 C=C\C=C\CC1CCCCC1 Amb28284960 [0,0,0,1,0,0|1,0,2]=4 256 B11R1.28 CCCC#Cc1ccccc1 Amb2721608 [0,0,0,1,0,0|1,0,2]=4 257 B11R1.28 CCCCCN1C=CN=CC1 Amb22231341 [0,0,0,1,0,0|3,0,0]=4 258 B11R1.28 CCCCC[n+]1ccccc1 Amb24754723 [0,0,0,1,0,0|2,0,0]=3 259 B11R1.28 CCCCCc1ccccc1 Amb2722921 [0,0,0,1,0,0|1,0,0]=2 260 B11R1.28 CCCCCc1ccccn1 Amb533507 [0,0,0,1,0,0|1,0,0]=2 261 B11R1.28 CCCCCc1cccnc1 Amb17672949 [0,0,0,1,0,0|2,0,0]=3 262 B11R1.28 CCCCCc1ccncc1 Amb17672950 [0,0,0,1,0,0|2,0,0]=3 263 B11R1.28 CCCCCc1cnccn1 Amb9814232 [0,0,0,1,0,0|2,0,0]=3 264 B11R1.28 CCCCNc1ccccc1 Amb3940154 [0,0,0,1,0,0|2,0,0]=3 265 B11R1.28 CCCCNc1ccccn1 Amb6633041 [0,0,0,1,0,0|2,0,0]=3 266 B11R1.28 CCCCNc1cccnc1 Amb6686633 [0,0,0,1,0,0|3,0,0]=4 267 B11R1.28 CCCCNc1ccncc1 Amb6648934 [0,0,0,1,0,0|3,0,0]=4 268 B11R1.28 CCCCNc1ncccn1 Amb6631048 [0,0,0,1,0,0|3,0,0]=4 269 B11R1.28 CCCCOc1ccccc1 Amb2685665 [0,0,0,1,0,0|2,0,0]=3 270 B11R1.28 CCCCOc1ccccn1 Amb4034584 [0,0,0,1,0,0|2,0,0]=3 271 B11R1.28 CCCCOc1cccnc1 Amb25382997 [0,0,0,1,0,0|3,0,0]=4 272 B11R1.28 CCCCSc1ccccc1 Amb3836105 [0,0,0,1,0,0|2,0,0]=3 273 B11R1.28 CCCNCc1ccccc1 Amb1105937 [0,0,0,1,0,0|2,0,0]=3 274 B11R1.28 CCCNCc1ccccc1 Amb6537999 [0,0,0,1,0,0|2,0,0]=3 275 B11R1.28 CCCNCc1ccccn1 Amb19890306 [0,0,0,1,0,0|2,0,0]=3 276 B11R1.28 CCCNCc1ccccn1 Amb19890563 [0,0,0,1,0,0|2,0,0]=3 277 B11R1.28 CCCNCc1ccccn1 Amb2592504 [0,0,0,1,0,0|2,0,0]=3 278 B11R1.28 CCCNCc1cccnc1 Amb19890575 [0,0,0,1,0,0|3,0,0]=4 279 B11R1.28 CCCNCc1cccnc1 Amb6864723 [0,0,0,1,0,0|3,0,0]=4 280 B11R1.28 CCCNCc1cccnc1 Amb838293 [0,0,0,1,0,0|3,0,0]=4 281 B11R1.28 CCCNCc1cccnn1 Amb27271274 [0,0,0,1,0,0|3,0,0]=4 282 B11R1.28 CCCNCc1ccncc1 Amb19890591 [0,0,0,1,0,0|3,0,0]=4 283 B11R1.28 CCCNCc1ccncc1 Amb6864722 [0,0,0,1,0,0|3,0,0]=4 284 B11R1.28 CCCNCc1ccncc1 Amb837657 [0,0,0,1,0,0|3,0,0]=4 285 B11R1.28 CCCNCc1ccncn1 Amb18314599 [0,0,0,1,0,0|3,0,0]=4 286 B11R1.28 CCCNCc1cnccn1 Amb8853764 [0,0,0,1,0,0|3,0,0]=4 287 B11R1.28 CCCSCc1ccccc1 Amb27000631 [0,0,0,1,0,0|2,0,0]=3 288 B11R1.28 CCCSCc1ncccn1 Amb27270164 [0,0,0,1,0,0|3,0,0]=4 289 B11R1.28 CCC\C=C\c1ccccc1 Amb4017967 [0,0,0,1,0,0|1,0,2]=4 290 B11R1.28 CCC\C=N\c1ccccc1 Amb16231172 [0,0,0,1,0,0|2,0,1]=4 291 B11R1.28 CCC\N=C\c1ccccc1 Amb4605889 [0,0,0,1,0,0|2,0,1]=4 292 B11R1.28 CCNCCc1ccccc1 Amb33551205 [0,0,0,1,0,0|2,0,0]=3 293 B11R1.28 CCNCCc1ccccc1 Amb6244873 [0,0,0,1,0,0|2,0,0]=3 294 B11R1.28 CCNCCc1ccccn1 Amb33527538 [0,0,0,1,0,0|2,0,0]=3 295 B11R1.28 CCNCCc1ccncc1 Amb2592520 [0,0,0,1,0,0|3,0,0]=4 296 B11R1.28 CCNCCc1ccncn1 Amb27670958 [0,0,0,1,0,0|3,0,0]=4 297 B11R1.28 CCNCCc1ncccn1 Amb19028710 [0,0,0,1,0,0|3,0,0]=4 298 B11R1.28 CCNOCc1ccccc1 Amb25923077 [0,0,0,1,0,0|3,0,0]=4 299 B11R1.28 CCOCCc1ccccc1 Amb4035236 [0,0,0,1,0,0|2,0,0]=3 300 B11R1.28 CCOCCc1ccccn1 Amb2722907 [0,0,0,1,0,0|2,0,0]=3 301 B11R1.28 CCOCOc1ccccc1 Amb28388170 [0,0,0,1,0,0|3,0,0]=4 302 B11R1.28 CCONCc1ccccc1 Amb25151184 [0,0,0,1,0,0|3,0,0]=4 303 B11R1.28 CCONCc1ccccn1 Amb27987586 [0,0,0,1,0,0|3,0,0]=4 304 B11R1.28 CCSCCc1ccccn1 Amb27988878 [0,0,0,1,0,0|2,0,0]=3 305 B11R1.28 CCSCCc1cccnc1 Amb27988879 [0,0,0,1,0,0|3,0,0]=4 306 B11R1.28 CCSCCc1ccncc1 Amb27988880 [0,0,0,1,0,0|3,0,0]=4 307 B11R1.28 CCSCSc1ccccn1 Amb27272002 [0,0,0,1,0,0|3,0,0]=4 308 B11R1.28 CNCCCc1ccccc1 Amb21954280 [0,0,0,1,0,0|2,0,0]=3 309 B11R1.28 CNCCCc1ccccc1 Amb2721795 [0,0,0,1,0,0|2,0,0]=3 310 B11R1.28 CNCCCc1ccccn1 Amb18312462 [0,0,0,1,0,0|2,0,0]=3 311 B11R1.28 CNCCNc1ccccc1 Amb6825621 [0,0,0,1,0,0|3,0,0]=4 312 B11R1.28 CNCCNc1ccccn1 Amb18313466 [0,0,0,1,0,0|3,0,0]=4 313 B11R1.28 CNCCNc1ccccn1 Amb32757639 [0,0,0,1,0,0|3,0,0]=4 314 B11R1.28 CNCCOc1ccccc1 Amb1105525 [0,0,0,1,0,0|3,0,0]=4 315 B11R1.28 CNCCOc1ccccc1 Amb2691365 [0,0,0,1,0,0|3,0,0]=4 316 B11R1.28 CNCCSc1ccccc1 Amb10608735 [0,0,0,1,0,0|3,0,0]=4 317 B11R1.28 CNCCSc1ccccc1 Amb17622507 [0,0,0,1,0,0|3,0,0]=4 318 B11R1.28 CNCCSc1ccccn1 Amb19024669 [0,0,0,1,0,0|3,0,0]=4 319 B11R1.28 CNCCSc1ccccn1 Amb32662293 [0,0,0,1,0,0|3,0,0]=4 320 B11R1.28 COCCCc1ccncn1 Amb23453461 [0,0,0,1,0,0|3,0,0]=4 321 B11R1.28 COCCNc1ccccc1 Amb596066 [0,0,0,1,0,0|3,0,0]=4 322 B11R1.28 COCCOc1ccccc1 Amb4018811 [0,0,0,1,0,0|3,0,0]=4 323 B11R1.28 COCCSc1ccccn1 Amb17760116 [0,0,0,1,0,0|3,0,0]=4 324 B11R1.28 COCNCc1ccccc1 Amb25053350 [0,0,0,1,0,0|3,0,0]=4 325 B11R1.28 CO\C=C\C=C1CCCCC1 Amb27233866 [0,0,0,1,0,0|2,0,0]=3 326 B11R1.28 CSCCCc1ccccc1 Amb25383748 [0,0,0,1,0,0|2,0,0]=3 327 B11R1.28 CSCCNc1ccccc1 Amb17307504 [0,0,0,1,0,0|3,0,0]=4 328 B11R1.28 CSCCOc1ccccc1 Amb4020915 [0,0,0,1,0,0|3,0,0]=4 329 B11R1.28 CSCCOc1ccccn1 Amb27988044 [0,0,0,1,0,0|3,0,0]=4 330 B11R1.28 CSCCSc1ccccn1 Amb27988049 [0,0,0,1,0,0|3,0,0]=4 331 B11R1.28 CSCNCc1ccccc1 Amb26414504 [0,0,0,1,0,0|3,0,0]=4 332 B11R1.28 C\C=C\C=C/C1CCCCC1 Amb22546610 [0,0,0,1,0,0|1,0,1]=3 333 B11R1.28 C\C=C\C=N\C1CCCCC1 Amb27191584 [0,0,0,1,0,0|2,0,1]=4 334 B11R1.28 C\C=C\CCc1ccccc1 Amb17940149 [0,0,0,1,0,0|1,0,2]=4 335 B11R1.28 ClCCCCc1ccccc1 Amb3940707 [0,0,0,1,0,0|2,0,0]=3 336 B11R1.28 ClCCCCc1ccncc1 Amb20622009 [0,0,0,1,0,0|3,0,0]=4 337 B11R1.28 ClCCCCc1cnccn1 Amb27989999 [0,0,0,1,0,0|3,0,0]=4 338 B11R1.28 ClCCCOc1ccccc1 Amb1128627 [0,0,0,1,0,0|3,0,0]=4 339 B11R1.28 ClCCCSc1ccccc1 Amb1132759 [0,0,0,1,0,0|3,0,0]=4 340 B11R1.28 ClCCCSc1ccccn1 Amb9305059 [0,0,0,1,0,0|3,0,0]=4 341 B11R1.28 ClCCNCc1ccccc1 Amb2880633 [0,0,0,1,0,0|3,0,0]=4 342 B11R1.28 ClCCNCc1ccccc1 Amb4323279 [0,0,0,1,0,0|3,0,0]=4 343 B11R1.28 ClCCNCc1ccccn1 Amb17334832 [0,0,0,1,0,0|3,0,0]=4 344 B11R1.28 ClCCOCc1ccccc1 Amb8391048 [0,0,0,1,0,0|3,0,0]=4 345 B11R1.28 ClCCSCc1ccccc1 Amb9270911 [0,0,0,1,0,0|3,0,0]=4 346 B11R1.28 ClCCSCc1ccccn1 Amb27492364 [0,0,0,1,0,0|3,0,0]=4 347 B11R1.28 FCCNCc1ccccc1 Amb24611358 [0,0,0,1,0,0|3,0,0]=4 348 B11R1.28 FCCSCc1ccccc1 Amb27271863 [0,0,0,1,0,0|3,0,0]=4 349 B11R1.28 ICCCCc1ccccc1 Amb25380384 [0,0,0,1,0,0|2,0,0]=3 350 B11R1.28 ICCCOc1ccccc1 Amb27271705 [0,0,0,1,0,0|3,0,0]=4 351 B11R1.28 ICCOCc1ccccc1 Amb16191915 [0,0,0,1,0,0|3,0,0]=4 352 B11R1.28 N#CCCCc1ccccc1 Amb6251750 [0,0,0,1,0,0|2,0,1]=4 353 B11R1.28 N#CCCCc1ccccn1 Amb1102455 [0,0,0,1,0,0|2,0,1]=4 354 B11R1.28 NCCCCc1ccccc1 Amb1227740 [0,0,0,1,0,0|2,0,0]=3 355 B11R1.28 NCCCCc1ccccn1 Amb1102767 [0,0,0,1,0,0|2,0,0]=3 356 B11R1.28 NCCCCc1cccnc1 Amb5735490 [0,0,0,1,0,0|3,0,0]=4 357 B11R1.28 NCCCCc1cccnn1 Amb18201561 [0,0,0,1,0,0|3,0,0]=4 358 B11R1.28 NCCCCc1ccncc1 Amb17991253 [0,0,0,1,0,0|3,0,0]=4 359 B11R1.28 NCCCCc1ccncc1 Amb5735491 [0,0,0,1,0,0|3,0,0]=4 360 B11R1.28 NCCCCc1ccncn1 Amb18831236 [0,0,0,1,0,0|3,0,0]=4 361 B11R1.28 NCCCCc1cnccn1 Amb25385068 [0,0,0,1,0,0|3,0,0]=4 362 B11R1.28 NCCCCc1ncccn1 Amb25385067 [0,0,0,1,0,0|3,0,0]=4 363 B11R1.28 NCCCNc1ccccc1 Amb10086594 [0,0,0,1,0,0|3,0,0]=4 364 B11R1.28 NCCCNc1ccccn1 Amb6260583 [0,0,0,1,0,0|3,0,0]=4 365 B11R1.28 NCCCOc1ccccc1 Amb1108619 [0,0,0,1,0,0|3,0,0]=4 366 B11R1.28 NCCCOc1ccccc1 Amb2606353 [0,0,0,1,0,0|3,0,0]=4 367 B11R1.28 NCCCOc1ccccn1 Amb19020881 [0,0,0,1,0,0|3,0,0]=4 368 B11R1.28 NCCCSc1ccccc1 Amb1089343 [0,0,0,1,0,0|3,0,0]=4 369 B11R1.28 NCCCSc1ccccc1 Amb2099802 [0,0,0,1,0,0|3,0,0]=4 370 B11R1.28 NCCCSc1ccccn1 Amb28960301 [0,0,0,1,0,0|3,0,0]=4 371 B11R1.28 NCCCSc1ccccn1 Amb6667224 [0,0,0,1,0,0|3,0,0]=4 372 B11R1.28 NCCNCc1ccccc1 Amb2725583 [0,0,0,1,0,0|3,0,0]=4 373 B11R1.28 NCCNCc1ccccn1 Amb17091028 [0,0,0,1,0,0|3,0,0]=4 374 B11R1.28 NCCNCc1ccccn1 Amb29844480 [0,0,0,1,0,0|3,0,0]=4 375 B11R1.28 NCCOCc1ccccc1 Amb1081962 [0,0,0,1,0,0|3,0,0]=4 376 B11R1.28 NCCOCc1ccccc1 Amb2137059 [0,0,0,1,0,0|3,0,0]=4 377 B11R1.28 NCCOCc1ccccc1 Amb28524733 [0,0,0,1,0,0|3,0,0]=4 378 B11R1.28 NCCOCc1ccccn1 Amb18181726 [0,0,0,1,0,0|3,0,0]=4 379 B11R1.28 NCCPCc1ccccc1 Amb27990149 [0,0,0,1,0,0|3,0,0]=4 380 B11R1.28 NCCSCc1ccccc1 Amb432271 [0,0,0,1,0,0|3,0,0]=4 381 B11R1.28 NCCSCc1ccccc1 Amb6335199 [0,0,0,1,0,0|3,0,0]=4 382 B11R1.28 NCCSCc1ccccn1 Amb6269451 [0,0,0,1,0,0|3,0,0]=4 383 B11R1.28 NNCCCc1ccccc1 Amb19373221 [0,0,0,1,0,0|3,0,0]=4 384 B11R1.28 NNCCCc1ccccc1 Amb6252219 [0,0,0,1,0,0|3,0,0]=4 385 B11R1.28 NNCCCc1ccccn1 Amb27671029 [0,0,0,1,0,0|3,0,0]=4 386 B11R1.28 NOCCCc1ccccc1 Amb2610651 [0,0,0,1,0,0|3,0,0]=4 387 B11R1.28 NOCCCc1ccccn1 Amb17089546 [0,0,0,1,0,0|3,0,0]=4 388 B11R1.28 O=CCCC=C1CCCCC1 Amb27441049 [0,0,0,1,0,0|0,0,2]=3 389 B11R1.28 O=CCCCc1ccccc1 Amb6306225 [0,0,0,1,0,0|2,0,1]=4 390 B11R1.28 O=CCCCc1ccccn1 Amb22897023 [0,0,0,1,0,0|2,0,1]=4 391 B11R1.28 O=CN\N=C\C1CCCCC1 Amb28365670 [0,0,0,1,0,0|2,0,1]=4 392 B11R1.28 O=C\C=C\CC1CCCCC1 Amb33172261 [0,0,0,1,0,0|0,0,2]=3 393 B11R1.28 OCCCCc1ccccc1 Amb3939083 [0,0,0,1,0,0|2,0,0]=3 394 B11R1.28 OCCCCc1ccccn1 Amb21520414 [0,0,0,1,0,0|2,0,0]=3 395 B11R1.28 OCCCCc1cccnc1 Amb22732495 [0,0,0,1,0,0|3,0,0]=4 396 B11R1.28 OCCCCc1ccncc1 Amb17740015 [0,0,0,1,0,0|3,0,0]=4 397 B11R1.28 OCCCCc1cnccn1 Amb27269855 [0,0,0,1,0,0|3,0,0]=4 398 B11R1.28 OCCCCc1ncccn1 Amb27989793 [0,0,0,1,0,0|3,0,0]=4 399 B11R1.28 OCCCNc1ccccc1 Amb17307125 [0,0,0,1,0,0|3,0,0]=4 400 B11R1.28 OCCCNc1ccccn1 Amb6627879 [0,0,0,1,0,0|3,0,0]=4 401 B11R1.28 OCCCOc1ccccc1 Amb4476987 [0,0,0,1,0,0|3,0,0]=4 402 B11R1.28 OCCCOc1ccccn1 Amb25383036 [0,0,0,1,0,0|3,0,0]=4 403 B11R1.28 OCCCSc1ccccc1 Amb4018847 [0,0,0,1,0,0|3,0,0]=4 404 B11R1.28 OCCCSc1ccccn1 Amb9370833 [0,0,0,1,0,0|3,0,0]=4 405 B11R1.28 OCCC[SiH2]c1ccccc1 Amb27989504 [0,0,0,1,0,0|2,1,0]=4 406 B11R1.28 OCCNCc1ccccc1 Amb1835287 [0,0,0,1,0,0|3,0,0]=4 407 B11R1.28 OCCNCc1ccccc1 Amb6537902 [0,0,0,1,0,0|3,0,0]=4 408 B11R1.28 OCCNCc1ccccn1 Amb2592506 [0,0,0,1,0,0|3,0,0]=4 409 B11R1.28 OCCOCc1ccccc1 Amb3939139 [0,0,0,1,0,0|3,0,0]=4 410 B11R1.28 OCCSCc1ccccc1 Amb2688740 [0,0,0,1,0,0|3,0,0]=4 411 B11R1.28 OCCSCc1ccccn1 Amb9362966 [0,0,0,1,0,0|3,0,0]=4 412 B11R1.28 ONCCCc1ccccc1 Amb26650950 [0,0,0,1,0,0|3,0,0]=4 413 B11R1.28 SCCCCc1ccccc1 Amb17400224 [0,0,0,1,0,0|2,0,0]=3 414 B11R1.28 SCCCCc1ccccn1 Amb18563822 [0,0,0,1,0,0|2,0,0]=3 415 B11R1.28 SCCCCc1cccnc1 Amb18563823 [0,0,0,1,0,0|3,0,0]=4 416 B11R1.28 SCCCCc1ccncc1 Amb18065469 [0,0,0,1,0,0|3,0,0]=4 417 B11R1.28 SCCCOc1ccccc1 Amb6255479 [0,0,0,1,0,0|3,0,0]=4 418 B11R1.28 SCCNCc1ccccc1 Amb4405222 [0,0,0,1,0,0|3,0,0]=4 419 B11R1.28 SCCNCc1ccccn1 Amb27001186 [0,0,0,1,0,0|3,0,0]=4 420 B11R1.28 SCCOCc1ccccc1 Amb27457406 [0,0,0,1,0,0|3,0,0]=4 421 B11R1.28 [C-]#[N+]CCCc1ccccc1 Amb2690315 [0,0,0,1,0,0|2,0,1]=4 422 B11R1.41 CCCc1nccnc1C=O Amb27409604 [0,0,0,1,0,0|2,0,1]=4 423 B11R1.41 CCNc1ccccc1C=O Amb18125011 [0,0,0,1,0,0|1,0,2]=4 424 B11R1.41 CCOc1ccccc1C=O Amb845365 [0,0,0,1,0,0|1,0,2]=4 425 B11R1.41 CCOc1ncccc1C=O Amb4561136 [0,0,0,1,0,0|2,0,1]=4 426 B11R1.41 CCSc1ccccc1C=O Amb18126446 [0,0,0,1,0,0|1,0,2]=4 427 B11R1.41 CCSc1ncccc1C=O Amb28369162 [0,0,0,1,0,0|2,0,1]=4 428 B11R1.41 COCc1ccccc1C=O Amb18644422 [0,0,0,1,0,0|1,0,2]=4 429 B11R1.41 O=Cc1ccccc1CCBr Amb16231602 [0,0,0,1,0,0|1,0,2]=4 430 B11R1.41 O=Cc1ccccc1CCCl Amb17594227 [0,0,0,1,0,0|1,0,2]=4 431 B11R1.41 O=Cc1ccccc1CCF Amb22739039 [0,0,0,1,0,0|1,0,2]=4 432 B11R1.41 O=Cc1ccccc1CCO Amb17593729 [0,0,0,1,0,0|1,0,2]=4 433 B11R1.101 O=C1C=CCCCCCCC1 Amb28254479 [0,0,0,1,0,0|0,0,2]=3 434 B11R1.101 O=C1CC=CCCCCCC1 Amb26880464 [0,0,0,1,0,0|0,0,2]=3 435 B11R1.101 O=C1CCC=CCCCCC1 Amb4034899 [0,0,0,1,0,0|0,0,2]=3 436 B11R1.101 OC1CCC=CC=CCCC1 Amb27969981 [0,0,0,1,0,0|2,0,1]=4 437 B11R1.109 CCCn1cccc1\C=C\Br Amb33135114 [0,0,0,1,0,0|2,0,1]=4 438 B11R1.109 CCCn1nccc1\C=C\Br Amb33135501 [0,0,0,1,0,0|3,0,0]=4 439 B11R1.117 C=CCC1=CCCCCCC1 Amb27465994 [0,0,0,1,0,0|1,0,2]=4 440 B11R1.117 Cl\C=C/C1C=CCCCCC1 Amb27760441 [0,0,0,1,0,0|1,0,1]=3 441 B11R1.180 BrCCCCc1sccc1Br Amb27987857 [0,0,0,1,0,0|3,0,0]=4 442 B11R1.180 CCCCCC1=CCCC1=O Amb533108 [0,0,0,1,0,0|0,0,2]=3 443 B11R1.180 CCCCCC1=COCC1=O Amb27672330 [0,0,0,1,0,0|1,0,1]=3 444 B11R1.180 CCCCCC1C=CCC1=O Amb27672594 [0,0,0,1,0,0|0,0,2]=3 445 B11R1.180 CCCCCC1CC=CC1=O Amb17843926 [0,0,0,1,0,0|0,0,2]=3 446 B11R1.180 CCCCCN1C=CNC1=O Amb28387046 [0,0,0,1,0,0|2,0,0]=3 447 B11R1.180 CCCCCN1C=CNC1=S Amb18039837 [0,0,0,1,0,0|2,1,0]=4 448 B11R1.180 CCCCCc1ncsc1N Amb18185660 [0,0,0,1,0,0|3,0,0]=4 449 B11R1.180 CCCCCn1ccnc1Br Amb17404677 [0,0,0,1,0,0|3,0,0]=4 450 B11R1.180 CCCCCn1ccnc1I Amb27988788 [0,0,0,1,0,0|3,0,0]=4 451 B11R1.180 CCCCCn1ccnc1N Amb19013658 [0,0,0,1,0,0|3,0,0]=4 452 B11R1.180 CCCCCn1nccc1Br Amb35745335 [0,0,0,1,0,0|3,0,0]=4 453 B11R1.180 CCCCCn1nccc1N Amb19013656 [0,0,0,1,0,0|3,0,0]=4 454 B11R1.180 CCCCON1C=CNC1=O Amb28388125 [0,0,0,1,0,0|3,0,0]=4 455 B11R1.180 CCCNCc1cccn1C Amb19890260 [0,0,0,1,0,0|3,0,0]=4 456 B11R1.180 CCCNCc1cccn1C Amb7758626 [0,0,0,1,0,0|3,0,0]=4 457 B11R1.180 CCCNCc1ccoc1Br Amb27671507 [0,0,0,1,0,0|3,0,0]=4 458 B11R1.180 CCCNCc1ccoc1C Amb8853754 [0,0,0,1,0,0|3,0,0]=4 459 B11R1.180 CCCNCc1ccsc1Br Amb27673067 [0,0,0,1,0,0|3,0,0]=4 460 B11R1.180 CCCNCc1cscc1Br Amb25380434 [0,0,0,1,0,0|3,0,0]=4 461 B11R1.180 CCCNCc1cscc1C Amb27492104 [0,0,0,1,0,0|3,0,0]=4 462 B11R1.180 CCCNCc1sccc1Br Amb27269142 [0,0,0,1,0,0|3,0,0]=4 463 B11R1.180 CCCNCc1sccc1C Amb19890330 [0,0,0,1,0,0|3,0,0]=4 464 B11R1.180 CCCNCc1sccc1C Amb838001 [0,0,0,1,0,0|3,0,0]=4 465 B11R1.180 CCCNCc1sccc1Cl Amb27270981 [0,0,0,1,0,0|3,0,0]=4 466 B11R1.180 CCCNCc1sccc1F Amb27270961 [0,0,0,1,0,0|3,0,0]=4 467 B11R1.180 CCCNCc1sccc1I Amb27269432 [0,0,0,1,0,0|3,0,0]=4 468 B11R1.180 CCCNCc1sccc1N Amb27271395 [0,0,0,1,0,0|3,0,0]=4 469 B11R1.180 CCCOCc1ccsc1Br Amb27673090 [0,0,0,1,0,0|3,0,0]=4 470 B11R1.180 CCCSCc1ccsc1Br Amb27673960 [0,0,0,1,0,0|3,0,0]=4 471 B11R1.180 CCNCCN1C=CNC1=O Amb28387050 [0,0,0,1,0,0|3,0,0]=4 472 B11R1.180 CCNCCc1ccoc1C Amb27989304 [0,0,0,1,0,0|3,0,0]=4 473 B11R1.180 CCNCCc1ccsc1Br Amb27673104 [0,0,0,1,0,0|3,0,0]=4 474 B11R1.180 CCNCCc1ccsc1C Amb27271143 [0,0,0,1,0,0|3,0,0]=4 475 B11R1.180 CCNCCc1occc1Br Amb27266774 [0,0,0,1,0,0|3,0,0]=4 476 B11R1.180 CCNCCc1occc1C Amb27670325 [0,0,0,1,0,0|3,0,0]=4 477 B11R1.180 CCNCCc1sccc1Br Amb18312587 [0,0,0,1,0,0|3,0,0]=4 478 B11R1.180 CCNCCc1sccc1C Amb27670956 [0,0,0,1,0,0|3,0,0]=4 479 B11R1.180 CCNCCc1sccc1Cl Amb27271047 [0,0,0,1,0,0|3,0,0]=4 480 B11R1.180 CCOCCC1CC=CC1=O Amb27672318 [0,0,0,1,0,0|1,0,2]=4 481 B11R1.180 CCOCCN1C=CNC1=O Amb28387051 [0,0,0,1,0,0|3,0,0]=4 482 B11R1.180 CCOCCN1OC=CC1=O Amb27987505 [0,0,0,1,0,0|3,0,0]=4 483 B11R1.180 CCSCCN1OC=CC1=O Amb27987456 [0,0,0,1,0,0|3,0,0]=4 484 B11R1.180 CN1CCCC1C\C=C\C=O Amb33320706 [0,0,0,1,0,0|1,0,2]=4 485 B11R1.180 CNCCCN1C=CNC1=O Amb28387048 [0,0,0,1,0,0|3,0,0]=4 486 B11R1.180 CNCCCc1ccsc1Br Amb27673084 [0,0,0,1,0,0|3,0,0]=4 487 B11R1.180 CNCCCc1occc1Br Amb27986880 [0,0,0,1,0,0|3,0,0]=4 488 B11R1.180 CNCCCc1sccc1Cl Amb27271048 [0,0,0,1,0,0|3,0,0]=4 489 B11R1.180 COCCCN1C=CNC1=O Amb28387049 [0,0,0,1,0,0|3,0,0]=4 490 B11R1.180 COCCCc1sccc1C Amb27266496 [0,0,0,1,0,0|3,0,0]=4 491 B11R1.180 CSCCCN1C=CNC1=O Amb28387047 [0,0,0,1,0,0|3,0,0]=4 492 B11R1.180 CSCCCN1C=CSC1=O Amb27491130 [0,0,0,1,0,0|3,0,0]=4 493 B11R1.180 CSCCCN1OC=CC1=O Amb27271821 [0,0,0,1,0,0|3,0,0]=4 494 B11R1.180 Cc1ccoc1CCCCN Amb18200982 [0,0,0,1,0,0|3,0,0]=4 495 B11R1.180 Cc1ccsc1CCCCN Amb18198972 [0,0,0,1,0,0|3,0,0]=4 496 B11R1.180 Cc1cscc1CCCCN Amb33146523 [0,0,0,1,0,0|3,0,0]=4 497 B11R1.180 Cc1occc1CCCCN Amb33274352 [0,0,0,1,0,0|3,0,0]=4 498 B11R1.180 ClCCCCc1ccsc1Br Amb27673991 [0,0,0,1,0,0|3,0,0]=4 499 B11R1.180 ClCCCCc1sccc1Cl Amb27987124 [0,0,0,1,0,0|3,0,0]=4 500 B11R1.180 Clc1ccsc1CCCCBr Amb27987125 [0,0,0,1,0,0|3,0,0]=4 501 B11R1.180 Cn1cccc1CCCCN Amb33203975 [0,0,0,1,0,0|3,0,0]=4 502 B11R1.180 NCCCCN1C=CNC1=O Amb27269466 [0,0,0,1,0,0|3,0,0]=4 503 B11R1.180 NCCCCc1ccsc1Br Amb27673992 [0,0,0,1,0,0|3,0,0]=4 504 B11R1.180 NCCCCc1occc1Cl Amb18197846 [0,0,0,1,0,0|3,0,0]=4 505 B11R1.180 NCCCCc1sccc1Br Amb27986874 [0,0,0,1,0,0|3,0,0]=4 506 B11R1.180 NCCCCc1sccc1Cl Amb18189516 [0,0,0,1,0,0|3,0,0]=4 507 B11R1.180 O=C1C=CON1CCCCF Amb27988724 [0,0,0,1,0,0|3,0,0]=4 508 B11R1.180 O=C1CCC=C1CCCCBr Amb27673332 [0,0,0,1,0,0|1,0,2]=4 509 B11R1.180 O=C1CCC=C1CCCCCl Amb27989998 [0,0,0,1,0,0|1,0,2]=4 510 B11R1.180 O=C1NC=CN1CCCCO Amb27671502 [0,0,0,1,0,0|3,0,0]=4 511 B11R1.180 O=C1SC=CN1CCCCBr Amb26993058 [0,0,0,1,0,0|3,0,0]=4 512 B11R1.180 O=C1SC=CN1CCCCCl Amb26993059 [0,0,0,1,0,0|3,0,0]=4 513 B11R1.180 O=C1SC=CN1CCCCF Amb27988244 [0,0,0,1,0,0|3,0,0]=4 514 B11R1.180 OCCCCc1ccsc1Br Amb27989303 [0,0,0,1,0,0|3,0,0]=4 515 B11R1.180 OCCCCc1sccc1Br Amb27986871 [0,0,0,1,0,0|3,0,0]=4 516 B11R1.180 OCCCCc1sccc1Cl Amb27987123 [0,0,0,1,0,0|3,0,0]=4 517 B11R1.190 CCCCC\C=C1/CCC1=O Amb28080152 [0,0,0,1,0,0|0,0,2]=3 518 B11R1.203 BrCCOC1C=CC=CC=C1 Amb28143705 [0,0,0,1,0,0|3,0,0]=4 519 B11R1.203 C=CCCC1=CCCCCC1 Amb35711416 [0,0,0,1,0,0|1,0,2]=4 520 B11R1.203 O=CCCC1C=CC=CC=C1 Amb27401095 [0,0,0,1,0,0|2,0,1]=4 521 B11R1.203 O=CNN=C1CCCCCC1 Amb361364 [0,0,0,1,0,0|2,0,1]=4 522 B11R1.203 O=C\C=C\C1CCCCCC1 Amb33079648 [0,0,0,1,0,0|0,0,2]=3 523 B11R1.229 C=C\C=C/C=C/[C@@H]1C[C@@H]1C=O Amb24766800 [0,0,0,1,0,0|2,0,1]=4 524 B11R1.229 C=C\C=C\C=C\C1CC1CO Amb27673923 [0,0,0,1,0,0|2,0,0]=3 525 B11R1.248 O=CC1=CCCCCCCC1 Amb25172766 [0,0,0,1,0,0|0,0,2]=3 526 B8R0.4 C=CCCCCCCC Amb3940502 [2,0,0,0,0,0|0,0,2]=4 527 B8R0.4 C=CCNCCCCC Amb6706493 [2,0,0,0,0,0|1,0,1]=4 528 B8R0.4 C=CCSCCCCC Amb27837635 [2,0,0,0,0,0|1,0,1]=4 529 B8R0.4 C=CC\C=C\CCNC Amb27813996 [2,0,0,0,0,0|1,0,1]=4 530 B8R0.4 C=CNCCCCCC Amb27398596 [2,0,0,0,0,0|1,0,1]=4 531 B8R0.4 C=COCCCCCC Amb24440550 [2,0,0,0,0,0|1,0,1]=4 532 B8R0.4 C=C\C=C\C=C\CCC Amb22641675 [2,0,0,0,0,0|0,0,1]=3 533 B8R0.4 C=C\C=C\CCCCBr Amb32688174 [2,0,0,0,0,0|1,0,0]=3 534 B8R0.4 C=C\C=C\CCCCC Amb22641683 [2,0,0,0,0,0|0,0,0]=2 535 B8R0.4 C=C\C=C\CCCCCl Amb32688173 [2,0,0,0,0,0|1,0,0]=3 536 B8R0.4 C=C\C=C\CCNCC Amb27873157 [2,0,0,0,0,0|1,0,0]=3 537 B8R0.4 C=C\C=C\CNCCC Amb26967633 [2,0,0,0,0,0|1,0,0]=3 538 B8R0.4 CCCC#C\C=C\C=O Amb25108334 [2,0,0,0,0,0|0,0,2]=4 539 B8R0.4 CCCCCC#CC=O Amb9825881 [2,0,0,0,0,0|0,0,2]=4 540 B8R0.4 CCCCCCCC=O Amb6891949 [2,0,0,0,0,0|0,0,2]=4 541 B8R0.4 CCCCCC\C=C\Br Amb24677708 [2,0,0,0,0,0|1,0,1]=4 542 B8R0.4 CCCCCC\C=C\I Amb24446897 [2,0,0,0,0,0|1,0,1]=4 543 B8R0.4 CCCCCOCC=O Amb27230502 [2,0,0,0,0,0|1,0,1]=4 544 B8R0.4 CCCCC\C=C\C#N Amb18642132 [2,0,0,0,0,0|1,0,1]=4 545 B8R0.4 CCCCC\C=C\CBr Amb17666913 [2,0,0,0,0,0|1,0,1]=4 546 B8R0.4 CCCCC\C=C\CO Amb33038088 [2,0,0,0,0,0|0,0,2]=4 547 B8R0.4 CCC\C=C/C=C/C=O Amb27643510 [2,0,0,0,0,0|0,0,0]=2 548 B8R0.4 CCC\C=C\C#CC=O Amb26026989 [2,0,0,0,0,0|0,0,2]=4 549 B8R0.4 CCC\C=C\C=C/CN Amb27768643 [2,0,0,0,0,0|1,0,1]=4 550 B8R0.4 CCC\C=C\C=C\C=O Amb8392848 [2,0,0,0,0,0|0,0,0]=2 551 B8R0.4 CCC\C=C\C=C\CBr Amb28285136 [2,0,0,0,0,0|1,0,1]=4 552 B8R0.4 CCC\C=C\C=C\CCl Amb27630001 [2,0,0,0,0,0|1,0,1]=4 553 B8R0.4 CCC\C=C\C=C\CN Amb27252152 [2,0,0,0,0,0|1,0,1]=4 554 B8R0.4 CCC\C=C\C=C\CO Amb22053869 [2,0,0,0,0,0|0,0,2]=4 555 B8R0.4 CCC\C=C\CCC=O Amb33172232 [2,0,0,0,0,0|0,0,2]=4 556 B8R0.4 CCC\C=C\COC=O Amb22231662 [2,0,0,0,0,0|1,0,1]=4 557 B8R0.4 CCOCO\C=C\C=O Amb26393569 [2,0,0,0,0,0|2,0,0]=4 558 B8R0.4 CC\C=C/CCCCC Amb25258581 [2,0,0,0,0,0|0,0,2]=4 559 B8R0.4 CC\C=C/C\C=C\C=O Amb28251042 [2,0,0,0,0,0|0,0,2]=4 560 B8R0.4 CC\C=C\CCCCC Amb22347893 [2,0,0,0,0,0|0,0,2]=4 561 B8R0.4 C\C=C/C=C/CCCBr Amb27878672 [2,0,0,0,0,0|1,0,1]=4 562 B8R0.4 C\C=C/CCCCCC Amb27478896 [2,0,0,0,0,0|0,0,2]=4 563 B8R0.4 C\C=C\C=C\C=C\C=O Amb17593248 [2,0,0,0,0,0|0,0,2]=4 564 B8R0.4 C\C=C\C=C\CCCC Amb24477896 [2,0,0,0,0,0|0,0,1]=3 565 B8R0.4 C\C=C\C=C\CCCO Amb17593323 [2,0,0,0,0,0|1,0,1]=4 566 B8R0.4 C\C=C\CCCCCC Amb19930200 [2,0,0,0,0,0|0,0,2]=4 567 B8R0.4 C\C=C\CC\C=C\C=O Amb18642215 [2,0,0,0,0,0|0,0,2]=4 568 B8R0.4 O=C\C=C/CCCC=O Amb28202061 [2,0,0,0,0,0|1,0,1]=4 569 B8R0.4 O=C\C=C\C=C/CC=O Amb28285297 [2,0,0,0,0,0|1,0,1]=4 570 B8R0.4 O=C\C=C\C=C\CC=O Amb27841285 [2,0,0,0,0,0|1,0,1]=4 571 B10R0.1 CCCCC#C\C(C)=C/C=O Amb27176508 [1,1,0,0,0,0|0,0,2]=4 572 B10R0.1 CCCCC#C\C(C)=C\C=O Amb28197977 [1,1,0,0,0,0|0,0,2]=4 573 B10R0.4 C=C(C)\C=C\CCCCCC Amb22546604 [1,1,0,0,0,0|0,0,1]=3 574 B10R0.4 CCCCCC\C=C\C(=O)O Amb3940553 [1,1,0,0,0,0|0,0,1]=3 575 B10R0.4 CCCCCC\C=C\C(C)=O Amb22052629 [1,1,0,0,0,0|0,0,1]=3 576 B10R0.4 CCCCC\C=C\C=C(C)C Amb22546758 [1,1,0,0,0,0|0,0,1]=3 577 B10R0.4 CCCCC\C=C\NC(C)=O Amb28080162 [1,1,0,0,0,0|1,0,0]=3 578 B10R0.4 CCCC\C=C\C#CC(=O)O Amb27433905 [1,1,0,0,0,0|0,0,2]=4 579 B10R0.4 CCC\C=C\C=C/C=C(C)C Amb22546608 [1,1,0,0,0,0|1,0,1]=4 580 B10R0.74 C=CC(=O)N\C=C\CCCC Amb27673243 [1,1,0,0,0,0|1,0,1]=4 581 B10R0.74 C=CC(C)\C=C/CCCCC Amb22546637 [1,1,0,0,0,0|0,0,1]=3 582 B10R0.74 CCCCCCOC(=O)C=O Amb17614962 [1,1,0,0,0,0|1,0,1]=4 583 B10R0.74 CCCCC\C=C\C(=O)OC Amb24066773 [1,1,0,0,0,0|1,0,1]=4 584 B10R0.91 C=CCOC(=O)CCCCC Amb8384545 [1,1,0,0,0,0|1,0,1]=4 585 B10R0.91 CCCCCC(=O)C#CC=O Amb28080210 [1,1,0,0,0,0|0,0,2]=4 586 B10R0.91 C\C=C\C=C\C(=O)NCCC Amb27270238 [1,1,0,0,0,0|2,0,0]=4 587 B12R0.5 CCCCCCC\C=C\C=C\C=O Amb22045171 [0,2,0,0,0,0|0,0,0]=2 588 B12R0.5 CCCCCCC\C=C\C=C\CO Amb33986605 [0,2,0,0,0,0|0,0,2]=4 589 B12R0.5 CCCCC\C=C/CC\C=C\C=O Amb22348277 [0,2,0,0,0,0|0,0,0]=2 590 B12R0.234 CCCCCCCC\C=C\C(=O)O Amb33987634 [0,2,0,0,0,0|0,0,2]=4 591 B12R0.234 O=C(O)\C=C\CCCCCCCO Amb33757093 [0,2,0,0,0,0|0,0,2]=4 592 B12R0.248 CCCCC\C=C/CCC(=O)OC Amb24093816 [0,2,0,0,0,0|0,0,2]=4 593 B12R0.255 COCCCNC(=O)\C=C\C(=O)O Amb9251697 [0,2,0,0,0,0|2,0,0]=4 594 B10R1.4 C=CCC1=CCCC[C@@H]1O Amb27396964 [1,0,0,1,0,0|1,0,1]=4 595 B10R1.4 C=CCC1=CCCC[C@H]1O Amb27213846 [1,0,0,1,0,0|1,0,1]=4 596 B10R1.4 CC1CCCC=C1N=C=O Amb27441045 [1,0,0,1,0,0|1,0,1]=4 597 B10R1.4 CC1CCCC\C1=C/C=O Amb25951883 [1,0,0,1,0,0|0,0,1]=3 598 B10R1.4 CCCC1CCC=CC1=O Amb27750345 [1,0,0,1,0,0|0,0,1]=3 599 B10R1.4 CCCN1C=CC=CC1=O Amb22730334 [1,0,0,1,0,0|1,0,0]=3 600 B10R1.4 CCCN1C=CC=CC1=S Amb24480486 [1,0,0,1,0,0|1,1,0]=4 601 B10R1.4 CCCN1C=CN=CC1=O Amb28047193 [1,0,0,1,0,0|2,0,0]=4 602 B10R1.4 CCCc1ccccc1Br Amb26623759 [1,0,0,1,0,0|1,0,1]=4 603 B10R1.4 CCCc1ccccc1C Amb22227985 [1,0,0,1,0,0|1,0,1]=4 604 B10R1.4 CCCc1ccccc1Cl Amb28049677 [1,0,0,1,0,0|1,0,1]=4 605 B10R1.4 CCCc1ccccc1I Amb20622716 [1,0,0,1,0,0|1,0,1]=4 606 B10R1.4 CCCc1ccccc1N Amb2724372 [1,0,0,1,0,0|1,0,1]=4 607 B10R1.4 CCCc1ccccc1O Amb2726171 [1,0,0,1,0,0|0,0,2]=4 608 B10R1.4 CCCc1ccccc1S Amb32688038 [1,0,0,1,0,0|0,1,1]=4 609 B10R1.4 CN1CCCC\C1=C\C=O Amb18643454 [1,0,0,1,0,0|1,0,1]=4 610 B10R1.4 C[C@@H]1CCC=C[C@H]1CC=O Amb28247973 [1,0,0,1,0,0|0,0,2]=4 611 B10R1.4 NCCN1C=CC=CC1=O Amb18535437 [1,0,0,1,0,0|2,0,0]=4 612 B10R1.4 NCCN1C=CC=CC1=O Amb19514535 [1,0,0,1,0,0|2,0,0]=4 613 B10R1.4 NCCN1C=CC=CC1=O Amb20668789 [1,0,0,1,0,0|2,0,0]=4 614 B10R1.4 O=C1C=CC=CN1CCBr Amb19514604 [1,0,0,1,0,0|2,0,0]=4 615 B10R1.4 O=C1C=CC=CN1CCBr Amb33299911 [1,0,0,1,0,0|2,0,0]=4 616 B10R1.4 O=C1C=CC=CN1CCCl Amb18787739 [1,0,0,1,0,0|2,0,0]=4 617 B10R1.4 O=C1C=CC=CN1CCF Amb27426877 [1,0,0,1,0,0|2,0,0]=4 618 B10R1.4 O=C1C=CC=CN1CCI Amb28254877 [1,0,0,1,0,0|2,0,0]=4 619 B10R1.4 O=C1C=CC=CN1CCO Amb18041231 [1,0,0,1,0,0|2,0,0]=4 620 B10R1.4 O=c1ccccn1CCCl Amb22274576 [1,0,0,1,0,0|2,0,0]=4 621 B10R1.5 CCC[C@@H]1SCC=C1C=O Amb28382595 [1,0,0,1,0,0|1,0,1]=4 622 B10R1.5 CCCc1ccsc1C=O Amb24479216 [1,0,0,1,0,0|1,0,1]=4 623 B10R1.5 CCCc1occc1C=O Amb28239481 [1,0,0,1,0,0|1,0,1]=4 624 B10R1.5 CCCc1sccc1C=O Amb26979790 [1,0,0,1,0,0|1,0,1]=4 625 B10R1.5 CCCn1cccc1C=O Amb33527325 [1,0,0,1,0,0|1,0,0]=3 626 B10R1.5 CCCn1ccnc1C=O Amb2693761 [1,0,0,1,0,0|2,0,0]=4 627 B10R1.5 CCCn1cncc1C=O Amb27838878 [1,0,0,1,0,0|2,0,0]=4 628 B10R1.5 CCCn1nccc1C=O Amb6888783 [1,0,0,1,0,0|2,0,0]=4 629 B10R1.5 CCN1CCC\C1=C/C=O Amb27435814 [1,0,0,1,0,0|1,0,1]=4 630 B10R1.5 COCn1cccc1C=O Amb18643381 [1,0,0,1,0,0|2,0,0]=4 631 B10R1.5 CSCn1cccc1C=O Amb27228816 [1,0,0,1,0,0|2,0,0]=4 632 B10R1.5 O=Cc1cccn1CCBr Amb27605861 [1,0,0,1,0,0|2,0,0]=4 633 B10R1.5 O=Cc1cccn1CCCl Amb18644971 [1,0,0,1,0,0|2,0,0]=4 634 B10R1.5 O=Cc1cccn1CCI Amb28399798 [1,0,0,1,0,0|2,0,0]=4 635 B10R1.5 O=Cc1cccn1CCO Amb17116748 [1,0,0,1,0,0|2,0,0]=4 636 B10R1.7 CN1CCCNC=CC1=O Amb28050134 [1,0,0,1,0,0|2,0,0]=4 637 B10R1.7 O=C1C=CCCCCC1Cl Amb27471827 [1,0,0,1,0,0|1,0,1]=4 638 B10R1.17 BrCCCc1ccccc1 Amb2721516 [1,0,0,1,0,0|1,0,1]=4 639 B10R1.17 BrCCCc1ccccn1 Amb27866171 [1,0,0,1,0,0|2,0,0]=4 640 B10R1.17 C=CCC=C1CCNCC1 Amb28324799 [1,0,0,1,0,0|1,0,1]=4 641 B10R1.17 CCCC[n+]1ccccc1 Amb8393211 [1,0,0,1,0,0|1,0,0]=3 642 B10R1.17 CCCC[n+]1ccccc1 Amb8516223 [1,0,0,1,0,0|1,0,0]=3 643 B10R1.17 CCCC[n+]1ccccc1 Amb8516227 [1,0,0,1,0,0|1,0,0]=3 644 B10R1.17 CCCC[n+]1ccccc1 Amb8516263 [1,0,0,1,0,0|1,0,0]=3 645 B10R1.17 CCCCc1ccccc1 Amb6608912 [1,0,0,1,0,0|0,0,1]=3 646 B10R1.17 CCCCc1ccccn1 Amb8395993 [1,0,0,1,0,0|1,0,0]=3 647 B10R1.17 CCCCc1cccnc1 Amb4037068 [1,0,0,1,0,0|1,0,1]=4 648 B10R1.17 CCCCc1cccnn1 Amb22235740 [1,0,0,1,0,0|2,0,0]=4 649 B10R1.17 CCCCc1ccncc1 Amb10555008 [1,0,0,1,0,0|1,0,1]=4 650 B10R1.17 CCCNc1ccccc1 Amb534130 [1,0,0,1,0,0|1,0,1]=4 651 B10R1.17 CCCOc1ccccc1 Amb2842271 [1,0,0,1,0,0|1,0,1]=4 652 B10R1.17 CCCSc1ccccc1 Amb4014460 [1,0,0,1,0,0|1,0,1]=4 653 B10R1.17 CCCSc1ccccn1 Amb24733306 [1,0,0,1,0,0|2,0,0]=4 654 B10R1.17 CCNCc1ccccc1 Amb3699539 [1,0,0,1,0,0|1,0,1]=4 655 B10R1.17 CCNCc1ccccn1 Amb2592098 [1,0,0,1,0,0|2,0,0]=4 656 B10R1.17 CCOCc1ccccc1 Amb9787555 [1,0,0,1,0,0|1,0,1]=4 657 B10R1.17 CCOCc1ccccn1 Amb27267027 [1,0,0,1,0,0|2,0,0]=4 658 B10R1.17 CCSCc1ccccc1 Amb9787636 [1,0,0,1,0,0|1,0,1]=4 659 B10R1.17 CCSCc1ccccn1 Amb28124640 [1,0,0,1,0,0|2,0,0]=4 660 B10R1.17 CNCCc1ccccc1 Amb1132990 [1,0,0,1,0,0|1,0,1]=4 661 B10R1.17 CNCCc1ccccc1 Amb33545919 [1,0,0,1,0,0|1,0,1]=4 662 B10R1.17 CNCCc1ccccn1 Amb1651624 [1,0,0,1,0,0|2,0,0]=4 663 B10R1.17 CNCCc1ccccn1 Amb22167479 [1,0,0,1,0,0|2,0,0]=4 664 B10R1.17 CNCCc1ccccn1 Amb6741463 [1,0,0,1,0,0|2,0,0]=4 665 B10R1.17 COCC[n+]1ccccc1 Amb28125435 [1,0,0,1,0,0|2,0,0]=4 666 B10R1.17 COCCc1ccccc1 Amb4020014 [1,0,0,1,0,0|1,0,1]=4 667 B10R1.17 COCCc1ccccn1 Amb4034583 [1,0,0,1,0,0|2,0,0]=4 668 B10R1.17 CSCCc1ccccc1 Amb26586093 [1,0,0,1,0,0|1,0,1]=4 669 B10R1.17 CSCCc1ccccn1 Amb24552366 [1,0,0,1,0,0|2,0,0]=4 670 B10R1.17 C\C=C\C=C1CCCCC1 Amb27233863 [1,0,0,1,0,0|0,0,1]=3 671 B10R1.17 ClCCCc1ccccc1 Amb3941487 [1,0,0,1,0,0|1,0,1]=4 672 B10R1.17 ClCCCc1ccccn1 Amb32751196 [1,0,0,1,0,0|2,0,0]=4 673 B10R1.17 Cl\C=C\C=C1CCCCC1 Amb27878642 [1,0,0,1,0,0|1,0,0]=3 674 B10R1.17 ICCCc1ccccc1 Amb10605506 [1,0,0,1,0,0|1,0,1]=4 675 B10R1.17 NCCCc1ccccc1 Amb844788 [1,0,0,1,0,0|1,0,1]=4 676 B10R1.17 NCCCc1ccccn1 Amb1088884 [1,0,0,1,0,0|2,0,0]=4 677 B10R1.17 NCCCc1ccccn1 Amb21954278 [1,0,0,1,0,0|2,0,0]=4 678 B10R1.17 O=CC=C=C1CCCCC1 Amb17593457 [1,0,0,1,0,0|0,0,1]=3 679 B10R1.17 O=CNCC1=CCCCC1 Amb27426268 [1,0,0,1,0,0|1,0,1]=4 680 B10R1.17 O=CNN=C1CCCCC1 Amb28400258 [1,0,0,1,0,0|2,0,0]=4 681 B10R1.17 O=C\C=C/N1CCOCC1 Amb28201317 [1,0,0,1,0,0|2,0,0]=4 682 B10R1.17 O=C\C=C\C1=CCCCC1 Amb18643092 [1,0,0,1,0,0|0,0,0]=2 683 B10R1.17 O=C\C=C\C1=COCCC1 Amb33414875 [1,0,0,1,0,0|1,0,0]=3 684 B10R1.17 O=C\C=C\C1CCCCC1 Amb18643296 [1,0,0,1,0,0|0,0,1]=3 685 B10R1.17 O=C\C=C\C1CCCCO1 Amb33473942 [1,0,0,1,0,0|1,0,1]=4 686 B10R1.17 O=C\C=C\C1CCCOC1 Amb33474517 [1,0,0,1,0,0|1,0,1]=4 687 B10R1.17 O=C\C=C\C1CCCSC1 Amb33172303 [1,0,0,1,0,0|1,0,1]=4 688 B10R1.17 O=C\C=C\C1CCSCC1 Amb24587287 [1,0,0,1,0,0|1,0,1]=4 689 B10R1.17 O=C\C=C\N1CCCCC1 Amb25941560 [1,0,0,1,0,0|1,0,0]=3 690 B10R1.17 OCCCc1ccccc1 Amb3939054 [1,0,0,1,0,0|1,0,1]=4 691 B10R1.17 OCCCc1ccccn1 Amb22749323 [1,0,0,1,0,0|2,0,0]=4 692 B10R1.17 OCCCc1ccccn1 Amb3939333 [1,0,0,1,0,0|2,0,0]=4 693 B10R1.17 SCCCc1ccccc1 Amb6255807 [1,0,0,1,0,0|1,0,1]=4 694 B10R1.17 SCCCc1ccccn1 Amb17399950 [1,0,0,1,0,0|2,0,0]=4 695 B10R1.17 [SiH3]CCCc1ccccc1 Amb22347053 [1,0,0,1,0,0|0,1,1]=4 696 B10R1.19 C=C1C=CC=CCC1CBr Amb27614357 [1,0,0,1,0,0|1,0,1]=4 697 B10R1.19 CC1CCCCC=C1C=O Amb28240981 [1,0,0,1,0,0|0,0,1]=3 698 B10R1.20 CCc1ccccc1C=O Amb3941572 [1,0,0,1,0,0|0,0,2]=4 699 B10R1.20 COC1CCCC=C1C=O Amb24480532 [1,0,0,1,0,0|1,0,1]=4 700 B10R1.21 BrCCCCc1cccs1 Amb25085582 [1,0,0,1,0,0|1,1,0]=4 701 B10R1.21 BrCCCCc1ccsc1 Amb26637227 [1,0,0,1,0,0|2,0,0]=4 702 B10R1.21 BrCCCCn1cccc1 Amb28312928 [1,0,0,1,0,0|2,0,0]=4 703 B10R1.21 C=CC\C=C\C1CCCC1 Amb27815691 [1,0,0,1,0,0|0,0,1]=3 704 B10R1.21 CCCCCc1ccco1 Amb8393189 [1,0,0,1,0,0|0,0,1]=3 705 B10R1.21 CCCCCc1cccs1 Amb2779226 [1,0,0,1,0,0|0,1,0]=3 706 B10R1.21 CCCCCc1ccsc1 Amb20621787 [1,0,0,1,0,0|1,0,0]=3 707 B10R1.21 CCCCCc1nccs1 Amb25297177 [1,0,0,1,0,0|1,1,0]=4 708 B10R1.21 CCCCCn1ccnc1 Amb20247958 [1,0,0,1,0,0|2,0,0]=4 709 B10R1.21 CCCCNc1cccs1 Amb28252106 [1,0,0,1,0,0|1,1,0]=4 710 B10R1.21 CCCCNn1cccc1 Amb28344466 [1,0,0,1,0,0|2,0,0]=4 711 B10R1.21 CCCNCc1ccco1 Amb1127967 [1,0,0,1,0,0|1,0,1]=4 712 B10R1.21 CCCNCc1ccco1 Amb19890265 [1,0,0,1,0,0|1,0,1]=4 713 B10R1.21 CCCNCc1cccs1 Amb19890386 [1,0,0,1,0,0|1,1,0]=4 714 B10R1.21 CCCNCc1cccs1 Amb837811 [1,0,0,1,0,0|1,1,0]=4 715 B10R1.21 CCCNCc1ccsc1 Amb5262474 [1,0,0,1,0,0|2,0,0]=4 716 B10R1.21 CCCNCc1ccsc1 Amb6868338 [1,0,0,1,0,0|2,0,0]=4 717 B10R1.21 CCCSCc1ccco1 Amb24430614 [1,0,0,1,0,0|1,0,1]=4 718 B10R1.21 CCNCCc1cccs1 Amb6697855 [1,0,0,1,0,0|1,1,0]=4 719 B10R1.21 CCSCCn1cccc1 Amb28457745 [1,0,0,1,0,0|2,0,0]=4 720 B10R1.21 CNCCCc1ccco1 Amb534654 [1,0,0,1,0,0|1,0,1]=4 721 B10R1.21 CNCCCc1cccs1 Amb17104498 [1,0,0,1,0,0|1,1,0]=4 722 B10R1.21 CNCCCc1ccoc1 Amb27446253 [1,0,0,1,0,0|2,0,0]=4 723 B10R1.21 CNCCCc1ccsc1 Amb19025786 [1,0,0,1,0,0|2,0,0]=4 724 B10R1.21 CSCCCn1cccc1 Amb27877824 [1,0,0,1,0,0|2,0,0]=4 725 B10R1.21 C\C=C\C=C\C1CCNC1 Amb27223015 [1,0,0,1,0,0|1,0,1]=4 726 B10R1.21 ClCCCCc1ccco1 Amb17138477 [1,0,0,1,0,0|1,0,1]=4 727 B10R1.21 ClCCCCc1cccs1 Amb8860566 [1,0,0,1,0,0|1,1,0]=4 728 B10R1.21 ClCCCCc1ccsc1 Amb26616509 [1,0,0,1,0,0|2,0,0]=4 729 B10R1.21 NCCCCc1ccco1 Amb5735488 [1,0,0,1,0,0|1,0,1]=4 730 B10R1.21 NCCCCc1cccs1 Amb5735489 [1,0,0,1,0,0|1,1,0]=4 731 B10R1.21 NCCCCc1ccoc1 Amb33360360 [1,0,0,1,0,0|2,0,0]=4 732 B10R1.21 NCCCCc1ccsc1 Amb25765310 [1,0,0,1,0,0|2,0,0]=4 733 B10R1.21 NCCCCn1cccc1 Amb5744332 [1,0,0,1,0,0|2,0,0]=4 734 B10R1.21 O=C\C=C\CC1CCCC1 Amb33358587 [1,0,0,1,0,0|0,0,1]=3 735 B10R1.21 OCCCCc1ccco1 Amb17106038 [1,0,0,1,0,0|1,0,1]=4 736 B10R1.21 OCCCCc1cccs1 Amb9004304 [1,0,0,1,0,0|1,1,0]=4 737 B10R1.21 OCCCCc1ccsc1 Amb27475708 [1,0,0,1,0,0|2,0,0]=4 738 B10R1.21 SCCCCc1ccco1 Amb18563472 [1,0,0,1,0,0|1,0,1]=4 739 B10R1.21 SCCCCc1cccs1 Amb17400373 [1,0,0,1,0,0|1,1,0]=4 740 B10R1.21 SCCCCc1ccsc1 Amb33320211 [1,0,0,1,0,0|2,0,0]=4 741 B10R1.29 CC1OCCC1\C=C\C=O Amb33427141 [1,0,0,1,0,0|1,0,1]=4 742 B10R1.29 CCCCN1C=CSC1=O Amb28347394 [1,0,0,1,0,0|2,0,0]=4 743 B10R1.29 CCCCc1cccn1N Amb27838833 [1,0,0,1,0,0|2,0,0]=4 744 B10R1.29 CCCCc1ccsc1Br Amb19958946 [1,0,0,1,0,0|2,0,0]=4 745 B10R1.78 O=C1C=C=CCCCCC1 Amb28253726 [1,0,0,1,0,0|0,0,1]=3 746 B10R1.78 O=C1C=CC=CCCCC1 Amb22342438 [1,0,0,1,0,0|0,0,0]=2 747 B10R1.78 O=C1C=CCCCCCC1 Amb22363956 [1,0,0,1,0,0|0,0,1]=3 748 B10R1.78 OC1C=CC=CCCCC1 Amb28050699 [1,0,0,1,0,0|0,0,2]=4 749 B10R1.78 OC1CC=CC=CCCC1 Amb28050659 [1,0,0,1,0,0|1,0,1]=4 750 B10R1.85 C=CCC1=CCCCCC1 Amb27405139 [1,0,0,1,0,0|0,0,1]=3 751 B10R1.85 C=C\C=C1\CCCNCC1 Amb28250329 [1,0,0,1,0,0|1,0,1]=4 752 B10R1.85 NCCC1C=CC=CC=C1 Amb27593509 [1,0,0,1,0,0|1,0,1]=4 753 B10R1.161 O=CC1=CCCCCCC1 Amb17621598 [1,0,0,1,0,0|0,0,1]=3 754 B10R1.161 OCC1C=CCC=CCC1 Amb27801551 [1,0,0,1,0,0|1,0,1]=4 755 B12R1.8 BrCCCCCc1ccccc1 Amb2685449 [0,1,0,1,0,0|1,0,0]=3 756 B12R1.8 BrCCCCOc1ccccc1 Amb2795770 [0,1,0,1,0,0|2,0,0]=4 757 B12R1.8 BrCCCCSc1ccccc1 Amb8855496 [0,1,0,1,0,0|2,0,0]=4 758 B12R1.8 BrCCCOCc1ccccc1 Amb2722973 [0,1,0,1,0,0|2,0,0]=4 759 B12R1.8 BrCCCSCc1ccccc1 Amb9305027 [0,1,0,1,0,0|2,0,0]=4 760 B12R1.8 BrCCOCCc1ccccc1 Amb9208563 [0,1,0,1,0,0|2,0,0]=4 761 B12R1.8 C#CCCCCc1ccccc1 Amb18116407 [0,1,0,1,0,0|1,0,1]=4 762 B12R1.8 C=CCCCCc1ccccc1 Amb19930233 [0,1,0,1,0,0|1,0,1]=4 763 B12R1.8 CC#CCCCc1ccccc1 Amb4035132 [0,1,0,1,0,0|1,0,1]=4 764 B12R1.8 CCCCCCc1ccccc1 Amb6613187 [0,1,0,1,0,0|1,0,0]=3 765 B12R1.8 CCCCCCc1ccccn1 Amb6357996 [0,1,0,1,0,0|1,0,0]=3 766 B12R1.8 CCCCCCc1cccnc1 Amb10807465 [0,1,0,1,0,0|1,0,1]=4 767 B12R1.8 CCCCCCc1ccncc1 Amb22235257 [0,1,0,1,0,0|1,0,1]=4 768 B12R1.8 CCCCCCc1cnccn1 Amb22235243 [0,1,0,1,0,0|1,0,1]=4 769 B12R1.8 CCCCCOc1ccccc1 Amb1106330 [0,1,0,1,0,0|1,0,0]=3 770 B12R1.8 CCCCCOc1ccccn1 Amb22546240 [0,1,0,1,0,0|1,0,0]=3 771 B12R1.8 CCCCNCc1ccccc1 Amb2684625 [0,1,0,1,0,0|1,0,0]=3 772 B12R1.8 CCCCNCc1ccccn1 Amb20673556 [0,1,0,1,0,0|1,0,0]=3 773 B12R1.8 CCCCNCc1ccccn1 Amb2592505 [0,1,0,1,0,0|1,0,0]=3 774 B12R1.8 CCCCNCc1ccccn1 Amb6865336 [0,1,0,1,0,0|1,0,0]=3 775 B12R1.8 CCCCNCc1cccnc1 Amb20673559 [0,1,0,1,0,0|2,0,0]=4 776 B12R1.8 CCCCNCc1cccnc1 Amb6690982 [0,1,0,1,0,0|2,0,0]=4 777 B12R1.8 CCCCNCc1cccnc1 Amb6864497 [0,1,0,1,0,0|2,0,0]=4 778 B12R1.8 CCCCNCc1ccncc1 Amb20673560 [0,1,0,1,0,0|2,0,0]=4 779 B12R1.8 CCCCNCc1ccncc1 Amb6690985 [0,1,0,1,0,0|2,0,0]=4 780 B12R1.8 CCCCNCc1ccncc1 Amb6864523 [0,1,0,1,0,0|2,0,0]=4 781 B12R1.8 CCCCNCc1ccncn1 Amb18798472 [0,1,0,1,0,0|2,0,0]=4 782 B12R1.8 CCCCSSc1ccccn1 Amb24101204 [0,1,0,1,0,0|2,0,0]=4 783 B12R1.8 CCCC\C=C/c1ccccc1 Amb22546625 [0,1,0,1,0,0|1,0,1]=4 784 B12R1.8 CCCC\C=C\c1ccccn1 Amb19148732 [0,1,0,1,0,0|1,0,1]=4 785 B12R1.8 CCCNCCc1ccccc1 Amb2119486 [0,1,0,1,0,0|1,0,0]=3 786 B12R1.8 CCCNCCc1ccccc1 Amb4358610 [0,1,0,1,0,0|1,0,0]=3 787 B12R1.8 CCCNCCc1ccccn1 Amb6357625 [0,1,0,1,0,0|1,0,0]=3 788 B12R1.8 CCCNCCc1ccncc1 Amb2592521 [0,1,0,1,0,0|2,0,0]=4 789 B12R1.8 CCCNCCc1ncccn1 Amb18798464 [0,1,0,1,0,0|2,0,0]=4 790 B12R1.8 CCCNOCc1ccccc1 Amb26553937 [0,1,0,1,0,0|2,0,0]=4 791 B12R1.8 CCCOCCc1ccccn1 Amb2694532 [0,1,0,1,0,0|1,0,0]=3 792 B12R1.8 CCC\C=C/Cc1ccccc1 Amb22546636 [0,1,0,1,0,0|1,0,1]=4 793 B12R1.8 CCNCCCc1ccccc1 Amb2094490 [0,1,0,1,0,0|1,0,0]=3 794 B12R1.8 CCNCCCc1ccccc1 Amb6247947 [0,1,0,1,0,0|1,0,0]=3 795 B12R1.8 CCNCCOc1ccccc1 Amb2099717 [0,1,0,1,0,0|2,0,0]=4 796 B12R1.8 CCNCCOc1ccccc1 Amb6374462 [0,1,0,1,0,0|2,0,0]=4 797 B12R1.8 CCNCCSc1ccccc1 Amb10608724 [0,1,0,1,0,0|2,0,0]=4 798 B12R1.8 CCNCCSc1ccccn1 Amb19045126 [0,1,0,1,0,0|2,0,0]=4 799 B12R1.8 CCNCCSc1ccccn1 Amb32662329 [0,1,0,1,0,0|2,0,0]=4 800 B12R1.8 CCOCOCc1ccccc1 Amb27830530 [0,1,0,1,0,0|2,0,0]=4 801 B12R1.8 CCSCCNc1ccccc1 Amb17307513 [0,1,0,1,0,0|2,0,0]=4 802 B12R1.8 CNCCCCc1ccccc1 Amb10068774 [0,1,0,1,0,0|1,0,0]=3 803 B12R1.8 CNCCCCc1ccccc1 Amb8841760 [0,1,0,1,0,0|1,0,0]=3 804 B12R1.8 CNCCCNc1ccccc1 Amb13951704 [0,1,0,1,0,0|2,0,0]=4 805 B12R1.8 CNCCCOc1ccccc1 Amb30982582 [0,1,0,1,0,0|2,0,0]=4 806 B12R1.8 CNCCCOc1ccccc1 Amb6893131 [0,1,0,1,0,0|2,0,0]=4 807 B12R1.8 CNCCCSc1ccccc1 Amb10608730 [0,1,0,1,0,0|2,0,0]=4 808 B12R1.8 CNCCCSc1ccccc1 Amb22588097 [0,1,0,1,0,0|2,0,0]=4 809 B12R1.8 CNCCNCc1ccccc1 Amb9200691 [0,1,0,1,0,0|2,0,0]=4 810 B12R1.8 CNCCNCc1ccccn1 Amb18798456 [0,1,0,1,0,0|2,0,0]=4 811 B12R1.8 CNCCOCc1ccccc1 Amb20668782 [0,1,0,1,0,0|2,0,0]=4 812 B12R1.8 CNCCOCc1ccccc1 Amb6374318 [0,1,0,1,0,0|2,0,0]=4 813 B12R1.8 CNCCSCc1ccccc1 Amb18809641 [0,1,0,1,0,0|2,0,0]=4 814 B12R1.8 CNCCSCc1ccccn1 Amb21984677 [0,1,0,1,0,0|2,0,0]=4 815 B12R1.8 COCCCNc1ccccc1 Amb17232551 [0,1,0,1,0,0|2,0,0]=4 816 B12R1.8 COCCNCc1ccccc1 Amb33387674 [0,1,0,1,0,0|2,0,0]=4 817 B12R1.8 COCCNCc1ccccc1 Amb6410960 [0,1,0,1,0,0|2,0,0]=4 818 B12R1.8 COCCNCc1ccccn1 Amb1663439 [0,1,0,1,0,0|2,0,0]=4 819 B12R1.8 COCCNCc1ccccn1 Amb17622505 [0,1,0,1,0,0|2,0,0]=4 820 B12R1.8 COCCOCc1ccccc1 Amb27467682 [0,1,0,1,0,0|2,0,0]=4 821 B12R1.8 CONCCCc1ccccc1 Amb32411014 [0,1,0,1,0,0|2,0,0]=4 822 B12R1.8 ClCCCCCc1ccccc1 Amb10808064 [0,1,0,1,0,0|1,0,0]=3 823 B12R1.8 ClCCCCOc1ccccc1 Amb3940274 [0,1,0,1,0,0|2,0,0]=4 824 B12R1.8 ClCCCCSc1ccccc1 Amb18331364 [0,1,0,1,0,0|2,0,0]=4 825 B12R1.8 ClCCCNCc1ccccc1 Amb10766327 [0,1,0,1,0,0|2,0,0]=4 826 B12R1.8 ClCCCNCc1ccccc1 Amb27857637 [0,1,0,1,0,0|2,0,0]=4 827 B12R1.8 ClCCCNCc1ccccn1 Amb20573480 [0,1,0,1,0,0|2,0,0]=4 828 B12R1.8 ClCCCOCc1ccccc1 Amb6255314 [0,1,0,1,0,0|2,0,0]=4 829 B12R1.8 FCCCNCc1ccccc1 Amb27172983 [0,1,0,1,0,0|2,0,0]=4 830 B12R1.8 ICCCCCc1ccccc1 Amb32411025 [0,1,0,1,0,0|1,0,0]=3 831 B12R1.8 ICCCOCc1ccccc1 Amb26539397 [0,1,0,1,0,0|2,0,0]=4 832 B12R1.8 N#CCCCCc1ccccc1 Amb8392139 [0,1,0,1,0,0|1,0,1]=4 833 B12R1.8 N#C\C=C\C=C\N1CCCCC1 Amb27201293 [0,1,0,1,0,0|1,0,1]=4 834 B12R1.8 NCCCCCc1ccccc1 Amb18034503 [0,1,0,1,0,0|1,0,0]=3 835 B12R1.8 NCCCCCc1ccccn1 Amb18563643 [0,1,0,1,0,0|1,0,0]=3 836 B12R1.8 NCCCCNc1ccccn1 Amb13952725 [0,1,0,1,0,0|2,0,0]=4 837 B12R1.8 NCCCCOc1ccccc1 Amb482499 [0,1,0,1,0,0|2,0,0]=4 838 B12R1.8 NCCCCOc1ccccc1 Amb9677454 [0,1,0,1,0,0|2,0,0]=4 839 B12R1.8 NCCCCSc1ccccc1 Amb32662392 [0,1,0,1,0,0|2,0,0]=4 840 B12R1.8 NCCCCSc1ccccc1 Amb9391586 [0,1,0,1,0,0|2,0,0]=4 841 B12R1.8 NCCCCSc1ccccn1 Amb32662413 [0,1,0,1,0,0|2,0,0]=4 842 B12R1.8 NCCCCSc1ccccn1 Amb9391947 [0,1,0,1,0,0|2,0,0]=4 843 B12R1.8 NCCCNCc1ccccc1 Amb17720405 [0,1,0,1,0,0|2,0,0]=4 844 B12R1.8 NCCCNCc1ccccc1 Amb6774034 [0,1,0,1,0,0|2,0,0]=4 845 B12R1.8 NCCCNCc1ccccn1 Amb17315287 [0,1,0,1,0,0|2,0,0]=4 846 B12R1.8 NCCCOCc1ccccc1 Amb1217769 [0,1,0,1,0,0|2,0,0]=4 847 B12R1.8 NCCCSCc1ccccc1 Amb6265633 [0,1,0,1,0,0|2,0,0]=4 848 B12R1.8 NCCNCCc1ccccc1 Amb1086596 [0,1,0,1,0,0|2,0,0]=4 849 B12R1.8 NCCOCCc1ccccc1 Amb33547794 [0,1,0,1,0,0|2,0,0]=4 850 B12R1.8 NCCOCCc1ccccc1 Amb7790966 [0,1,0,1,0,0|2,0,0]=4 851 B12R1.8 O=CCCCCc1ccccc1 Amb18798121 [0,1,0,1,0,0|1,0,1]=4 852 B12R1.8 O=C\C=C/C=C/C1CCCCC1 Amb28322065 [0,1,0,1,0,0|0,0,0]=2 853 B12R1.8 O=C\C=C\C#CN1CCCCC1 Amb26053063 [0,1,0,1,0,0|0,0,2]=4 854 B12R1.8 O=C\C=C\C=C\N1CCCCC1 Amb28052704 [0,1,0,1,0,0|0,0,0]=2 855 B12R1.8 OCCCCOc1ccccc1 Amb9370678 [0,1,0,1,0,0|2,0,0]=4 856 B12R1.8 OCCCNCc1ccccc1 Amb2221510 [0,1,0,1,0,0|2,0,0]=4 857 B12R1.8 OCCCNCc1ccccc1 Amb4017628 [0,1,0,1,0,0|2,0,0]=4 858 B12R1.8 OCCCNCc1ccccn1 Amb33527209 [0,1,0,1,0,0|2,0,0]=4 859 B12R1.8 OCCCOCc1ccccc1 Amb4035606 [0,1,0,1,0,0|2,0,0]=4 860 B12R1.8 OCCCSCc1ccccc1 Amb6359471 [0,1,0,1,0,0|2,0,0]=4 861 B12R1.8 OCCNCCc1ccccc1 Amb6711760 [0,1,0,1,0,0|2,0,0]=4 862 B12R1.8 OCCOCCc1ccccc1 Amb18801040 [0,1,0,1,0,0|2,0,0]=4 863 B12R1.8 OCCSCCc1ccccn1 Amb10608714 [0,1,0,1,0,0|2,0,0]=4 864 B12R1.8 ONCCCCc1ccccc1 Amb32679349 [0,1,0,1,0,0|2,0,0]=4 865 B12R1.8 ONCCCCc1ccccc1 Amb32679459 [0,1,0,1,0,0|2,0,0]=4 866 B12R1.8 [C-]#[N+]CCCCc1ccccc1 Amb2690273 [0,1,0,1,0,0|1,0,1]=4 867 B12R1.18 CCCCC1C=CC=CCC1=O Amb27177858 [0,1,0,1,0,0|0,0,0]=2 868 B12R1.18 CCCCC1CCCC=CC1=O Amb28199947 [0,1,0,1,0,0|0,0,2]=4 869 B12R1.37 CCCCCC#Cc1cccs1 Amb27751697 [0,1,0,1,0,0|0,1,1]=4 870 B12R1.37 CCCCCCCc1ccco1 Amb10070289 [0,1,0,1,0,0|0,0,2]=4 871 B12R1.37 CCCCCCCc1cccs1 Amb24089104 [0,1,0,1,0,0|0,1,1]=4 872 B12R1.37 CCCCCNCc1ccco1 Amb5261471 [0,1,0,1,0,0|0,0,2]=4 873 B12R1.37 CCCCCNCc1cccs1 Amb837717 [0,1,0,1,0,0|0,1,1]=4 874 B12R1.45 CCCCCn1cccc1C=O Amb9336957 [0,1,0,1,0,0|0,0,0]=2 875 B12R1.45 CCCCCn1ccnc1C=O Amb2592425 [0,1,0,1,0,0|1,0,0]=3 876 B12R1.45 COCCCn1nccc1C=O Amb32652060 [0,1,0,1,0,0|2,0,0]=4 877 B12R1.121 CCCCc1ccccc1C#N Amb27156264 [0,1,0,1,0,0|1,0,1]=4 878 B12R1.121 CCCCc1ccccc1NN Amb3942594 [0,1,0,1,0,0|1,0,1]=4 879 B12R1.121 CCCOc1ccccc1C=O Amb1033069 [0,1,0,1,0,0|0,0,2]=4 880 B12R1.173 OCCC1=CC=CCCCCC1 Amb27261732 [0,1,0,1,0,0|0,0,2]=4 881 B12R1.215 O=C1C=CCCC=CCCCC1 Amb28198631 [0,1,0,1,0,0|0,0,2]=4 882 B12R1.215 O=C1CC=CC#CCCCCC1 Amb27486088 [0,1,0,1,0,0|0,0,2]=4 883 B12R1.267 BrCCCCc1ccccc1Br Amb34914026 [0,1,0,1,0,0|1,0,1]=4 884 B12R1.267 Brc1ccccc1CCCCI Amb34914024 [0,1,0,1,0,0|1,0,1]=4 885 B12R1.267 C#CCCCN1C=CC=CC1=O Amb27235178 [0,1,0,1,0,0|0,0,2]=4 886 B12R1.267 CC#CCCN1C=CC=CC1=O Amb27595839 [0,1,0,1,0,0|0,0,2]=4 887 B12R1.267 CCCCCc1ncncc1Br Amb10068165 [0,1,0,1,0,0|2,0,0]=4 888 B12R1.267 CCCCNc1ccccc1Br Amb6696452 [0,1,0,1,0,0|1,0,1]=4 889 B12R1.267 CCCCNc1ccccc1C Amb4016420 [0,1,0,1,0,0|1,0,1]=4 890 B12R1.267 CCCCNc1ccccc1Cl Amb4313689 [0,1,0,1,0,0|1,0,1]=4 891 B12R1.267 CCCCNc1ccccc1F Amb6697370 [0,1,0,1,0,0|1,0,1]=4 892 B12R1.267 CCCCNc1ccccc1N Amb7767737 [0,1,0,1,0,0|1,0,1]=4 893 B12R1.267 CCCCNc1ccccc1O Amb18646353 [0,1,0,1,0,0|0,0,2]=4 894 B12R1.267 CCCCNc1cccnc1C Amb27616824 [0,1,0,1,0,0|2,0,0]=4 895 B12R1.267 CCCCNc1cccnc1F Amb35725090 [0,1,0,1,0,0|2,0,0]=4 896 B12R1.267 CCCCNc1ccncc1F Amb28063758 [0,1,0,1,0,0|2,0,0]=4 897 B12R1.267 CCCCNc1ccncc1N Amb7767727 [0,1,0,1,0,0|2,0,0]=4 898 B12R1.267 CCCCNc1ccncc1O Amb28240840 [0,1,0,1,0,0|1,0,1]=4 899 B12R1.267 CCCCNc1ncccc1F Amb18314049 [0,1,0,1,0,0|2,0,0]=4 900 B12R1.267 CCCCNc1ncccc1N Amb7767733 [0,1,0,1,0,0|2,0,0]=4 901 B12R1.267 CCCCOC1=CC=CNC1=O Amb18034630 [0,1,0,1,0,0|1,0,0]=3 902 B12R1.267 CCCCOc1ccccc1Br Amb6272446 [0,1,0,1,0,0|1,0,1]=4 903 B12R1.267 CCCCOc1ccccc1N Amb1033054 [0,1,0,1,0,0|1,0,1]=4 904 B12R1.267 CCCCOc1ccccc1O Amb8837327 [0,1,0,1,0,0|0,0,2]=4 905 B12R1.267 CCCCOc1cccnc1Cl Amb20242808 [0,1,0,1,0,0|2,0,0]=4 906 B12R1.267 CCCCOc1cccnc1N Amb9208363 [0,1,0,1,0,0|2,0,0]=4 907 B12R1.267 CCCCOc1ccncc1N Amb8895012 [0,1,0,1,0,0|2,0,0]=4 908 B12R1.267 CCCCOc1cnccc1N Amb33035436 [0,1,0,1,0,0|2,0,0]=4 909 B12R1.267 CCCCOc1ncccc1Cl Amb24308905 [0,1,0,1,0,0|2,0,0]=4 910 B12R1.267 CCCCOc1ncccc1N Amb8895018 [0,1,0,1,0,0|2,0,0]=4 911 B12R1.267 CCCNCc1ccccc1Br Amb19892805 [0,1,0,1,0,0|1,0,1]=4 912 B12R1.267 CCCNCc1ccccc1Br Amb6272793 [0,1,0,1,0,0|1,0,1]=4 913 B12R1.267 CCCNCc1ccccc1C Amb6276128 [0,1,0,1,0,0|1,0,1]=4 914 B12R1.267 CCCNCc1ccccc1C Amb6865254 [0,1,0,1,0,0|1,0,1]=4 915 B12R1.267 CCCNCc1ccccc1Cl Amb6271434 [0,1,0,1,0,0|1,0,1]=4 916 B12R1.267 CCCNCc1ccccc1Cl Amb6542582 [0,1,0,1,0,0|1,0,1]=4 917 B12R1.267 CCCNCc1ccccc1F Amb6258177 [0,1,0,1,0,0|1,0,1]=4 918 B12R1.267 CCCNCc1ccccc1F Amb6865253 [0,1,0,1,0,0|1,0,1]=4 919 B12R1.267 CCCNCc1ccccc1O Amb20673481 [0,1,0,1,0,0|0,0,2]=4 920 B12R1.267 CCCNCc1ccccc1O Amb6281040 [0,1,0,1,0,0|0,0,2]=4 921 B12R1.267 CCCSCc1ccccc1Br Amb22228182 [0,1,0,1,0,0|1,0,1]=4 922 B12R1.267 CCNCCc1ccccc1C Amb8841498 [0,1,0,1,0,0|1,0,1]=4 923 B12R1.267 CCNCCc1ccccc1Cl Amb8853702 [0,1,0,1,0,0|1,0,1]=4 924 B12R1.267 CCNCCc1ccccc1F Amb6693099 [0,1,0,1,0,0|1,0,1]=4 925 B12R1.267 CNCCCc1ccccc1Br Amb17605546 [0,1,0,1,0,0|1,0,1]=4 926 B12R1.267 CNCCCc1ccccc1C Amb17104499 [0,1,0,1,0,0|1,0,1]=4 927 B12R1.267 CNCCCc1ccccc1Cl Amb17104507 [0,1,0,1,0,0|1,0,1]=4 928 B12R1.267 CNCCCc1ccccc1F Amb17104502 [0,1,0,1,0,0|1,0,1]=4 929 B12R1.267 Cc1ccccc1CCCCBr Amb34914032 [0,1,0,1,0,0|1,0,1]=4 930 B12R1.267 Cc1ccccc1CCCCN Amb17991254 [0,1,0,1,0,0|1,0,1]=4 931 B12R1.267 Cc1ccccc1CCCCN Amb5735492 [0,1,0,1,0,0|1,0,1]=4 932 B12R1.267 Cc1ccccc1CCCCO Amb34913207 [0,1,0,1,0,0|1,0,1]=4 933 B12R1.267 Cc1ccccc1CCCCS Amb18564154 [0,1,0,1,0,0|1,0,1]=4 934 B12R1.267 Cc1cccnc1CCCCN Amb32953263 [0,1,0,1,0,0|2,0,0]=4 935 B12R1.267 Cc1ccncc1CCCCN Amb18828701 [0,1,0,1,0,0|2,0,0]=4 936 B12R1.267 Cc1cnccc1CCCCN Amb33426428 [0,1,0,1,0,0|2,0,0]=4 937 B12R1.267 Cc1ncccc1CCCCN Amb32881346 [0,1,0,1,0,0|2,0,0]=4 938 B12R1.267 Clc1ccccc1CCCCBr Amb34914033 [0,1,0,1,0,0|1,0,1]=4 939 B12R1.267 Fc1ccccc1CCCCBr Amb34914037 [0,1,0,1,0,0|1,0,1]=4 940 B12R1.267 Fc1ccccc1CCCCI Amb34914090 [0,1,0,1,0,0|1,0,1]=4 941 B12R1.267 Fc1ccccc1CCCCS Amb18066143 [0,1,0,1,0,0|1,0,1]=4 942 B12R1.267 N#CCCCN1C=CC=CC1=O Amb18041800 [0,1,0,1,0,0|1,0,1]=4 943 B12R1.267 NCCCCN1C=CC=CC1=O Amb18535494 [0,1,0,1,0,0|1,0,0]=3 944 B12R1.267 NCCCCc1ccccc1Br Amb18069064 [0,1,0,1,0,0|1,0,1]=4 945 B12R1.267 NCCCCc1ccccc1Cl Amb22904185 [0,1,0,1,0,0|1,0,1]=4 946 B12R1.267 NCCCCc1ccccc1Cl Amb5735501 [0,1,0,1,0,0|1,0,1]=4 947 B12R1.267 NCCCCc1ccccc1F Amb18524598 [0,1,0,1,0,0|1,0,1]=4 948 B12R1.267 NCCCCc1ccccc1F Amb5735495 [0,1,0,1,0,0|1,0,1]=4 949 B12R1.267 NCCCCc1ccccc1O Amb18828230 [0,1,0,1,0,0|0,0,2]=4 950 B12R1.267 NCCCCc1cccnc1Br Amb33388117 [0,1,0,1,0,0|2,0,0]=4 951 B12R1.267 NCCCCc1cccnc1Cl Amb33257389 [0,1,0,1,0,0|2,0,0]=4 952 B12R1.267 NCCCCc1cccnc1F Amb33377145 [0,1,0,1,0,0|2,0,0]=4 953 B12R1.267 NCCCCc1ccncc1Br Amb33478368 [0,1,0,1,0,0|2,0,0]=4 954 B12R1.267 NCCCCc1ccncc1Cl Amb33220578 [0,1,0,1,0,0|2,0,0]=4 955 B12R1.267 NCCCCc1ccncc1F Amb33316819 [0,1,0,1,0,0|2,0,0]=4 956 B12R1.267 NCCCCc1ncccc1Br Amb33451068 [0,1,0,1,0,0|2,0,0]=4 957 B12R1.267 NCCCCc1ncccc1F Amb33418424 [0,1,0,1,0,0|2,0,0]=4 958 B12R1.267 O=C\C=C\CC1CCCCC1O Amb27859379 [0,1,0,1,0,0|0,0,2]=4 959 B12R1.267 OCCCCc1ccccc1Br Amb34003425 [0,1,0,1,0,0|1,0,1]=4 960 B12R1.267 OCCCCc1ccccc1Cl Amb4037443 [0,1,0,1,0,0|1,0,1]=4 961 B12R1.267 OCCCCc1ccccc1F Amb34913201 [0,1,0,1,0,0|1,0,1]=4 962 B12R1.267 SCCCCc1ccccc1Br Amb18576923 [0,1,0,1,0,0|1,0,1]=4 963 B12R1.267 SCCCCc1ccccc1Cl Amb18066299 [0,1,0,1,0,0|1,0,1]=4 964 B12R1.329 O=CCCC1C=CCCCCC1 Amb28255663 [0,1,0,1,0,0|0,0,2]=4 965 B12R1.329 O=C\C=C\C1CCCCCCC1 Amb28315294 [0,1,0,1,0,0|0,0,2]=4 966 B12R1.372 CCCCCCC1=CCCC1=O Amb533163 [0,1,0,1,0,0|0,0,2]=4 967 B12R1.372 CCCCCCc1ccsc1Br Amb19957831 [0,1,0,1,0,0|1,0,1]=4 968 B12R1.372 CCCCNCc1cccn1C Amb19890352 [0,1,0,1,0,0|2,0,0]=4 969 B12R1.372 CCCCNCc1cccn1C Amb7758624 [0,1,0,1,0,0|2,0,0]=4 970 B12R1.372 CCCCNCc1cscc1Br Amb32678203 [0,1,0,1,0,0|2,0,0]=4 971 B12R1.372 CCCCNCc1sccc1C Amb1927261 [0,1,0,1,0,0|2,0,0]=4 972 B12R1.372 CCCCNCc1sccc1C Amb6864542 [0,1,0,1,0,0|2,0,0]=4 973 B12R1.372 CCC\C=C\C=C1/CC=CC1=O Amb27175903 [0,1,0,1,0,0|0,0,2]=4 974 B12R1.1414 OC\C=C\C=C1CCCCCC1 Amb27589681 [0,1,0,1,0,0|0,0,2]=4 975 B12R1.28 BrCCCCc1cccc(Br)c1 Amb34914035 [0,1,0,1,0,0|2,0,0]=4 976 B12R1.28 CCCCCc1cccc(F)c1 Amb22235097 [0,1,0,1,0,0|1,0,0]=3 977 B12R1.28 CCCCCc1cccc(O)c1 Amb8388639 [0,1,0,1,0,0|0,0,1]=3 978 B12R1.28 CCCCNc1cc(N)ccn1 Amb17334646 [0,1,0,1,0,0|2,0,0]=4 979 B12R1.28 CCCCNc1cccc(Br)c1 Amb6696673 [0,1,0,1,0,0|2,0,0]=4 980 B12R1.28 CCCCNc1cccc(C)c1 Amb6684517 [0,1,0,1,0,0|2,0,0]=4 981 B12R1.28 CCCCNc1cccc(Cl)c1 Amb6695729 [0,1,0,1,0,0|2,0,0]=4 982 B12R1.28 CCCCNc1cccc(F)c1 Amb6695886 [0,1,0,1,0,0|2,0,0]=4 983 B12R1.28 CCCCNc1cccc(F)n1 Amb18177869 [0,1,0,1,0,0|2,0,0]=4 984 B12R1.28 CCCCNc1cccc(I)c1 Amb19232035 [0,1,0,1,0,0|2,0,0]=4 985 B12R1.28 CCCCNc1cccc(I)c1 Amb7760185 [0,1,0,1,0,0|2,0,0]=4 986 B12R1.28 CCCCNc1cccc(N)n1 Amb28042682 [0,1,0,1,0,0|2,0,0]=4 987 B12R1.28 CCCCOc1cc(Br)ccn1 Amb22276477 [0,1,0,1,0,0|2,0,0]=4 988 B12R1.28 CCCCOc1cc(Cl)ccn1 Amb22276195 [0,1,0,1,0,0|2,0,0]=4 989 B12R1.28 CCCCOc1cc(N)ccn1 Amb18798584 [0,1,0,1,0,0|2,0,0]=4 990 B12R1.28 CCCCOc1cccc(Br)c1 Amb6665074 [0,1,0,1,0,0|2,0,0]=4 991 B12R1.28 CCCCOc1cccc(Br)n1 Amb19959446 [0,1,0,1,0,0|2,0,0]=4 992 B12R1.28 CCCCOc1cccc(N)c1 Amb1132055 [0,1,0,1,0,0|2,0,0]=4 993 B12R1.28 CCCCOc1cccc(N)c1 Amb2140562 [0,1,0,1,0,0|2,0,0]=4 994 B12R1.28 CCCCOc1cccc(O)c1 Amb3939658 [0,1,0,1,0,0|1,0,1]=4 995 B12R1.28 CCCCOc1cccc([NH3+])c1 Amb22483190 [0,1,0,1,0,0|2,0,0]=4 996 B12R1.28 CCCCSc1cc(Cl)ccn1 Amb22236363 [0,1,0,1,0,0|2,0,0]=4 997 B12R1.28 CCCNCC1=CC=CC(=O)N1 Amb32721815 [0,1,0,1,0,0|1,0,0]=3 998 B12R1.28 CCCNCc1cccc(Br)c1 Amb1922696 [0,1,0,1,0,0|2,0,0]=4 999 B12R1.28 CCCNCc1cccc(Br)c1 Amb6864727 [0,1,0,1,0,0|2,0,0]=4 1000 B12R1.28 CCCNCc1cccc(C)c1 Amb20673492 [0,1,0,1,0,0|2,0,0]=4 1001 B12R1.28 CCCNCc1cccc(C)c1 Amb6268946 [0,1,0,1,0,0|2,0,0]=4 1002 B12R1.28 CCCNCc1cccc(C)n1 Amb2592512 [0,1,0,1,0,0|2,0,0]=4 1003 B12R1.28 CCCNCc1cccc(Cl)c1 Amb1923473 [0,1,0,1,0,0|2,0,0]=4 1004 B12R1.28 CCCNCc1cccc(Cl)c1 Amb6865252 [0,1,0,1,0,0|2,0,0]=4 1005 B12R1.28 CCCNCc1cccc(F)c1 Amb20673497 [0,1,0,1,0,0|2,0,0]=4 1006 B12R1.28 CCCNCc1cccc(F)c1 Amb6267755 [0,1,0,1,0,0|2,0,0]=4 1007 B12R1.28 CCCNCc1cccc(O)c1 Amb20673478 [0,1,0,1,0,0|1,0,1]=4 1008 B12R1.28 CCCNCc1cccc(O)c1 Amb6263095 [0,1,0,1,0,0|1,0,1]=4 1009 B12R1.28 CCCOCc1cccc(N)c1 Amb8874545 [0,1,0,1,0,0|2,0,0]=4 1010 B12R1.28 CCNCCc1cccc(Br)c1 Amb17407066 [0,1,0,1,0,0|2,0,0]=4 1011 B12R1.28 CCNCCc1cccc(C)c1 Amb17193871 [0,1,0,1,0,0|2,0,0]=4 1012 B12R1.28 CCNCCc1cccc(Cl)c1 Amb5785538 [0,1,0,1,0,0|2,0,0]=4 1013 B12R1.28 CCNCCc1cccc(F)c1 Amb8841507 [0,1,0,1,0,0|2,0,0]=4 1014 B12R1.28 CCNCCc1cccc(N)c1 Amb18550383 [0,1,0,1,0,0|2,0,0]=4 1015 B12R1.28 CNCCCc1cccc(Br)c1 Amb17104522 [0,1,0,1,0,0|2,0,0]=4 1016 B12R1.28 CNCCCc1cccc(C)c1 Amb17104500 [0,1,0,1,0,0|2,0,0]=4 1017 B12R1.28 CNCCCc1cccc(Cl)c1 Amb17104508 [0,1,0,1,0,0|2,0,0]=4 1018 B12R1.28 CNCCCc1cccc(F)c1 Amb17605539 [0,1,0,1,0,0|2,0,0]=4 1019 B12R1.28 Cc1cccc(CCCCBr)c1 Amb34914030 [0,1,0,1,0,0|2,0,0]=4 1020 B12R1.28 Cc1cccc(CCCCI)c1 Amb34914023 [0,1,0,1,0,0|2,0,0]=4 1021 B12R1.28 Cc1cccc(CCCCN)c1 Amb5735493 [0,1,0,1,0,0|2,0,0]=4 1022 B12R1.28 Cc1cccc(CCCCN)n1 Amb33172172 [0,1,0,1,0,0|2,0,0]=4 1023 B12R1.28 Cc1cccc(CCCCO)c1 Amb34913399 [0,1,0,1,0,0|2,0,0]=4 1024 B12R1.28 Cc1cccc(CCCCO)n1 Amb23441243 [0,1,0,1,0,0|2,0,0]=4 1025 B12R1.28 Cc1cccc(CCCCS)c1 Amb18564155 [0,1,0,1,0,0|2,0,0]=4 1026 B12R1.28 Cc1ccnc(CCCCN)c1 Amb18828700 [0,1,0,1,0,0|2,0,0]=4 1027 B12R1.28 Clc1cccc(CCCCBr)c1 Amb32668134 [0,1,0,1,0,0|2,0,0]=4 1028 B12R1.28 Fc1cccc(CCCCBr)c1 Amb34914038 [0,1,0,1,0,0|2,0,0]=4 1029 B12R1.28 Fc1cccc(CCCCS)c1 Amb18564294 [0,1,0,1,0,0|2,0,0]=4 1030 B12R1.28 NCCCCc1cc(F)ccn1 Amb33325521 [0,1,0,1,0,0|2,0,0]=4 1031 B12R1.28 NCCCCc1cccc(Br)c1 Amb18549204 [0,1,0,1,0,0|2,0,0]=4 1032 B12R1.28 NCCCCc1cccc(Br)n1 Amb33433540 [0,1,0,1,0,0|2,0,0]=4 1033 B12R1.28 NCCCCc1cccc(Cl)c1 Amb5735502 [0,1,0,1,0,0|2,0,0]=4 1034 B12R1.28 NCCCCc1cccc(Cl)n1 Amb33222639 [0,1,0,1,0,0|2,0,0]=4 1035 B12R1.28 NCCCCc1cccc(F)c1 Amb18563815 [0,1,0,1,0,0|2,0,0]=4 1036 B12R1.28 NCCCCc1cccc(O)c1 Amb32954959 [0,1,0,1,0,0|1,0,1]=4 1037 B12R1.28 OCCCCc1cccc(Br)c1 Amb20668830 [0,1,0,1,0,0|2,0,0]=4 1038 B12R1.28 OCCCCc1cccc(Cl)c1 Amb32667642 [0,1,0,1,0,0|2,0,0]=4 1039 B12R1.28 OCCCCc1cccc(F)c1 Amb34913274 [0,1,0,1,0,0|2,0,0]=4 1040 B12R1.28 SCCCCc1cccc(Br)c1 Amb18072286 [0,1,0,1,0,0|2,0,0]=4 1041 B12R1.28 SCCCCc1cccc(Cl)c1 Amb18565790 [0,1,0,1,0,0|2,0,0]=4 1042 B12R1.32 CC(=C\C=O)\C=C1\C=CCCC1 Amb27493467 [0,1,0,1,0,0|0,0,2]=4 1043 B12R1.32 CC(CCN)Cc1ccccc1 Amb17232439 [0,1,0,1,0,0|2,0,0]=4 1044 B12R1.32 CC(CCO)Cc1ccccc1 Amb17232486 [0,1,0,1,0,0|2,0,0]=4 1045 B12R1.32 CCCC(=O)Cc1ccccc1 Amb3940679 [0,1,0,1,0,0|1,0,1]=4 1046 B12R1.32 CCCC(C)Nc1ccccc1 Amb6685188 [0,1,0,1,0,0|2,0,0]=4 1047 B12R1.32 CCCC(N)Cc1ccccc1 Amb18180073 [0,1,0,1,0,0|1,0,0]=3 1048 B12R1.32 CCNC(C)Cc1ccccc1 Amb18552940 [0,1,0,1,0,0|2,0,0]=4 1049 B12R1.32 CCNC(C)Cc1ccccn1 Amb1995151 [0,1,0,1,0,0|2,0,0]=4 1050 B12R1.32 CNCC(C)Cc1ccccc1 Amb19023878 [0,1,0,1,0,0|2,0,0]=4 1051 B12R1.32 CNCC(N)Cc1ccccc1 Amb19009730 [0,1,0,1,0,0|2,0,0]=4 1052 B12R1.32 CNCC(O)Cc1ccccc1 Amb17193901 [0,1,0,1,0,0|2,0,0]=4 1053 B12R1.32 CNCC(O)Cc1ccccc1 Amb32661172 [0,1,0,1,0,0|2,0,0]=4 1054 B12R1.32 COCC(N)Cc1ccccc1 Amb20623561 [0,1,0,1,0,0|2,0,0]=4 1055 B12R1.32 COC[C@@H](N)Cc1ccccc1 Amb3940159 [0,1,0,1,0,0|2,0,0]=4 1056 B12R1.32 COC[C@@H](N)Cc1ccccc1 Amb4037107 [0,1,0,1,0,0|2,0,0]=4 1057 B12R1.32 COC[C@H](N)Cc1ccccc1 Amb33871543 [0,1,0,1,0,0|2,0,0]=4 1058 B12R1.32 C\C(=C/C1=CCCCC1)CC=O Amb27974042 [0,1,0,1,0,0|0,0,2]=4 1059 B12R1.32 NC(CCO)Cc1ccccc1 Amb28872403 [0,1,0,1,0,0|2,0,0]=4 1060 B12R1.32 NC(CCO)Cc1ccccc1 Amb8392175 [0,1,0,1,0,0|2,0,0]=4 1061 B12R1.32 NCCC(F)Cc1ccccc1 Amb32954290 [0,1,0,1,0,0|2,0,0]=4 1062 B12R1.32 NCCC(N)Cc1ccccc1 Amb33039576 [0,1,0,1,0,0|2,0,0]=4 1063 B12R1.32 NCCC(O)Cc1ccccc1 Amb17232552 [0,1,0,1,0,0|2,0,0]=4 1064 B12R1.32 NCCC(O)Cc1ccccn1 Amb18827677 [0,1,0,1,0,0|2,0,0]=4 1065 B12R1.32 NCC[C@@H](O)Cc1ccccc1 Amb32953160 [0,1,0,1,0,0|2,0,0]=4 1066 B12R1.32 NCC[C@H](O)Cc1ccccc1 Amb32953161 [0,1,0,1,0,0|2,0,0]=4 1067 B12R1.32 O=CCC(=O)C=C1CCCCC1 Amb27799901 [0,1,0,1,0,0|0,0,1]=3 1068 B12R1.69 CC1=CC(=O)N(CCCCl)C=C1 Amb19045938 [0,1,0,1,0,0|2,0,0]=4 1069 B12R1.69 CC1=CC(=O)N(CCCN)C=C1 Amb18010722 [0,1,0,1,0,0|2,0,0]=4 1070 B12R1.69 CC1=CC(=O)N(CCCO)C=C1 Amb18041291 [0,1,0,1,0,0|2,0,0]=4 1071 B12R1.69 CC1=CC(=O)N(CCCS)C=C1 Amb28422679 [0,1,0,1,0,0|2,0,0]=4 1072 B12R1.69 CCCCN1C=CC(=O)C=C1Cl Amb27457348 [0,1,0,1,0,0|2,0,0]=4 1073 B12R1.69 CCCCN1C=CC(=O)NC1=O Amb20243239 [0,1,0,1,0,0|2,0,0]=4 1074 B12R1.69 CCCCN1C=CC(Br)=CC1=O Amb24645127 [0,1,0,1,0,0|1,0,0]=3 1075 B12R1.69 CCCCN1C=CC(C)=CC1=O Amb18403659 [0,1,0,1,0,0|1,0,0]=3 1076 B12R1.69 CCCCN1C=CC(C)=NC1=O Amb26375755 [0,1,0,1,0,0|2,0,0]=4 1077 B12R1.69 CCCCN1C=CC(N)=NC1=O Amb18646788 [0,1,0,1,0,0|2,0,0]=4 1078 B12R1.69 CCCCN1C=NC(Cl)=CC1=O Amb27840820 [0,1,0,1,0,0|2,0,0]=4 1079 B12R1.69 CCCCN1N=CC(I)=CC1=O Amb28363935 [0,1,0,1,0,0|2,0,0]=4 1080 B12R1.69 CCCCc1ccc(I)cc1N Amb28287217 [0,1,0,1,0,0|1,0,1]=4 1081 B12R1.69 CCCCc1ccc(N)cc1C Amb26517027 [0,1,0,1,0,0|1,0,1]=4 1082 B12R1.69 CCCCc1ccc(N)cc1Cl Amb25858096 [0,1,0,1,0,0|1,0,1]=4 1083 B12R1.69 CCCCc1ccc(N)cc1N Amb28245267 [0,1,0,1,0,0|1,0,1]=4 1084 B12R1.69 CCCCc1ccc(N)cc1O Amb28250041 [0,1,0,1,0,0|0,0,2]=4 1085 B12R1.69 CCCCc1ccc(O)cc1F Amb28248864 [0,1,0,1,0,0|1,0,1]=4 1086 B12R1.69 CCCCc1ccc(O)cc1O Amb8393298 [0,1,0,1,0,0|0,0,2]=4 1087 B12R1.69 COCCN1C=CC(Br)=CC1=O Amb25958557 [0,1,0,1,0,0|2,0,0]=4 1088 B12R1.69 COCCN1C=CC(N)=CC1=O Amb22736857 [0,1,0,1,0,0|2,0,0]=4 1089 B12R1.69 COCCN1C=CC(N)=CC1=O Amb30869772 [0,1,0,1,0,0|2,0,0]=4 1090 B12R1.69 CSCCN1C=CC(C)=CC1=O Amb28342136 [0,1,0,1,0,0|2,0,0]=4 1091 B12R1.141 CC1=CC(=O)CCCCCCC1 Amb28253959 [0,1,0,1,0,0|0,0,2]=4 1092 B12R1.170 C\C=C\C1=CC(O)CCCCC1 Amb28126992 [0,1,0,1,0,0|1,0,1]=4 1093 B12R1.308 CCCC(C)c1ccccc1C Amb27244850 [0,1,0,1,0,0|1,0,1]=4 1094 B12R1.308 CCCC(C)c1ccccc1O Amb3939443 [0,1,0,1,0,0|0,0,2]=4 1095 B12R1.308 CCCC(Cl)c1ccccc1Cl Amb27808095 [0,1,0,1,0,0|1,0,1]=4 1096 B12R1.308 CCCC(N)c1ccccc1Br Amb27815075 [0,1,0,1,0,0|1,0,1]=4 1097 B12R1.308 CCCC(N)c1ccccc1C Amb17232446 [0,1,0,1,0,0|1,0,1]=4 1098 B12R1.308 CCCC(N)c1ccccc1C Amb32662363 [0,1,0,1,0,0|1,0,1]=4 1099 B12R1.308 CCCC(N)c1ccccc1Cl Amb17234047 [0,1,0,1,0,0|1,0,1]=4 1100 B12R1.308 CCCC(N)c1ccccc1F Amb17232645 [0,1,0,1,0,0|1,0,1]=4 1101 B12R1.308 CCCC(N)c1ccccc1F Amb30982461 [0,1,0,1,0,0|1,0,1]=4 1102 B12R1.308 CCCC(O)c1ccccc1C Amb17232483 [0,1,0,1,0,0|1,0,1]=4 1103 B12R1.308 CCCC(O)c1ccccc1Cl Amb17234154 [0,1,0,1,0,0|1,0,1]=4 1104 B12R1.308 CCCC(O)c1ccccc1F Amb17232666 [0,1,0,1,0,0|1,0,1]=4 1105 B12R1.308 CCC[C@@H](N)c1ccccc1C Amb27391198 [0,1,0,1,0,0|1,0,1]=4 1106 B12R1.308 CCC[C@@H](N)c1ccccc1Cl Amb27196196 [0,1,0,1,0,0|1,0,1]=4 1107 B12R1.308 CCC[C@@H](O)c1ccccc1F Amb28064219 [0,1,0,1,0,0|1,0,1]=4 1108 B12R1.308 CCC[C@H](N)c1ccccc1C Amb26841003 [0,1,0,1,0,0|1,0,1]=4 1109 B12R1.308 CCC[C@H](N)c1ccccc1F Amb27830664 [0,1,0,1,0,0|1,0,1]=4 1110 B12R1.308 CCC[C@H](N)c1ccccc1I Amb28401584 [0,1,0,1,0,0|1,0,1]=4 1111 B12R1.308 CCC[C@H](N)c1ccccc1O Amb28072846 [0,1,0,1,0,0|0,0,2]=4 1112 B12R1.308 CCC[C@H](N)c1ccccc1S Amb27816971 [0,1,0,1,0,0|0,1,1]=4 1113 B12R1.308 CCC[C@H](O)c1ccccc1Br Amb27661408 [0,1,0,1,0,0|1,0,1]=4 1114 B12R1.308 CCC[C@H](O)c1ccccc1Cl Amb28381799 [0,1,0,1,0,0|1,0,1]=4 1115 B12R1.316 CCCC(=O)n1cccc1C=O Amb17215884 [0,1,0,1,0,0|1,0,1]=4 1116 B12R1.340 CCCc1ccc(\C=C\C=O)s1 Amb33266828 [0,1,0,1,0,0|0,0,2]=4 1117 B12R1.456 [*]c1cc(CCCCC)c([*])s1 Amb32414729 [0,1,0,1,0,0|2,0,0]=4 1118 B12R1.542 CCCC1CC=CC(C)C1C=O Amb28042889 [0,1,0,1,0,0|0,0,2]=4 1119 B12R1.542 CCCc1nccc(C)c1C=O Amb28074683 [0,1,0,1,0,0|1,0,1]=4 1120 B12R1.1564 C=CCC(=O)C1=CCCCCC1 Amb27770115 [0,1,0,1,0,0|1,0,1]=4 1121 B12R1.1564 C\C=C\C(=O)C1=CCCCCC1 Amb26336774 [0,1,0,1,0,0|1,0,0]=3 1122 B12R1.1 BrCCCCc1ccc(Br)cc1 Amb33801561 [0,1,0,1,0,0|2,0,0]=4 1123 B12R1.1 Brc1ccc(CCCCI)cc1 Amb34914019 [0,1,0,1,0,0|2,0,0]=4 1124 B12R1.1 CC1CCC(=C\C=C/C=O)CC1 Amb27798265 [0,1,0,1,0,0|0,0,0]=2 1125 B12R1.1 CC1CCC(=C\C=C\C=O)CC1 Amb27827395 [0,1,0,1,0,0|0,0,0]=2 1126 B12R1.1 CC1CCC(=C\C=C\CO)CC1 Amb28207216 [0,1,0,1,0,0|0,0,2]=4 1127 B12R1.1 CCCCCc1ccc(Br)cc1 Amb2413171 [0,1,0,1,0,0|1,0,0]=3 1128 B12R1.1 CCCCCc1ccc(Cl)cc1 Amb2686308 [0,1,0,1,0,0|1,0,0]=3 1129 B12R1.1 CCCCCc1ccc(F)cc1 Amb2688281 [0,1,0,1,0,0|1,0,0]=3 1130 B12R1.1 CCCCCc1ccc(I)cc1 Amb2688867 [0,1,0,1,0,0|1,0,0]=3 1131 B12R1.1 CCCCCc1ccc(O)cc1 Amb2690078 [0,1,0,1,0,0|1,0,0]=3 1132 B12R1.1 CCCCCc1ncc(N)cn1 Amb18560901 [0,1,0,1,0,0|2,0,0]=4 1133 B12R1.1 CCCCNc1ccc(Br)cc1 Amb4313695 [0,1,0,1,0,0|2,0,0]=4 1134 B12R1.1 CCCCNc1ccc(Br)cn1 Amb6646798 [0,1,0,1,0,0|2,0,0]=4 1135 B12R1.1 CCCCNc1ccc(C)cc1 Amb4313688 [0,1,0,1,0,0|2,0,0]=4 1136 B12R1.1 CCCCNc1ccc(Cl)cc1 Amb4313690 [0,1,0,1,0,0|2,0,0]=4 1137 B12R1.1 CCCCNc1ccc(F)cc1 Amb4313696 [0,1,0,1,0,0|2,0,0]=4 1138 B12R1.1 CCCCNc1ccc(I)cc1 Amb7759888 [0,1,0,1,0,0|2,0,0]=4 1139 B12R1.1 CCCCNc1ccc(N)cn1 Amb9205254 [0,1,0,1,0,0|2,0,0]=4 1140 B12R1.1 CCCCNc1ccc(O)cc1 Amb9608868 [0,1,0,1,0,0|2,0,0]=4 1141 B12R1.1 CCCCOc1ccc(Br)cc1 Amb2721157 [0,1,0,1,0,0|2,0,0]=4 1142 B12R1.1 CCCCOc1ccc(Br)cn1 Amb20242025 [0,1,0,1,0,0|2,0,0]=4 1143 B12R1.1 CCCCOc1ccc(Cl)cc1 Amb9787615 [0,1,0,1,0,0|2,0,0]=4 1144 B12R1.1 CCCCOc1ccc(I)cc1 Amb19929171 [0,1,0,1,0,0|2,0,0]=4 1145 B12R1.1 CCCCOc1ccc(N)cc1 Amb1127017 [0,1,0,1,0,0|2,0,0]=4 1146 B12R1.1 CCCCOc1ccc(N)cn1 Amb33526924 [0,1,0,1,0,0|2,0,0]=4 1147 B12R1.1 CCCCOc1ccc(N)cn1 Amb4017541 [0,1,0,1,0,0|2,0,0]=4 1148 B12R1.1 CCCCOc1ccc(O)cc1 Amb3939308 [0,1,0,1,0,0|2,0,0]=4 1149 B12R1.1 CCCCSc1ccc(Br)cc1 Amb22227904 [0,1,0,1,0,0|2,0,0]=4 1150 B12R1.1 CCCCSc1ccc(N)cc1 Amb6543486 [0,1,0,1,0,0|2,0,0]=4 1151 B12R1.1 CCCCSc1ccc(N)cn1 Amb8932394 [0,1,0,1,0,0|2,0,0]=4 1152 B12R1.1 CCCNCc1ccc(Br)cc1 Amb19890387 [0,1,0,1,0,0|2,0,0]=4 1153 B12R1.1 CCCNCc1ccc(Br)cc1 Amb837679 [0,1,0,1,0,0|2,0,0]=4 1154 B12R1.1 CCCNCc1ccc(C)cc1 Amb1215690 [0,1,0,1,0,0|2,0,0]=4 1155 B12R1.1 CCCNCc1ccc(C)cc1 Amb19890384 [0,1,0,1,0,0|2,0,0]=4 1156 B12R1.1 CCCNCc1ccc(Cl)cc1 Amb10782093 [0,1,0,1,0,0|2,0,0]=4 1157 B12R1.1 CCCNCc1ccc(Cl)cc1 Amb838374 [0,1,0,1,0,0|2,0,0]=4 1158 B12R1.1 CCCNCc1ccc(F)cc1 Amb6864724 [0,1,0,1,0,0|2,0,0]=4 1159 B12R1.1 CCCNCc1ccc(F)cc1 Amb838017 [0,1,0,1,0,0|2,0,0]=4 1160 B12R1.1 CCCNCc1ccc(O)cc1 Amb2445168 [0,1,0,1,0,0|2,0,0]=4 1161 B12R1.1 CCCNCc1ccc(O)cc1 Amb6264703 [0,1,0,1,0,0|2,0,0]=4 1162 B12R1.1 CCCSCc1ccc(N)cc1 Amb6680628 [0,1,0,1,0,0|2,0,0]=4 1163 B12R1.1 CCNCCc1ccc(Br)cc1 Amb9214727 [0,1,0,1,0,0|2,0,0]=4 1164 B12R1.1 CCNCCc1ccc(C)cc1 Amb8853683 [0,1,0,1,0,0|2,0,0]=4 1165 B12R1.1 CCNCCc1ccc(Cl)cc1 Amb5785546 [0,1,0,1,0,0|2,0,0]=4 1166 B12R1.1 CCNCCc1ccc(F)cc1 Amb5785549 [0,1,0,1,0,0|2,0,0]=4 1167 B12R1.1 CCNCCc1ccc(O)cc1 Amb15694900 [0,1,0,1,0,0|2,0,0]=4 1168 B12R1.1 CNCCCc1ccc(Br)cc1 Amb17104523 [0,1,0,1,0,0|2,0,0]=4 1169 B12R1.1 CNCCCc1ccc(C)cc1 Amb17104501 [0,1,0,1,0,0|2,0,0]=4 1170 B12R1.1 CNCCCc1ccc(Cl)cc1 Amb17104509 [0,1,0,1,0,0|2,0,0]=4 1171 B12R1.1 CNCCCc1ccc(F)cc1 Amb17104503 [0,1,0,1,0,0|2,0,0]=4 1172 B12R1.1 Cc1ccc(CCCCBr)cc1 Amb34914027 [0,1,0,1,0,0|2,0,0]=4 1173 B12R1.1 Cc1ccc(CCCCCl)cc1 Amb17139047 [0,1,0,1,0,0|2,0,0]=4 1174 B12R1.1 Cc1ccc(CCCCI)cc1 Amb34914017 [0,1,0,1,0,0|2,0,0]=4 1175 B12R1.1 Cc1ccc(CCCCN)cc1 Amb5735494 [0,1,0,1,0,0|2,0,0]=4 1176 B12R1.1 Cc1ccc(CCCCN)nc1 Amb33172517 [0,1,0,1,0,0|2,0,0]=4 1177 B12R1.1 Cc1ccc(CCCCO)cc1 Amb16183285 [0,1,0,1,0,0|2,0,0]=4 1178 B12R1.1 Cc1ccc(CCCCS)cc1 Amb17400847 [0,1,0,1,0,0|2,0,0]=4 1179 B12R1.1 ClCCCCc1ccc(Br)cc1 Amb17160233 [0,1,0,1,0,0|2,0,0]=4 1180 B12R1.1 ClCCCCc1ccc(Cl)cc1 Amb17139904 [0,1,0,1,0,0|2,0,0]=4 1181 B12R1.1 Clc1ccc(CCCCBr)cc1 Amb32665821 [0,1,0,1,0,0|2,0,0]=4 1182 B12R1.1 Clc1ccc(CCCCI)cc1 Amb34914018 [0,1,0,1,0,0|2,0,0]=4 1183 B12R1.1 Fc1ccc(CCCCBr)cc1 Amb20671699 [0,1,0,1,0,0|2,0,0]=4 1184 B12R1.1 Fc1ccc(CCCCCl)cc1 Amb17139159 [0,1,0,1,0,0|2,0,0]=4 1185 B12R1.1 Fc1ccc(CCCCI)cc1 Amb34914020 [0,1,0,1,0,0|2,0,0]=4 1186 B12R1.1 Fc1ccc(CCCCS)cc1 Amb17401040 [0,1,0,1,0,0|2,0,0]=4 1187 B12R1.1 NCCCCc1ccc(Br)cc1 Amb17195656 [0,1,0,1,0,0|2,0,0]=4 1188 B12R1.1 NCCCCc1ccc(Br)cn1 Amb33242740 [0,1,0,1,0,0|2,0,0]=4 1189 B12R1.1 NCCCCc1ccc(Cl)cc1 Amb18015291 [0,1,0,1,0,0|2,0,0]=4 1190 B12R1.1 NCCCCc1ccc(Cl)cc1 Amb5735503 [0,1,0,1,0,0|2,0,0]=4 1191 B12R1.1 NCCCCc1ccc(Cl)cn1 Amb33221631 [0,1,0,1,0,0|2,0,0]=4 1192 B12R1.1 NCCCCc1ccc(F)cc1 Amb5735496 [0,1,0,1,0,0|2,0,0]=4 1193 B12R1.1 NCCCCc1ccc(F)cn1 Amb33315558 [0,1,0,1,0,0|2,0,0]=4 1194 B12R1.1 NCCCCc1ccc(I)cc1 Amb34912661 [0,1,0,1,0,0|2,0,0]=4 1195 B12R1.1 NCCCCc1ccc(O)cc1 Amb18828233 [0,1,0,1,0,0|2,0,0]=4 1196 B12R1.1 NCCCCc1ccc(O)cc1 Amb24117946 [0,1,0,1,0,0|2,0,0]=4 1197 B12R1.1 Nc1ccc(CCCCO)cc1 Amb18828232 [0,1,0,1,0,0|2,0,0]=4 1198 B12R1.1 OCCCCc1ccc(Br)cc1 Amb17089159 [0,1,0,1,0,0|2,0,0]=4 1199 B12R1.1 OCCCCc1ccc(Cl)cc1 Amb17089158 [0,1,0,1,0,0|2,0,0]=4 1200 B12R1.1 OCCCCc1ccc(F)cc1 Amb17089157 [0,1,0,1,0,0|2,0,0]=4 1201 B12R1.1 OCCCCc1ccc(O)cc1 Amb8439668 [0,1,0,1,0,0|2,0,0]=4 1202 B12R1.1 SCCCCc1ccc(Br)cc1 Amb17411242 [0,1,0,1,0,0|2,0,0]=4 1203 B12R1.1 SCCCCc1ccc(Cl)cc1 Amb17402392 [0,1,0,1,0,0|2,0,0]=4 1204 B12R1.7 CCCCCCc1cc(Br)cs1 Amb24079075 [0,1,0,1,0,0|0,1,1]=4 1205 B12R1.7 CCCCCCc1ccc(Br)s1 Amb22235381 [0,1,0,1,0,0|0,1,1]=4 1206 B12R1.25 CC1=CC=CN(CCCN)C1=O Amb18535491 [0,1,0,1,0,0|2,0,0]=4 1207 B12R1.25 CC1=CC=CN(CCCO)C1=O Amb18041290 [0,1,0,1,0,0|2,0,0]=4 1208 B12R1.25 CCCCN1C=CC=C(C)C1=O Amb18405639 [0,1,0,1,0,0|1,0,0]=3 1209 B12R1.25 CCCCN1C=CC=C(N)C1=O Amb18986286 [0,1,0,1,0,0|1,0,0]=3 1210 B12R1.25 CCCCN1C=CC=C(O)C1=O Amb27202010 [0,1,0,1,0,0|1,0,0]=3 1211 B12R1.25 CCCCN1C=CN=C(C)C1=O Amb27406276 [0,1,0,1,0,0|2,0,0]=4 1212 B12R1.25 CCCCN1N=CC=C(N)C1=O Amb26348892 [0,1,0,1,0,0|2,0,0]=4 1213 B12R1.25 CCCCc1cccc(F)c1F Amb27475766 [0,1,0,1,0,0|1,0,1]=4 1214 B12R1.25 CCCCc1cccc(N)c1F Amb29869565 [0,1,0,1,0,0|1,0,1]=4 1215 B12R1.25 CCOCN1C=CC=C(Br)C1=O Amb28240050 [0,1,0,1,0,0|2,0,0]=4 1216 B12R1.25 CCOCN1C=CC=C(N)C1=O Amb26866519 [0,1,0,1,0,0|2,0,0]=4 1217 B12R1.25 CNCCN1C=CC=C(Br)C1=O Amb28194989 [0,1,0,1,0,0|2,0,0]=4 1218 B12R1.25 CNCCN1C=CC=C(C)C1=O Amb27833153 [0,1,0,1,0,0|2,0,0]=4 1219 B12R1.25 COCCN1C=CC=C(Br)C1=O Amb25036263 [0,1,0,1,0,0|2,0,0]=4 1220 B12R1.25 COCCN1C=CC=C(N)C1=O Amb18295567 [0,1,0,1,0,0|2,0,0]=4 1221 B12R1.25 CSCCN1C=CC=C(C)C1=O Amb27252901 [0,1,0,1,0,0|2,0,0]=4 1222 B12R1.25 CSCCN1C=CC=C(N)C1=O Amb26856519 [0,1,0,1,0,0|2,0,0]=4 1223 B12R1.25 NC1=CC=CN(CCCF)C1=O Amb26506694 [0,1,0,1,0,0|2,0,0]=4 1224 B12R1.25 NC1=CC=CN(CCCO)C1=O Amb18295572 [0,1,0,1,0,0|2,0,0]=4 1225 B12R1.25 NCCCN1C=CC=C(Br)C1=O Amb18040597 [0,1,0,1,0,0|2,0,0]=4 1226 B12R1.25 O=C1C(Br)=CC=CN1CCCO Amb18543189 [0,1,0,1,0,0|2,0,0]=4 1227 B12R1.25 O=C1C(I)=CC=CN1CCCF Amb28240003 [0,1,0,1,0,0|2,0,0]=4 1228 B12R1.27 CC(CBr)CCc1ccccc1 Amb32954572 [0,1,0,1,0,0|2,0,0]=4 1229 B12R1.27 CC(CN)CCc1ccccc1 Amb4358596 [0,1,0,1,0,0|2,0,0]=4 1230 B12R1.27 CC(CO)CCc1ccccc1 Amb32413001 [0,1,0,1,0,0|2,0,0]=4 1231 B12R1.27 CCC(=O)CCc1ccccc1 Amb3940674 [0,1,0,1,0,0|1,0,1]=4 1232 B12R1.27 CCC(C)NCc1ccccc1 Amb5729099 [0,1,0,1,0,0|2,0,0]=4 1233 B12R1.27 CCC(C)NCc1ccccc1 Amb837601 [0,1,0,1,0,0|2,0,0]=4 1234 B12R1.27 CCC(C)NCc1ccccn1 Amb20673664 [0,1,0,1,0,0|2,0,0]=4 1235 B12R1.27 CCC(C)NCc1ccccn1 Amb6868322 [0,1,0,1,0,0|2,0,0]=4 1236 B12R1.27 CCC(C)NCc1ccccn1 Amb9749024 [0,1,0,1,0,0|2,0,0]=4 1237 B12R1.27 CCC(N)CCc1ccccc1 Amb9031865 [0,1,0,1,0,0|1,0,0]=3 1238 B12R1.27 CCC(N)CNc1ccccc1 Amb19009674 [0,1,0,1,0,0|2,0,0]=4 1239 B12R1.27 CCC(N)COc1ccccc1 Amb19029691 [0,1,0,1,0,0|2,0,0]=4 1240 B12R1.27 CCC(N)COc1ccccn1 Amb22522748 [0,1,0,1,0,0|2,0,0]=4 1241 B12R1.27 CCC(N)CSc1ccccc1 Amb17485970 [0,1,0,1,0,0|2,0,0]=4 1242 B12R1.27 CCC(N)CSc1ccccn1 Amb22642703 [0,1,0,1,0,0|2,0,0]=4 1243 B12R1.27 CCC(N)CSc1ccccn1 Amb32662279 [0,1,0,1,0,0|2,0,0]=4 1244 B12R1.27 CCC(O)CCc1ccccc1 Amb17138574 [0,1,0,1,0,0|1,0,0]=3 1245 B12R1.27 CCC(O)CCc1cccnc1 Amb30584931 [0,1,0,1,0,0|2,0,0]=4 1246 B12R1.27 CCC(O)CNc1ccccc1 Amb13952005 [0,1,0,1,0,0|2,0,0]=4 1247 B12R1.27 CC[C@@H](C)NCc1ccccc1 Amb28283155 [0,1,0,1,0,0|2,0,0]=4 1248 B12R1.27 CC[C@@H](O)CNc1ccccc1 Amb27793988 [0,1,0,1,0,0|2,0,0]=4 1249 B12R1.27 CC[C@H](N)CNc1ccccc1 Amb27965358 [0,1,0,1,0,0|2,0,0]=4 1250 B12R1.27 CC[C@H](O)CNc1ccccc1 Amb28071833 [0,1,0,1,0,0|2,0,0]=4 1251 B12R1.27 CNC(C)CCc1ccccc1 Amb1138722 [0,1,0,1,0,0|2,0,0]=4 1252 B12R1.27 C\C(C=O)=C/CC1CCCCC1 Amb28388685 [0,1,0,1,0,0|0,0,2]=4 1253 B12R1.27 NC(CO)CCc1ccccc1 Amb18315307 [0,1,0,1,0,0|2,0,0]=4 1254 B12R1.27 NC(CO)CCc1ccccc1 Amb32753518 [0,1,0,1,0,0|2,0,0]=4 1255 B12R1.27 NC(CO)CCc1ccccn1 Amb18563729 [0,1,0,1,0,0|2,0,0]=4 1256 B12R1.27 NCC(F)CCc1ccccc1 Amb32953336 [0,1,0,1,0,0|2,0,0]=4 1257 B12R1.27 NCC(O)CCc1ccccc1 Amb18315280 [0,1,0,1,0,0|2,0,0]=4 1258 B12R1.27 NC[C@@H](O)CCc1ccccc1 Amb32952383 [0,1,0,1,0,0|2,0,0]=4 1259 B12R1.27 NC[C@H](O)CCc1ccccc1 Amb33081741 [0,1,0,1,0,0|2,0,0]=4 1260 B12R1.27 N[C@@H](CO)CCc1ccccc1 Amb32683468 [0,1,0,1,0,0|2,0,0]=4 1261 B12R1.27 N[C@@H](CO)CCc1ccccc1 Amb6308799 [0,1,0,1,0,0|2,0,0]=4 1262 B12R1.27 N[C@H](CO)CCc1ccccc1 Amb32683465 [0,1,0,1,0,0|2,0,0]=4 1263 B12R1.27 N[C@H](CO)CCc1ccccc1 Amb32683466 [0,1,0,1,0,0|2,0,0]=4 1264 B12R1.27 O=C\C(Br)=C\OC1CCCCC1 Amb26617550 [0,1,0,1,0,0|1,0,1]=4 1265 B12R1.27 OC(CBr)CCc1ccccc1 Amb32951853 [0,1,0,1,0,0|2,0,0]=4 1266 B12R1.27 OC(CCl)CCc1ccccc1 Amb32954413 [0,1,0,1,0,0|2,0,0]=4 1267 B12R1.27 OC(CF)CCc1ccccc1 Amb32954420 [0,1,0,1,0,0|2,0,0]=4 1268 B12R1.27 OCC(O)CCc1ccccc1 Amb17508778 [0,1,0,1,0,0|2,0,0]=4 1269 B12R1.77 CCC(C)c1ncccc1C=O Amb18829229 [0,1,0,1,0,0|1,0,1]=4 1270 B12R1.82 CCC(C)Cn1cccc1C=O Amb18798444 [0,1,0,1,0,0|1,0,0]=3 1271 B12R1.82 O=Cc1cccn1CC(O)CF Amb33218172 [0,1,0,1,0,0|2,0,0]=4 1272 B12R1.371 CC(CCl)CN1C=CC=CC1=O Amb27227483 [0,1,0,1,0,0|2,0,0]=4 1273 B12R1.371 CC(CO)CN1C=CC=CC1=O Amb27178441 [0,1,0,1,0,0|2,0,0]=4 1274 B12R1.371 CCC(C)CN1C=CN=CC1=O Amb27168901 [0,1,0,1,0,0|2,0,0]=4 1275 B12R1.371 CCC(C)CN1N=CC=CC1=O Amb28184930 [0,1,0,1,0,0|2,0,0]=4 1276 B12R1.371 CCC(C)Cc1ccccc1O Amb27177732 [0,1,0,1,0,0|0,0,2]=4 1277 B12R1.371 CCC(Cl)Cc1ccccc1C Amb17477425 [0,1,0,1,0,0|1,0,1]=4 1278 B12R1.371 CCC(Cl)Cc1ccccc1F Amb19046368 [0,1,0,1,0,0|1,0,1]=4 1279 B12R1.371 CCC(N)CN1C=CC=CC1=O Amb18040292 [0,1,0,1,0,0|1,0,0]=3 1280 B12R1.371 CCC(N)CN1C=CC=NC1=O Amb18042036 [0,1,0,1,0,0|2,0,0]=4 1281 B12R1.371 CCC(N)Cc1ccccc1Br Amb20627508 [0,1,0,1,0,0|1,0,1]=4 1282 B12R1.371 CCC(N)Cc1ccccc1Br Amb9428862 [0,1,0,1,0,0|1,0,1]=4 1283 B12R1.371 CCC(N)Cc1ccccc1C Amb9428910 [0,1,0,1,0,0|1,0,1]=4 1284 B12R1.371 CCC(N)Cc1ccccc1Cl Amb9428938 [0,1,0,1,0,0|1,0,1]=4 1285 B12R1.371 CCC(N)Cc1ccccc1F Amb9428867 [0,1,0,1,0,0|1,0,1]=4 1286 B12R1.371 CCC(O)CN1N=CC=CC1=O Amb18793044 [0,1,0,1,0,0|2,0,0]=4 1287 B12R1.371 CCC(O)Cc1ccccc1Br Amb24465632 [0,1,0,1,0,0|1,0,1]=4 1288 B12R1.371 CCC(O)Cc1ccccc1C Amb17138581 [0,1,0,1,0,0|1,0,1]=4 1289 B12R1.371 CCC(O)Cc1ccccc1Cl Amb17139101 [0,1,0,1,0,0|1,0,1]=4 1290 B12R1.371 CCC(O)Cc1ccccc1F Amb17138635 [0,1,0,1,0,0|1,0,1]=4 1291 B12R1.371 CCC(O)Cc1ccccc1N Amb25335274 [0,1,0,1,0,0|1,0,1]=4 1292 B12R1.371 CC[C@@H](C)Cc1ccccc1O Amb28243798 [0,1,0,1,0,0|0,0,2]=4 1293 B12R1.371 CC[C@@H](N)Cc1ccccc1Br Amb27459365 [0,1,0,1,0,0|1,0,1]=4 1294 B12R1.371 CC[C@@H](N)Cc1ccccc1Cl Amb27668323 [0,1,0,1,0,0|1,0,1]=4 1295 B12R1.371 COC(C)CN1C=CC=CC1=O Amb28072405 [0,1,0,1,0,0|2,0,0]=4 1296 B12R1.371 NCC(O)CN1C=CC=CC1=O Amb28991151 [0,1,0,1,0,0|2,0,0]=4 1297 B12R1.382 CCCCc1cc(C=O)ccn1 Amb33068351 [0,1,0,1,0,0|1,0,1]=4 1298 B12R1.382 CCCCc1cncc(C=O)c1 Amb32751640 [0,1,0,1,0,0|1,0,1]=4 1299 B12R1.382 CCCCc1nccc(C=O)n1 Amb32454945 [0,1,0,1,0,0|1,0,1]=4 1300 B12R1.382 CCCOc1cccc(C=O)c1 Amb2589523 [0,1,0,1,0,0|1,0,1]=4 1301 B12R1.455 CCCCOc1ccc(C=O)o1 Amb33483266 [0,1,0,1,0,0|1,0,0]=3 1302 B12R1.455 CCCOCc1ccc(C=O)o1 Amb2795941 [0,1,0,1,0,0|1,0,0]=3 1303 B12R1.455 COCCOc1ccc(C=O)o1 Amb33071705 [0,1,0,1,0,0|2,0,0]=4 1304 B12R1.1442 CCCC1=CC=CC=C(O)C1=O Amb27867217 [0,1,0,1,0,0|0,0,2]=4 1305 B12R1.1659 O=CC(O)C1=CCCCCCC1 Amb28319768 [0,1,0,1,0,0|0,0,2]=4 1306 B12R1.30 CC(CCCBr)c1ccccc1 Amb33082370 [0,1,0,1,0,0|2,0,0]=4 1307 B12R1.30 CC(CCCN)c1ccccc1 Amb18563593 [0,1,0,1,0,0|2,0,0]=4 1308 B12R1.30 CC(CCCO)c1ccccc1 Amb33213887 [0,1,0,1,0,0|2,0,0]=4 1309 B12R1.30 CC(CCCS)c1ccccc1 Amb33082130 [0,1,0,1,0,0|2,0,0]=4 1310 B12R1.30 CC(\C=C\C=O)=C1CCCCC1 Amb27614515 [0,1,0,1,0,0|0,0,0]=2 1311 B12R1.30 CCCCC(=O)c1ccccc1 Amb4605998 [0,1,0,1,0,0|1,0,1]=4 1312 B12R1.30 CCCCC(=O)c1ccccn1 Amb6301472 [0,1,0,1,0,0|1,0,1]=4 1313 B12R1.30 CCCCC(N)c1ccccc1 Amb9717704 [0,1,0,1,0,0|1,0,0]=3 1314 B12R1.30 CCCCC(N)c1ccccn1 Amb19026090 [0,1,0,1,0,0|1,0,0]=3 1315 B12R1.30 CCCCC(N)c1ccccn1 Amb35745637 [0,1,0,1,0,0|1,0,0]=3 1316 B12R1.30 CCCCC(N)c1cccnc1 Amb10607965 [0,1,0,1,0,0|2,0,0]=4 1317 B12R1.30 CCCCC(N)c1ccncc1 Amb10573553 [0,1,0,1,0,0|2,0,0]=4 1318 B12R1.30 CCCCC(N)c1ncccn1 Amb18312937 [0,1,0,1,0,0|2,0,0]=4 1319 B12R1.30 CCCCC(O)c1ccccc1 Amb4034459 [0,1,0,1,0,0|1,0,0]=3 1320 B12R1.30 CCCCC(S)c1ccccc1 Amb32788793 [0,1,0,1,0,0|1,0,0]=3 1321 B12R1.30 CCCCN(N)c1ccccc1 Amb17226670 [0,1,0,1,0,0|2,0,0]=4 1322 B12R1.30 CCCC[C@@H](N)c1ccccc1 Amb28555742 [0,1,0,1,0,0|1,0,0]=3 1323 B12R1.30 CCCC[C@@H](N)c1ccccc1 Amb33276169 [0,1,0,1,0,0|1,0,0]=3 1324 B12R1.30 CCCC[C@@H](N)c1ncccn1 Amb32716273 [0,1,0,1,0,0|2,0,0]=4 1325 B12R1.30 CCCC[C@@H](O)c1ccccc1 Amb30627576 [0,1,0,1,0,0|1,0,0]=3 1326 B12R1.30 CCCC[C@H](N)c1ccccc1 Amb28555741 [0,1,0,1,0,0|1,0,0]=3 1327 B12R1.30 CCCC[C@H](N)c1ccccc1 Amb33276167 [0,1,0,1,0,0|1,0,0]=3 1328 B12R1.30 CCCC[C@H](N)c1ncccn1 Amb32716269 [0,1,0,1,0,0|2,0,0]=4 1329 B12R1.30 CCCC[C@H](O)c1ccccc1 Amb28555740 [0,1,0,1,0,0|1,0,0]=3 1330 B12R1.30 CCCNC(C)c1ccccc1 Amb6335367 [0,1,0,1,0,0|2,0,0]=4 1331 B12R1.30 CCCNC(C)c1ccccc1 Amb9726952 [0,1,0,1,0,0|2,0,0]=4 1332 B12R1.30 CCCNC(C)c1ccccn1 Amb6267689 [0,1,0,1,0,0|2,0,0]=4 1333 B12R1.30 CCNCC(C)c1ccccc1 Amb6729198 [0,1,0,1,0,0|2,0,0]=4 1334 B12R1.30 CCNCC(N)c1ccccc1 Amb19009737 [0,1,0,1,0,0|2,0,0]=4 1335 B12R1.30 CCNCC(O)c1ccccc1 Amb9247502 [0,1,0,1,0,0|2,0,0]=4 1336 B12R1.30 CCNCC(O)c1ccccn1 Amb17138608 [0,1,0,1,0,0|2,0,0]=4 1337 B12R1.30 CCOCC(N)c1ccccc1 Amb1125200 [0,1,0,1,0,0|2,0,0]=4 1338 B12R1.30 CCOC[C@@H](N)c1ccccc1 Amb17061646 [0,1,0,1,0,0|2,0,0]=4 1339 B12R1.30 CCOC[C@H](N)c1ccccc1 Amb35747248 [0,1,0,1,0,0|2,0,0]=4 1340 B12R1.30 CCOC[C@H](N)c1ccccc1 Amb35747836 [0,1,0,1,0,0|2,0,0]=4 1341 B12R1.30 CNCCC(C)c1ccccc1 Amb5739286 [0,1,0,1,0,0|2,0,0]=4 1342 B12R1.30 CNCCC(Cl)c1ccccc1 Amb8629327 [0,1,0,1,0,0|2,0,0]=4 1343 B12R1.30 CNCCC(O)c1ccccc1 Amb3939363 [0,1,0,1,0,0|2,0,0]=4 1344 B12R1.30 COCCC(Cl)c1ccccc1 Amb32686938 [0,1,0,1,0,0|2,0,0]=4 1345 B12R1.30 COCCC(N)c1ccccc1 Amb34912740 [0,1,0,1,0,0|2,0,0]=4 1346 B12R1.30 COCCC(O)c1ccccc1 Amb18788453 [0,1,0,1,0,0|2,0,0]=4 1347 B12R1.30 COCC[C@@H](N)c1ccccc1 Amb33620965 [0,1,0,1,0,0|2,0,0]=4 1348 B12R1.30 COCC[C@@H](N)c1ccccc1 Amb33738637 [0,1,0,1,0,0|2,0,0]=4 1349 B12R1.30 C[NH2+]CCC(O)c1ccccc1 Amb33513043 [0,1,0,1,0,0|2,0,0]=4 1350 B12R1.30 NC(CCCO)c1ccccc1 Amb9783958 [0,1,0,1,0,0|2,0,0]=4 1351 B12R1.30 NCCCC(N)c1ccccn1 Amb10070102 [0,1,0,1,0,0|2,0,0]=4 1352 B12R1.30 NCCCC(O)c1ccccc1 Amb17079154 [0,1,0,1,0,0|2,0,0]=4 1353 B12R1.30 NCCCC(O)c1ccccc1 Amb21984517 [0,1,0,1,0,0|2,0,0]=4 1354 B12R1.30 NCCCC(O)c1ccccn1 Amb18563728 [0,1,0,1,0,0|2,0,0]=4 1355 B12R1.30 N[C@@H](CCCO)c1ccccc1 Amb23440411 [0,1,0,1,0,0|2,0,0]=4 1356 B12R1.30 O=C\C=C\C(O)C1CCCCC1 Amb18647046 [0,1,0,1,0,0|0,0,2]=4 1357 B12R1.30 OC(CCCCl)c1ccccc1 Amb17194564 [0,1,0,1,0,0|2,0,0]=4 1358 B12R1.30 OCCCC(O)c1ccccc1 Amb17334675 [0,1,0,1,0,0|2,0,0]=4 1359 B12R1.374 CC1=CN(CCCN)C(=O)C=C1 Amb18030530 [0,1,0,1,0,0|2,0,0]=4 1360 B12R1.374 CC1=CN(CCCO)C(=O)C=C1 Amb18041286 [0,1,0,1,0,0|2,0,0]=4 1361 B12R1.374 CCCCN1C=C(Br)C=CC1=O Amb18404496 [0,1,0,1,0,0|1,0,0]=3 1362 B12R1.374 CCCCN1C=C(C)C=CC1=O Amb18404884 [0,1,0,1,0,0|1,0,0]=3 1363 B12R1.374 CCCCN1C=C(N)C=CC1=O Amb18030068 [0,1,0,1,0,0|1,0,0]=3 1364 B12R1.374 CCCC[C@@H]1OC(O)C=CC1=O Amb27861413 [0,1,0,1,0,0|1,0,1]=4 1365 B12R1.374 CCCC[C@@H]1O[C@H](O)C=CC1=O Amb27427645 [0,1,0,1,0,0|1,0,1]=4 1366 B12R1.374 CCCC[C@H]1OC(O)C=CC1=O Amb27175988 [0,1,0,1,0,0|1,0,1]=4 1367 B12R1.374 CCCCc1cc(Br)ccc1N Amb27812883 [0,1,0,1,0,0|1,0,1]=4 1368 B12R1.374 CCCCc1cc(C)ccc1O Amb27973016 [0,1,0,1,0,0|0,0,2]=4 1369 B12R1.374 CCCCc1cc(N)ccc1C Amb26961999 [0,1,0,1,0,0|1,0,1]=4 1370 B12R1.374 CCCCc1cc(N)ccc1Cl Amb25843846 [0,1,0,1,0,0|1,0,1]=4 1371 B12R1.374 CCCCc1cc(O)ccc1N Amb27657773 [0,1,0,1,0,0|1,0,1]=4 1372 B12R1.374 CCOCN1C=C(N)C=CC1=O Amb24485522 [0,1,0,1,0,0|2,0,0]=4 1373 B12R1.374 CNCCN1C=C(C)C=CC1=O Amb27623755 [0,1,0,1,0,0|2,0,0]=4 1374 B12R1.374 COCCN1C=C(Br)C=CC1=O Amb18404572 [0,1,0,1,0,0|2,0,0]=4 1375 B12R1.374 COCCN1C=C(Cl)C=CC1=O Amb18405168 [0,1,0,1,0,0|2,0,0]=4 1376 B12R1.374 COCCN1C=C(N)C=CC1=O Amb18288793 [0,1,0,1,0,0|2,0,0]=4 1377 B12R1.374 COCCN1C=C(N)C=CC1=O Amb19514339 [0,1,0,1,0,0|2,0,0]=4 1378 B12R1.374 CSCCN1C=C(N)C=CC1=O Amb18290078 [0,1,0,1,0,0|2,0,0]=4 1379 B12R1.374 NC1=CN(CCCF)C(=O)C=C1 Amb25342827 [0,1,0,1,0,0|2,0,0]=4 1380 B12R1.374 NC1=CN(CCCO)C(=O)C=C1 Amb18535272 [0,1,0,1,0,0|2,0,0]=4 1381 B12R1.374 NCCCN1C=C(Br)C=CC1=O Amb18535492 [0,1,0,1,0,0|2,0,0]=4 1382 B12R1.374 NCCCN1C=C(Br)C=CC1=O Amb19514408 [0,1,0,1,0,0|2,0,0]=4 1383 B12R1.374 NCCCN1C=C(Cl)C=CC1=O Amb17992862 [0,1,0,1,0,0|2,0,0]=4 1384 B12R1.374 NCCCN1C=C(F)C=CC1=O Amb18040598 [0,1,0,1,0,0|2,0,0]=4 1385 B12R1.374 O=C1C=CC(=O)C(CCCO)=C1 Amb27177915 [0,1,0,1,0,0|1,0,1]=4 1386 B12R1.374 O=C1C=CC(Br)=CN1CCCF Amb28385370 [0,1,0,1,0,0|2,0,0]=4 1387 B12R1.374 O=C1C=CC(F)=CN1CCCCl Amb27858640 [0,1,0,1,0,0|2,0,0]=4 1388 B12R1.374 O=C1C=CC(F)=CN1CCCF Amb28047926 [0,1,0,1,0,0|2,0,0]=4 1389 B12R1.374 O=C1C=CC(F)=CN1CCCS Amb28196884 [0,1,0,1,0,0|2,0,0]=4 1390 B12R1.374 O=C1C=CC(I)=CN1CCCF Amb27770630 [0,1,0,1,0,0|2,0,0]=4 1391 B12R1.374 O=c1ccc(Br)cn1CCCCl Amb6242388 [0,1,0,1,0,0|2,0,0]=4 1392 B12R1.460 CCCCC(N)c1sccc1C Amb19057339 [0,1,0,1,0,0|2,0,0]=4 1393 B12R1.567 CCCCCC1=C(C)CCC1=O Amb4494843 [0,1,0,1,0,0|0,0,2]=4 1394 B12R1.567 NCCCCN1C(=O)C=CC1=O Amb30588703 [0,1,0,1,0,0|2,0,0]=4 1395 B12R1.567 NCCCCN1C(=O)C=CC1=O Amb31206770 [0,1,0,1,0,0|2,0,0]=4 1396 B12R1.1007 O=C1CC=CCC(Cl)CCCC1 Amb27875110 [0,1,0,1,0,0|0,0,2]=4 1397 B12R1.1778 CC1(CCCO)C=CC=CC1=O Amb27176175 [0,1,0,1,0,0|1,0,0]=3 1398 B12R1.1778 CCCCC1(N)CC=CC=C1N Amb28134120 [0,1,0,1,0,0|1,0,1]=4 1399 B12R1.35 CCCCCC(=O)c1cccs1 Amb8850833 [0,1,0,1,0,0|0,1,0]=3 1400 B12R1.35 CCCCCC(=O)c1ncco1 Amb6301568 [0,1,0,1,0,0|1,0,1]=4 1401 B12R1.35 CCCCCC(N)c1ccco1 Amb18798871 [0,1,0,1,0,0|0,0,2]=4 1402 B12R1.35 CCCCCC(N)c1ccco1 Amb35745646 [0,1,0,1,0,0|0,0,2]=4 1403 B12R1.35 CCCCCC(N)c1cccs1 Amb35746820 [0,1,0,1,0,0|0,1,1]=4 1404 B12R1.35 CCCCCC(N)c1cccs1 Amb7786626 [0,1,0,1,0,0|0,1,1]=4 1405 B12R1.35 O=C(CCCCCl)c1cccs1 Amb1085951 [0,1,0,1,0,0|1,1,0]=4 1406 B12R1.803 CCCCn1c(C=O)cnc1Cl Amb32670229 [0,1,0,1,0,0|2,0,0]=4 1407 B12R1.1631 CC1=CC=CC(=O)N1CCCBr Amb27975096 [0,1,0,1,0,0|2,0,0]=4 1408 B12R1.1631 CC1=CC=CC(=O)N1CCCN Amb18535488 [0,1,0,1,0,0|2,0,0]=4 1409 B12R1.1631 CC1=CC=CC(=O)N1CCCN Amb22587371 [0,1,0,1,0,0|2,0,0]=4 1410 B12R1.1631 CC1=CC=CC(=O)N1CCCN Amb32411909 [0,1,0,1,0,0|2,0,0]=4 1411 B12R1.1631 CCCCC1C(=O)C=CCC1C Amb27177503 [0,1,0,1,0,0|0,0,2]=4 1412 B12R1.1631 CCCCC1C(=O)C=CC[C@@H]1C Amb28322033 [0,1,0,1,0,0|0,0,2]=4 1413 B12R1.1631 CCCCC1C(=O)C=CC[C@H]1C Amb27175976 [0,1,0,1,0,0|0,0,2]=4 1414 B12R1.1631 CCCCN1C(=O)C=CC=C1Br Amb28187881 [0,1,0,1,0,0|1,0,0]=3 1415 B12R1.1631 CCCCN1C(=O)C=CC=C1Cl Amb27178824 [0,1,0,1,0,0|1,0,0]=3 1416 B12R1.1631 CCCCN1C(=O)C=CCC1=O Amb28078718 [0,1,0,1,0,0|1,0,1]=4 1417 B12R1.1631 CCCCN1C(=O)C=NC=C1C Amb28062174 [0,1,0,1,0,0|2,0,0]=4 1418 B12R1.1631 CCCCc1c(C)cccc1N Amb27812884 [0,1,0,1,0,0|1,0,1]=4 1419 B12R1.1631 CCCCc1c(N)cccc1Br Amb29889508 [0,1,0,1,0,0|1,0,1]=4 1420 B12R1.1631 CCCCc1c(O)cccc1O Amb27211987 [0,1,0,1,0,0|0,0,2]=4 1421 B12R1.1631 CCSCN1C(=O)C=CC=C1Br Amb28382995 [0,1,0,1,0,0|2,0,0]=4 1422 B12R1.1631 CSCCN1C(=O)C=CC=C1Br Amb27256092 [0,1,0,1,0,0|2,0,0]=4 1423 B12R1.1631 NCCCN1C(=O)C=CC=C1Br Amb18040601 [0,1,0,1,0,0|2,0,0]=4 1424 B12R1.75 CC(C)Cc1ccccc1C=O Amb25137753 [0,1,0,1,0,0|0,0,2]=4 1425 B12R1.75 CC(F)Cc1ccccc1C=O Amb27636154 [0,1,0,1,0,0|0,0,2]=4 1426 B12R1.75 CCC1CCCC\C1=C\C(=O)O Amb33468654 [0,1,0,1,0,0|0,0,2]=4 1427 B12R1.81 CC(C)CCn1cccc1C=O Amb9336946 [0,1,0,1,0,0|1,0,0]=3 1428 B12R1.81 CC(C)CCn1ccnc1C=O Amb9765592 [0,1,0,1,0,0|2,0,0]=4 1429 B12R1.81 CN(C)CCn1cccc1C=O Amb9336943 [0,1,0,1,0,0|2,0,0]=4 1430 B12R1.125 C=C(C)CCN1C=CC=CC1=O Amb28369040 [0,1,0,1,0,0|1,0,1]=4 1431 B12R1.125 CC(=O)C#CC1=CCCCC1C Amb27861215 [0,1,0,1,0,0|0,0,2]=4 1432 B12R1.125 CC(=O)C\C=C1/C=CCCC1C Amb27861489 [0,1,0,1,0,0|0,0,2]=4 1433 B12R1.125 CC(Br)CCc1ccccc1Cl Amb27425314 [0,1,0,1,0,0|1,0,1]=4 1434 B12R1.125 CC(C)CCN1C=CC=NC1=O Amb28241737 [0,1,0,1,0,0|2,0,0]=4 1435 B12R1.125 CC(C)CCN1N=CC=CC1=O Amb28127743 [0,1,0,1,0,0|2,0,0]=4 1436 B12R1.125 CC(C)CC[n+]1ccccc1Br Amb27399385 [0,1,0,1,0,0|2,0,0]=4 1437 B12R1.125 CC(C)CC[n+]1ccccc1Cl Amb28204778 [0,1,0,1,0,0|2,0,0]=4 1438 B12R1.125 CC(C)CCc1ccccc1I Amb28244344 [0,1,0,1,0,0|1,0,1]=4 1439 B12R1.125 CC(C)CCc1ccccc1N Amb13951566 [0,1,0,1,0,0|1,0,1]=4 1440 B12R1.125 CC(C)CCc1ccccc1O Amb27972959 [0,1,0,1,0,0|0,0,2]=4 1441 B12R1.125 CC(F)CCN1C=NC=CC1=O Amb27396635 [0,1,0,1,0,0|2,0,0]=4 1442 B12R1.125 CC(F)CCN1N=CC=CC1=O Amb27766199 [0,1,0,1,0,0|2,0,0]=4 1443 B12R1.125 CC(F)CCc1ccccc1O Amb27958749 [0,1,0,1,0,0|0,0,2]=4 1444 B12R1.125 CC(N)CCc1ccccc1Br Amb9031766 [0,1,0,1,0,0|1,0,1]=4 1445 B12R1.125 CC(N)CCc1ccccc1Cl Amb2721943 [0,1,0,1,0,0|1,0,1]=4 1446 B12R1.125 CC(N)CCc1ccccc1F Amb9031774 [0,1,0,1,0,0|1,0,1]=4 1447 B12R1.125 CC(N)CCc1ccccc1O Amb17507315 [0,1,0,1,0,0|0,0,2]=4 1448 B12R1.125 CC(O)CCN1C=CC=NC1=O Amb18805806 [0,1,0,1,0,0|2,0,0]=4 1449 B12R1.125 CC(O)CCN1N=CC=CC1=O Amb18793045 [0,1,0,1,0,0|2,0,0]=4 1450 B12R1.125 CC(O)CCc1ccccc1Br Amb25763352 [0,1,0,1,0,0|1,0,1]=4 1451 B12R1.125 CC(O)CCc1ccccc1Cl Amb19075162 [0,1,0,1,0,0|1,0,1]=4 1452 B12R1.125 CC(O)CCc1ccccc1F Amb18805845 [0,1,0,1,0,0|1,0,1]=4 1453 B12R1.125 CC(O)CCc1ccccc1O Amb17507249 [0,1,0,1,0,0|0,0,2]=4 1454 B12R1.125 CC1CCCCN1\C=C\C(=O)O Amb28071417 [0,1,0,1,0,0|1,0,1]=4 1455 B12R1.125 CN(C)CCN1C=CC=CC1=O Amb27972586 [0,1,0,1,0,0|2,0,0]=4 1456 B12R1.125 C[C@@H](N)CCc1ccccc1Br Amb33242308 [0,1,0,1,0,0|1,0,1]=4 1457 B12R1.125 C[C@@H](N)CCc1ccccc1Cl Amb24117939 [0,1,0,1,0,0|1,0,1]=4 1458 B12R1.125 C[C@@H](N)CCc1ccccc1Cl Amb32750188 [0,1,0,1,0,0|1,0,1]=4 1459 B12R1.125 C[C@@H](N)CCc1ccccc1F Amb27817738 [0,1,0,1,0,0|1,0,1]=4 1460 B12R1.125 C[C@@H](N)CCc1ccccc1O Amb27830642 [0,1,0,1,0,0|0,0,2]=4 1461 B12R1.125 C[C@@H](O)CCc1ccccc1Br Amb33387630 [0,1,0,1,0,0|1,0,1]=4 1462 B12R1.125 C[C@@H](O)CCc1ccccc1Cl Amb33052597 [0,1,0,1,0,0|1,0,1]=4 1463 B12R1.125 C[C@@H](O)CCc1ccccc1F Amb33361481 [0,1,0,1,0,0|1,0,1]=4 1464 B12R1.125 C[C@@H](O)CCc1ccccc1O Amb33196173 [0,1,0,1,0,0|0,0,2]=4 1465 B12R1.125 C[C@H](N)CCc1ccccc1Br Amb27812499 [0,1,0,1,0,0|1,0,1]=4 1466 B12R1.125 C[C@H](N)CCc1ccccc1Cl Amb24470862 [0,1,0,1,0,0|1,0,1]=4 1467 B12R1.125 C[C@H](N)CCc1ccccc1F Amb26946665 [0,1,0,1,0,0|1,0,1]=4 1468 B12R1.125 C[C@H](N)CCc1ccccc1N Amb28201211 [0,1,0,1,0,0|1,0,1]=4 1469 B12R1.125 C[C@H](N)CCc1ccccc1O Amb25149919 [0,1,0,1,0,0|0,0,2]=4 1470 B12R1.125 C[C@H](O)CCc1ccccc1Br Amb33387628 [0,1,0,1,0,0|1,0,1]=4 1471 B12R1.125 C[C@H](O)CCc1ccccc1Cl Amb33052594 [0,1,0,1,0,0|1,0,1]=4 1472 B12R1.125 C[C@H](O)CCc1ccccc1F Amb33361482 [0,1,0,1,0,0|1,0,1]=4 1473 B12R1.125 C[C@H](O)CCc1ccccc1O Amb33196408 [0,1,0,1,0,0|0,0,2]=4 1474 B12R1.125 Cc1ccccc1CCC(C)Br Amb27647242 [0,1,0,1,0,0|1,0,1]=4 1475 B12R1.125 Cc1ccccc1CCC(C)C Amb8394140 [0,1,0,1,0,0|1,0,1]=4 1476 B12R1.125 Cc1ccccc1CCC(C)N Amb9031759 [0,1,0,1,0,0|1,0,1]=4 1477 B12R1.125 Cc1ccccc1CCC(C)O Amb18800836 [0,1,0,1,0,0|1,0,1]=4 1478 B12R1.125 Cc1ccccc1CC[C@@H](C)N Amb33225585 [0,1,0,1,0,0|1,0,1]=4 1479 B12R1.125 Cc1ccccc1CC[C@@H](C)O Amb33360566 [0,1,0,1,0,0|1,0,1]=4 1480 B12R1.125 Cc1ccccc1CC[C@H](C)N Amb26611454 [0,1,0,1,0,0|1,0,1]=4 1481 B12R1.125 Cc1ccccc1CC[C@H](C)O Amb33360567 [0,1,0,1,0,0|1,0,1]=4 1482 B12R1.130 CC1CCCC1N\C=C\C(=O)O Amb27172585 [0,1,0,1,0,0|1,0,1]=4 1483 B12R1.130 CC1COC\C1=C/C=C/C(=O)O Amb35631883 [0,1,0,1,0,0|1,0,0]=3 1484 B12R1.130 CC1CSC\C1=C/C=C/C(=O)O Amb27461594 [0,1,0,1,0,0|1,0,0]=3 1485 B12R1.130 CC1OCC\C1=C/C=C/C(=O)O Amb27426777 [0,1,0,1,0,0|1,0,0]=3 1486 B12R1.210 CC(=O)\C=C1/CCCCCC1C Amb35734060 [0,1,0,1,0,0|0,0,2]=4 1487 B12R1.210 CC1CCCCC\C1=C/C(=O)O Amb35721698 [0,1,0,1,0,0|0,0,2]=4 1488 B12R1.252 CC(=O)CCC=C1CCCCC1 Amb2610904 [0,1,0,1,0,0|0,0,2]=4 1489 B12R1.252 CC(=O)CCCc1ccccc1 Amb4358586 [0,1,0,1,0,0|1,0,1]=4 1490 B12R1.252 CC(=O)CCCc1ccccn1 Amb1102603 [0,1,0,1,0,0|1,0,1]=4 1491 B12R1.252 CC(=O)\C=C\CC1CCCCC1 Amb32953373 [0,1,0,1,0,0|0,0,2]=4 1492 B12R1.252 CC(Br)CCCc1ccccc1 Amb32951525 [0,1,0,1,0,0|1,0,0]=3 1493 B12R1.252 CC(Br)CCSc1ccccc1 Amb20623511 [0,1,0,1,0,0|2,0,0]=4 1494 B12R1.252 CC(Br)COCc1ccccc1 Amb27481240 [0,1,0,1,0,0|2,0,0]=4 1495 B12R1.252 CC(C)=C\C=C/C1CCCCC1 Amb22546613 [0,1,0,1,0,0|1,0,1]=4 1496 B12R1.252 CC(C)CCCc1ccncc1 Amb2613010 [0,1,0,1,0,0|2,0,0]=4 1497 B12R1.252 CC(C)CCNc1ccccc1 Amb4016589 [0,1,0,1,0,0|2,0,0]=4 1498 B12R1.252 CC(C)CCOc1ccccc1 Amb23450363 [0,1,0,1,0,0|2,0,0]=4 1499 B12R1.252 CC(C)CNCc1ccccc1 Amb22586944 [0,1,0,1,0,0|2,0,0]=4 1500 B12R1.252 CC(C)CNCc1ccccc1 Amb6687359 [0,1,0,1,0,0|2,0,0]=4 1501 B12R1.252 CC(C)CNCc1ccccn1 Amb19890497 [0,1,0,1,0,0|2,0,0]=4 1502 B12R1.252 CC(C)CNCc1ccccn1 Amb33527556 [0,1,0,1,0,0|2,0,0]=4 1503 B12R1.252 CC(C)CNCc1ccccn1 Amb6868321 [0,1,0,1,0,0|2,0,0]=4 1504 B12R1.252 CC(C)NCCc1ccccc1 Amb2111109 [0,1,0,1,0,0|2,0,0]=4 1505 B12R1.252 CC(C)NCCc1ccccc1 Amb6246148 [0,1,0,1,0,0|2,0,0]=4 1506 B12R1.252 CC(C)NCCc1ccccn1 Amb6694449 [0,1,0,1,0,0|2,0,0]=4 1507 B12R1.252 CC(C)OCCc1ccccn1 Amb10573511 [0,1,0,1,0,0|2,0,0]=4 1508 B12R1.252 CC(Cl)CNCc1ccccc1 Amb27656927 [0,1,0,1,0,0|2,0,0]=4 1509 B12R1.252 CC(F)CCCc1ccccc1 Amb22229780 [0,1,0,1,0,0|1,0,0]=3 1510 B12R1.252 CC(N)CCCc1ccccc1 Amb2721865 [0,1,0,1,0,0|1,0,0]=3 1511 B12R1.252 CC(N)CCCc1cccnc1 Amb17232504 [0,1,0,1,0,0|2,0,0]=4 1512 B12R1.252 CC(N)CCNc1ccccc1 Amb19009675 [0,1,0,1,0,0|2,0,0]=4 1513 B12R1.252 CC(N)CCNc1ccccn1 Amb27599643 [0,1,0,1,0,0|2,0,0]=4 1514 B12R1.252 CC(N)CCOc1ccccc1 Amb7772215 [0,1,0,1,0,0|2,0,0]=4 1515 B12R1.252 CC(N)CCSc1ccccc1 Amb13881552 [0,1,0,1,0,0|2,0,0]=4 1516 B12R1.252 CC(N)COCc1ccccc1 Amb1124568 [0,1,0,1,0,0|2,0,0]=4 1517 B12R1.252 CC(N)CSCc1ccccc1 Amb18648554 [0,1,0,1,0,0|2,0,0]=4 1518 B12R1.252 CC(O)CCCc1ccccc1 Amb17138575 [0,1,0,1,0,0|1,0,0]=3 1519 B12R1.252 CC(O)CCCc1cccnc1 Amb22292250 [0,1,0,1,0,0|2,0,0]=4 1520 B12R1.252 CC(O)CCOc1ccccc1 Amb6298179 [0,1,0,1,0,0|2,0,0]=4 1521 B12R1.252 CC(O)CNCc1ccccc1 Amb837676 [0,1,0,1,0,0|2,0,0]=4 1522 B12R1.252 CC(O)CNCc1ccccn1 Amb5262446 [0,1,0,1,0,0|2,0,0]=4 1523 B12R1.252 CC(O)COCc1ccccc1 Amb4020574 [0,1,0,1,0,0|2,0,0]=4 1524 B12R1.252 CC(S)COCc1ccccc1 Amb32788346 [0,1,0,1,0,0|2,0,0]=4 1525 B12R1.252 CN(C)CCCc1ccccc1 Amb1085936 [0,1,0,1,0,0|2,0,0]=4 1526 B12R1.252 CN(O)CCCc1ccccc1 Amb32951844 [0,1,0,1,0,0|2,0,0]=4 1527 B12R1.252 C[C@@H](N)CCCc1ccccc1 Amb33081452 [0,1,0,1,0,0|1,0,0]=3 1528 B12R1.252 C[C@@H](N)CCCc1cccnc1 Amb22388607 [0,1,0,1,0,0|2,0,0]=4 1529 B12R1.252 C[C@@H](N)CCOc1ccccc1 Amb33081226 [0,1,0,1,0,0|2,0,0]=4 1530 B12R1.252 C[C@@H](N)COCc1ccccc1 Amb18529657 [0,1,0,1,0,0|2,0,0]=4 1531 B12R1.252 C[C@@H](O)CCCc1ccccc1 Amb33082320 [0,1,0,1,0,0|1,0,0]=3 1532 B12R1.252 C[C@@H](O)CCOc1ccccc1 Amb32951805 [0,1,0,1,0,0|2,0,0]=4 1533 B12R1.252 C[C@@H](O)COCc1ccccc1 Amb22169747 [0,1,0,1,0,0|2,0,0]=4 1534 B12R1.252 C[C@H](N)CCCc1ccccc1 Amb32954284 [0,1,0,1,0,0|1,0,0]=3 1535 B12R1.252 C[C@H](N)CCOc1ccccc1 Amb32954086 [0,1,0,1,0,0|2,0,0]=4 1536 B12R1.252 C[C@H](N)COCc1ccccc1 Amb17061656 [0,1,0,1,0,0|2,0,0]=4 1537 B12R1.252 C[C@H](O)CCCc1ccccc1 Amb32954841 [0,1,0,1,0,0|1,0,0]=3 1538 B12R1.252 C[C@H](O)CCOc1ccccc1 Amb32952875 [0,1,0,1,0,0|2,0,0]=4 1539 B12R1.252 C[C@H](O)CNCc1ccccc1 Amb27862492 [0,1,0,1,0,0|2,0,0]=4 1540 B12R1.252 C[C@H](O)COCc1ccccc1 Amb22044890 [0,1,0,1,0,0|2,0,0]=4 1541 B12R1.252 O=C(Cl)\C=C\CN1CCCCC1 Amb25999147 [0,1,0,1,0,0|1,0,1]=4 1542 B12R1.252 O=C(O)C\C=C\C1CCCCC1 Amb26861470 [0,1,0,1,0,0|0,0,2]=4 1543 B12R1.252 O=C(O)\C=C\CC1CCCCC1 Amb26527903 [0,1,0,1,0,0|0,0,2]=4 1544 B12R1.252 O=C(O)\C=C\CN1CCCCC1 Amb18988789 [0,1,0,1,0,0|1,0,1]=4 1545 B12R1.252 O=C(O)\C=C\CN1CCCCC1 Amb30634362 [0,1,0,1,0,0|1,0,1]=4 1546 B12R1.255 CC(=O)\C=C\C=C\C1CCCC1 Amb27201338 [0,1,0,1,0,0|0,0,0]=2 1547 B12R1.255 CC(=O)\C=C\CCC1CCCC1 Amb33379446 [0,1,0,1,0,0|0,0,2]=4 1548 B12R1.255 CC(N)CCCCc1ccco1 Amb22035241 [0,1,0,1,0,0|0,0,2]=4 1549 B12R1.255 O=C(O)\C=C\C=C\C1CCCC1 Amb28127009 [0,1,0,1,0,0|0,0,0]=2 1550 B12R1.255 O=C(O)\C=C\C=C\C1CCSC1 Amb28064253 [0,1,0,1,0,0|1,0,0]=3 1551 B12R1.255 O=C(O)\C=C\CCC1CCCC1 Amb33374577 [0,1,0,1,0,0|0,0,2]=4 1552 B12R1.283 CCCc1ccccc1C(=O)O Amb18646088 [0,1,0,1,0,0|0,0,2]=4 1553 B12R1.283 CCCc1ccccc1C(C)=O Amb25974909 [0,1,0,1,0,0|0,0,2]=4 1554 B12R1.283 CCCc1ncccc1C(=O)O Amb27615264 [0,1,0,1,0,0|1,0,1]=4 1555 B12R1.289 CCCC1COC\C1=C/C(=O)O Amb35631892 [0,1,0,1,0,0|1,0,1]=4 1556 B12R1.289 CCCC1COC\C1=C/C(C)=O Amb35616357 [0,1,0,1,0,0|1,0,1]=4 1557 B12R1.386 CCCCc1ccsc1C(=O)O Amb32751806 [0,1,0,1,0,0|1,0,1]=4 1558 B12R1.386 CCCCc1sccc1C(=O)O Amb24309094 [0,1,0,1,0,0|1,0,1]=4 1559 B12R1.386 CCCCn1cncc1C(=O)O Amb9776282 [0,1,0,1,0,0|2,0,0]=4 1560 B12R1.386 CCCCn1nccc1C(=O)O Amb6888963 [0,1,0,1,0,0|2,0,0]=4 1561 B12R1.386 CCCCn1nccc1C(N)=O Amb31209423 [0,1,0,1,0,0|2,0,0]=4 1562 B12R1.386 COCCn1cccc1C(=O)O Amb6281799 [0,1,0,1,0,0|2,0,0]=4 1563 B12R1.405 CC(C)C1C=CC=CC=C1C=O Amb27598051 [0,1,0,1,0,0|0,0,2]=4 1564 B12R1.1335 O=C(O)C1=CCCCCCCC1 Amb28325718 [0,1,0,1,0,0|0,0,2]=4 1565 B12R1.1343 CC(=O)C#CC1=CCCCCC1 Amb28199910 [0,1,0,1,0,0|0,0,2]=4 1566 B12R1.1343 CC(=O)\C=C\C1CCCCCC1 Amb27968526 [0,1,0,1,0,0|0,0,2]=4 1567 B12R1.1343 CC(=O)\C=C\N1CCCCCC1 Amb22524689 [0,1,0,1,0,0|1,0,1]=4 1568 B12R1.1343 CC(O)\C=C\C1=CCCCCC1 Amb27598627 [0,1,0,1,0,0|0,0,2]=4 1569 B12R1.1343 O=C(O)\C=C\C1=CCCCCC1 Amb28052137 [0,1,0,1,0,0|0,0,0]=2 1570 B12R1.1343 O=C(O)\C=C\C1CCCCCC1 Amb24715822 [0,1,0,1,0,0|0,0,2]=4 1571 B12R1.1343 O=C(O)\C=C\N1CCCCCC1 Amb27272954 [0,1,0,1,0,0|1,0,1]=4 1572 B12R1.1392 CC(=O)C=C1CCCCCCC1 Amb28253982 [0,1,0,1,0,0|0,0,2]=4 1573 B12R1.1392 CC(=O)CC1=CC=CCCCC1 Amb27770130 [0,1,0,1,0,0|0,0,2]=4 1574 B12R1.1392 CC(=O)NC1=CC=CCCCC1 Amb25307952 [0,1,0,1,0,0|1,0,1]=4 1575 B12R1.1392 CC(=O)NC1C=CCCCCC1 Amb27268481 [0,1,0,1,0,0|1,0,1]=4 1576 B12R1.1392 CC(=O)N[C@@H]1C=CCCCCC1 Amb28434672 [0,1,0,1,0,0|1,0,1]=4 1577 B12R1.1392 CC(=O)OC1=CCCCCCC1 Amb3994643 [0,1,0,1,0,0|1,0,1]=4 1578 B12R1.1392 CC(=O)OC1C=CCCCCC1 Amb6359572 [0,1,0,1,0,0|1,0,1]=4 1579 B12R1.1392 O=C(O)C=C1CCCCCCC1 Amb6749166 [0,1,0,1,0,0|0,0,2]=4 1580 B12R2.2 C1=C(c2cccs2)CCCC1 Amb33075977 [0,0,0,2,0,0|0,1,1]=4 1581 B12R2.2 c1cc(C2CCCC2)ncn1 Amb33070128 [0,0,0,2,0,0|2,0,0]=4 1582 B12R2.2 c1ccc(C2CCCC2)cc1 Amb9787161 [0,0,0,2,0,0|1,0,0]=3 1583 B12R2.2 c1ccc(C2CCCC2)nc1 Amb23589711 [0,0,0,2,0,0|1,0,0]=3 1584 B12R2.2 c1ccc(C2CCCN2)cc1 Amb10808365 [0,0,0,2,0,0|2,0,0]=4 1585 B12R2.2 c1ccc(C2CCCN2)cc1 Amb9702996 [0,0,0,2,0,0|2,0,0]=4 1586 B12R2.2 c1ccc(C2CCCN2)nc1 Amb21960411 [0,0,0,2,0,0|2,0,0]=4 1587 B12R2.2 c1ccc(C2CCCN2)nc1 Amb2235736 [0,0,0,2,0,0|2,0,0]=4 1588 B12R2.2 c1ccc(C2CCCN2)nc1 Amb30586497 [0,0,0,2,0,0|2,0,0]=4 1589 B12R2.2 c1ccc(C2CCCO2)cc1 Amb17334283 [0,0,0,2,0,0|2,0,0]=4 1590 B12R2.2 c1ccc(C2CCC[NH2+]2)cc1 Amb33512932 [0,0,0,2,0,0|2,0,0]=4 1591 B12R2.2 c1ccc(C2CCNC2)cc1 Amb10069263 [0,0,0,2,0,0|2,0,0]=4 1592 B12R2.2 c1ccc(C2CCNC2)cc1 Amb10072809 [0,0,0,2,0,0|2,0,0]=4 1593 B12R2.2 c1ccc(C2CCNC2)cc1 Amb701982 [0,0,0,2,0,0|2,0,0]=4 1594 B12R2.2 c1ccc(C2CCNC2)nc1 Amb10808435 [0,0,0,2,0,0|2,0,0]=4 1595 B12R2.2 c1ccc(C2CCNC2)nc1 Amb32719303 [0,0,0,2,0,0|2,0,0]=4 1596 B12R2.2 c1ccc(C2CCNC2)nc1 Amb3941368 [0,0,0,2,0,0|2,0,0]=4 1597 B12R2.2 c1ccc(C2CCOC2)nc1 Amb24320768 [0,0,0,2,0,0|2,0,0]=4 1598 B12R2.2 c1ccc(C2CCSC2)cc1 Amb4140293 [0,0,0,2,0,0|2,0,0]=4 1599 B12R2.2 c1ccc(C2CC[NH2+]C2)cc1 Amb4258873 [0,0,0,2,0,0|2,0,0]=4 1600 B12R2.2 c1ccc(N2CCCC2)cc1 Amb8391946 [0,0,0,2,0,0|2,0,0]=4 1601 B12R2.2 c1ccc(N2CCCC2)nc1 Amb18269671 [0,0,0,2,0,0|2,0,0]=4 1602 B12R2.2 c1ccc([C@@H]2CCCN2)cc1 Amb20241933 [0,0,0,2,0,0|2,0,0]=4 1603 B12R2.2 c1ccc([C@@H]2CCCN2)cc1 Amb8397178 [0,0,0,2,0,0|2,0,0]=4 1604 B12R2.2 c1ccc([C@@H]2CCCN2)nc1 Amb22802416 [0,0,0,2,0,0|2,0,0]=4 1605 B12R2.2 c1ccc([C@@H]2CCNC2)cc1 Amb19888399 [0,0,0,2,0,0|2,0,0]=4 1606 B12R2.2 c1ccc([C@@H]2CCNC2)cc1 Amb27617269 [0,0,0,2,0,0|2,0,0]=4 1607 B12R2.2 c1ccc([C@H]2CCCN2)cc1 Amb20241932 [0,0,0,2,0,0|2,0,0]=4 1608 B12R2.2 c1ccc([C@H]2CCCN2)cc1 Amb8397179 [0,0,0,2,0,0|2,0,0]=4 1609 B12R2.2 c1ccc([C@H]2CCCN2)nc1 Amb22754034 [0,0,0,2,0,0|2,0,0]=4 1610 B12R2.2 c1ccc([C@H]2CCNC2)cc1 Amb19887561 [0,0,0,2,0,0|2,0,0]=4 1611 B12R2.2 c1ccc([C@H]2CCNC2)cc1 Amb24183516 [0,0,0,2,0,0|2,0,0]=4 1612 B12R2.2 c1ccc([S+]2CCCC2)nc1 Amb2612713 [0,0,0,2,0,0|2,0,0]=4 1613 B12R2.2 c1cncc(C2CCCC2)c1 Amb25121665 [0,0,0,2,0,0|2,0,0]=4 1614 B12R2.2 c1csc(C2=NCCCC2)c1 Amb23578329 [0,0,0,2,0,0|1,1,0]=4 1615 B12R2.7 O=C1C=COCC12CCCC2 Amb32757566 [0,0,0,2,0,0|1,0,1]=4 1616 B12R2.10 Brc1ccoc1C2CCCC2 Amb18173884 [0,0,0,2,0,0|2,0,0]=4 1617 B12R2.10 Brc1cocc1C2CCCC2 Amb18771044 [0,0,0,2,0,0|2,0,0]=4 1618 B12R2.10 Brc1cscc1C2CCCC2 Amb18160346 [0,0,0,2,0,0|2,0,0]=4 1619 B12R2.10 Brc1occc1C2CCCC2 Amb13884537 [0,0,0,2,0,0|2,0,0]=4 1620 B12R2.10 Brc1sccc1C2CCCC2 Amb13884515 [0,0,0,2,0,0|2,0,0]=4 1621 B12R2.144 O=CC[C@H]1C=C[C@@H]2CCC[C@H]12 Amb27854283 [0,0,0,2,0,0|0,0,2]=4 1622 B12R2.229 O=C1C=CCC[C@@H]2CCCC12 Amb27227133 [0,0,0,2,0,0|0,0,2]=4 1623 B12R2.229 O=C1CCCCn2nccc21 Amb27227001 [0,0,0,2,0,0|2,0,0]=4 1624 B12R2.229 O=C1NCCCn2cccc21 Amb22496606 [0,0,0,2,0,0|2,0,0]=4 1625 B12R2.315 O=CC1CC=CC2CCCC12 Amb27646493 [0,0,0,2,0,0|0,0,2]=4 1626 B12R2.315 O=C[C@@H]1CC=C[C@H]2CCC[C@H]21 Amb28066528 [0,0,0,2,0,0|0,0,2]=4 1627 B12R2.315 O=C[C@H]1CC=C[C@H]2CCC[C@H]12 Amb26386046 [0,0,0,2,0,0|0,0,2]=4 1628 B12R2.315 O=Cc1cccc2c1CCC2 Amb18644270 [0,0,0,2,0,0|0,0,2]=4 1629 B12R2.2056 c1csc(SCC2CCC2)c1 Amb27176844 [0,0,0,2,0,0|1,1,0]=4 1630 B12R2.2336 O=C\C=C\C1CC2CCC1C2 Amb33225592 [0,0,0,2,0,0|0,0,2]=4 1631 B12R2.2383 c1csc(SCCC2CC2)c1 Amb27270323 [0,0,0,2,0,0|1,1,0]=4 1632 B12R2.41 C1=CNC2=NCCCCC2=C1 Amb25698578 [0,0,0,2,0,0|2,0,0]=4 1633 B12R2.41 c1ccc2c(c1)CCCCN2 Amb2383457 [0,0,0,2,0,0|1,0,1]=4 1634 B12R2.41 c1ccc2c(c1)CCCCO2 Amb25340494 [0,0,0,2,0,0|0,0,2]=4 1635 B12R2.41 c1ccc2c(c1)CCCNC2 Amb10608887 [0,0,0,2,0,0|2,0,0]=4 1636 B12R2.41 c1ccc2c(c1)CCCNC2 Amb17470382 [0,0,0,2,0,0|2,0,0]=4 1637 B12R2.41 c1ccc2c(c1)CCCOC2 Amb27216707 [0,0,0,2,0,0|2,0,0]=4 1638 B12R2.41 c1ccc2c(c1)CCNCC2 Amb1811889 [0,0,0,2,0,0|2,0,0]=4 1639 B12R2.41 c1ccc2c(c1)CCNCC2 Amb6769007 [0,0,0,2,0,0|2,0,0]=4 1640 B12R2.41 c1ccc2c(c1)CCOCC2 Amb22233129 [0,0,0,2,0,0|2,0,0]=4 1641 B12R2.41 c1cnc2c(c1)CCCCC2 Amb22347821 [0,0,0,2,0,0|1,0,0]=3 1642 B12R2.41 c1cnc2c(c1)CCCCN2 Amb33544995 [0,0,0,2,0,0|2,0,0]=4 1643 B12R2.41 c1cnc2c(c1)CCNCC2 Amb25152680 [0,0,0,2,0,0|2,0,0]=4 1644 B12R2.41 c1cnc2c(c1)CCOCC2 Amb24359900 [0,0,0,2,0,0|2,0,0]=4 1645 B12R2.41 c1cnc2c(c1)CNCCC2 Amb28397820 [0,0,0,2,0,0|2,0,0]=4 1646 B12R2.41 c1cnc2c(c1)NCCCC2 Amb25981440 [0,0,0,2,0,0|2,0,0]=4 1647 B12R2.707 O=C1C2=CC=CC=C1CCC2 Amb28253920 [0,0,0,2,0,0|0,0,2]=4 1648 B12R2.1041 O=C1C=C2CCCCCC2C1 Amb26053092 [0,0,0,2,0,0|0,0,2]=4 1649 B12R2.24 CC1CCc2ccccc2C1 Amb27232124 [0,0,0,2,0,0|1,0,1]=4 1650 B12R2.24 CC1CCc2ccccc2N1 Amb2792500 [0,0,0,2,0,0|1,0,1]=4 1651 B12R2.24 CC1CCc2ccccc2N1 Amb6773975 [0,0,0,2,0,0|1,0,1]=4 1652 B12R2.24 CC1CCc2ccccc2O1 Amb19515436 [0,0,0,2,0,0|0,0,2]=4 1653 B12R2.24 O=C1C=C2CCCCC2CC1 Amb17593740 [0,0,0,2,0,0|0,0,2]=4 1654 B12R2.24 O=C1C=C2CCCC[C@@H]2CC1 Amb28074789 [0,0,0,2,0,0|0,0,2]=4 1655 B12R2.24 O=C1C=C2NCCCC2CC1 Amb24728266 [0,0,0,2,0,0|1,0,1]=4 1656 B12R2.24 O=C1C=C2OCCCC2CC1 Amb28284787 [0,0,0,2,0,0|1,0,1]=4 1657 B12R2.24 O=C1CCC2CCCC=C2N1 Amb27598014 [0,0,0,2,0,0|1,0,1]=4 1658 B12R2.24 O=C1CC[C@@H]2CCC=C[C@@H]2C1 Amb27260489 [0,0,0,2,0,0|0,0,2]=4 1659 B12R2.24 OC1C=C2C=CCCC2CC1 Amb28069411 [0,0,0,2,0,0|0,0,2]=4 1660 B12R2.24 O[C@@H]1C=C2C=CCC[C@@H]2CC1 Amb27853691 [0,0,0,2,0,0|0,0,2]=4 1661 B12R2.32 CCC1Cc2ccccc2N1 Amb27238349 [0,0,0,2,0,0|1,0,1]=4 1662 B12R2.115 CC1CC1c2ccccc2O Amb28246506 [0,0,0,2,0,0|0,0,2]=4 1663 B12R2.125 O=C1CCC2=CCCCC1C2 Amb27605515 [0,0,0,2,0,0|0,0,2]=4 1664 B12R2.196 CC1CCCC2C(=O)C=CN12 Amb27227867 [0,0,0,2,0,0|1,0,1]=4 1665 B12R2.196 CC1CCC[C@@H]2C(=O)C=C[C@H]12 Amb27859386 [0,0,0,2,0,0|0,0,2]=4 1666 B12R2.196 C[C@@H]1CCC[C@@H]2C(=O)C=C[C@@H]21 Amb28052226 [0,0,0,2,0,0|0,0,2]=4 1667 B12R2.196 C[C@H]1CCC[C@@H]2C(=O)C=C[C@H]12 Amb27629690 [0,0,0,2,0,0|0,0,2]=4 1668 B12R2.225 Nc1ccccc1CC2CC2 Amb24117001 [0,0,0,2,0,0|1,0,1]=4 1669 B12R2.225 O=C1C=CC=NN1CC2CC2 Amb25083939 [0,0,0,2,0,0|2,0,0]=4 1670 B12R2.225 Oc1ccccc1CC2CC2 Amb22752448 [0,0,0,2,0,0|0,0,2]=4 1671 B12R2.517 Brc1ccccc1C2CCC2 Amb20617096 [0,0,0,2,0,0|1,0,1]=4 1672 B12R2.517 Nc1ccccc1C2CCC2 Amb20617097 [0,0,0,2,0,0|1,0,1]=4 1673 B12R2.517 Nc1ccccc1C2CCC2 Amb31156619 [0,0,0,2,0,0|1,0,1]=4 1674 B12R2.517 O=C1C=CC=CN1C2CNC2 Amb31031268 [0,0,0,2,0,0|2,0,0]=4 1675 B12R2.517 Oc1ccccc1C2CCC2 Amb20617098 [0,0,0,2,0,0|0,0,2]=4 1676 B12R2.587 CC12CCCCN1C=CC2=O Amb28122433 [0,0,0,2,0,0|1,0,1]=4 1677 B12R2.931 BrCCC1Cc2ccccc21 Amb28060024 [0,0,0,2,0,0|2,0,0]=4 1678 B12R2.931 CCNC1Cc2ccccc21 Amb27840306 [0,0,0,2,0,0|2,0,0]=4 1679 B12R2.931 ClCCC1Cc2ccccc21 Amb27260584 [0,0,0,2,0,0|2,0,0]=4 1680 B12R2.1081 BrC1CCCc2ccccc21 Amb8384413 [0,0,0,2,0,0|2,0,0]=4 1681 B12R2.1081 Brc1cccc2c1CCCC2 Amb5494140 [0,0,0,2,0,0|1,0,1]=4 1682 B12R2.1081 CC1CCCc2ccccc21 Amb22730060 [0,0,0,2,0,0|1,0,0]=3 1683 B12R2.1081 CC1CCCc2cccnc21 Amb26442760 [0,0,0,2,0,0|2,0,0]=4 1684 B12R2.1081 CC1CCCc2ncccc21 Amb27617300 [0,0,0,2,0,0|1,0,0]=3 1685 B12R2.1081 CC1CCCc2ncncc21 Amb27456609 [0,0,0,2,0,0|2,0,0]=4 1686 B12R2.1081 CC1CCNc2ccccc21 Amb7969716 [0,0,0,2,0,0|2,0,0]=4 1687 B12R2.1081 CC1CCNc2ccccc21 Amb9782720 [0,0,0,2,0,0|2,0,0]=4 1688 B12R2.1081 CC1CCNc2ncccc21 Amb26399114 [0,0,0,2,0,0|2,0,0]=4 1689 B12R2.1081 CC1CCOc2ccccc21 Amb28194294 [0,0,0,2,0,0|2,0,0]=4 1690 B12R2.1081 CC1CNCc2ccccc21 Amb17399906 [0,0,0,2,0,0|2,0,0]=4 1691 B12R2.1081 CC1CNCc2ccccc21 Amb22275944 [0,0,0,2,0,0|2,0,0]=4 1692 B12R2.1081 CC1COCc2ccccc21 Amb23580749 [0,0,0,2,0,0|2,0,0]=4 1693 B12R2.1081 CC1NCCc2ccccc21 Amb19514854 [0,0,0,2,0,0|2,0,0]=4 1694 B12R2.1081 CC1NCCc2ccccc21 Amb5735598 [0,0,0,2,0,0|2,0,0]=4 1695 B12R2.1081 CC1NCCc2ncccc21 Amb33544943 [0,0,0,2,0,0|2,0,0]=4 1696 B12R2.1081 CN1CCCc2ccccc21 Amb15692645 [0,0,0,2,0,0|2,0,0]=4 1697 B12R2.1081 C[C@@H]1CCCc2ncccc21 Amb27476144 [0,0,0,2,0,0|1,0,0]=3 1698 B12R2.1081 C[C@@H]1CNCc2ccccc21 Amb30594264 [0,0,0,2,0,0|2,0,0]=4 1699 B12R2.1081 C[C@@H]1NCCc2ccccc21 Amb22751772 [0,0,0,2,0,0|2,0,0]=4 1700 B12R2.1081 C[C@H]1NCCc2ccccc21 Amb28186683 [0,0,0,2,0,0|2,0,0]=4 1701 B12R2.1081 Cc1cccc2c1CCCC2 Amb22731111 [0,0,0,2,0,0|1,0,1]=4 1702 B12R2.1081 ClC1CCCc2ccccc21 Amb9204490 [0,0,0,2,0,0|2,0,0]=4 1703 B12R2.1081 ClC1CCCc2ncccc21 Amb25152726 [0,0,0,2,0,0|2,0,0]=4 1704 B12R2.1081 IC1CCCc2ccccc21 Amb33714900 [0,0,0,2,0,0|2,0,0]=4 1705 B12R2.1081 Ic1cccc2c1CCCC2 Amb8839224 [0,0,0,2,0,0|1,0,1]=4 1706 B12R2.1081 NC1CCCc2ccccc21 Amb24273096 [0,0,0,2,0,0|2,0,0]=4 1707 B12R2.1081 NC1CCCc2ccccc21 Amb5716841 [0,0,0,2,0,0|2,0,0]=4 1708 B12R2.1081 NC1CCCc2ccccc21 Amb6334842 [0,0,0,2,0,0|2,0,0]=4 1709 B12R2.1081 NC1CCCc2ncccc21 Amb22499726 [0,0,0,2,0,0|2,0,0]=4 1710 B12R2.1081 NC1CCCc2ncccc21 Amb2695428 [0,0,0,2,0,0|2,0,0]=4 1711 B12R2.1081 N[C@@H]1CCCc2ccccc21 Amb10844952 [0,0,0,2,0,0|2,0,0]=4 1712 B12R2.1081 N[C@@H]1CCCc2ncccc21 Amb27170343 [0,0,0,2,0,0|2,0,0]=4 1713 B12R2.1081 N[C@H]1CCCc2ccccc21 Amb19929634 [0,0,0,2,0,0|2,0,0]=4 1714 B12R2.1081 N[C@H]1CCCc2ccccc21 Amb8383429 [0,0,0,2,0,0|2,0,0]=4 1715 B12R2.1081 Nc1cccc2c1CCCC2 Amb1088906 [0,0,0,2,0,0|1,0,1]=4 1716 B12R2.1081 O=C1C=CC=C2CNCCN12 Amb33718705 [0,0,0,2,0,0|2,0,0]=4 1717 B12R2.1081 O=C1C=CCN2CCCC[C@@H]12 Amb28386556 [0,0,0,2,0,0|1,0,1]=4 1718 B12R2.1081 O=C1C=CNC2=C1CCCC2 Amb22749082 [0,0,0,2,0,0|1,0,1]=4 1719 B12R2.1081 O=C1CCC=C2CCCCC12 Amb27409497 [0,0,0,2,0,0|0,0,2]=4 1720 B12R2.1081 O=C1CCCC2CC=CCC12 Amb26053363 [0,0,0,2,0,0|0,0,2]=4 1721 B12R2.1081 O=C1CCC[C@@H]2CC=CC[C@H]12 Amb27447275 [0,0,0,2,0,0|0,0,2]=4 1722 B12R2.1081 O=C1CCC[C@H]2CC=CC[C@H]12 Amb27212455 [0,0,0,2,0,0|0,0,2]=4 1723 B12R2.1081 O=C1CCC[n+]2ccccc21 Amb16191924 [0,0,0,2,0,0|1,0,1]=4 1724 B12R2.1081 O=C1CCC[n+]2ccccc21 Amb2613491 [0,0,0,2,0,0|1,0,1]=4 1725 B12R2.1081 O=C1CCCc2ccccc21 Amb534638 [0,0,0,2,0,0|0,0,2]=4 1726 B12R2.1081 O=C1CCCc2ncccc21 Amb19515604 [0,0,0,2,0,0|1,0,1]=4 1727 B12R2.1081 O=C1CCCc2ncccc21 Amb2695282 [0,0,0,2,0,0|1,0,1]=4 1728 B12R2.1081 O=c1cccc2n1CCCN2 Amb22227688 [0,0,0,2,0,0|2,0,0]=4 1729 B12R2.1081 OC1CCCc2ccccc21 Amb9702810 [0,0,0,2,0,0|2,0,0]=4 1730 B12R2.1081 O[C@@H]1CCCc2ccccc21 Amb22337827 [0,0,0,2,0,0|2,0,0]=4 1731 B12R2.1081 O[C@@H]1CCCc2ncccc21 Amb26874431 [0,0,0,2,0,0|2,0,0]=4 1732 B12R2.1081 O[C@H]1CCCc2ccccc21 Amb22336192 [0,0,0,2,0,0|2,0,0]=4 1733 B12R2.1081 Oc1cccc2c1CCCC2 Amb33550500 [0,0,0,2,0,0|0,0,2]=4 1734 B12R2.1081 SC1CCCc2ccccc21 Amb9208036 [0,0,0,2,0,0|2,0,0]=4 1735 B12R2.1081 SC1CCCc2ncccc21 Amb32788546 [0,0,0,2,0,0|2,0,0]=4 1736 B12R2.1081 Sc1cccc2c1CCCC2 Amb5494141 [0,0,0,2,0,0|0,1,1]=4 1737 B12R2.1081 [NH3+]C1CCCc2ccccc21 Amb24113843 [0,0,0,2,0,0|2,0,0]=4 1738 B12R2.1 BrCC1CCc2ccccc21 Amb22500999 [0,0,0,2,0,0|2,0,0]=4 1739 B12R2.1 CCC1CNc2ccccc21 Amb32661135 [0,0,0,2,0,0|2,0,0]=4 1740 B12R2.1 CCC1CNc2ccccc21 Amb9776196 [0,0,0,2,0,0|2,0,0]=4 1741 B12R2.1 CCC1NCc2ccccc21 Amb24377125 [0,0,0,2,0,0|2,0,0]=4 1742 B12R2.1 CCC1NCc2ccccc21 Amb30584702 [0,0,0,2,0,0|2,0,0]=4 1743 B12R2.1 CNC1CCc2ccccc21 Amb9705483 [0,0,0,2,0,0|2,0,0]=4 1744 B12R2.1 CNC1CCc2ncccc21 Amb27453553 [0,0,0,2,0,0|2,0,0]=4 1745 B12R2.1 COC1CCc2ccccc21 Amb25880282 [0,0,0,2,0,0|2,0,0]=4 1746 B12R2.1 ClCC1CCc2ccccc21 Amb22500998 [0,0,0,2,0,0|2,0,0]=4 1747 B12R2.1 NCC1CCc2ccccc21 Amb22500956 [0,0,0,2,0,0|2,0,0]=4 1748 B12R2.1 NCC1CCc2ccccc21 Amb8950115 [0,0,0,2,0,0|2,0,0]=4 1749 B12R2.1 NCC1CCc2ncccc21 Amb27642010 [0,0,0,2,0,0|2,0,0]=4 1750 B12R2.1 O=Cc1ccc2n1CCCC2 Amb18202092 [0,0,0,2,0,0|1,0,0]=3 1751 B12R2.1 O=Cc1ccc2n1CCOC2 Amb18201769 [0,0,0,2,0,0|2,0,0]=4 1752 B12R2.1 O=Cc1ccn2c1CCCC2 Amb18202093 [0,0,0,2,0,0|1,0,1]=4 1753 B12R2.1 O=Cc1cnc2n1CCCC2 Amb16230471 [0,0,0,2,0,0|2,0,0]=4 1754 B12R2.1 O=Cc1coc2c1CCCC2 Amb18201951 [0,0,0,2,0,0|1,0,1]=4 1755 B12R2.1 O=Cc1csc2c1CCCC2 Amb10075483 [0,0,0,2,0,0|1,0,1]=4 1756 B12R2.1 O=Cn1ccc2c1CCCC2 Amb25757008 [0,0,0,2,0,0|1,0,1]=4 1757 B12R2.1 OCC1CCc2ccccc21 Amb19329220 [0,0,0,2,0,0|2,0,0]=4 1758 B12R2.1 SCC1CCc2ccccc21 Amb33144588 [0,0,0,2,0,0|2,0,0]=4 1759 B12R2.30 NCC1Cn2cccc2C1=O Amb25869759 [0,0,0,2,0,0|2,0,0]=4 1760 B12R2.44 O=Cc1ccc2c(c1)CCC2 Amb2688826 [0,0,0,2,0,0|0,0,2]=4 1761 B12R2.44 O=Cc1ccc2c(n1)CCC2 Amb23455029 [0,0,0,2,0,0|1,0,1]=4 1762 B12R2.55 CC1CC1n2cccc2C=O Amb27867082 [0,0,0,2,0,0|1,0,0]=3 1763 B12R2.82 CC1CCc2sccc2C1=O Amb18561654 [0,0,0,2,0,0|1,0,1]=4 1764 B12R2.324 O=Cc1ccnn1CC2CC2 Amb21856203 [0,0,0,2,0,0|2,0,0]=4 1765 B12R2.324 O=Cc1nccn1CC2CC2 Amb8011188 [0,0,0,2,0,0|2,0,0]=4 1766 B12R2.367 CN1CCn2c(C=O)ccc21 Amb18201946 [0,0,0,2,0,0|2,0,0]=4 1767 B12R2.2140 O=Cc1ccnn1C2CCC2 Amb26952779 [0,0,0,2,0,0|2,0,0]=4 1768 B12R2.2140 O=Cc1nccn1C2CCC2 Amb27442026 [0,0,0,2,0,0|2,0,0]=4 1769 B12R2.694 O=C1C2CC=CCCC1CC2 Amb27954210 [0,0,0,2,0,0|0,0,2]=4 1770 B12R2.1067 O=C1CC2=C1CCCCCC2 Amb28144214 [0,0,0,2,0,0|0,0,2]=4 1771 B12R2.1067 O=C1N[C@@H]2C=CCCCC[C@H]12 Amb26891713 [0,0,0,2,0,0|1,0,1]=4 1772 B12R2.8 O=C1C=CCC12CCCCC2 Amb28285014 [0,0,0,2,0,0|0,0,2]=4 1773 B12R2.8 O=C1C=COC12CCCCC2 Amb26030972 [0,0,0,2,0,0|1,0,1]=4 1774 B12R2.11 BrC1CC1Cc2ccccc2 Amb27176533 [0,0,0,2,0,0|2,0,0]=4 1775 B12R2.11 Br[C@H]1C[C@@H]1Cc2ccccc2 Amb28287700 [0,0,0,2,0,0|2,0,0]=4 1776 B12R2.11 CC1CC1Nc2ccccc2 Amb24743217 [0,0,0,2,0,0|2,0,0]=4 1777 B12R2.11 C[C@@H]1C[C@@H]1Nc2ccccc2 Amb28059383 [0,0,0,2,0,0|2,0,0]=4 1778 B12R2.11 Cl[C@@H]1C[C@@H]1Cc2ccccc2 Amb27640652 [0,0,0,2,0,0|2,0,0]=4 1779 B12R2.11 NC1CC1Cc2ccccc2 Amb18960797 [0,0,0,2,0,0|2,0,0]=4 1780 B12R2.11 NC1CC1Cc2ccccc2 Amb19375025 [0,0,0,2,0,0|2,0,0]=4 1781 B12R2.11 N[C@@H]1C[C@H]1Cc2ccccc2 Amb32953150 [0,0,0,2,0,0|2,0,0]=4 1782 B12R2.23 CC1CCN1c2ccccc2 Amb28312828 [0,0,0,2,0,0|2,0,0]=4 1783 B12R2.23 CC1CNC1c2ccccc2 Amb19338009 [0,0,0,2,0,0|2,0,0]=4 1784 B12R2.23 CC1NCC1c2ccccc2 Amb25842786 [0,0,0,2,0,0|2,0,0]=4 1785 B12R2.23 NC1CCC1c2ccccc2 Amb19335290 [0,0,0,2,0,0|2,0,0]=4 1786 B12R2.23 NC1CCC1c2ccccc2 Amb24120632 [0,0,0,2,0,0|2,0,0]=4 1787 B12R2.23 NC1CCC1c2ccccn2 Amb27430527 [0,0,0,2,0,0|2,0,0]=4 1788 B12R2.23 N[C@@H]1CC[C@@H]1c2ccccc2 Amb28594309 [0,0,0,2,0,0|2,0,0]=4 1789 B12R2.23 N[C@@H]1CC[C@@H]1c2ccccc2 Amb32665507 [0,0,0,2,0,0|2,0,0]=4 1790 B12R2.23 N[C@@H]1CC[C@H]1c2ccccc2 Amb25174969 [0,0,0,2,0,0|2,0,0]=4 1791 B12R2.23 N[C@@H]1CC[C@H]1c2ccccc2 Amb33447016 [0,0,0,2,0,0|2,0,0]=4 1792 B12R2.23 N[C@H]1CC[C@H]1c2ccccc2 Amb27789894 [0,0,0,2,0,0|2,0,0]=4 1793 B12R2.23 O=C1CCC1=C2CCCCC2 Amb24607327 [0,0,0,2,0,0|0,0,2]=4 1794 B12R2.23 OC1CCC1c2ccccc2 Amb19374437 [0,0,0,2,0,0|2,0,0]=4 1795 B12R2.23 O[C@H]1CC[C@H]1c2ccccc2 Amb27816201 [0,0,0,2,0,0|2,0,0]=4 1796 B12R2.27 BrCC1CC1c2ccccc2 Amb25099525 [0,0,0,2,0,0|2,0,0]=4 1797 B12R2.27 BrC[C@@H]1C[C@H]1c2ccccc2 Amb26055377 [0,0,0,2,0,0|2,0,0]=4 1798 B12R2.27 CC[C@@H]1O[C@H]1c2ccccc2 Amb27768002 [0,0,0,2,0,0|2,0,0]=4 1799 B12R2.27 CNC1CC1c2ccccc2 Amb18957298 [0,0,0,2,0,0|2,0,0]=4 1800 B12R2.27 CNC1CC1c2ccccc2 Amb20630184 [0,0,0,2,0,0|2,0,0]=4 1801 B12R2.27 CN[C@@H]1C[C@H]1c2ccccc2 Amb28056101 [0,0,0,2,0,0|2,0,0]=4 1802 B12R2.27 CN[C@@H]1C[C@H]1c2ccccc2 Amb33309625 [0,0,0,2,0,0|2,0,0]=4 1803 B12R2.27 NCC1CC1c2ccccc2 Amb17232030 [0,0,0,2,0,0|2,0,0]=4 1804 B12R2.27 NCC1CC1c2ccccc2 Amb19515036 [0,0,0,2,0,0|2,0,0]=4 1805 B12R2.27 NCC1CC1c2ccccn2 Amb18963618 [0,0,0,2,0,0|2,0,0]=4 1806 B12R2.27 NC[C@@H]1C[C@@H]1c2ccccc2 Amb34916191 [0,0,0,2,0,0|2,0,0]=4 1807 B12R2.27 NC[C@@H]1C[C@H]1c2ccccc2 Amb24514797 [0,0,0,2,0,0|2,0,0]=4 1808 B12R2.27 NC[C@@H]1C[C@H]1c2ccccc2 Amb32661485 [0,0,0,2,0,0|2,0,0]=4 1809 B12R2.27 NC[C@@H]1C[C@H]1c2ccccn2 Amb26887881 [0,0,0,2,0,0|2,0,0]=4 1810 B12R2.27 NC[C@H]1C[C@@H]1c2ccccc2 Amb24606663 [0,0,0,2,0,0|2,0,0]=4 1811 B12R2.27 NC[C@H]1C[C@@H]1c2ccccc2 Amb32664390 [0,0,0,2,0,0|2,0,0]=4 1812 B12R2.27 NC[C@H]1C[C@H]1c2ccccc2 Amb34916190 [0,0,0,2,0,0|2,0,0]=4 1813 B12R2.27 O=CC1OC1=C2CCCCC2 Amb27823740 [0,0,0,2,0,0|1,0,1]=4 1814 B12R2.27 OCC1CC1c2ccccc2 Amb17605543 [0,0,0,2,0,0|2,0,0]=4 1815 B12R2.27 OCC1CC1c2ccccn2 Amb23536863 [0,0,0,2,0,0|2,0,0]=4 1816 B12R2.27 OCC1C[C@@H]1c2ccccc2 Amb28182630 [0,0,0,2,0,0|2,0,0]=4 1817 B12R2.27 OCC1C[C@H]1c2ccccc2 Amb28207313 [0,0,0,2,0,0|2,0,0]=4 1818 B12R2.27 OC[C@@H]1C[C@@H]1c2ccccc2 Amb25917153 [0,0,0,2,0,0|2,0,0]=4 1819 B12R2.27 OC[C@@H]1C[C@H]1c2ccccc2 Amb28146004 [0,0,0,2,0,0|2,0,0]=4 1820 B12R2.27 OC[C@@H]1C[C@H]1c2ccccn2 Amb27968717 [0,0,0,2,0,0|2,0,0]=4 1821 B12R2.27 OC[C@H]1C[C@@H]1c2ccccc2 Amb3634122 [0,0,0,2,0,0|2,0,0]=4 1822 B12R2.27 OC[C@H]1C[C@@H]1c2ccccn2 Amb27428354 [0,0,0,2,0,0|2,0,0]=4 1823 B12R2.2057 c1ccc(CCC2CO2)cc1 Amb33540498 [0,0,0,2,0,0|2,0,0]=4 1824 B12R2.2057 c1ccc(CC[C@@H]2CO2)cc1 Amb32951908 [0,0,0,2,0,0|2,0,0]=4 1825 B12R2.2057 c1ccc(CC[C@H]2CO2)cc1 Amb33082099 [0,0,0,2,0,0|2,0,0]=4 1826 B12R2.2057 c1ccc(CNC2CC2)cc1 Amb19515725 [0,0,0,2,0,0|2,0,0]=4 1827 B12R2.2057 c1ccc(CNC2CC2)cc1 Amb6662862 [0,0,0,2,0,0|2,0,0]=4 1828 B12R2.2057 c1ccc(CNC2CC2)nc1 Amb6356061 [0,0,0,2,0,0|2,0,0]=4 1829 B12R2.2057 c1ccc(CNC2CC2)nc1 Amb8469754 [0,0,0,2,0,0|2,0,0]=4 1830 B12R2.2057 c1ccc(COC2CC2)cc1 Amb27481431 [0,0,0,2,0,0|2,0,0]=4 1831 B12R2.2057 c1ccc(NCC2CC2)cc1 Amb2383311 [0,0,0,2,0,0|2,0,0]=4 1832 B12R2.2057 c1ccc(OCC2CC2)cc1 Amb22752457 [0,0,0,2,0,0|2,0,0]=4 1833 B12R2.2057 c1ccc(OCC2CC2)nc1 Amb24725808 [0,0,0,2,0,0|2,0,0]=4 1834 B12R2.2057 c1ccc(SCC2CC2)cc1 Amb27485492 [0,0,0,2,0,0|2,0,0]=4 1835 B12R2.2058 B1CC(Cc2ccccc2)C1 Amb25243383 [0,0,0,2,0,0|2,0,0]=4 1836 B12R2.2058 c1ccc(CC2CCN2)cc1 Amb33552346 [0,0,0,2,0,0|2,0,0]=4 1837 B12R2.2058 c1ccc(CC2CCN2)cc1 Amb7808794 [0,0,0,2,0,0|2,0,0]=4 1838 B12R2.2058 c1ccc(CC2CNC2)cc1 Amb1123190 [0,0,0,2,0,0|2,0,0]=4 1839 B12R2.2058 c1ccc(CC2CNC2)cc1 Amb19373673 [0,0,0,2,0,0|2,0,0]=4 1840 B12R2.2058 c1ccc(CC2CNC2)nc1 Amb23598870 [0,0,0,2,0,0|2,0,0]=4 1841 B12R2.2058 c1ccc(CC2COC2)cc1 Amb27602505 [0,0,0,2,0,0|2,0,0]=4 1842 B12R2.2058 c1ccc(CN2CCC2)cc1 Amb27391196 [0,0,0,2,0,0|2,0,0]=4 1843 B12R2.2058 c1ccc(CN2CCC2)nc1 Amb28197112 [0,0,0,2,0,0|2,0,0]=4 1844 B12R2.2058 c1ccc(NC2CCC2)cc1 Amb18283820 [0,0,0,2,0,0|2,0,0]=4 1845 B12R2.2058 c1ccc(NC2CCC2)nc1 Amb18285901 [0,0,0,2,0,0|2,0,0]=4 1846 B12R2.2058 c1ccc(SC2CCC2)cc1 Amb10976023 [0,0,0,2,0,0|2,0,0]=4 1847 B12R2.18 CC1Cc2ccccc2C1=O Amb2724364 [0,0,0,2,0,0|0,0,2]=4 1848 B12R2.2048 O=Cc1ccccc1C2CC2 Amb6739828 [0,0,0,2,0,0|0,0,2]=4 1849 B12R2.2048 O=Cc1cccnc1C2CC2 Amb23560754 [0,0,0,2,0,0|1,0,1]=4 1850 B12R2.270 O=C\C=C\C1CCC2CC2C1 Amb35600638 [0,0,0,2,0,0|0,0,2]=4 1851 B12R2.550 OC1C=CC=CCC2CC2C1 Amb27605288 [0,0,0,2,0,0|0,0,2]=4 1852 B12R2.1114 O=C1C=CON1CC2CCC2 Amb27664916 [0,0,0,2,0,0|2,0,0]=4 1853 B12R2.586 Brc1scc2c1CCCCC2 Amb18160345 [0,0,0,2,0,0|2,0,0]=4 1854 B12R2.586 O=C1CCC2=C1C=CCCC2 Amb27605676 [0,0,0,2,0,0|0,0,2]=4 1855 B12R2.586 O=C1CCC2=CCC=CC=C12 Amb28386613 [0,0,0,2,0,0|0,0,2]=4 1856 B12R2.586 O=C1CCC2CCC=CCN12 Amb27176602 [0,0,0,2,0,0|1,0,1]=4 1857 B12R2.586 O=C1OCC2=C1CCCCC2 Amb27668945 [0,0,0,2,0,0|1,0,1]=4 1858 B12R2.466 O=C1C=CON1CCC2CC2 Amb27751552 [0,0,0,2,0,0|2,0,0]=4 1859 B12R2.114 O=C1C=CC[C@@H]2CCC[C@@H]2C1 Amb28411254 [0,0,0,2,0,0|0,0,2]=4 1860 B12R2.114 O=C1CCC=C2CCCC2C1 Amb27973068 [0,0,0,2,0,0|0,0,2]=4 1861 B12R2.4839 O=CC1C2C=CCCCCC12 Amb27949620 [0,0,0,2,0,0|0,0,2]=4