0 B10R0.71 CC#CC#C\C=C\C=CC=O Amb24513075 [0,0,0,0,0,0|0,0,4]=4 1 B10R0.71 CC=CC=CC=CC=CC=O Amb25384138 [0,0,0,0,0,0|0,0,4]=4 2 B10R0.71 CCCC#CC#C\C=C\C=O Amb24398767 [0,0,0,0,0,0|0,0,4]=4 3 B10R0.71 CCCCCC#CC#CC=O Amb25189232 [0,0,0,0,0,0|0,0,4]=4 4 B10R0.71 CCCCCC#C\C=C/CO Amb17593798 [0,0,0,0,0,0|0,0,4]=4 5 B10R0.71 CCCCCC#C\C=C\C=O Amb25383534 [0,0,0,0,0,0|0,0,2]=2 6 B10R0.71 CCCCCC#C\C=C\CO Amb25383013 [0,0,0,0,0,0|0,0,4]=4 7 B10R0.71 CCCCCC=CC=CC=O Amb24056155 [0,0,0,0,0,0|0,0,0]=0 8 B10R0.71 CCCCCCCCOC=O Amb22231360 [0,0,0,0,0,0|1,0,3]=4 9 B10R0.71 CCCCCCC\C=C/CO Amb10563790 [0,0,0,0,0,0|0,0,4]=4 10 B10R0.71 CCCCCC\C=C\CCO Amb22641690 [0,0,0,0,0,0|0,0,4]=4 11 B10R0.71 CCCCC\C=C/C=CC=C Amb22336558 [0,0,0,0,0,0|1,0,0]=1 12 B10R0.71 CCCCC\C=C\C=C/C=C Amb22546765 [0,0,0,0,0,0|1,0,0]=1 13 B10R0.71 CCCCC\C=C\C=C\C=C Amb22730166 [0,0,0,0,0,0|1,0,0]=1 14 B10R0.71 CCCCC\C=C\C=C\CO Amb10807430 [0,0,0,0,0,0|0,0,2]=2 15 B10R0.71 CCCCC\C=C\CCC=O Amb10071527 [0,0,0,0,0,0|0,0,2]=2 16 B10R0.71 CCCCC\C=C\CCCO Amb10807437 [0,0,0,0,0,0|0,0,4]=4 17 B10R0.71 C\C=C/C\C=C/CCCCC Amb22546768 [0,0,0,0,0,0|1,0,1]=2 18 B10R0.71 C\C=C\C=C\C=C\C=C\C=O Amb10069453 [0,0,0,0,0,0|0,0,4]=4 19 B10R0.71 C\C=C\C=C\CCCCCC Amb22546597 [0,0,0,0,0,0|1,0,1]=2 20 B9R0.45 C=CCCCC\C=C\C=O Amb17593510 [1,0,0,0,0,0|0,0,3]=4 21 B9R0.45 C=C\C=C\C#CCCCCl Amb24746779 [1,0,0,0,0,0|1,0,2]=4 22 B9R0.45 C=C\C=C\CCCCC=O Amb24678814 [1,0,0,0,0,0|1,0,2]=4 23 B9R0.45 CC#CCCC\C=C\C=O Amb24418091 [1,0,0,0,0,0|0,0,3]=4 24 B9R0.45 CC=CC=CC=CCCO Amb25129709 [1,0,0,0,0,0|2,0,1]=4 25 B9R0.45 CC=CC=CC=NCCO Amb24442192 [1,0,0,0,0,0|3,0,0]=4 26 B9R0.45 CC=CC=CCCCCO Amb22231339 [1,0,0,0,0,0|1,0,1]=3 27 B9R0.45 CCCCC#C\C=C/C=O Amb24399714 [1,0,0,0,0,0|0,0,2]=3 28 B9R0.45 CCCCC#C\C=C\C=O Amb24564368 [1,0,0,0,0,0|0,0,2]=3 29 B9R0.45 CCCCC=CC=CCO Amb22228348 [1,0,0,0,0,0|0,0,2]=3 30 B9R0.45 CCCCCC#CCC=C Amb10563782 [1,0,0,0,0,0|0,0,3]=4 31 B9R0.45 CCCCCC#C\C=C\Cl Amb24585175 [1,0,0,0,0,0|1,0,2]=4 32 B9R0.45 CCCCCC=C=CCN Amb25680152 [1,0,0,0,0,0|1,0,2]=4 33 B9R0.45 CCCCCC=C=CCO Amb25357386 [1,0,0,0,0,0|0,0,3]=4 34 B9R0.45 CCCCCCC#CC=O Amb25227346 [1,0,0,0,0,0|0,0,3]=4 35 B9R0.45 CCCCCCC=CC=O Amb24061310 [1,0,0,0,0,0|0,0,1]=2 36 B9R0.45 CCCCCCCOC=C Amb25817973 [1,0,0,0,0,0|1,0,2]=4 37 B9R0.45 CCCCCCC\C=C\Cl Amb25322197 [1,0,0,0,0,0|1,0,2]=4 38 B9R0.45 CCCCCCC\C=C\I Amb24708038 [1,0,0,0,0,0|1,0,2]=4 39 B9R0.45 CCCCCCOCC=C Amb17933923 [1,0,0,0,0,0|1,0,2]=4 40 B9R0.45 CCCCCCSCC=C Amb22733767 [1,0,0,0,0,0|1,0,2]=4 41 B9R0.45 CCCCCC\C=C/C=C Amb22641680 [1,0,0,0,0,0|0,0,1]=2 42 B9R0.45 CCCCCC\C=C/CO Amb10807383 [1,0,0,0,0,0|0,0,3]=4 43 B9R0.45 CCCCCC\C=C\CBr Amb25046739 [1,0,0,0,0,0|1,0,2]=4 44 B9R0.45 CCCCCC\C=C\CCl Amb25728404 [1,0,0,0,0,0|1,0,2]=4 45 B9R0.45 CCCCCC\C=C\CO Amb22168300 [1,0,0,0,0,0|0,0,3]=4 46 B9R0.45 CCCCCNOCC=C Amb25359199 [1,0,0,0,0,0|2,0,1]=4 47 B9R0.45 CCCCCN\C=C\C#N Amb24386038 [1,0,0,0,0,0|2,0,1]=4 48 B9R0.45 CCCCCSCCC=C Amb25120497 [1,0,0,0,0,0|1,0,2]=4 49 B9R0.45 CCCCCSC\C=C\Cl Amb24457647 [1,0,0,0,0,0|2,0,1]=4 50 B9R0.45 CCCCCS\C=C\CN Amb24482088 [1,0,0,0,0,0|2,0,1]=4 51 B9R0.45 CCCCCS\C=C\CO Amb24414212 [1,0,0,0,0,0|1,0,2]=4 52 B9R0.45 CCCCC\C=C/CC=O Amb22731181 [1,0,0,0,0,0|0,0,1]=2 53 B9R0.45 CCCCC\C=C\C=CCl Amb24561711 [1,0,0,0,0,0|1,0,0]=2 54 B9R0.45 CCCCC\C=C\C=CN Amb25224315 [1,0,0,0,0,0|1,0,0]=2 55 B9R0.45 CCCCC\C=C\CCN Amb25123460 [1,0,0,0,0,0|1,0,2]=4 56 B9R0.45 CCCCC\C=C\N=[N+]=[N-] Amb24564006 [1,0,0,0,0,0|3,0,0]=4 57 B9R0.45 CCCCNC\C=C\C=C Amb24621855 [1,0,0,0,0,0|1,0,1]=3 58 B9R0.45 CCCCSC\C=C\C=O Amb25041125 [1,0,0,0,0,0|1,0,1]=3 59 B9R0.45 CCCC\C=C/C=C/C=O Amb25770096 [1,0,0,0,0,0|0,0,0]=1 60 B9R0.45 CCCC\C=C/CCC=O Amb24477003 [1,0,0,0,0,0|0,0,2]=3 61 B9R0.45 CCCC\C=C\C=C\CO Amb22732540 [1,0,0,0,0,0|0,0,2]=3 62 B9R0.45 CCC\C=C/CCCCC Amb22230436 [1,0,0,0,0,0|0,0,3]=4 63 B9R0.45 CCC\C=C/C\C=C\C=O Amb25325046 [1,0,0,0,0,0|0,0,2]=3 64 B9R0.45 CCC\C=C\CCCCC Amb22231673 [1,0,0,0,0,0|0,0,3]=4 65 B9R0.45 CCC\C=C\C\C=C\C=O Amb18643331 [1,0,0,0,0,0|0,0,2]=3 66 B9R0.45 CCNCC\C=C\CC=C Amb25313982 [1,0,0,0,0,0|1,0,1]=3 67 B9R0.45 CCOC=CCCCCC Amb22227936 [1,0,0,0,0,0|1,0,2]=4 68 B9R0.45 CC\C=C/C=C/C=C/C=O Amb25678603 [1,0,0,0,0,0|0,0,2]=3 69 B9R0.45 CC\C=C/C=C/CCCBr Amb24597283 [1,0,0,0,0,0|2,0,1]=4 70 B9R0.45 CC\C=C/CCCCCC Amb22230427 [1,0,0,0,0,0|0,0,3]=4 71 B9R0.45 CC\C=C/C\C=C/CC=O Amb18643319 [1,0,0,0,0,0|0,0,3]=4 72 B9R0.45 CC\C=C/C\C=C\CC=O Amb25366207 [1,0,0,0,0,0|0,0,3]=4 73 B9R0.45 CC\C=C\C=CCCCBr Amb24656034 [1,0,0,0,0,0|2,0,1]=4 74 B9R0.45 CC\C=C\C=CCCCO Amb24466260 [1,0,0,0,0,0|2,0,1]=4 75 B9R0.45 CC\C=C\CC=CCC=O Amb25242084 [1,0,0,0,0,0|0,0,3]=4 76 B9R0.45 CC\C=C\CCCCCC Amb22231672 [1,0,0,0,0,0|0,0,3]=4 77 B9R0.45 CC\C=C\CC\C=C\C=O Amb18124509 [1,0,0,0,0,0|0,0,3]=4 78 B9R0.45 COCOCC\C=C\C=O Amb25679546 [1,0,0,0,0,0|2,0,1]=4 79 B9R0.45 C\C=C/C=C\CCCCC Amb22641684 [1,0,0,0,0,0|0,0,1]=2 80 B9R0.45 C\C=C\C=C/C=C/CCC Amb22641677 [1,0,0,0,0,0|1,0,1]=3 81 B9R0.45 C\C=C\C=C=CCCCO Amb25058490 [1,0,0,0,0,0|2,0,1]=4 82 B9R0.45 C\C=C\C=CCCCCBr Amb25206214 [1,0,0,0,0,0|1,0,1]=3 83 B9R0.45 C\C=C\C=CCCCCO Amb25238019 [1,0,0,0,0,0|1,0,1]=3 84 B9R0.45 C\C=C\C=COCCCO Amb24474136 [1,0,0,0,0,0|2,0,1]=4 85 B9R0.45 C\C=C\C=C\CCCC=O Amb18643303 [1,0,0,0,0,0|1,0,2]=4 86 B9R0.45 C\C=C\C=C\CNCCN Amb18643660 [1,0,0,0,0,0|2,0,1]=4 87 B9R0.45 C\C=C\CC=CCCCBr Amb25339661 [1,0,0,0,0,0|2,0,1]=4 88 B9R0.45 C\C=C\CCCCCCC Amb22730483 [1,0,0,0,0,0|0,0,3]=4 89 B9R0.45 C\C=C\CCC\C=C\C=O Amb24381698 [1,0,0,0,0,0|0,0,3]=4 90 B9R0.45 C\C=C\C\C=C/CCCBr Amb24713632 [1,0,0,0,0,0|2,0,1]=4 91 B11R0.3 CCCCCCCC\C=C\C=O Amb22045177 [0,1,0,0,0,0|0,0,2]=3 92 B11R0.3 CCCCCC\C=C\C=C\C=O Amb16233007 [0,1,0,0,0,0|0,0,0]=1 93 B11R0.3 CCCCCC\C=C\C=C\CO Amb22732394 [0,1,0,0,0,0|0,0,2]=3 94 B11R0.3 CCCCC\C=C\C=C/C=C\Br Amb20248392 [0,1,0,0,0,0|1,0,0]=2 95 B11R0.4 CCOC(=O)C\C=C\C=C\C=C Amb17618812 [0,1,0,0,0,0|2,0,1]=4 96 B11R0.4 C\C=C\C(=O)OCCCCCC Amb22363334 [0,1,0,0,0,0|2,0,1]=4 97 B11R0.40 CCCCC\C=C\CC(=O)OC Amb10807478 [0,1,0,0,0,0|2,0,1]=4 98 B11R0.148 CCCCCC=CCCC(O)=O Amb24079160 [0,1,0,0,0,0|0,0,2]=3 99 B11R0.148 CCCCCC\C=C/C=C(C)C Amb22546455 [0,1,0,0,0,0|1,0,1]=3 100 B11R0.148 CCCCCC\C=C\CC(=O)O Amb10807476 [0,1,0,0,0,0|0,0,2]=3 101 B11R0.148 CCCCC\C=C\CCC(=O)O Amb17594266 [0,1,0,0,0,0|0,0,2]=3 102 B11R1.4 CCCCCCc1ccco1 Amb22043562 [0,0,0,1,0,0|0,0,2]=3 103 B11R1.4 CCCCCNc1c[s]cc1 Amb25386142 [0,0,0,1,0,0|3,0,0]=4 104 B11R1.4 CCCCN=Cc1c[n]c[nH]1 Amb25386158 [0,0,0,1,0,0|3,0,0]=4 105 B11R1.4 CCCCNCc1ccc[s]1 Amb20673561 [0,0,0,1,0,0|1,1,1]=4 106 B11R1.4 CCCCNCc1ccco1 Amb1140392 [0,0,0,1,0,0|1,0,2]=4 107 B11R1.4 CCCCOCc1ccco1 Amb24054478 [0,0,0,1,0,0|1,0,2]=4 108 B11R1.4 CCCC\N=C\c1[nH]cc[n]1 Amb25386002 [0,0,0,1,0,0|3,0,0]=4 109 B11R1.4 CCCO\N=C\c1ccc[s]1 Amb24755891 [0,0,0,1,0,0|2,1,0]=4 110 B11R1.4 CCCO\N=C\c1ccco1 Amb24755890 [0,0,0,1,0,0|2,0,1]=4 111 B11R1.4 CCOC\C=C\c1ccco1 Amb25383225 [0,0,0,1,0,0|1,0,2]=4 112 B11R1.4 CNCC\N=C\c1ccc[nH]1 Amb24764818 [0,0,0,1,0,0|3,0,0]=4 113 B11R1.4 ClCCCCCc1cccs1 Amb1102003 [0,0,0,1,0,0|1,1,1]=4 114 B11R1.4 NCCC\C=C\c1ccc[s]1 Amb18065470 [0,0,0,1,0,0|1,1,1]=4 115 B11R1.4 NCCC\N=C\c1ccco1 Amb25381976 [0,0,0,1,0,0|2,0,1]=4 116 B11R1.4 O=C\C=C\C=C\C1CCCC1 Amb25834404 [0,0,0,1,0,0|0,0,0]=1 117 B11R1.4 O=C\C=C\C=C\C1SCCS1 Amb24486092 [0,0,0,1,0,0|2,0,0]=3 118 B11R1.4 O=C\C=C\C=C\N1CCCC1 Amb25188843 [0,0,0,1,0,0|1,0,0]=2 119 B11R1.5 CCCC1=CC=CC=CC1=O Amb24645448 [0,0,0,1,0,0|0,0,2]=3 120 B11R1.5 CCOC1=CC=CC=CC1=O Amb24646912 [0,0,0,1,0,0|1,0,2]=4 121 B11R1.17 BrCCCc1ccccc1C Amb17104552 [0,0,0,1,0,0|2,0,1]=4 122 B11R1.17 BrCCCc1ccccc1Cl Amb17104560 [0,0,0,1,0,0|2,0,1]=4 123 B11R1.17 BrCCCc1ccccc1F Amb17104555 [0,0,0,1,0,0|2,0,1]=4 124 B11R1.17 Brc1ccccc1CCCI Amb25329656 [0,0,0,1,0,0|2,0,1]=4 125 B11R1.17 C#CCCN1C=CC=CC1=O Amb24748736 [0,0,0,1,0,0|1,0,2]=4 126 B11R1.17 CC1CCCCC1=NNC=O Amb25750979 [0,0,0,1,0,0|2,0,1]=4 127 B11R1.17 CC1CCCCC1\C=C\C=O Amb24513220 [0,0,0,1,0,0|0,0,2]=3 128 B11R1.17 CCCCC1=CC=CNC1=O Amb25270944 [0,0,0,1,0,0|1,0,1]=3 129 B11R1.17 CCCCC1=CC=NNC1=O Amb24674074 [0,0,0,1,0,0|2,0,1]=4 130 B11R1.17 CCCCC1=CN=CNC1=O Amb25148175 [0,0,0,1,0,0|2,0,1]=4 131 B11R1.17 CCCCC1=NC=CNC1=O Amb25832909 [0,0,0,1,0,0|2,0,1]=4 132 B11R1.17 CCCCC1C=CCCC1=O Amb25066414 [0,0,0,1,0,0|0,0,2]=3 133 B11R1.17 CCCCC1NC=NC=C1Br Amb24421884 [0,0,0,1,0,0|3,0,0]=4 134 B11R1.17 CCCCN1C=CC=CC1=O Amb22739996 [0,0,0,1,0,0|1,0,0]=2 135 B11R1.17 CCCCN1C=CC=CC1=S Amb24415294 [0,0,0,1,0,0|1,1,0]=3 136 B11R1.17 CCCCN1C=CC=CC1S Amb24485984 [0,0,0,1,0,0|1,1,1]=4 137 B11R1.17 CCCCN1C=CC=NC1=O Amb25041666 [0,0,0,1,0,0|2,0,0]=3 138 B11R1.17 CCCCN1C=CN=CC1=O Amb25137324 [0,0,0,1,0,0|2,0,0]=3 139 B11R1.17 CCCCN1C=NC=CC1=O Amb22522708 [0,0,0,1,0,0|2,0,0]=3 140 B11R1.17 CCCC[n+]1ccccc1C Amb25794246 [0,0,0,1,0,0|2,0,0]=3 141 B11R1.17 CCCCc1c[n]ccc1N Amb25785815 [0,0,0,1,0,0|2,0,1]=4 142 B11R1.17 CCCCc1cc[n]cc1Cl Amb24086569 [0,0,0,1,0,0|2,0,1]=4 143 B11R1.17 CCCCc1ccc[n]c1Cl Amb24538109 [0,0,0,1,0,0|2,0,1]=4 144 B11R1.17 CCCCc1ccccc1Br Amb15690808 [0,0,0,1,0,0|1,0,1]=3 145 B11R1.17 CCCCc1ccccc1F Amb24426932 [0,0,0,1,0,0|1,0,1]=3 146 B11R1.17 CCCCc1ccccc1O Amb25744605 [0,0,0,1,0,0|0,0,2]=3 147 B11R1.17 CCCCn1ccccc1=O Amb10553753 [0,0,0,1,0,0|1,0,0]=2 148 B11R1.17 CCCNc1ccccc1O Amb18644480 [0,0,0,1,0,0|1,0,2]=4 149 B11R1.17 CCCOC1=CC=CNC1=O Amb18034627 [0,0,0,1,0,0|2,0,1]=4 150 B11R1.17 CCCOc1ccccc1Cl Amb25216415 [0,0,0,1,0,0|2,0,1]=4 151 B11R1.17 CCCOc1ccccc1F Amb21856719 [0,0,0,1,0,0|2,0,1]=4 152 B11R1.17 CCCOc1ccccc1N Amb1210617 [0,0,0,1,0,0|2,0,1]=4 153 B11R1.17 CCCSc1ccccc1N Amb22588094 [0,0,0,1,0,0|2,0,1]=4 154 B11R1.17 CCCSc1ccccc1O Amb18177881 [0,0,0,1,0,0|1,0,2]=4 155 B11R1.17 CCNCC1=CNC=CC1=O Amb24412918 [0,0,0,1,0,0|2,0,1]=4 156 B11R1.17 CCNCc1ccccc1I Amb21861742 [0,0,0,1,0,0|2,0,1]=4 157 B11R1.17 CCOCN1C=CC=NC1=O Amb24488181 [0,0,0,1,0,0|3,0,0]=4 158 B11R1.17 CCOCN1C=CN=CC1=O Amb24589722 [0,0,0,1,0,0|3,0,0]=4 159 B11R1.17 CCOCc1ccccc1Br Amb22227882 [0,0,0,1,0,0|2,0,1]=4 160 B11R1.17 CCOCc1ccccc1O Amb10560038 [0,0,0,1,0,0|1,0,2]=4 161 B11R1.17 CCO\C=C/1\C=CC=CC1=O Amb24645462 [0,0,0,1,0,0|1,0,2]=4 162 B11R1.17 CCSCN1C=NC=CC1=O Amb24459200 [0,0,0,1,0,0|3,0,0]=4 163 B11R1.17 CCSCc1ccccc1Br Amb22228180 [0,0,0,1,0,0|2,0,1]=4 164 B11R1.17 CCSCc1ccccc1Cl Amb25676288 [0,0,0,1,0,0|2,0,1]=4 165 B11R1.17 CCSCc1ccccc1O Amb18126550 [0,0,0,1,0,0|1,0,2]=4 166 B11R1.17 CNCCN1C=CC=CC1=O Amb18299423 [0,0,0,1,0,0|2,0,0]=3 167 B11R1.17 CNCCN1C=CC=NC1=O Amb18992761 [0,0,0,1,0,0|3,0,0]=4 168 B11R1.17 CNCCN1C=CN=CC1=O Amb25360229 [0,0,0,1,0,0|3,0,0]=4 169 B11R1.17 CNCCN1N=CC=CC1=O Amb18301680 [0,0,0,1,0,0|3,0,0]=4 170 B11R1.17 CNCCc1ccccc1Br Amb18299468 [0,0,0,1,0,0|2,0,1]=4 171 B11R1.17 CNCCc1ccccc1N Amb24106838 [0,0,0,1,0,0|2,0,1]=4 172 B11R1.17 CNCCc1ccccc1O Amb18560895 [0,0,0,1,0,0|1,0,2]=4 173 B11R1.17 COCCC1SC=CNC1=O Amb25242989 [0,0,0,1,0,0|3,0,0]=4 174 B11R1.17 COCCN1C=CC=NC1=O Amb24698491 [0,0,0,1,0,0|3,0,0]=4 175 B11R1.17 COCCN1C=NC=CC1=O Amb24376831 [0,0,0,1,0,0|3,0,0]=4 176 B11R1.17 COCC[n+]1ccccc1Br Amb25072030 [0,0,0,1,0,0|3,0,0]=4 177 B11R1.17 COCC[n+]1ccccc1C Amb24685943 [0,0,0,1,0,0|3,0,0]=4 178 B11R1.17 COCCc1ccccc1Cl Amb24518157 [0,0,0,1,0,0|2,0,1]=4 179 B11R1.17 COCCc1ccccc1I Amb24483388 [0,0,0,1,0,0|2,0,1]=4 180 B11R1.17 COCCc1ccccc1N Amb18992153 [0,0,0,1,0,0|2,0,1]=4 181 B11R1.17 COCCc1ccccc1O Amb22055702 [0,0,0,1,0,0|1,0,2]=4 182 B11R1.17 COCCn1ccccc1=O Amb10707822 [0,0,0,1,0,0|2,0,0]=3 183 B11R1.17 CSCCN1C=CC=CC1=O Amb24488179 [0,0,0,1,0,0|2,0,0]=3 184 B11R1.17 CSCCN1C=CC=NC1=O Amb24393126 [0,0,0,1,0,0|3,0,0]=4 185 B11R1.17 CSCCN1C=NC=CC1=O Amb25367084 [0,0,0,1,0,0|3,0,0]=4 186 B11R1.17 CSCCc1ccccc1Cl Amb25222784 [0,0,0,1,0,0|2,0,1]=4 187 B11R1.17 CSCCc1ccccc1N Amb18299122 [0,0,0,1,0,0|2,0,1]=4 188 B11R1.17 C\C=C\CC1=CCCCC1O Amb25129697 [0,0,0,1,0,0|2,0,1]=4 189 B11R1.17 C\C=C\CC1=CCCC[C@H]1O Amb25333586 [0,0,0,1,0,0|2,0,1]=4 190 B11R1.17 Cc1cc[n]cc1CCCC Amb25075221 [0,0,0,1,0,0|2,0,1]=4 191 B11R1.17 Cc1ccc[n]c1CCCC Amb24062201 [0,0,0,1,0,0|2,0,1]=4 192 B11R1.17 Cc1ccccc1CCCC Amb25825024 [0,0,0,1,0,0|1,0,1]=3 193 B11R1.17 Cc1ccccc1CCNC Amb19959980 [0,0,0,1,0,0|2,0,1]=4 194 B11R1.17 Cc1ccccc1CSCC Amb24690023 [0,0,0,1,0,0|2,0,1]=4 195 B11R1.17 Cc1ccccc1SCCC Amb24674923 [0,0,0,1,0,0|2,0,1]=4 196 B11R1.17 ClCCCc1ccccc1C Amb17104525 [0,0,0,1,0,0|2,0,1]=4 197 B11R1.17 ClCCCc1ccccc1Cl Amb17104533 [0,0,0,1,0,0|2,0,1]=4 198 B11R1.17 ClCCCc1ccccc1F Amb17104528 [0,0,0,1,0,0|2,0,1]=4 199 B11R1.17 ClCCCc1ccccc1N Amb17477710 [0,0,0,1,0,0|2,0,1]=4 200 B11R1.17 ClCCCc1ccccc1O Amb17477721 [0,0,0,1,0,0|1,0,2]=4 201 B11R1.17 ClCCCn1cccnc1=O Amb1139467 [0,0,0,1,0,0|3,0,0]=4 202 B11R1.17 N#CCCN1C=CC=CC1=O Amb18542616 [0,0,0,1,0,0|2,0,1]=4 203 B11R1.17 NCCCN1C=CC=CC1=O Amb18535490 [0,0,0,1,0,0|2,0,0]=3 204 B11R1.17 NCCCN1C=CC=CC1=O Amb19514396 [0,0,0,1,0,0|2,0,0]=3 205 B11R1.17 NCCCN1C=CC=NC1=O Amb18540352 [0,0,0,1,0,0|3,0,0]=4 206 B11R1.17 NCCCN1N=CC=CC1=O Amb18998096 [0,0,0,1,0,0|3,0,0]=4 207 B11R1.17 NCCCc1ccccc1Cl Amb1090913 [0,0,0,1,0,0|2,0,1]=4 208 B11R1.17 NCCCc1ccccc1Cl Amb19373405 [0,0,0,1,0,0|2,0,1]=4 209 B11R1.17 NCCCc1ccccc1F Amb13949158 [0,0,0,1,0,0|2,0,1]=4 210 B11R1.17 NCCCc1ccccc1N Amb17477695 [0,0,0,1,0,0|2,0,1]=4 211 B11R1.17 NNCCN1C=CC=CC1=O Amb24421929 [0,0,0,1,0,0|3,0,0]=4 212 B11R1.17 NOCCN1C=CC=CC1=O Amb22364493 [0,0,0,1,0,0|3,0,0]=4 213 B11R1.17 Nc1ccccc1CCCBr Amb22228093 [0,0,0,1,0,0|2,0,1]=4 214 B11R1.17 Nc1ccccc1CCCBr Amb25217893 [0,0,0,1,0,0|2,0,1]=4 215 B11R1.17 O=C1C=CC=CN1CCCCl Amb18183682 [0,0,0,1,0,0|2,0,0]=3 216 B11R1.17 O=C1C=CC=CN1OCCBr Amb24743344 [0,0,0,1,0,0|3,0,0]=4 217 B11R1.17 O=C1C=CC=NN1CCCCl Amb18180386 [0,0,0,1,0,0|3,0,0]=4 218 B11R1.17 O=C1C=CC=NN1CCCS Amb25051796 [0,0,0,1,0,0|3,0,0]=4 219 B11R1.17 O=C1C=CN=CN1CCCF Amb24488195 [0,0,0,1,0,0|3,0,0]=4 220 B11R1.17 O=C1C=CN=CN1CCCS Amb25792193 [0,0,0,1,0,0|3,0,0]=4 221 B11R1.17 O=C1C=NC=CN1CCCBr Amb25287010 [0,0,0,1,0,0|3,0,0]=4 222 B11R1.17 O=C1N=CC=CN1CCCF Amb24671030 [0,0,0,1,0,0|3,0,0]=4 223 B11R1.17 O=C1N=CC=NC1CCCBr Amb25851292 [0,0,0,1,0,0|3,0,0]=4 224 B11R1.17 O=CCCN1C=CC=CC1=O Amb18177171 [0,0,0,1,0,0|2,0,1]=4 225 B11R1.17 OCCCN1C=CC=CC1=O Amb18041289 [0,0,0,1,0,0|2,0,0]=3 226 B11R1.17 OCCCN1C=CC=NC1=O Amb18177313 [0,0,0,1,0,0|3,0,0]=4 227 B11R1.17 OCCCN1C=NC=CC1=O Amb25771228 [0,0,0,1,0,0|3,0,0]=4 228 B11R1.17 OCCCN1N=CC=CC1=O Amb18179507 [0,0,0,1,0,0|3,0,0]=4 229 B11R1.17 OCCCc1ccccc1Br Amb15692692 [0,0,0,1,0,0|2,0,1]=4 230 B11R1.17 OCCCc1ccccc1C Amb17089494 [0,0,0,1,0,0|2,0,1]=4 231 B11R1.17 OCCCc1ccccc1Cl Amb17089499 [0,0,0,1,0,0|2,0,1]=4 232 B11R1.17 OCCCc1ccccc1F Amb17089496 [0,0,0,1,0,0|2,0,1]=4 233 B11R1.17 OCCCc1ccccc1N Amb17477702 [0,0,0,1,0,0|2,0,1]=4 234 B11R1.17 OCCCc1ccccc1O Amb17477714 [0,0,0,1,0,0|1,0,2]=4 235 B11R1.17 Oc1ccccc1CCCF Amb24100539 [0,0,0,1,0,0|1,0,2]=4 236 B11R1.17 SCCCc1ccccc1Br Amb18070447 [0,0,0,1,0,0|2,0,1]=4 237 B11R1.17 SCCCc1ccccc1C Amb17400218 [0,0,0,1,0,0|2,0,1]=4 238 B11R1.17 SCCCc1ccccc1Cl Amb17401095 [0,0,0,1,0,0|2,0,1]=4 239 B11R1.17 SCCCc1ccccc1F Amb17400332 [0,0,0,1,0,0|2,0,1]=4 240 B11R1.17 Sc1ccccc1CCCBr Amb25196016 [0,0,0,1,0,0|1,1,1]=4 241 B11R1.18 C=CCC[n]1cccc1C=O Amb25383070 [0,0,0,1,0,0|1,0,2]=4 242 B11R1.18 CC#CC[n]1cccc1C=O Amb24467786 [0,0,0,1,0,0|1,0,2]=4 243 B11R1.18 CCC1CCC=C1C=CC=O Amb24628975 [0,0,0,1,0,0|0,0,0]=1 244 B11R1.18 CCC1CCC=C1\C=C\C=O Amb24484724 [0,0,0,1,0,0|0,0,0]=1 245 B11R1.18 CCCC[n]1[n]ccc1C=O Amb22749062 [0,0,0,1,0,0|2,0,0]=3 246 B11R1.18 CCCC[n]1cccc1C#N Amb23148430 [0,0,0,1,0,0|2,0,1]=4 247 B11R1.18 CCCC[n]1cccc1CN Amb21971434 [0,0,0,1,0,0|2,0,1]=4 248 B11R1.18 CCCC[n]1cccc1CO Amb23148084 [0,0,0,1,0,0|1,0,2]=4 249 B11R1.18 CCCCc1cc[s]c1C=O Amb25384316 [0,0,0,1,0,0|1,0,1]=3 250 B11R1.18 CCCCc1ccoc1C=O Amb24762937 [0,0,0,1,0,0|1,0,1]=3 251 B11R1.18 CCCOc1c[s]cc1C=O Amb18126706 [0,0,0,1,0,0|2,0,1]=4 252 B11R1.18 CCCOc1occc1C=O Amb25385648 [0,0,0,1,0,0|2,0,1]=4 253 B11R1.18 CCOC[n]1cccc1C=O Amb24764920 [0,0,0,1,0,0|2,0,0]=3 254 B11R1.18 CC[n]1c[n]cc1\C=C\C=O Amb25189172 [0,0,0,1,0,0|2,0,1]=4 255 B11R1.18 CC[n]1cccc1\C=C\C=O Amb25169585 [0,0,0,1,0,0|1,0,2]=4 256 B11R1.18 COCC[n]1[n]ccc1C=O Amb23568506 [0,0,0,1,0,0|3,0,0]=4 257 B11R1.18 CSCC[n]1cccc1C=O Amb24750526 [0,0,0,1,0,0|2,0,0]=3 258 B11R1.18 C\C=C/C[n]1cccc1C=O Amb25048686 [0,0,0,1,0,0|1,0,2]=4 259 B11R1.18 O=Cc1c[n]c[n]1CCCF Amb24755103 [0,0,0,1,0,0|3,0,0]=4 260 B11R1.18 O=Cc1ccc[n]1CCCCl Amb25385362 [0,0,0,1,0,0|2,0,0]=3 261 B11R1.18 O=Cc1ccc[n]1CCCF Amb24755092 [0,0,0,1,0,0|2,0,0]=3 262 B11R1.18 OCCC[n]1cc[n]c1C=O Amb18182899 [0,0,0,1,0,0|3,0,0]=4 263 B11R1.18 OCCCn1cccc1C=O Amb17116768 [0,0,0,1,0,0|2,0,0]=3 264 B11R1.28 BrCCCCc1cc[n]cc1 Amb24102841 [0,0,0,1,0,0|3,0,0]=4 265 B11R1.28 BrCCCOc1ccccc1 Amb1154134 [0,0,0,1,0,0|3,0,0]=4 266 B11R1.28 BrCCNCc1ccccc1 Amb18131678 [0,0,0,1,0,0|3,0,0]=4 267 B11R1.28 BrC\C=C\C=C1CCCCC1 Amb24700221 [0,0,0,1,0,0|1,0,1]=3 268 B11R1.28 Br[Zn]CCCc1ccccc1 Amb22000503 [0,0,0,1,0,0|3,0,0]=4 269 B11R1.28 C#CCCCc1ccccc1 Amb10071067 [0,0,0,1,0,0|1,0,2]=4 270 B11R1.28 C/C=C/CCc1ccccc1 Amb17940149 [0,0,0,1,0,0|1,0,2]=4 271 B11R1.28 C=CCCCc1ccccc1 Amb24062985 [0,0,0,1,0,0|1,0,2]=4 272 B11R1.28 CC=CCCc1cccc[n]1 Amb24100575 [0,0,0,1,0,0|1,0,2]=4 273 B11R1.28 CC=CCCc1ccccc1 Amb24062987 [0,0,0,1,0,0|1,0,2]=4 274 B11R1.28 CCCC#Cc1cccc[n]1 Amb24070018 [0,0,0,1,0,0|1,0,2]=4 275 B11R1.28 CCCCCN1CC=NC=C1 Amb22231341 [0,0,0,1,0,0|3,0,0]=4 276 B11R1.28 CCCCC[n+]1ccccc1 Amb24754723 [0,0,0,1,0,0|2,0,0]=3 277 B11R1.28 CCCCCc1[n]ccc[n]1 Amb24084930 [0,0,0,1,0,0|2,0,0]=3 278 B11R1.28 CCCCCc1c[n]c[n]c1 Amb24071640 [0,0,0,1,0,0|3,0,0]=4 279 B11R1.28 CCCCCc1cccnc1 Amb17672949 [0,0,0,1,0,0|2,0,0]=3 280 B11R1.28 CCCCCc1ccncc1 Amb17672950 [0,0,0,1,0,0|2,0,0]=3 281 B11R1.28 CCCCNc1cc[n]c[n]1 Amb19011499 [0,0,0,1,0,0|3,0,0]=4 282 B11R1.28 CCCCNc1ccc[n][n]1 Amb18311413 [0,0,0,1,0,0|3,0,0]=4 283 B11R1.28 CCCCOc1c[n]ccc1 Amb25382997 [0,0,0,1,0,0|3,0,0]=4 284 B11R1.28 CCCCOc1cc[n]cc1 Amb25383158 [0,0,0,1,0,0|3,0,0]=4 285 B11R1.28 CCCCSc1cccc[n]1 Amb25383894 [0,0,0,1,0,0|2,0,0]=3 286 B11R1.28 CCCNCc1[n]ccc[n]1 Amb19028643 [0,0,0,1,0,0|3,0,0]=4 287 B11R1.28 CCCNCc1c[n]ccc1 Amb19890575 [0,0,0,1,0,0|3,0,0]=4 288 B11R1.28 CCCNCc1cc[n]c[n]1 Amb18314599 [0,0,0,1,0,0|3,0,0]=4 289 B11R1.28 CCCNCc1cc[n]cc1 Amb19890591 [0,0,0,1,0,0|3,0,0]=4 290 B11R1.28 CCCNCc1cccc[n]1 Amb19890306 [0,0,0,1,0,0|2,0,0]=3 291 B11R1.28 CCCNCc1cccc[n]1 Amb19890563 [0,0,0,1,0,0|2,0,0]=3 292 B11R1.28 CCCNCc1ccccc1 Amb1105937 [0,0,0,1,0,0|2,0,0]=3 293 B11R1.28 CCCSSc1ccccc1 Amb25383743 [0,0,0,1,0,0|3,0,0]=4 294 B11R1.28 CCC\C=C/c1cccc[n]1 Amb24101905 [0,0,0,1,0,0|1,0,2]=4 295 B11R1.28 CCC\C=C\c1cccc[n]1 Amb22170161 [0,0,0,1,0,0|1,0,2]=4 296 B11R1.28 CCC\C=N\c1ccccc1 Amb16231172 [0,0,0,1,0,0|2,0,1]=4 297 B11R1.28 CCNCC[n+]1ccccc1 Amb25383240 [0,0,0,1,0,0|3,0,0]=4 298 B11R1.28 CCNCCc1[n]ccc[n]1 Amb19028710 [0,0,0,1,0,0|3,0,0]=4 299 B11R1.28 CCNCCc1c[n]cc[n]1 Amb24750672 [0,0,0,1,0,0|3,0,0]=4 300 B11R1.28 CCNCCc1c[n]ccc1 Amb18303850 [0,0,0,1,0,0|3,0,0]=4 301 B11R1.28 CCNCCc1ccccc1 Amb2119468 [0,0,0,1,0,0|2,0,0]=3 302 B11R1.28 CCOCC[n+]1ccccc1 Amb24762647 [0,0,0,1,0,0|3,0,0]=4 303 B11R1.28 CCOCNc1ccccc1 Amb25856976 [0,0,0,1,0,0|3,0,0]=4 304 B11R1.28 CCOCSc1cccc[n]1 Amb24762592 [0,0,0,1,0,0|3,0,0]=4 305 B11R1.28 CCOCSc1ccccc1 Amb24762591 [0,0,0,1,0,0|3,0,0]=4 306 B11R1.28 CCONCc1ccccc1 Amb25151184 [0,0,0,1,0,0|3,0,0]=4 307 B11R1.28 CCSCSc1ccccc1 Amb25380606 [0,0,0,1,0,0|3,0,0]=4 308 B11R1.28 CNCCCc1c[n]ccc1 Amb23442716 [0,0,0,1,0,0|3,0,0]=4 309 B11R1.28 CNCCCc1cc[n]cc1 Amb19025185 [0,0,0,1,0,0|3,0,0]=4 310 B11R1.28 CNCCCc1cccc[n]1 Amb18312462 [0,0,0,1,0,0|2,0,0]=3 311 B11R1.28 CNCCCc1ccccc1 Amb21954280 [0,0,0,1,0,0|2,0,0]=3 312 B11R1.28 CNCCNc1cccc[n]1 Amb18313466 [0,0,0,1,0,0|3,0,0]=4 313 B11R1.28 CNCCOc1cccc[n]1 Amb19020802 [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 CNCCSc1cccc[n]1 Amb19024669 [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 COCCCc1c[n]ccc1 Amb25382996 [0,0,0,1,0,0|3,0,0]=4 319 B11R1.28 COCCCc1cc[n]c[n]1 Amb23453461 [0,0,0,1,0,0|3,0,0]=4 320 B11R1.28 COCCCc1cccc[n]1 Amb25383067 [0,0,0,1,0,0|2,0,0]=3 321 B11R1.28 COCCOc1cccc[n]1 Amb24070160 [0,0,0,1,0,0|3,0,0]=4 322 B11R1.28 COCCSc1ccccn1 Amb17760116 [0,0,0,1,0,0|3,0,0]=4 323 B11R1.28 COCNCc1ccccc1 Amb25053350 [0,0,0,1,0,0|3,0,0]=4 324 B11R1.28 CONCCc1cccc[n]1 Amb24763045 [0,0,0,1,0,0|3,0,0]=4 325 B11R1.28 CONCCc1ccccc1 Amb22897018 [0,0,0,1,0,0|3,0,0]=4 326 B11R1.28 CSCCCc1cc[n]cc1 Amb25382938 [0,0,0,1,0,0|3,0,0]=4 327 B11R1.28 CSCCCc1ccccc1 Amb25383748 [0,0,0,1,0,0|2,0,0]=3 328 B11R1.28 CSCCNc1ccccc1 Amb17307504 [0,0,0,1,0,0|3,0,0]=4 329 B11R1.28 CSCSCc1ccccc1 Amb25380610 [0,0,0,1,0,0|3,0,0]=4 330 B11R1.28 C\C=C\C=C/C1CCCCC1 Amb22546610 [0,0,0,1,0,0|1,0,1]=3 331 B11R1.28 C\C=C\C=N\C1CCCCC1 Amb24452526 [0,0,0,1,0,0|2,0,1]=4 332 B11R1.28 ClCCCCc1c[n]ccc1 Amb24762958 [0,0,0,1,0,0|3,0,0]=4 333 B11R1.28 ClCCCCc1cc[n]cc1 Amb20622009 [0,0,0,1,0,0|3,0,0]=4 334 B11R1.28 ClCCCCc1cc[n]cc1 Amb21962609 [0,0,0,1,0,0|3,0,0]=4 335 B11R1.28 ClCCCCc1cccc[n]1 Amb24762960 [0,0,0,1,0,0|2,0,0]=3 336 B11R1.28 ClCCCOc1ccccc1 Amb1128627 [0,0,0,1,0,0|3,0,0]=4 337 B11R1.28 ClCCCSc1ccccc1 Amb1132759 [0,0,0,1,0,0|3,0,0]=4 338 B11R1.28 ClCCNCc1ccccn1 Amb17334832 [0,0,0,1,0,0|3,0,0]=4 339 B11R1.28 Cl[Mg]CCCc1ccccc1 Amb19928784 [0,0,0,1,0,0|3,0,0]=4 340 B11R1.28 Cl\C=C\C=C/C1CCCCC1 Amb25361962 [0,0,0,1,0,0|1,0,1]=3 341 B11R1.28 Cl\C=C\C=CC1CCCCC1 Amb25179242 [0,0,0,1,0,0|1,0,1]=3 342 B11R1.28 FCCCOc1cccc[n]1 Amb24762368 [0,0,0,1,0,0|3,0,0]=4 343 B11R1.28 FCCCOc1ccccc1 Amb22008296 [0,0,0,1,0,0|3,0,0]=4 344 B11R1.28 FCCCSc1cccc[n]1 Amb25382655 [0,0,0,1,0,0|3,0,0]=4 345 B11R1.28 FCCCSc1ccccc1 Amb25382654 [0,0,0,1,0,0|3,0,0]=4 346 B11R1.28 FCCNCc1ccccc1 Amb24611358 [0,0,0,1,0,0|3,0,0]=4 347 B11R1.28 ICCCCc1ccccc1 Amb25380384 [0,0,0,1,0,0|2,0,0]=3 348 B11R1.28 ICCNCc1ccccc1 Amb25188796 [0,0,0,1,0,0|3,0,0]=4 349 B11R1.28 ICCOCc1ccccc1 Amb16191915 [0,0,0,1,0,0|3,0,0]=4 350 B11R1.28 N#CCCCc1ccccn1 Amb1102455 [0,0,0,1,0,0|2,0,1]=4 351 B11R1.28 NCCCCc1[n]ccc[n]1 Amb25385067 [0,0,0,1,0,0|3,0,0]=4 352 B11R1.28 NCCCCc1c[n]cc[n]1 Amb25385068 [0,0,0,1,0,0|3,0,0]=4 353 B11R1.28 NCCCCc1cc[n]c[n]1 Amb18831236 [0,0,0,1,0,0|3,0,0]=4 354 B11R1.28 NCCCCc1cc[n]cc1 Amb17991253 [0,0,0,1,0,0|3,0,0]=4 355 B11R1.28 NCCCCc1ccc[n][n]1 Amb18201561 [0,0,0,1,0,0|3,0,0]=4 356 B11R1.28 NCCCCc1ccccc1 Amb1227740 [0,0,0,1,0,0|2,0,0]=3 357 B11R1.28 NCCCCc1ccccc1 Amb19929939 [0,0,0,1,0,0|2,0,0]=3 358 B11R1.28 NCCCCc1ccccn1 Amb1102767 [0,0,0,1,0,0|2,0,0]=3 359 B11R1.28 NCCCNc1ccccc1 Amb10086594 [0,0,0,1,0,0|3,0,0]=4 360 B11R1.28 NCCCOc1cccc[n]1 Amb19020881 [0,0,0,1,0,0|3,0,0]=4 361 B11R1.28 NCCCOc1ccccc1 Amb1108619 [0,0,0,1,0,0|3,0,0]=4 362 B11R1.28 NCCCSc1ccccc1 Amb1089343 [0,0,0,1,0,0|3,0,0]=4 363 B11R1.28 NCCCSc1ccccc1 Amb2099802 [0,0,0,1,0,0|3,0,0]=4 364 B11R1.28 NCCNCc1ccccn1 Amb17091028 [0,0,0,1,0,0|3,0,0]=4 365 B11R1.28 NCCOCc1cccc[n]1 Amb18181726 [0,0,0,1,0,0|3,0,0]=4 366 B11R1.28 NCCOCc1ccccc1 Amb1081962 [0,0,0,1,0,0|3,0,0]=4 367 B11R1.28 NCCOCc1ccccc1 Amb2137059 [0,0,0,1,0,0|3,0,0]=4 368 B11R1.28 NCNCCc1ccccc1 Amb25385258 [0,0,0,1,0,0|3,0,0]=4 369 B11R1.28 NNCCCc1ccccc1 Amb19373221 [0,0,0,1,0,0|3,0,0]=4 370 B11R1.28 NOCCCc1ccccc1 Amb22231356 [0,0,0,1,0,0|3,0,0]=4 371 B11R1.28 NOCCCc1ccccn1 Amb17089546 [0,0,0,1,0,0|3,0,0]=4 372 B11R1.28 O=CC=C=CC1CCCCC1 Amb25821411 [0,0,0,1,0,0|0,0,2]=3 373 B11R1.28 O=CCCCc1cccc[n]1 Amb22897023 [0,0,0,1,0,0|2,0,1]=4 374 B11R1.28 O=CC\C=C\C1CCCCC1 Amb25240047 [0,0,0,1,0,0|0,0,2]=3 375 B11R1.28 O=CNCC=C1CCCCC1 Amb25040591 [0,0,0,1,0,0|1,0,1]=3 376 B11R1.28 O=C\C=C/C=C1CCCCC1 Amb25325958 [0,0,0,1,0,0|0,0,0]=1 377 B11R1.28 O=C\C=C/SC1CCCCC1 Amb25081076 [0,0,0,1,0,0|1,0,1]=3 378 B11R1.28 O=C\C=C\C=C1CCCCC1 Amb18125172 [0,0,0,1,0,0|0,0,0]=1 379 B11R1.28 O=C\C=C\CC1CCCCC1 Amb24513205 [0,0,0,1,0,0|0,0,2]=3 380 B11R1.28 O=C\C=C\CC1CCCCO1 Amb24577763 [0,0,0,1,0,0|1,0,2]=4 381 B11R1.28 O=C\C=C\CC=1CCCCC1 Amb24486119 [0,0,0,1,0,0|0,0,2]=3 382 B11R1.28 O=C\C=C\NC1CCCCC1 Amb25294301 [0,0,0,1,0,0|1,0,1]=3 383 B11R1.28 O=C\C=C\NC=1CCCCC1 Amb18125296 [0,0,0,1,0,0|1,0,1]=3 384 B11R1.28 O=C\C=C\SC1CCCCC1 Amb25784577 [0,0,0,1,0,0|1,0,1]=3 385 B11R1.28 OCCCCc1c[n]ccc1 Amb22732495 [0,0,0,1,0,0|3,0,0]=4 386 B11R1.28 OCCCCc1cccc[n]1 Amb21520414 [0,0,0,1,0,0|2,0,0]=3 387 B11R1.28 OCCCCc1ccncc1 Amb17740015 [0,0,0,1,0,0|3,0,0]=4 388 B11R1.28 OCCCNc1ccccc1 Amb17307125 [0,0,0,1,0,0|3,0,0]=4 389 B11R1.28 OCCCNc1ccccc1 Amb17772314 [0,0,0,1,0,0|3,0,0]=4 390 B11R1.28 OCCCOc1cccc[n]1 Amb25383036 [0,0,0,1,0,0|3,0,0]=4 391 B11R1.28 OCCNCc1cccc[n]1 Amb21955286 [0,0,0,1,0,0|3,0,0]=4 392 B11R1.28 OCCNCc1ccccc1 Amb1835287 [0,0,0,1,0,0|3,0,0]=4 393 B11R1.28 SCCCCc1c[n]ccc1 Amb18563823 [0,0,0,1,0,0|3,0,0]=4 394 B11R1.28 SCCCCc1cc[n]cc1 Amb18065469 [0,0,0,1,0,0|3,0,0]=4 395 B11R1.28 SCCCCc1cccc[n]1 Amb18563822 [0,0,0,1,0,0|2,0,0]=3 396 B11R1.28 SCCCCc1ccccc1 Amb17400224 [0,0,0,1,0,0|2,0,0]=3 397 B11R1.28 [NH3+]CCCCc1ccccc1 Amb22733934 [0,0,0,1,0,0|2,0,0]=3 398 B11R1.41 BrCCc1ccccc1C=O Amb16231602 [0,0,0,1,0,0|1,0,2]=4 399 B11R1.41 CCCc1[n]cccc1C=O Amb18202077 [0,0,0,1,0,0|1,0,1]=3 400 B11R1.41 CCCc1cc[n]cc1C=O Amb18644394 [0,0,0,1,0,0|1,0,2]=4 401 B11R1.41 CCCc1ccc[n]c1C=O Amb24102500 [0,0,0,1,0,0|1,0,2]=4 402 B11R1.41 CCCc1ccccc1C=O Amb18124934 [0,0,0,1,0,0|0,0,2]=3 403 B11R1.41 CCNc1[n]cccc1C=O Amb18125149 [0,0,0,1,0,0|2,0,1]=4 404 B11R1.41 CCNc1ccccc1C=O Amb18125011 [0,0,0,1,0,0|1,0,2]=4 405 B11R1.41 CCSc1ccccc1C=O Amb18126446 [0,0,0,1,0,0|1,0,2]=4 406 B11R1.41 COCc1ccccc1C=O Amb18644422 [0,0,0,1,0,0|1,0,2]=4 407 B11R1.41 CO[C@H]/1CCCC\C1=C/C=O Amb24612660 [0,0,0,1,0,0|1,0,2]=4 408 B11R1.41 ClCCc1ccccc1C=O Amb17594227 [0,0,0,1,0,0|1,0,2]=4 409 B11R1.41 NCCc1ccccc1C=O Amb24070089 [0,0,0,1,0,0|1,0,2]=4 410 B11R1.41 O=Cc1ccccc1CCF Amb22739039 [0,0,0,1,0,0|1,0,2]=4 411 B11R1.41 OCCc1ccccc1C=O Amb17593729 [0,0,0,1,0,0|1,0,2]=4 412 B11R1.101 O=C1CC=CC#CCCCC1 Amb25797310 [0,0,0,1,0,0|0,0,3]=4 413 B11R1.101 O=C1CCC=CCCCCN1 Amb24486107 [0,0,0,1,0,0|1,0,2]=4 414 B11R1.101 OC1CC=CC=CCCCC1 Amb24463730 [0,0,0,1,0,0|2,0,1]=4 415 B11R1.109 CCC[n]1[n]ccc1CC=O Amb24750674 [0,0,0,1,0,0|2,0,1]=4 416 B11R1.117 Cl\C=C\C1CCCCCC=C1 Amb24634146 [0,0,0,1,0,0|1,0,1]=3 417 B11R1.117 O=CC=C1CCCCCCC1 Amb25040035 [0,0,0,1,0,0|0,0,2]=3 418 B11R1.117 O=CCC1CCCCCC=C1 Amb25075624 [0,0,0,1,0,0|0,0,2]=3 419 B11R1.117 O=CCC=1CCCCCCC1 Amb25236943 [0,0,0,1,0,0|0,0,2]=3 420 B11R1.117 O=C\C=C/1\CCCCCC=C1 Amb24512390 [0,0,0,1,0,0|0,0,0]=1 421 B11R1.180 Brc1[s]ccc1CCCCBr Amb25385414 [0,0,0,1,0,0|3,0,0]=4 422 B11R1.180 CCCCCC1CC=CC1=O Amb17843926 [0,0,0,1,0,0|0,0,2]=3 423 B11R1.180 CCCCCN1C=CNC1=S Amb18039837 [0,0,0,1,0,0|2,1,0]=4 424 B11R1.180 CCCCC[n]1[n]ccc1N Amb19013656 [0,0,0,1,0,0|3,0,0]=4 425 B11R1.180 CCCCC[n]1cc[n]c1N Amb19013658 [0,0,0,1,0,0|3,0,0]=4 426 B11R1.180 CCCCCc1[n]c[s]c1N Amb18185660 [0,0,0,1,0,0|3,0,0]=4 427 B11R1.180 CCCCCc1[s]ccc1N Amb24766529 [0,0,0,1,0,0|2,0,0]=3 428 B11R1.180 CCCCCc1c[n]oc1Br Amb22584329 [0,0,0,1,0,0|3,0,0]=4 429 B11R1.180 CCCCCn1ccnc1Br Amb17404677 [0,0,0,1,0,0|3,0,0]=4 430 B11R1.180 CCCCCn1ccnc1C Amb10574359 [0,0,0,1,0,0|3,0,0]=4 431 B11R1.180 CCCNCc1c[s]cc1Br Amb25380434 [0,0,0,1,0,0|3,0,0]=4 432 B11R1.180 CCCNCc1ccc[n]1C Amb19890260 [0,0,0,1,0,0|3,0,0]=4 433 B11R1.180 CCCNCc1ccoc1Cl Amb25380334 [0,0,0,1,0,0|3,0,0]=4 434 B11R1.180 CCCNCc1occc1Br Amb24750671 [0,0,0,1,0,0|3,0,0]=4 435 B11R1.180 CCNCC[n]1cccc1C Amb24764565 [0,0,0,1,0,0|3,0,0]=4 436 B11R1.180 CCNCCc1[s]ccc1Br Amb18312587 [0,0,0,1,0,0|3,0,0]=4 437 B11R1.180 CCNCCc1c[s]cc1Br Amb25380432 [0,0,0,1,0,0|3,0,0]=4 438 B11R1.180 CCNCCc1cc[s]c1Cl Amb25385547 [0,0,0,1,0,0|3,0,0]=4 439 B11R1.180 CCOCCC1=CCCC1=O Amb24765018 [0,0,0,1,0,0|1,0,2]=4 440 B11R1.180 CCOCC[n]1cccc1C Amb24764862 [0,0,0,1,0,0|3,0,0]=4 441 B11R1.180 CCSCCN1C=CNC1=O Amb24762209 [0,0,0,1,0,0|3,0,0]=4 442 B11R1.180 CNCCCc1[s]ccc1Br Amb18312782 [0,0,0,1,0,0|3,0,0]=4 443 B11R1.180 CNCCCc1c[s]cc1Br Amb25380433 [0,0,0,1,0,0|3,0,0]=4 444 B11R1.180 CNCCCc1cc[s]c1Cl Amb25385548 [0,0,0,1,0,0|3,0,0]=4 445 B11R1.180 COCCCN1OC=CC1=O Amb25382898 [0,0,0,1,0,0|3,0,0]=4 446 B11R1.180 Cc1[nH]ccc1CCCCC Amb25385264 [0,0,0,1,0,0|2,0,0]=3 447 B11R1.180 Cc1[nH]ccc1CNCCC Amb25380111 [0,0,0,1,0,0|3,0,0]=4 448 B11R1.180 Cc1[s]ccc1CCCNC Amb24755202 [0,0,0,1,0,0|3,0,0]=4 449 B11R1.180 Cc1[s]ccc1CNCCC Amb24755201 [0,0,0,1,0,0|3,0,0]=4 450 B11R1.180 Cc1cc[s]c1CCCCN Amb18198972 [0,0,0,1,0,0|3,0,0]=4 451 B11R1.180 Cc1cc[s]c1CCCNC Amb24751259 [0,0,0,1,0,0|3,0,0]=4 452 B11R1.180 Cc1cc[s]c1CNCCC Amb19890330 [0,0,0,1,0,0|3,0,0]=4 453 B11R1.180 Cc1ccoc1CCCCCl Amb24766215 [0,0,0,1,0,0|3,0,0]=4 454 B11R1.180 Cc1ccoc1CCCCN Amb18200982 [0,0,0,1,0,0|3,0,0]=4 455 B11R1.180 Cc1cocc1CCCNC Amb24764634 [0,0,0,1,0,0|3,0,0]=4 456 B11R1.180 Cc1cocc1CCNCC Amb24764633 [0,0,0,1,0,0|3,0,0]=4 457 B11R1.180 NCCCCc1[s]ccc1Cl Amb18189516 [0,0,0,1,0,0|3,0,0]=4 458 B11R1.180 NCCCCc1occc1Cl Amb18197846 [0,0,0,1,0,0|3,0,0]=4 459 B11R1.180 O=C1NC=CN1CCCCF Amb24750795 [0,0,0,1,0,0|3,0,0]=4 460 B11R1.180 OCCCCC1CC=CC1=O Amb24766863 [0,0,0,1,0,0|1,0,2]=4 461 B11R1.190 CCCCC\C=C/1\CCC1=O Amb24765435 [0,0,0,1,0,0|0,0,2]=3 462 B11R1.203 O=CCCC=1CCCCCC1 Amb25277245 [0,0,0,1,0,0|0,0,2]=3 463 B11R1.203 O=C\C=C\C1CCCCCC1 Amb25149219 [0,0,0,1,0,0|0,0,2]=3 464 B11R1.203 OCCCC1CCC=CC=C1 Amb25058570 [0,0,0,1,0,0|2,0,1]=4 465 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]=4 466 B11R1.229 C=C\C=C\C=CC1CC1C=O Amb25383923 [0,0,0,1,0,0|2,0,1]=4 467 B11R1.248 O=CC=1CCCCCCCC1 Amb25172766 [0,0,0,1,0,0|0,0,2]=3 468 B8R0.4 C=CCCC\C=C\C=O Amb25243082 [2,0,0,0,0,0|0,0,2]=4 469 B8R0.4 C=CC\C=C\C=C/C=O Amb18642058 [2,0,0,0,0,0|0,0,2]=4 470 B8R0.4 C=CC\C=C\C=CC=O Amb25259279 [2,0,0,0,0,0|0,0,2]=4 471 B8R0.4 C=CC\C=C\C=C\C=O Amb25772895 [2,0,0,0,0,0|0,0,2]=4 472 B8R0.4 C=CC\C=C\CCCBr Amb25241221 [2,0,0,0,0,0|1,0,1]=4 473 B8R0.4 C=CC\C=C\CCCCl Amb24584660 [2,0,0,0,0,0|1,0,1]=4 474 B8R0.4 C=CC\C=C\CCCO Amb25845279 [2,0,0,0,0,0|1,0,1]=4 475 B8R0.4 C=C\C=C\CCCC=O Amb18642211 [2,0,0,0,0,0|1,0,1]=4 476 B8R0.4 C=C\C=C\CCCCBr Amb24693997 [2,0,0,0,0,0|1,0,0]=3 477 B8R0.4 C=C\C=C\CCCCCl Amb25107305 [2,0,0,0,0,0|1,0,0]=3 478 B8R0.4 C=C\C=C\CCCCN Amb18642357 [2,0,0,0,0,0|1,0,0]=3 479 B8R0.4 C=C\C=C\OCCCO Amb25332487 [2,0,0,0,0,0|2,0,0]=4 480 B8R0.4 CC#C\C=C\C=CC=O Amb25328891 [2,0,0,0,0,0|0,0,2]=4 481 B8R0.4 CC#C\C=C\C=C\C=O Amb25762282 [2,0,0,0,0,0|0,0,2]=4 482 B8R0.4 CC=CC=CC=CC=O Amb24632185 [2,0,0,0,0,0|0,0,2]=4 483 B8R0.4 CC=CC=CCCCC Amb22228349 [2,0,0,0,0,0|0,0,1]=3 484 B8R0.4 CC=C\C=C\CCCC Amb24558323 [2,0,0,0,0,0|0,0,1]=3 485 B8R0.4 CCC#CC\C=C\C=O Amb24666803 [2,0,0,0,0,0|0,0,2]=4 486 B8R0.4 CCCC#C\C=C\C=O Amb25108334 [2,0,0,0,0,0|0,0,2]=4 487 B8R0.4 CCCCC/C=C/CBr Amb17666913 [2,0,0,0,0,0|1,0,1]=4 488 B8R0.4 CCCCCC#CC=C Amb17940382 [2,0,0,0,0,0|0,0,2]=4 489 B8R0.4 CCCCCCOC=C Amb24440550 [2,0,0,0,0,0|1,0,1]=4 490 B8R0.4 CCCCCC\C=C\Br Amb24677708 [2,0,0,0,0,0|1,0,1]=4 491 B8R0.4 CCCCCC\C=C\Cl Amb24697939 [2,0,0,0,0,0|1,0,1]=4 492 B8R0.4 CCCCCC\C=C\I Amb24446897 [2,0,0,0,0,0|1,0,1]=4 493 B8R0.4 CCCCCOCC=C Amb22230169 [2,0,0,0,0,0|1,0,1]=4 494 B8R0.4 CCCCCSCC=O Amb25113339 [2,0,0,0,0,0|1,0,1]=4 495 B8R0.4 CCCCC\C=C/C=O Amb24419726 [2,0,0,0,0,0|0,0,0]=2 496 B8R0.4 CCCCC\C=C/CC Amb22730456 [2,0,0,0,0,0|0,0,2]=4 497 B8R0.4 CCCCC\C=C\C#N Amb18642132 [2,0,0,0,0,0|1,0,1]=4 498 B8R0.4 CCCCC\C=C\C=C Amb22641683 [2,0,0,0,0,0|0,0,0]=2 499 B8R0.4 CCCCC\C=C\CCl Amb24597697 [2,0,0,0,0,0|1,0,1]=4 500 B8R0.4 CCCCC\C=C\CN Amb18642556 [2,0,0,0,0,0|1,0,1]=4 501 B8R0.4 CCCCN\C=C\C=O Amb25175069 [2,0,0,0,0,0|1,0,0]=3 502 B8R0.4 CCCCO\C=C\C=O Amb24480362 [2,0,0,0,0,0|1,0,0]=3 503 B8R0.4 CCCC\C=C\C=C/Br Amb24480294 [2,0,0,0,0,0|1,0,0]=3 504 B8R0.4 CCCC\C=C\C=CBr Amb24580369 [2,0,0,0,0,0|1,0,0]=3 505 B8R0.4 CCCC\C=C\C=C\Cl Amb24479953 [2,0,0,0,0,0|1,0,0]=3 506 B8R0.4 CCCC\C=C\CC=O Amb18642464 [2,0,0,0,0,0|0,0,1]=3 507 B8R0.4 CCCC\C=C\N=C=O Amb25694711 [2,0,0,0,0,0|1,0,1]=4 508 B8R0.4 CCC\C=C/CCC=O Amb18642474 [2,0,0,0,0,0|0,0,2]=4 509 B8R0.4 CCC\C=C\C=C/CN Amb10560986 [2,0,0,0,0,0|1,0,1]=4 510 B8R0.4 CCC\C=C\C=CCBr Amb24739824 [2,0,0,0,0,0|1,0,1]=4 511 B8R0.4 CCC\C=C\C=CCCl Amb24529177 [2,0,0,0,0,0|1,0,1]=4 512 B8R0.4 CCC\C=C\C=CCO Amb24539762 [2,0,0,0,0,0|0,0,2]=4 513 B8R0.4 CCC\C=C\C=C\C=C Amb22641675 [2,0,0,0,0,0|0,0,1]=3 514 B8R0.4 CCC\C=C\C=C\CO Amb22053869 [2,0,0,0,0,0|0,0,2]=4 515 B8R0.4 CCC\C=C\CCC=O Amb24557533 [2,0,0,0,0,0|0,0,2]=4 516 B8R0.4 CCC\C=C\CNC=O Amb25145638 [2,0,0,0,0,0|1,0,1]=4 517 B8R0.4 CCC\C=C\COC=O Amb22231662 [2,0,0,0,0,0|1,0,1]=4 518 B8R0.4 CCO\C=C\C=CC=O Amb24587787 [2,0,0,0,0,0|1,0,0]=3 519 B8R0.4 CCO\C=C\C=C\C=O Amb25054124 [2,0,0,0,0,0|1,0,0]=3 520 B8R0.4 CC\C=C/CCCCC Amb25258581 [2,0,0,0,0,0|0,0,2]=4 521 B8R0.4 CC\C=C\CC=CC=O Amb25264841 [2,0,0,0,0,0|0,0,2]=4 522 B8R0.4 CC\C=C\CCCCC Amb22347893 [2,0,0,0,0,0|0,0,2]=4 523 B8R0.4 CC\C=C\NC=CC=O Amb25175085 [2,0,0,0,0,0|1,0,1]=4 524 B8R0.4 CC\C=C\N\C=C/C=O Amb18642305 [2,0,0,0,0,0|1,0,1]=4 525 B8R0.4 C\C=C/CCCCCC Amb22730637 [2,0,0,0,0,0|0,0,2]=4 526 B8R0.4 C\C=C\C=CCCCBr Amb24697800 [2,0,0,0,0,0|1,0,1]=4 527 B8R0.4 C\C=C\C=CCCCN Amb25261065 [2,0,0,0,0,0|1,0,1]=4 528 B8R0.4 C\C=C\C=C\C=C\C=O Amb17593248 [2,0,0,0,0,0|0,0,2]=4 529 B8R0.4 C\C=C\C=C\CCCC Amb24477896 [2,0,0,0,0,0|0,0,1]=3 530 B8R0.4 C\C=C\C=C\CCCO Amb17593323 [2,0,0,0,0,0|1,0,1]=4 531 B8R0.4 C\C=C\C=C\CNCC Amb24714676 [2,0,0,0,0,0|1,0,1]=4 532 B8R0.4 C\C=C\CCCCCC Amb19930200 [2,0,0,0,0,0|0,0,2]=4 533 B8R0.4 C\C=C\CC\C=C\C=O Amb18642215 [2,0,0,0,0,0|0,0,2]=4 534 B8R0.4 O=CCCC\C=C\C=O Amb24641347 [2,0,0,0,0,0|1,0,1]=4 535 B8R0.4 O=C\C=C/C=C\CC=O Amb24496324 [2,0,0,0,0,0|1,0,1]=4 536 B10R0.1 CCCCC#C\C(=C\C=O)\C Amb17593743 [1,1,0,0,0,0|0,0,2]=4 537 B10R0.4 C#CCC\C=C\C=C\C(O)=O Amb25382139 [1,1,0,0,0,0|0,0,2]=4 538 B10R0.4 CC(=O)N\C=C\CCCCO Amb25385775 [1,1,0,0,0,0|2,0,0]=4 539 B10R0.4 CC(C)C=CC=CC=CC=O Amb25383530 [1,1,0,0,0,0|0,0,2]=4 540 B10R0.4 CC(C)\C=C\C=C\C=C\C=O Amb25384756 [1,1,0,0,0,0|0,0,2]=4 541 B10R0.4 CCCCC#C\C=C/C(N)=O Amb24726172 [1,1,0,0,0,0|0,0,2]=4 542 B10R0.4 CCCCC#C\C=C\C(C)=O Amb25712227 [1,1,0,0,0,0|0,0,2]=4 543 B10R0.4 CCCCCC\C=C\C(C)=C Amb22546604 [1,1,0,0,0,0|0,0,1]=3 544 B10R0.4 CCCCCC\C=C\C(C)=O Amb22052629 [1,1,0,0,0,0|0,0,1]=3 545 B10R0.4 CCCCC\C=C/NC(C)=O Amb24766540 [1,1,0,0,0,0|1,0,0]=3 546 B10R0.4 CCCCC\C=C\C=C(C)C Amb22546758 [1,1,0,0,0,0|0,0,1]=3 547 B10R0.4 CCCCC\C=C\CC(=O)O Amb17593915 [1,1,0,0,0,0|0,0,1]=3 548 B10R0.4 CCCC\C=C/C#CC(C)=O Amb25271006 [1,1,0,0,0,0|0,0,2]=4 549 B10R0.4 CCCC\C=C\COC(C)=O Amb22730256 [1,1,0,0,0,0|1,0,1]=4 550 B10R0.4 CCC\C=C\C=C/C=C(C)C Amb22546608 [1,1,0,0,0,0|1,0,1]=4 551 B10R0.74 CCCCCC#CC(=O)C=C Amb17593739 [1,1,0,0,0,0|0,0,2]=4 552 B10R0.74 CCCCCC=CC(=O)OC Amb24066773 [1,1,0,0,0,0|1,0,1]=4 553 B10R0.74 CCCCCCCC(=O)C=C Amb10562277 [1,1,0,0,0,0|0,0,2]=4 554 B10R0.74 CCCCCCOC(=O)C=O Amb17614962 [1,1,0,0,0,0|1,0,1]=4 555 B10R0.74 CCCCC\C=C/C(C)C=C Amb22546637 [1,1,0,0,0,0|0,0,1]=3 556 B10R0.91 CCCCCC(O)\C=C\C=O Amb19930456 [1,1,0,0,0,0|0,0,1]=3 557 B12R0.5 CCCCCCCCC\C=C\C=O Amb22351858 [0,2,0,0,0,0|0,0,2]=4 558 B12R0.5 CCCCCCCC\C=C\CC=O Amb22735030 [0,2,0,0,0,0|0,0,2]=4 559 B12R0.5 CCCCCCC\C=C\C=C\C=O Amb22045171 [0,2,0,0,0,0|0,0,0]=2 560 B12R0.5 CCCCC\C=C/CC\C=C\C=O Amb22348277 [0,2,0,0,0,0|0,0,0]=2 561 B12R0.234 CCCCCCCC/C=C/C(O)=O Amb17942922 [0,2,0,0,0,0|0,0,2]=4 562 B12R0.234 CCCCCCC\C=C\CC(C)=O Amb21963229 [0,2,0,0,0,0|0,0,2]=4 563 B12R0.234 CCCCCC\C=C\COC(C)=O Amb22231667 [0,2,0,0,0,0|0,0,2]=4 564 B12R0.234 CCCCC\C=C/CCC=C(F)F Amb22436926 [0,2,0,0,0,0|1,0,1]=4 565 B12R0.234 CCCCC\C=C\CCC=C(F)F Amb22436927 [0,2,0,0,0,0|1,0,1]=4 566 B12R0.248 CCCCC\C=C/CCC(=O)OC Amb24093816 [0,2,0,0,0,0|0,0,2]=4 567 B12R0.248 CCCCC\C=C\C=C\C(=O)OC Amb10068527 [0,2,0,0,0,0|0,0,0]=2 568 B12R0.248 CCC\C=C/C=C/C=C/C(=O)OC Amb21964531 [0,2,0,0,0,0|0,0,2]=4 569 B12R0.4 CCCCC\C=C\C(O)CC(O)=O Amb22831933 [0,2,0,0,0,0|0,0,2]=4 570 B12R0.49 CCCCC\C=C\C(\C)=C(/C)\C=O Amb24087697 [0,2,0,0,0,0|0,0,0]=2 571 B12R0.255 COCCCNC(=O)\C=C/C(=O)O Amb1235274 [0,2,0,0,0,0|2,0,0]=4 572 B12R0.233 CCCCNC(=O)N\C=C\C(O)=O Amb22960382 [0,2,0,0,0,0|2,0,0]=4 573 B10R1.4 C=CCC1=CCCCC1Cl Amb25211265 [1,0,0,1,0,0|1,0,1]=4 574 B10R1.4 C=CCC1=CCCCC1O Amb25697569 [1,0,0,1,0,0|1,0,1]=4 575 B10R1.4 C=C\C=C\1/CCCCC1O Amb25098558 [1,0,0,1,0,0|1,0,1]=4 576 B10R1.4 CC/1CCC=C\C1=C\C=O Amb24668963 [1,0,0,1,0,0|0,0,0]=2 577 B10R1.4 CC/1CCCC\C1=C\C=O Amb18643299 [1,0,0,1,0,0|0,0,1]=3 578 B10R1.4 CC/1NCCC\C1=C/C=C Amb24604713 [1,0,0,1,0,0|1,0,1]=4 579 B10R1.4 CC1CCC=CC1=CC=O Amb24637330 [1,0,0,1,0,0|0,0,0]=2 580 B10R1.4 CCCC1SC=CNC1=O Amb24356094 [1,0,0,1,0,0|2,0,0]=4 581 B10R1.4 CCCN1C=CC=CC1=O Amb22730334 [1,0,0,1,0,0|1,0,0]=3 582 B10R1.4 CCCN1C=CC=CC1=S Amb24480486 [1,0,0,1,0,0|1,1,0]=4 583 B10R1.4 CCCN1C=NC=CC1=O Amb24453560 [1,0,0,1,0,0|2,0,0]=4 584 B10R1.4 CCC[n+]1ccccc1C Amb25326000 [1,0,0,1,0,0|2,0,0]=4 585 B10R1.4 CCCc1ccccc1I Amb20622716 [1,0,0,1,0,0|1,0,1]=4 586 B10R1.4 CN/1CCCC\C1=C/C=O Amb25279299 [1,0,0,1,0,0|1,0,1]=4 587 B10R1.4 CN/1CCCC\C1=C\C=O Amb18643454 [1,0,0,1,0,0|1,0,1]=4 588 B10R1.4 C[C@H]/1CCCC\C1=C/C=O Amb25300436 [1,0,0,1,0,0|0,0,1]=3 589 B10R1.4 C[C@H]/1CCCC\C1=C\C=O Amb25289218 [1,0,0,1,0,0|0,0,1]=3 590 B10R1.4 Cc1ccccc1CCC Amb22227985 [1,0,0,1,0,0|1,0,1]=4 591 B10R1.4 NCCN1C=CC=CC1=O Amb18535437 [1,0,0,1,0,0|2,0,0]=4 592 B10R1.4 NCCN1C=CC=CC1=O Amb19514535 [1,0,0,1,0,0|2,0,0]=4 593 B10R1.4 NCCN1C=CC=CC1=O Amb20668789 [1,0,0,1,0,0|2,0,0]=4 594 B10R1.4 O=C1C=CC=CN1CCBr Amb19514604 [1,0,0,1,0,0|2,0,0]=4 595 B10R1.4 O=C1C=CC=CN1CCCl Amb18787739 [1,0,0,1,0,0|2,0,0]=4 596 B10R1.4 O=c1cccc[n]1CCCl Amb22274576 [1,0,0,1,0,0|2,0,0]=4 597 B10R1.4 OCCN1C=CC=CC1=O Amb18041231 [1,0,0,1,0,0|2,0,0]=4 598 B10R1.5 CCCC1SCC=C1C=O Amb25145565 [1,0,0,1,0,0|1,0,1]=4 599 B10R1.5 CCCc1cc[s]c1C=O Amb24479216 [1,0,0,1,0,0|1,0,1]=4 600 B10R1.5 CCN/1CCC\C1=C\C=O Amb24443695 [1,0,0,1,0,0|1,0,1]=4 601 B10R1.5 COC1CC=CC1=CC=O Amb24101120 [1,0,0,1,0,0|1,0,0]=3 602 B10R1.5 COC[n]1cccc1C=O Amb18643381 [1,0,0,1,0,0|2,0,0]=4 603 B10R1.5 O=Cc1ccc[n]1CCCl Amb18644971 [1,0,0,1,0,0|2,0,0]=4 604 B10R1.5 OCCn1cccc1C=O Amb17116748 [1,0,0,1,0,0|2,0,0]=4 605 B10R1.7 CC1CCC=CCCC1=O Amb25146649 [1,0,0,1,0,0|0,0,2]=4 606 B10R1.7 CC1CCCOC=CC1=O Amb25825200 [1,0,0,1,0,0|1,0,0]=3 607 B10R1.7 O=C1CCC=CC=CC1=O Amb25146811 [1,0,0,1,0,0|1,0,1]=4 608 B10R1.17 CCCCC1C=CC=CN1 Amb25721630 [1,0,0,1,0,0|1,0,0]=3 609 B10R1.17 CCCCc1[n]ccc[n]1 Amb24104101 [1,0,0,1,0,0|2,0,0]=4 610 B10R1.17 CCCCc1cc[n]c[n]1 Amb24091332 [1,0,0,1,0,0|2,0,0]=4 611 B10R1.17 CCCCc1ccc[n][n]1 Amb22235740 [1,0,0,1,0,0|2,0,0]=4 612 B10R1.17 CCCCc1ccccn1 Amb10574134 [1,0,0,1,0,0|1,0,0]=3 613 B10R1.17 CCCCc1ccncc1 Amb10555008 [1,0,0,1,0,0|1,0,1]=4 614 B10R1.17 CCCNc1ccccc1 Amb22284540 [1,0,0,1,0,0|1,0,1]=4 615 B10R1.17 CCCOc1cccc[n]1 Amb24096899 [1,0,0,1,0,0|2,0,0]=4 616 B10R1.17 CCCSc1cccc[n]1 Amb24733306 [1,0,0,1,0,0|2,0,0]=4 617 B10R1.17 CNCCc1cccc[n]1 Amb22167479 [1,0,0,1,0,0|2,0,0]=4 618 B10R1.17 CNCCc1ccccc1 Amb1132990 [1,0,0,1,0,0|1,0,1]=4 619 B10R1.17 CNCCc1ccccc1 Amb2119452 [1,0,0,1,0,0|1,0,1]=4 620 B10R1.17 CNCCc1ccccn1 Amb1651624 [1,0,0,1,0,0|2,0,0]=4 621 B10R1.17 COCC[n+]1ccccc1 Amb10554471 [1,0,0,1,0,0|2,0,0]=4 622 B10R1.17 COCCc1cccc[n]1 Amb24089662 [1,0,0,1,0,0|2,0,0]=4 623 B10R1.17 CSCCc1cccc[n]1 Amb24552366 [1,0,0,1,0,0|2,0,0]=4 624 B10R1.17 ClCCC[n+]1ccccc1 Amb24487853 [1,0,0,1,0,0|2,0,0]=4 625 B10R1.17 ClCCCc1ccccn1 Amb17477793 [1,0,0,1,0,0|2,0,0]=4 626 B10R1.17 FCCCc1ccccc1 Amb25737014 [1,0,0,1,0,0|1,0,1]=4 627 B10R1.17 ICCCc1ccccc1 Amb10605506 [1,0,0,1,0,0|1,0,1]=4 628 B10R1.17 NCCCc1cccc[n]1 Amb21954278 [1,0,0,1,0,0|2,0,0]=4 629 B10R1.17 NCCCc1ccccc1 Amb22490482 [1,0,0,1,0,0|1,0,1]=4 630 B10R1.17 NCCCc1ccccn1 Amb1088884 [1,0,0,1,0,0|2,0,0]=4 631 B10R1.17 O=CC#CC=1CCCCC1 Amb25248695 [1,0,0,1,0,0|0,0,2]=4 632 B10R1.17 O=CC=C=C1CCCCC1 Amb17593457 [1,0,0,1,0,0|0,0,1]=3 633 B10R1.17 O=CCC=C1CCCCC1 Amb24435383 [1,0,0,1,0,0|0,0,1]=3 634 B10R1.17 O=CCCC=1CCCCC1 Amb25772939 [1,0,0,1,0,0|0,0,2]=4 635 B10R1.17 O=C\C=C/C1CCCCC1 Amb25780132 [1,0,0,1,0,0|0,0,1]=3 636 B10R1.17 O=C\C=C\C1CCCCC1 Amb18643296 [1,0,0,1,0,0|0,0,1]=3 637 B10R1.17 O=C\C=C\C1CCCCO1 Amb24478373 [1,0,0,1,0,0|1,0,1]=4 638 B10R1.17 O=C\C=C\C1CCOCC1 Amb25229916 [1,0,0,1,0,0|1,0,1]=4 639 B10R1.17 O=C\C=C\C1CCSCC1 Amb24587287 [1,0,0,1,0,0|1,0,1]=4 640 B10R1.17 O=C\C=C\C1CSCCC1 Amb24358214 [1,0,0,1,0,0|1,0,1]=4 641 B10R1.17 O=C\C=C\C=1CCCCC1 Amb18643092 [1,0,0,1,0,0|0,0,0]=2 642 B10R1.17 O=C\C=C\N1CCOCC1 Amb25125289 [1,0,0,1,0,0|2,0,0]=4 643 B10R1.17 OCCCc1cccc[n]1 Amb22749323 [1,0,0,1,0,0|2,0,0]=4 644 B10R1.17 SCCCc1ccccn1 Amb17399950 [1,0,0,1,0,0|2,0,0]=4 645 B10R1.17 [SiH3]CCCc1ccccc1 Amb22347053 [1,0,0,1,0,0|0,1,1]=4 646 B10R1.19 C=CC1=CCCCCC1O Amb25769382 [1,0,0,1,0,0|1,0,1]=4 647 B10R1.19 C=CC1=CCCCC[C@H]1O Amb25284362 [1,0,0,1,0,0|1,0,1]=4 648 B10R1.19 CCC1=CC=CC=CC1=O Amb24421728 [1,0,0,1,0,0|0,0,2]=4 649 B10R1.19 CC[C@@H]1CC=CCCC1=O Amb25273010 [1,0,0,1,0,0|0,0,2]=4 650 B10R1.19 COC1CC=CC=CC1=O Amb25793022 [1,0,0,1,0,0|1,0,0]=3 651 B10R1.20 C=CC1C=CCCC1CCl Amb25368402 [1,0,0,1,0,0|1,0,1]=4 652 B10R1.20 CCc1[n]cccc1C=O Amb18642999 [1,0,0,1,0,0|1,0,1]=4 653 B10R1.20 COC1CCCC=C1C=O Amb24480532 [1,0,0,1,0,0|1,0,1]=4 654 B10R1.21 BrCCCCc1ccc[s]1 Amb25085582 [1,0,0,1,0,0|1,1,0]=4 655 B10R1.21 BrCCCCc1ccco1 Amb24477250 [1,0,0,1,0,0|1,0,1]=4 656 B10R1.21 BrCCCCc1cocc1 Amb25187235 [1,0,0,1,0,0|2,0,0]=4 657 B10R1.21 C=C\C=C\CC1CCCC1 Amb24387886 [1,0,0,1,0,0|0,0,1]=3 658 B10R1.21 CCCCC[n]1c[n]cc1 Amb20247958 [1,0,0,1,0,0|2,0,0]=4 659 B10R1.21 CCCCC[n]1ccc[n]1 Amb25111697 [1,0,0,1,0,0|2,0,0]=4 660 B10R1.21 CCCCCc1[nH]cc[n]1 Amb25131865 [1,0,0,1,0,0|2,0,0]=4 661 B10R1.21 CCCCCc1[n]cc[s]1 Amb25297177 [1,0,0,1,0,0|1,1,0]=4 662 B10R1.21 CCCCCc1c[nH][n]c1 Amb24524597 [1,0,0,1,0,0|2,0,0]=4 663 B10R1.21 CCCCCc1c[n]c[nH]1 Amb24479064 [1,0,0,1,0,0|2,0,0]=4 664 B10R1.21 CCCCCc1c[n]c[s]1 Amb24071639 [1,0,0,1,0,0|1,1,0]=4 665 B10R1.21 CCCCCc1c[s]c[n]1 Amb24070599 [1,0,0,1,0,0|2,0,0]=4 666 B10R1.21 CCCCCc1c[s]cc1 Amb20621787 [1,0,0,1,0,0|1,0,0]=3 667 B10R1.21 CCCCSc1ccc[nH]1 Amb24482046 [1,0,0,1,0,0|2,0,0]=4 668 B10R1.21 CCCCSc1ccc[s]1 Amb24105710 [1,0,0,1,0,0|1,1,0]=4 669 B10R1.21 CCCNCc1c[nH]cc1 Amb18064300 [1,0,0,1,0,0|2,0,0]=4 670 B10R1.21 CCCNCc1ccc[s]1 Amb19890386 [1,0,0,1,0,0|1,1,0]=4 671 B10R1.21 CCCNCc1ccco1 Amb1127967 [1,0,0,1,0,0|1,0,1]=4 672 B10R1.21 CCCNCc1ccco1 Amb19890265 [1,0,0,1,0,0|1,0,1]=4 673 B10R1.21 CCCSCc1ccco1 Amb24430614 [1,0,0,1,0,0|1,0,1]=4 674 B10R1.21 CCC\C=C\c1ccc[nH]1 Amb24712583 [1,0,0,1,0,0|1,0,1]=4 675 B10R1.21 CCC\N=C\c1ccc[nH]1 Amb24699353 [1,0,0,1,0,0|2,0,0]=4 676 B10R1.21 CCNCC[n]1cccc1 Amb18313349 [1,0,0,1,0,0|2,0,0]=4 677 B10R1.21 CCNCCc1c[nH]cc1 Amb18893405 [1,0,0,1,0,0|2,0,0]=4 678 B10R1.21 CNCCCC1C=CC=C1 Amb25791562 [1,0,0,1,0,0|1,0,1]=4 679 B10R1.21 CNCCCC=1C=CCC1 Amb24478907 [1,0,0,1,0,0|1,0,1]=4 680 B10R1.21 CNCCC[n]1cccc1 Amb18306565 [1,0,0,1,0,0|2,0,0]=4 681 B10R1.21 CNCCCc1c[nH]cc1 Amb18064240 [1,0,0,1,0,0|2,0,0]=4 682 B10R1.21 CNCCCc1c[s]cc1 Amb19025786 [1,0,0,1,0,0|2,0,0]=4 683 B10R1.21 CNCCCc1cccs1 Amb17104498 [1,0,0,1,0,0|1,1,0]=4 684 B10R1.21 CSCCCc1c[s]cc1 Amb25260627 [1,0,0,1,0,0|2,0,0]=4 685 B10R1.21 ClCCCC[n]1cccc1 Amb24480449 [1,0,0,1,0,0|2,0,0]=4 686 B10R1.21 ClCCCCc1ccco1 Amb17138477 [1,0,0,1,0,0|1,0,1]=4 687 B10R1.21 FCCCC[n]1cccc1 Amb25760766 [1,0,0,1,0,0|2,0,0]=4 688 B10R1.21 NCCCCc1c[nH]cc1 Amb18562443 [1,0,0,1,0,0|2,0,0]=4 689 B10R1.21 NCCCCc1c[s]cc1 Amb25765310 [1,0,0,1,0,0|2,0,0]=4 690 B10R1.21 O=C\C=C/NC=1CCCC1 Amb18643158 [1,0,0,1,0,0|1,0,1]=4 691 B10R1.21 O=C\C=C\C=C1CCCC1 Amb24569282 [1,0,0,1,0,0|0,0,0]=2 692 B10R1.21 O=C\C=C\CC1CCCC1 Amb24524333 [1,0,0,1,0,0|0,0,1]=3 693 B10R1.21 OCCCCC=1CC=CC1 Amb25353203 [1,0,0,1,0,0|1,0,1]=4 694 B10R1.21 OCCCC[n]1cccc1 Amb25369054 [1,0,0,1,0,0|2,0,0]=4 695 B10R1.21 OCCCCc1c[nH]cc1 Amb18223719 [1,0,0,1,0,0|2,0,0]=4 696 B10R1.21 OCCCCc1ccco1 Amb17106038 [1,0,0,1,0,0|1,0,1]=4 697 B10R1.21 OCCCCc1cocc1 Amb24475135 [1,0,0,1,0,0|2,0,0]=4 698 B10R1.21 SCCCCc1c[nH]cc1 Amb18563466 [1,0,0,1,0,0|2,0,0]=4 699 B10R1.21 SCCCCc1ccco1 Amb18563472 [1,0,0,1,0,0|1,0,1]=4 700 B10R1.21 SCCCCc1cccs1 Amb17400373 [1,0,0,1,0,0|1,1,0]=4 701 B10R1.29 CCCCC1=CCCC1=O Amb24361977 [1,0,0,1,0,0|0,0,2]=4 702 B10R1.29 CCCCC1=CCNC1=O Amb25836334 [1,0,0,1,0,0|1,0,1]=4 703 B10R1.29 CCCCC1=CCOC1=O Amb24637275 [1,0,0,1,0,0|1,0,1]=4 704 B10R1.29 CCCCC1N=COC1=O Amb24518667 [1,0,0,1,0,0|2,0,0]=4 705 B10R1.29 CCCCN1C=CNC1=O Amb25763197 [1,0,0,1,0,0|2,0,0]=4 706 B10R1.29 CCCCN1OC=CC1=O Amb25120451 [1,0,0,1,0,0|2,0,0]=4 707 B10R1.29 CCCCN1SC=CC1=O Amb24625081 [1,0,0,1,0,0|2,0,0]=4 708 B10R1.29 CCCCc1[nH]ccc1F Amb25062122 [1,0,0,1,0,0|2,0,0]=4 709 B10R1.29 CCCCc1[s]ccc1Br Amb25301567 [1,0,0,1,0,0|2,0,0]=4 710 B10R1.29 CCCCc1c[s]cc1S Amb25301568 [1,0,0,1,0,0|1,1,0]=4 711 B10R1.29 CCCCc1cc[s]c1Br Amb19958946 [1,0,0,1,0,0|2,0,0]=4 712 B10R1.29 CCCCc1cocc1Cl Amb24743688 [1,0,0,1,0,0|2,0,0]=4 713 B10R1.29 Cc1c[nH]cc1CCCC Amb24380934 [1,0,0,1,0,0|2,0,0]=4 714 B10R1.29 Cc1cc[nH]c1CCCC Amb25703049 [1,0,0,1,0,0|2,0,0]=4 715 B10R1.56 CCCC\C=C/C1=CC1=O Amb25115005 [1,0,0,1,0,0|0,0,0]=2 716 B10R1.56 CCCC\C=C\C1=CC1=O Amb25146317 [1,0,0,1,0,0|0,0,0]=2 717 B10R1.56 OCCCCCC1=CC1=O Amb24481265 [1,0,0,1,0,0|1,0,1]=4 718 B10R1.78 C=C1CCCCC=CC=C1 Amb22342435 [1,0,0,1,0,0|0,0,1]=3 719 B10R1.78 O=C1C=CCCCCCN1 Amb25309795 [1,0,0,1,0,0|1,0,1]=4 720 B10R1.78 O=C1CC=C=CCCCC1 Amb24662549 [1,0,0,1,0,0|0,0,2]=4 721 B10R1.78 O=C1CC=CCC=CC=C1 Amb24603480 [1,0,0,1,0,0|0,0,2]=4 722 B10R1.78 O=C1CC=CCCCCC1 Amb24571778 [1,0,0,1,0,0|0,0,1]=3 723 B10R1.78 O=C1CCC=CCCCC1 Amb25146533 [1,0,0,1,0,0|0,0,2]=4 724 B10R1.78 O=C1CCCCC=CC=C1 Amb22342438 [1,0,0,1,0,0|0,0,0]=2 725 B10R1.78 O=C1CCCCCC=CN1 Amb25073138 [1,0,0,1,0,0|1,0,0]=3 726 B10R1.78 O=C1CCCCCCC=C1 Amb22363956 [1,0,0,1,0,0|0,0,1]=3 727 B10R1.78 O=C1CCCCCNC=C1 Amb25324286 [1,0,0,1,0,0|1,0,0]=3 728 B10R1.78 O=C1CCOCCCC=C1 Amb25759600 [1,0,0,1,0,0|1,0,1]=4 729 B10R1.85 BrCCC1C=CC=CC=C1 Amb24365338 [1,0,0,1,0,0|1,0,1]=4 730 B10R1.85 O=C=NC=1CCCCCC1 Amb25249205 [1,0,0,1,0,0|1,0,1]=4 731 B10R1.85 O=CC=C1CCCCCC1 Amb24657162 [1,0,0,1,0,0|0,0,1]=3 732 B10R1.85 O=CCC1CCCCC=C1 Amb24602955 [1,0,0,1,0,0|0,0,2]=4 733 B10R1.85 O=C\C=C/1\CCCCCN1 Amb25291841 [1,0,0,1,0,0|1,0,0]=3 734 B10R1.85 OCCC1C=CC=CC=C1 Amb24469413 [1,0,0,1,0,0|1,0,1]=4 735 B10R1.85 OCCC1CC=CCC=C1 Amb25219206 [1,0,0,1,0,0|1,0,1]=4 736 B10R1.85 OCC[C@@H]1CC=CCC=C1 Amb24524459 [1,0,0,1,0,0|1,0,1]=4 737 B10R1.161 O=CC1=CCCCCCC1 Amb17621598 [1,0,0,1,0,0|0,0,1]=3 738 B10R1.161 O=CC1CC=CCCCC1 Amb24478245 [1,0,0,1,0,0|0,0,2]=4 739 B10R1.161 O=CC=1C=CCCCCC1 Amb24571850 [1,0,0,1,0,0|0,0,1]=3 740 B12R1.8 BrCCCNCc1ccccc1 Amb18134994 [0,1,0,1,0,0|2,0,0]=4 741 B12R1.8 C=CCCCCc1ccccc1 Amb19930233 [0,1,0,1,0,0|1,0,1]=4 742 B12R1.8 CCCCCCc1c[n]cc[n]1 Amb22235243 [0,1,0,1,0,0|1,0,1]=4 743 B12R1.8 CCCCCCc1cc[n]cc1 Amb22235257 [0,1,0,1,0,0|1,0,1]=4 744 B12R1.8 CCCCCCc1cccnc1 Amb10807465 [0,1,0,1,0,0|1,0,1]=4 745 B12R1.8 CCCCCOc1ccccc1 Amb1106330 [0,1,0,1,0,0|1,0,0]=3 746 B12R1.8 CCCCNCc1c[n]ccc1 Amb20673559 [0,1,0,1,0,0|2,0,0]=4 747 B12R1.8 CCCCNCc1cc[n]c[n]1 Amb18798472 [0,1,0,1,0,0|2,0,0]=4 748 B12R1.8 CCCCNCc1cc[n]cc1 Amb20673560 [0,1,0,1,0,0|2,0,0]=4 749 B12R1.8 CCCCNCc1cccc[n]1 Amb20673556 [0,1,0,1,0,0|1,0,0]=3 750 B12R1.8 CCCCSSc1cccc[n]1 Amb24101204 [0,1,0,1,0,0|2,0,0]=4 751 B12R1.8 CCCC\C=C/c1ccccc1 Amb22546625 [0,1,0,1,0,0|1,0,1]=4 752 B12R1.8 CCCC\C=C\c1cccc[n]1 Amb19148732 [0,1,0,1,0,0|1,0,1]=4 753 B12R1.8 CCCC\N=C\c1ccccc1 Amb20248424 [0,1,0,1,0,0|1,0,1]=4 754 B12R1.8 CCCNCCc1ccccc1 Amb2119486 [0,1,0,1,0,0|1,0,0]=3 755 B12R1.8 CCCONCc1ccccc1 Amb25031180 [0,1,0,1,0,0|2,0,0]=4 756 B12R1.8 CCCSCCc1ccncc1 Amb1864661 [0,1,0,1,0,0|2,0,0]=4 757 B12R1.8 CCC\C=C/Cc1ccccc1 Amb22546636 [0,1,0,1,0,0|1,0,1]=4 758 B12R1.8 CCC\C=N\Cc1ccccc1 Amb10562392 [0,1,0,1,0,0|1,0,1]=4 759 B12R1.8 CCNCCCc1ccccc1 Amb2094490 [0,1,0,1,0,0|1,0,0]=3 760 B12R1.8 CCNCCNc1ccccc1 Amb18792597 [0,1,0,1,0,0|2,0,0]=4 761 B12R1.8 CCNCCOc1ccccc1 Amb2099717 [0,1,0,1,0,0|2,0,0]=4 762 B12R1.8 CCNCCSc1cccc[n]1 Amb19045126 [0,1,0,1,0,0|2,0,0]=4 763 B12R1.8 CCNCCSc1ccccc1 Amb10608724 [0,1,0,1,0,0|2,0,0]=4 764 B12R1.8 CCOCCCc1ccccc1 Amb24063530 [0,1,0,1,0,0|1,0,0]=3 765 B12R1.8 CCSCCNc1ccccc1 Amb17307513 [0,1,0,1,0,0|2,0,0]=4 766 B12R1.8 CCSCCSc1cccc[n]1 Amb24105858 [0,1,0,1,0,0|2,0,0]=4 767 B12R1.8 CNCCCCc1ccccc1 Amb10068774 [0,1,0,1,0,0|1,0,0]=3 768 B12R1.8 CNCCCCc1cccnc1 Amb17617748 [0,1,0,1,0,0|2,0,0]=4 769 B12R1.8 CNCCCNc1ccccc1 Amb13951704 [0,1,0,1,0,0|2,0,0]=4 770 B12R1.8 CNCCCSc1ccccc1 Amb10608730 [0,1,0,1,0,0|2,0,0]=4 771 B12R1.8 CNCCCSc1ccccc1 Amb22588097 [0,1,0,1,0,0|2,0,0]=4 772 B12R1.8 CNCCNCc1cccc[n]1 Amb18798456 [0,1,0,1,0,0|2,0,0]=4 773 B12R1.8 CNCCOCc1ccccc1 Amb20668782 [0,1,0,1,0,0|2,0,0]=4 774 B12R1.8 CNCCSCc1cccc[n]1 Amb21984677 [0,1,0,1,0,0|2,0,0]=4 775 B12R1.8 CNCCSCc1ccccc1 Amb18809641 [0,1,0,1,0,0|2,0,0]=4 776 B12R1.8 COCCCNc1ccccc1 Amb17232551 [0,1,0,1,0,0|2,0,0]=4 777 B12R1.8 COCCCOc1ccccc1 Amb23450364 [0,1,0,1,0,0|2,0,0]=4 778 B12R1.8 COCCNCc1ccccn1 Amb1663439 [0,1,0,1,0,0|2,0,0]=4 779 B12R1.8 COCCNCc1ccccn1 Amb17622505 [0,1,0,1,0,0|2,0,0]=4 780 B12R1.8 CSCCNCc1ccccc1 Amb18187025 [0,1,0,1,0,0|2,0,0]=4 781 B12R1.8 ClCCCCCc1ccccc1 Amb10808064 [0,1,0,1,0,0|1,0,0]=3 782 B12R1.8 ClCCCNCc1cccc[n]1 Amb20573480 [0,1,0,1,0,0|2,0,0]=4 783 B12R1.8 ClCCCNCc1ccccc1 Amb10766327 [0,1,0,1,0,0|2,0,0]=4 784 B12R1.8 Cl[Zn]CCCCc1ccccc1 Amb22897864 [0,1,0,1,0,0|2,0,0]=4 785 B12R1.8 FCCCSCc1ccccc1 Amb22008717 [0,1,0,1,0,0|2,0,0]=4 786 B12R1.8 N#CC=C\C=C\N1CCCCC1 Amb25274312 [0,1,0,1,0,0|1,0,1]=4 787 B12R1.8 NCCCCCc1ccccc1 Amb18034503 [0,1,0,1,0,0|1,0,0]=3 788 B12R1.8 NCCCCNc1ccccn1 Amb13952725 [0,1,0,1,0,0|2,0,0]=4 789 B12R1.8 NCCCNCc1ccccc1 Amb17720405 [0,1,0,1,0,0|2,0,0]=4 790 B12R1.8 NCCCNCc1ccccn1 Amb17315287 [0,1,0,1,0,0|2,0,0]=4 791 B12R1.8 NCCCOCc1ccccc1 Amb1217769 [0,1,0,1,0,0|2,0,0]=4 792 B12R1.8 NCCNCCc1ccccc1 Amb1086596 [0,1,0,1,0,0|2,0,0]=4 793 B12R1.8 NCCNCCc1ccccc1 Amb22283881 [0,1,0,1,0,0|2,0,0]=4 794 B12R1.8 NCCOCCc1ccccc1 Amb19374389 [0,1,0,1,0,0|2,0,0]=4 795 B12R1.8 NNCCCCc1cccc[n]1 Amb22497574 [0,1,0,1,0,0|2,0,0]=4 796 B12R1.8 NNCCCCc1ccccn1 Amb10844877 [0,1,0,1,0,0|2,0,0]=4 797 B12R1.8 O=CCCCCc1ccccc1 Amb18798121 [0,1,0,1,0,0|1,0,1]=4 798 B12R1.8 O=CC\C=C\C=C1CCCCC1 Amb24444810 [0,1,0,1,0,0|0,0,0]=2 799 B12R1.8 O=C\C=C\C=C/C1CCCCC1 Amb25294479 [0,1,0,1,0,0|0,0,0]=2 800 B12R1.8 O=C\C=C\C=CN1CCOCC1 Amb24512882 [0,1,0,1,0,0|1,0,0]=3 801 B12R1.8 O=C\C=C\C=C\C1CCCCC1 Amb18646132 [0,1,0,1,0,0|0,0,0]=2 802 B12R1.8 O=C\C=C\C=C\N1CCCCC1 Amb25253524 [0,1,0,1,0,0|0,0,0]=2 803 B12R1.8 OCCCCCc1cccc[n]1 Amb23441163 [0,1,0,1,0,0|1,0,0]=3 804 B12R1.8 OCCCNCc1ccccc1 Amb2221510 [0,1,0,1,0,0|2,0,0]=4 805 B12R1.8 OCCNCCc1ccccc1 Amb2119205 [0,1,0,1,0,0|2,0,0]=4 806 B12R1.8 OCCSCCc1ccccn1 Amb10608714 [0,1,0,1,0,0|2,0,0]=4 807 B12R1.8 OC\C=C\C=CC1CCCCC1 Amb24370041 [0,1,0,1,0,0|0,0,2]=4 808 B12R1.8 SCCCNCc1ccccc1 Amb25751336 [0,1,0,1,0,0|2,0,0]=4 809 B12R1.18 C=C\C=C\C1CCCCCC1=O Amb25202607 [0,1,0,1,0,0|1,0,1]=4 810 B12R1.18 CCCC[C@@H]1C=CC=CNC1=O Amb25161373 [0,1,0,1,0,0|0,0,0]=2 811 B12R1.18 CCCOC1=CC=CC=CC1=O Amb24722754 [0,1,0,1,0,0|0,0,2]=4 812 B12R1.18 O=C1C=CC=CC=C1CCCCl Amb25151144 [0,1,0,1,0,0|0,0,2]=4 813 B12R1.18 OCCO[C@H]1CC=CC=CC1=O Amb25358903 [0,1,0,1,0,0|1,0,0]=3 814 B12R1.37 CCCCCCCc1ccc[s]1 Amb24089104 [0,1,0,1,0,0|0,1,1]=4 815 B12R1.37 CCCCCCCc1ccco1 Amb10070289 [0,1,0,1,0,0|0,0,2]=4 816 B12R1.45 CC#CCC[n]1cccc1C=O Amb25078087 [0,1,0,1,0,0|0,0,2]=4 817 B12R1.52 C=C\C=C/1\CCCCCCC1=O Amb25768397 [0,1,0,1,0,0|1,0,1]=4 818 B12R1.121 CCCCC1NC=CC=C1C#N Amb18645722 [0,1,0,1,0,0|1,0,1]=4 819 B12R1.121 CCCOc1ccccc1C=O Amb1033069 [0,1,0,1,0,0|0,0,2]=4 820 B12R1.121 CCCOc1ncccc1C=O Amb10807469 [0,1,0,1,0,0|1,0,1]=4 821 B12R1.121 CCCSc1ccccc1C=O Amb18648423 [0,1,0,1,0,0|0,0,2]=4 822 B12R1.150 CC1CCCCCCC=CC1=O Amb24582545 [0,1,0,1,0,0|0,0,2]=4 823 B12R1.150 O=C1CCCCCC=CCC1Cl Amb25685278 [0,1,0,1,0,0|0,0,2]=4 824 B12R1.169 CCCc1ccccc1NC=O Amb24379378 [0,1,0,1,0,0|0,0,2]=4 825 B12R1.215 O=C1CC=CCCCCCCC1 Amb25112664 [0,1,0,1,0,0|0,0,2]=4 826 B12R1.215 O=C1CCC=CCCCCCC1 Amb25713005 [0,1,0,1,0,0|0,0,2]=4 827 B12R1.215 OC1CC=CC=CCCCCC1 Amb25234695 [0,1,0,1,0,0|0,0,2]=4 828 B12R1.267 C=C\C=C\C=C\1/CCCCC1=O Amb25359050 [0,1,0,1,0,0|1,0,1]=4 829 B12R1.267 CCCCCc1ncncc1Br Amb10068165 [0,1,0,1,0,0|2,0,0]=4 830 B12R1.267 CCCCNc1[n]cccc1Br Amb25805902 [0,1,0,1,0,0|2,0,0]=4 831 B12R1.267 CCCCNc1[n]cccc1F Amb18314049 [0,1,0,1,0,0|2,0,0]=4 832 B12R1.267 CCCCNc1cc[n]cc1Br Amb24459992 [0,1,0,1,0,0|2,0,0]=4 833 B12R1.267 CCCCNc1cc[n]cc1Cl Amb24434404 [0,1,0,1,0,0|2,0,0]=4 834 B12R1.267 CCCCNc1ccc[n]c1Br Amb24748989 [0,1,0,1,0,0|2,0,0]=4 835 B12R1.267 CCCCNc1ccc[n]c1N Amb25724907 [0,1,0,1,0,0|2,0,0]=4 836 B12R1.267 CCCCNc1ccccc1O Amb18646353 [0,1,0,1,0,0|0,0,2]=4 837 B12R1.267 CCCCNc1ccccc1S Amb25805362 [0,1,0,1,0,0|0,1,1]=4 838 B12R1.267 CCCCOC1=CC=CNC1=O Amb18034630 [0,1,0,1,0,0|1,0,0]=3 839 B12R1.267 CCCCOc1[n]cccc1Cl Amb24308905 [0,1,0,1,0,0|2,0,0]=4 840 B12R1.267 CCCCOc1ccc[n]c1Br Amb20242847 [0,1,0,1,0,0|2,0,0]=4 841 B12R1.267 CCCCOc1ccc[n]c1Cl Amb20242808 [0,1,0,1,0,0|2,0,0]=4 842 B12R1.267 CCCCOc1ccccc1N Amb1033054 [0,1,0,1,0,0|1,0,1]=4 843 B12R1.267 CCCNCc1ccccc1Br Amb19892805 [0,1,0,1,0,0|1,0,1]=4 844 B12R1.267 CCCNCc1ccccc1O Amb20673481 [0,1,0,1,0,0|0,0,2]=4 845 B12R1.267 CCCSCc1ccccc1Br Amb22228182 [0,1,0,1,0,0|1,0,1]=4 846 B12R1.267 CCC\C=N\N1C=CC=CC1=O Amb25806424 [0,1,0,1,0,0|1,0,1]=4 847 B12R1.267 CNCCCc1ccccc1Br Amb17605546 [0,1,0,1,0,0|1,0,1]=4 848 B12R1.267 CNCCCc1ccccc1C Amb17104499 [0,1,0,1,0,0|1,0,1]=4 849 B12R1.267 CNCCCc1ccccc1Cl Amb17104507 [0,1,0,1,0,0|1,0,1]=4 850 B12R1.267 CNCCCc1ccccc1F Amb17104502 [0,1,0,1,0,0|1,0,1]=4 851 B12R1.267 Cc1c[n]ccc1NCCCC Amb25376631 [0,1,0,1,0,0|2,0,0]=4 852 B12R1.267 Cc1cc[n]cc1CCCCN Amb18828701 [0,1,0,1,0,0|2,0,0]=4 853 B12R1.267 Cc1cc[n]cc1NCCCC Amb24692478 [0,1,0,1,0,0|2,0,0]=4 854 B12R1.267 Cc1ccc[n]c1NCCCC Amb18792595 [0,1,0,1,0,0|2,0,0]=4 855 B12R1.267 Cc1ccccc1CCCCN Amb17991254 [0,1,0,1,0,0|1,0,1]=4 856 B12R1.267 Cc1ccccc1CCCCS Amb18564154 [0,1,0,1,0,0|1,0,1]=4 857 B12R1.267 Fc1ccccc1CCCCS Amb18066143 [0,1,0,1,0,0|1,0,1]=4 858 B12R1.267 N#CCCCN1C=CC=CC1=O Amb18041800 [0,1,0,1,0,0|1,0,1]=4 859 B12R1.267 NCCCCN1C=CC=CC1=O Amb18535494 [0,1,0,1,0,0|1,0,0]=3 860 B12R1.267 NCCCCc1ccccc1Br Amb18069064 [0,1,0,1,0,0|1,0,1]=4 861 B12R1.267 NCCCCc1ccccc1Cl Amb22904185 [0,1,0,1,0,0|1,0,1]=4 862 B12R1.267 NCCCCc1ccccc1F Amb18524598 [0,1,0,1,0,0|1,0,1]=4 863 B12R1.267 NCCCCc1ccccc1O Amb18828230 [0,1,0,1,0,0|0,0,2]=4 864 B12R1.267 Nc1[n]cccc1CCCCBr Amb24083016 [0,1,0,1,0,0|2,0,0]=4 865 B12R1.267 SCCCCc1ccccc1Br Amb18576923 [0,1,0,1,0,0|1,0,1]=4 866 B12R1.267 SCCCCc1ccccc1Cl Amb18066299 [0,1,0,1,0,0|1,0,1]=4 867 B12R1.372 CCCCCCc1cc[s]c1Br Amb19957831 [0,1,0,1,0,0|1,0,1]=4 868 B12R1.372 CCCCCCc1cc[s]c1Cl Amb24323670 [0,1,0,1,0,0|1,0,1]=4 869 B12R1.372 CCCCC\C=C\1/CCCC1=O Amb22359638 [0,1,0,1,0,0|0,0,2]=4 870 B12R1.372 CCCCNCc1[s]ccc1Br Amb24768471 [0,1,0,1,0,0|2,0,0]=4 871 B12R1.372 CCCCNCc1ccc[n]1C Amb19890352 [0,1,0,1,0,0|2,0,0]=4 872 B12R1.372 CCCCNCc1sccc1C Amb1927261 [0,1,0,1,0,0|2,0,0]=4 873 B12R1.410 O=CC1CCC=CCCCCC1 Amb25289087 [0,1,0,1,0,0|0,0,2]=4 874 B12R1.550 C1CCCCCC=CC=CC=C1 Amb22230446 [0,1,0,1,0,0|1,0,0]=3 875 B12R1.1414 BrCC\C=C\C=1CCCCCC1 Amb25141727 [0,1,0,1,0,0|1,0,1]=4 876 B12R1.1414 CCCCNC=1CC=CC=CN1 Amb25272598 [0,1,0,1,0,0|2,0,0]=4 877 B12R1.1414 O=C\C=C\CC1CCCCCC1 Amb24405967 [0,1,0,1,0,0|0,0,2]=4 878 B12R1.28 CCCCCC1=CC=CC(=O)O1 Amb19668103 [0,1,0,1,0,0|0,0,0]=2 879 B12R1.28 CCCCCc1c[n]cc(N)c1 Amb23570651 [0,1,0,1,0,0|2,0,0]=4 880 B12R1.28 CCCCCc1cccc(F)c1 Amb22235097 [0,1,0,1,0,0|1,0,0]=3 881 B12R1.28 CCCCNc1cc(N)ccn1 Amb17334646 [0,1,0,1,0,0|2,0,0]=4 882 B12R1.28 CCCCNc1cccc(Br)[n]1 Amb25303603 [0,1,0,1,0,0|2,0,0]=4 883 B12R1.28 CCCCNc1cccc(Cl)[n]1 Amb21958687 [0,1,0,1,0,0|2,0,0]=4 884 B12R1.28 CCCCNc1cccc(F)[n]1 Amb18177869 [0,1,0,1,0,0|2,0,0]=4 885 B12R1.28 CCCCNc1cccc(I)c1 Amb19232035 [0,1,0,1,0,0|2,0,0]=4 886 B12R1.28 CCCCOc1cc(Br)cc[n]1 Amb22276477 [0,1,0,1,0,0|2,0,0]=4 887 B12R1.28 CCCCOc1cc(Cl)cc[n]1 Amb22276195 [0,1,0,1,0,0|2,0,0]=4 888 B12R1.28 CCCCOc1cc(N)cc[n]1 Amb18798584 [0,1,0,1,0,0|2,0,0]=4 889 B12R1.28 CCCCOc1cccc(Br)[n]1 Amb19959446 [0,1,0,1,0,0|2,0,0]=4 890 B12R1.28 CCCCOc1cccc([NH3+])c1 Amb22483190 [0,1,0,1,0,0|2,0,0]=4 891 B12R1.28 CCCCOc1cccc(c1)N Amb1132055 [0,1,0,1,0,0|2,0,0]=4 892 B12R1.28 CCCCOc1cccc(c1)N Amb2140562 [0,1,0,1,0,0|2,0,0]=4 893 B12R1.28 CCCCSC=1NC(=O)C=CN1 Amb17997524 [0,1,0,1,0,0|2,0,0]=4 894 B12R1.28 CCCCSc1cc(Cl)cc[n]1 Amb22236363 [0,1,0,1,0,0|2,0,0]=4 895 B12R1.28 CCCNCc1cccc(F)c1 Amb20673497 [0,1,0,1,0,0|2,0,0]=4 896 B12R1.28 CCCNCc1cccc(O)c1 Amb20673478 [0,1,0,1,0,0|1,0,1]=4 897 B12R1.28 CCCNCc1cccc(c1)Br Amb1922696 [0,1,0,1,0,0|2,0,0]=4 898 B12R1.28 CCCNCc1cccc(c1)Cl Amb1923473 [0,1,0,1,0,0|2,0,0]=4 899 B12R1.28 CCNCCc1cccc(N)c1 Amb18550383 [0,1,0,1,0,0|2,0,0]=4 900 B12R1.28 CCNCCc1cccc(c1)Br Amb17407066 [0,1,0,1,0,0|2,0,0]=4 901 B12R1.28 CCNCCc1cccc(c1)C Amb17193871 [0,1,0,1,0,0|2,0,0]=4 902 B12R1.28 CNCCCc1cccc(c1)Br Amb17104522 [0,1,0,1,0,0|2,0,0]=4 903 B12R1.28 CNCCCc1cccc(c1)C Amb17104500 [0,1,0,1,0,0|2,0,0]=4 904 B12R1.28 CNCCCc1cccc(c1)Cl Amb17104508 [0,1,0,1,0,0|2,0,0]=4 905 B12R1.28 CNCCCc1cccc(c1)F Amb17605539 [0,1,0,1,0,0|2,0,0]=4 906 B12R1.28 Cc1cc(CCCCN)[n]cc1 Amb18828700 [0,1,0,1,0,0|2,0,0]=4 907 B12R1.28 Cc1cc(CCCCS)ccc1 Amb18564155 [0,1,0,1,0,0|2,0,0]=4 908 B12R1.28 Cc1cc[n]c(c1)NCCCC Amb19018811 [0,1,0,1,0,0|2,0,0]=4 909 B12R1.28 Cc1cccc(CCCCO)[n]1 Amb23441243 [0,1,0,1,0,0|2,0,0]=4 910 B12R1.28 Cc1cccc(CNCCC)c1 Amb20673492 [0,1,0,1,0,0|2,0,0]=4 911 B12R1.28 Cc1cccc(NCCCC)[n]1 Amb19005118 [0,1,0,1,0,0|2,0,0]=4 912 B12R1.28 Fc1cc(CCCCS)ccc1 Amb18564294 [0,1,0,1,0,0|2,0,0]=4 913 B12R1.28 NCCCCc1cccc(Br)c1 Amb18549204 [0,1,0,1,0,0|2,0,0]=4 914 B12R1.28 NCCCCc1cccc(F)c1 Amb18563815 [0,1,0,1,0,0|2,0,0]=4 915 B12R1.28 NCCCNC1=CC=CC(=O)N1 Amb25051511 [0,1,0,1,0,0|2,0,0]=4 916 B12R1.28 OCCCCc1cccc(Br)c1 Amb20668830 [0,1,0,1,0,0|2,0,0]=4 917 B12R1.28 OCCCNC1=CC=CC(=O)N1 Amb24487347 [0,1,0,1,0,0|2,0,0]=4 918 B12R1.28 SCCCCc1cccc(Br)c1 Amb18072286 [0,1,0,1,0,0|2,0,0]=4 919 B12R1.28 SCCCCc1cccc(Cl)c1 Amb18565790 [0,1,0,1,0,0|2,0,0]=4 920 B12R1.32 BrCCC(Br)Cc1ccccc1 Amb23456171 [0,1,0,1,0,0|2,0,0]=4 921 B12R1.32 C=CCC(=O)C=C1CCCCC1 Amb25158218 [0,1,0,1,0,0|1,0,1]=4 922 B12R1.32 CCCC(C)Cc1c[n]ccc1 Amb24094032 [0,1,0,1,0,0|2,0,0]=4 923 B12R1.32 CCCC(C)Cc1ccccc1 Amb22224920 [0,1,0,1,0,0|1,0,0]=3 924 B12R1.32 CCCC(Cc1ccccc1)[NH3+] Amb10560244 [0,1,0,1,0,0|1,0,0]=3 925 B12R1.32 CCCC(N)Cc1ccccc1 Amb18180073 [0,1,0,1,0,0|1,0,0]=3 926 B12R1.32 CCNC(C)Cc1ccccc1 Amb18552940 [0,1,0,1,0,0|2,0,0]=4 927 B12R1.32 CCNC(C)Cc1ccccc1 Amb22055190 [0,1,0,1,0,0|2,0,0]=4 928 B12R1.32 CCNC(Cc1ccccn1)C Amb1995151 [0,1,0,1,0,0|2,0,0]=4 929 B12R1.32 CNCC(Cc1ccccc1)O Amb17193901 [0,1,0,1,0,0|2,0,0]=4 930 B12R1.32 CNCC(N)Cc1ccccc1 Amb19009730 [0,1,0,1,0,0|2,0,0]=4 931 B12R1.32 COCC(N)Cc1ccccc1 Amb20623561 [0,1,0,1,0,0|2,0,0]=4 932 B12R1.32 C\C(\C=C1CCCCC1)=C/C=O Amb25290211 [0,1,0,1,0,0|0,0,0]=2 933 B12R1.32 C\C(\C=C1CCCCC1)=C\C=O Amb24655980 [0,1,0,1,0,0|0,0,0]=2 934 B12R1.32 NCCC(Cc1ccccc1)C Amb17232439 [0,1,0,1,0,0|2,0,0]=4 935 B12R1.32 NCCC(Cc1ccccc1)O Amb17232552 [0,1,0,1,0,0|2,0,0]=4 936 B12R1.32 NCCC(O)Cc1cccc[n]1 Amb18827677 [0,1,0,1,0,0|2,0,0]=4 937 B12R1.32 OCCC(Cc1ccccc1)C Amb17232486 [0,1,0,1,0,0|2,0,0]=4 938 B12R1.32 OCCC(O)Cc1ccccc1 Amb22491209 [0,1,0,1,0,0|2,0,0]=4 939 B12R1.32 [BH3]N(CCC)Cc1ccccc1 Amb24678772 [0,1,0,1,0,0|2,0,0]=4 940 B12R1.69 CC1=CC(=O)N(CCCBr)C=C1 Amb24552782 [0,1,0,1,0,0|2,0,0]=4 941 B12R1.69 CC1=CC(=O)N(CCCC)C=N1 Amb24747450 [0,1,0,1,0,0|2,0,0]=4 942 B12R1.69 CC1=CC(=O)N(CCCCl)C=C1 Amb19045938 [0,1,0,1,0,0|2,0,0]=4 943 B12R1.69 CC1=CC(=O)N(CCCF)C=C1 Amb25680231 [0,1,0,1,0,0|2,0,0]=4 944 B12R1.69 CC1=CC(=O)N(CCCN)C=C1 Amb18010722 [0,1,0,1,0,0|2,0,0]=4 945 B12R1.69 CC1=CC(=O)N(CCCO)C=C1 Amb18041291 [0,1,0,1,0,0|2,0,0]=4 946 B12R1.69 CC=1C=CN(CCCC)C(=O)C1 Amb18403659 [0,1,0,1,0,0|1,0,0]=3 947 B12R1.69 CC=1C=CN(CCNC)C(=O)C1 Amb18302433 [0,1,0,1,0,0|2,0,0]=4 948 B12R1.69 CC=1C=CN(CCOC)C(=O)C1 Amb18403720 [0,1,0,1,0,0|2,0,0]=4 949 B12R1.69 CC=1C=CN(COCC)C(=O)C1 Amb25667494 [0,1,0,1,0,0|2,0,0]=4 950 B12R1.69 CC=1C=NN(CCCC)C(=O)C1 Amb25845832 [0,1,0,1,0,0|2,0,0]=4 951 B12R1.69 CC=1CCC(CCCC)C(=O)C1 Amb25792937 [0,1,0,1,0,0|0,0,2]=4 952 B12R1.69 CCCCN1C=CC(=O)NC1=O Amb20243239 [0,1,0,1,0,0|2,0,0]=4 953 B12R1.69 CCCCN1C=CC(Br)=CC1=O Amb24645127 [0,1,0,1,0,0|1,0,0]=3 954 B12R1.69 CCCCN1C=CC(I)=CC1=O Amb25353617 [0,1,0,1,0,0|1,0,0]=3 955 B12R1.69 CCCCN1C=CC(N)=NC1=O Amb18646788 [0,1,0,1,0,0|2,0,0]=4 956 B12R1.69 CCCCN1C=CC(O)=CC1=O Amb24405789 [0,1,0,1,0,0|1,0,0]=3 957 B12R1.69 CCCCc1ccc(Br)cc1N Amb25688839 [0,1,0,1,0,0|1,0,1]=4 958 B12R1.69 CCCCc1ccc(Cl)cc1N Amb25212906 [0,1,0,1,0,0|1,0,1]=4 959 B12R1.69 CCCCc1ccc(F)cc1N Amb25697644 [0,1,0,1,0,0|1,0,1]=4 960 B12R1.69 CCCCc1ccc(N)cc1Br Amb25766211 [0,1,0,1,0,0|1,0,1]=4 961 B12R1.69 CCCCc1ccc(N)cc1Cl Amb25858096 [0,1,0,1,0,0|1,0,1]=4 962 B12R1.69 CCCCc1ccc(N)cc1I Amb25265964 [0,1,0,1,0,0|1,0,1]=4 963 B12R1.69 CCCNC1C=CC(=O)NC1=O Amb25667356 [0,1,0,1,0,0|2,0,0]=4 964 B12R1.69 COCCN1C=CC(I)=CC1=O Amb24367674 [0,1,0,1,0,0|2,0,0]=4 965 B12R1.69 COCCN1C=CC(N)=CC1=O Amb22736857 [0,1,0,1,0,0|2,0,0]=4 966 B12R1.69 Cc1cc(Br)ccc1CCCC Amb24341759 [0,1,0,1,0,0|1,0,1]=4 967 B12R1.69 Cc1cc(O)ccc1CCCC Amb24722982 [0,1,0,1,0,0|1,0,1]=4 968 B12R1.69 Cc1ccc(CCCC)c(N)c1 Amb24524870 [0,1,0,1,0,0|1,0,1]=4 969 B12R1.69 Cc1ccc(CCCC)c(O)c1 Amb24557617 [0,1,0,1,0,0|0,0,2]=4 970 B12R1.141 CC=1CC(=O)CCCCCCC1 Amb25233680 [0,1,0,1,0,0|0,0,2]=4 971 B12R1.308 CCCC(C)c1ccccc1N Amb24729496 [0,1,0,1,0,0|1,0,1]=4 972 B12R1.308 CCCC(Cl)c1ccccc1F Amb25127215 [0,1,0,1,0,0|1,0,1]=4 973 B12R1.308 CCCC(N)c1ccccc1N Amb25119381 [0,1,0,1,0,0|1,0,1]=4 974 B12R1.308 CCCC(N)c1ccccc1S Amb24488673 [0,1,0,1,0,0|0,1,1]=4 975 B12R1.308 CCCC(O)c1ccccc1I Amb24623046 [0,1,0,1,0,0|1,0,1]=4 976 B12R1.308 CCCC(O)c1ccccc1N Amb24473035 [0,1,0,1,0,0|1,0,1]=4 977 B12R1.308 CCCC(O)c1ccccc1O Amb18646532 [0,1,0,1,0,0|0,0,2]=4 978 B12R1.308 CCCC(c1ccccc1C)N Amb17232446 [0,1,0,1,0,0|1,0,1]=4 979 B12R1.308 CCCC(c1ccccc1C)O Amb17232483 [0,1,0,1,0,0|1,0,1]=4 980 B12R1.308 CCCC(c1ccccc1Cl)N Amb17234047 [0,1,0,1,0,0|1,0,1]=4 981 B12R1.308 CCCC(c1ccccc1Cl)O Amb17234154 [0,1,0,1,0,0|1,0,1]=4 982 B12R1.308 CCCC(c1ccccc1F)N Amb17232645 [0,1,0,1,0,0|1,0,1]=4 983 B12R1.308 CCCC(c1ccccc1F)O Amb17232666 [0,1,0,1,0,0|1,0,1]=4 984 B12R1.308 CCC[C@@H](N)c1ccccc1I Amb24443865 [0,1,0,1,0,0|1,0,1]=4 985 B12R1.308 CCC[C@@H](O)c1ccccc1Br Amb24705993 [0,1,0,1,0,0|1,0,1]=4 986 B12R1.308 CCC[C@@H](O)c1ccccc1Cl Amb25043992 [0,1,0,1,0,0|1,0,1]=4 987 B12R1.308 CCC[C@H](N)c1ccccc1Br Amb25096337 [0,1,0,1,0,0|1,0,1]=4 988 B12R1.308 CCC[C@H](N)c1ccccc1N Amb25088274 [0,1,0,1,0,0|1,0,1]=4 989 B12R1.308 C\C(=C\CO)\C1=CCCCC1C Amb25058606 [0,1,0,1,0,0|0,0,2]=4 990 B12R1.308 Cc1ccccc1C(Cl)CCC Amb25157873 [0,1,0,1,0,0|1,0,1]=4 991 B12R1.308 Cc1ccccc1[C@@H](N)CCC Amb22298562 [0,1,0,1,0,0|1,0,1]=4 992 B12R1.308 Cc1ccccc1[C@H](N)CCC Amb22298519 [0,1,0,1,0,0|1,0,1]=4 993 B12R1.316 CCCC(=O)n1cccc1C=O Amb17215884 [0,1,0,1,0,0|1,0,1]=4 994 B12R1.348 CCCCC1CC=CC(=O)C=C1 Amb25092911 [0,1,0,1,0,0|1,0,0]=3 995 B12R1.348 CCCCC=1C=CC(=O)C=CC1 Amb25767136 [0,1,0,1,0,0|1,0,1]=4 996 B12R1.456 CCCCCc1cc([*])[s]c1[*] Amb17933773 [0,1,0,1,0,0|2,0,0]=4 997 B12R1.542 CCCc1cccc(O)c1C=O Amb24497354 [0,1,0,1,0,0|0,0,2]=4 998 B12R1.1564 C\C=C\C(O)C=1CCCCCC1 Amb25158148 [0,1,0,1,0,0|1,0,1]=4 999 B12R1.1 CC1CCC(CC1)=CC=CC=O Amb24513071 [0,1,0,1,0,0|0,0,0]=2 1000 B12R1.1 CCCCCN1C=CC(=N)C=C1 Amb21922130 [0,1,0,1,0,0|2,0,0]=4 1001 B12R1.1 CCCCCN1C=CC(=N)C=C1 Amb21950891 [0,1,0,1,0,0|2,0,0]=4 1002 B12R1.1 CCCCCN1C=CC(=[NH2+])C=C1 Amb22555229 [0,1,0,1,0,0|2,0,0]=4 1003 B12R1.1 CCCCCc1[n]cc(N)c[n]1 Amb18560901 [0,1,0,1,0,0|2,0,0]=4 1004 B12R1.1 CCCCCc1ccc(cc1)Br Amb2413171 [0,1,0,1,0,0|1,0,0]=3 1005 B12R1.1 CCCCCc1ccc(nc1)C Amb10573556 [0,1,0,1,0,0|2,0,0]=4 1006 B12R1.1 CCCCNc1ccc(F)c[n]1 Amb19012852 [0,1,0,1,0,0|2,0,0]=4 1007 B12R1.1 CCCCOc1ccc(Br)c[n]1 Amb20242025 [0,1,0,1,0,0|2,0,0]=4 1008 B12R1.1 CCCCOc1ccc(I)cc1 Amb19929171 [0,1,0,1,0,0|2,0,0]=4 1009 B12R1.1 CCCCOc1ccc(S)cc1 Amb19887938 [0,1,0,1,0,0|2,0,0]=4 1010 B12R1.1 CCCCOc1ccc(cc1)N Amb1127017 [0,1,0,1,0,0|2,0,0]=4 1011 B12R1.1 CCCCSc1ccc(Br)cc1 Amb22227904 [0,1,0,1,0,0|2,0,0]=4 1012 B12R1.1 CCCNCc1ccc(Br)cc1 Amb19890387 [0,1,0,1,0,0|2,0,0]=4 1013 B12R1.1 CCCNCc1ccc(cc1)C Amb1215690 [0,1,0,1,0,0|2,0,0]=4 1014 B12R1.1 CCCNCc1ccc(cc1)Cl Amb10782093 [0,1,0,1,0,0|2,0,0]=4 1015 B12R1.1 CCCNCc1ccc(cc1)O Amb2445168 [0,1,0,1,0,0|2,0,0]=4 1016 B12R1.1 CCNCCc1ccc(cc1)O Amb15694900 [0,1,0,1,0,0|2,0,0]=4 1017 B12R1.1 CCOCCc1ccc(Br)cc1 Amb23443758 [0,1,0,1,0,0|2,0,0]=4 1018 B12R1.1 CNCCCc1ccc(cc1)Br Amb17104523 [0,1,0,1,0,0|2,0,0]=4 1019 B12R1.1 CNCCCc1ccc(cc1)C Amb17104501 [0,1,0,1,0,0|2,0,0]=4 1020 B12R1.1 CNCCCc1ccc(cc1)Cl Amb17104509 [0,1,0,1,0,0|2,0,0]=4 1021 B12R1.1 CNCCCc1ccc(cc1)F Amb17104503 [0,1,0,1,0,0|2,0,0]=4 1022 B12R1.1 Cc1ccc(CNCCC)cc1 Amb19890384 [0,1,0,1,0,0|2,0,0]=4 1023 B12R1.1 ClCCCCc1ccc(cc1)Br Amb17160233 [0,1,0,1,0,0|2,0,0]=4 1024 B12R1.1 ClCCCCc1ccc(cc1)C Amb17139047 [0,1,0,1,0,0|2,0,0]=4 1025 B12R1.1 ClCCCCc1ccc(cc1)Cl Amb17139904 [0,1,0,1,0,0|2,0,0]=4 1026 B12R1.1 ClCCCCc1ccc(cc1)F Amb17139159 [0,1,0,1,0,0|2,0,0]=4 1027 B12R1.1 Fc1ccc(CCCCBr)cc1 Amb20671699 [0,1,0,1,0,0|2,0,0]=4 1028 B12R1.1 NCCCCc1ccc(Cl)cc1 Amb18015291 [0,1,0,1,0,0|2,0,0]=4 1029 B12R1.1 NCCCCc1ccc(O)cc1 Amb18828233 [0,1,0,1,0,0|2,0,0]=4 1030 B12R1.1 NCCCCc1ccc(O)cc1 Amb24117946 [0,1,0,1,0,0|2,0,0]=4 1031 B12R1.1 NCCCCc1ccc(cc1)Br Amb17195656 [0,1,0,1,0,0|2,0,0]=4 1032 B12R1.1 Nc1ccc(CCCCO)cc1 Amb18828232 [0,1,0,1,0,0|2,0,0]=4 1033 B12R1.1 OCCCCc1ccc(cc1)Br Amb17089159 [0,1,0,1,0,0|2,0,0]=4 1034 B12R1.1 OCCCCc1ccc(cc1)C Amb16183285 [0,1,0,1,0,0|2,0,0]=4 1035 B12R1.1 OCCCCc1ccc(cc1)Cl Amb17089158 [0,1,0,1,0,0|2,0,0]=4 1036 B12R1.1 OCCCCc1ccc(cc1)F Amb17089157 [0,1,0,1,0,0|2,0,0]=4 1037 B12R1.1 SCCCCc1ccc(cc1)Br Amb17411242 [0,1,0,1,0,0|2,0,0]=4 1038 B12R1.1 SCCCCc1ccc(cc1)C Amb17400847 [0,1,0,1,0,0|2,0,0]=4 1039 B12R1.1 SCCCCc1ccc(cc1)Cl Amb17402392 [0,1,0,1,0,0|2,0,0]=4 1040 B12R1.1 SCCCCc1ccc(cc1)F Amb17401040 [0,1,0,1,0,0|2,0,0]=4 1041 B12R1.7 CCCC#C\C=C\1/C=CC(=O)O1 Amb25209327 [0,1,0,1,0,0|0,0,2]=4 1042 B12R1.7 CCCCCCc1cc(Br)c[s]1 Amb24079075 [0,1,0,1,0,0|0,1,1]=4 1043 B12R1.7 CCCCCCc1ccc(Br)[s]1 Amb22235381 [0,1,0,1,0,0|0,1,1]=4 1044 B12R1.25 CC1=CC=CN(CCCBr)C1=O Amb25106410 [0,1,0,1,0,0|2,0,0]=4 1045 B12R1.25 CC1=CC=CN(CCCC)C1=O Amb18405639 [0,1,0,1,0,0|1,0,0]=3 1046 B12R1.25 CC1=CC=CN(CCCCl)C1=O Amb24483605 [0,1,0,1,0,0|2,0,0]=4 1047 B12R1.25 CC1=CC=CN(CCCF)C1=O Amb25131611 [0,1,0,1,0,0|2,0,0]=4 1048 B12R1.25 CC1=CC=CN(CCCN)C1=O Amb18535491 [0,1,0,1,0,0|2,0,0]=4 1049 B12R1.25 CC1=CC=CN(CCCO)C1=O Amb18041290 [0,1,0,1,0,0|2,0,0]=4 1050 B12R1.25 CC1=CC=CN(CCCS)C1=O Amb24704094 [0,1,0,1,0,0|2,0,0]=4 1051 B12R1.25 CC1=CC=CN(CCOC)C1=O Amb19128124 [0,1,0,1,0,0|2,0,0]=4 1052 B12R1.25 CC1=CC=CN(COCC)C1=O Amb24622349 [0,1,0,1,0,0|2,0,0]=4 1053 B12R1.25 CCCCN1C=CC=C(Br)C1=O Amb25036262 [0,1,0,1,0,0|1,0,0]=3 1054 B12R1.25 CCCCN1C=CC=C(I)C1=O Amb25340266 [0,1,0,1,0,0|1,0,0]=3 1055 B12R1.25 CCCCN1C=CC=C(N)C1=O Amb18986286 [0,1,0,1,0,0|1,0,0]=3 1056 B12R1.25 CCCCN1C=CN=C(Cl)C1=O Amb25124155 [0,1,0,1,0,0|2,0,0]=4 1057 B12R1.25 CCCCN1C=NC=C(Br)C1=O Amb24611088 [0,1,0,1,0,0|2,0,0]=4 1058 B12R1.25 CCCCN1C=NC=C(I)C1=O Amb24417537 [0,1,0,1,0,0|2,0,0]=4 1059 B12R1.25 CCCCc1cccc(Cl)c1O Amb24584452 [0,1,0,1,0,0|0,0,2]=4 1060 B12R1.25 CCCCc1cccc(F)c1N Amb25842564 [0,1,0,1,0,0|1,0,1]=4 1061 B12R1.25 CCCCc1cccc(N)c1Cl Amb22229240 [0,1,0,1,0,0|1,0,1]=4 1062 B12R1.25 COCCN1C=CC=C(Br)C1=O Amb25036263 [0,1,0,1,0,0|2,0,0]=4 1063 B12R1.25 COCCN1C=CC=C(I)C1=O Amb25142367 [0,1,0,1,0,0|2,0,0]=4 1064 B12R1.25 COCCN1C=CC=C(N)C1=O Amb18295567 [0,1,0,1,0,0|2,0,0]=4 1065 B12R1.25 Cc1cccc(CCCC)c1N Amb24104100 [0,1,0,1,0,0|1,0,1]=4 1066 B12R1.25 Cc1cccc(CCCC)c1O Amb25669631 [0,1,0,1,0,0|0,0,2]=4 1067 B12R1.25 NC1=CC=CN(CCCO)C1=O Amb18295572 [0,1,0,1,0,0|2,0,0]=4 1068 B12R1.25 NCCCN1C=CC=C(Br)C1=O Amb18040597 [0,1,0,1,0,0|2,0,0]=4 1069 B12R1.25 O=C1C(Br)=CC=CN1CCCCl Amb24652017 [0,1,0,1,0,0|2,0,0]=4 1070 B12R1.25 O=C1C(Br)=CC=CN1CCCF Amb25045085 [0,1,0,1,0,0|2,0,0]=4 1071 B12R1.25 OCCCN1C=CC=C(Br)C1=O Amb18543189 [0,1,0,1,0,0|2,0,0]=4 1072 B12R1.27 C=CC(=O)\C=C\C1CCCCC1 Amb24512369 [0,1,0,1,0,0|1,0,1]=4 1073 B12R1.27 CC(CC=C1CCCCC1)C=O Amb24653526 [0,1,0,1,0,0|0,0,2]=4 1074 B12R1.27 CCC(C)CNc1cccc[n]1 Amb19031075 [0,1,0,1,0,0|2,0,0]=4 1075 B12R1.27 CCC(C)NCc1cccc[n]1 Amb20673664 [0,1,0,1,0,0|2,0,0]=4 1076 B12R1.27 CCC(CCc1ccccc1)O Amb17138574 [0,1,0,1,0,0|1,0,0]=3 1077 B12R1.27 CCC(CNc1ccccc1)O Amb13952005 [0,1,0,1,0,0|2,0,0]=4 1078 B12R1.27 CCC(CSc1ccccc1)N Amb17485970 [0,1,0,1,0,0|2,0,0]=4 1079 B12R1.27 CCC(N)CNc1cccc[n]1 Amb24483338 [0,1,0,1,0,0|2,0,0]=4 1080 B12R1.27 CCC(N)CNc1ccccc1 Amb19009674 [0,1,0,1,0,0|2,0,0]=4 1081 B12R1.27 CCC(N)COc1cccc[n]1 Amb22522748 [0,1,0,1,0,0|2,0,0]=4 1082 B12R1.27 CCC(N)COc1ccccc1 Amb19029691 [0,1,0,1,0,0|2,0,0]=4 1083 B12R1.27 CCC(O)CNc1cccc[n]1 Amb25350283 [0,1,0,1,0,0|2,0,0]=4 1084 B12R1.27 CCC(O)OCc1ccccc1 Amb25793622 [0,1,0,1,0,0|2,0,0]=4 1085 B12R1.27 CC[C@H](C)CNc1ccccc1 Amb25843960 [0,1,0,1,0,0|2,0,0]=4 1086 B12R1.27 CC[C@H](O)CNc1cccc[n]1 Amb24364763 [0,1,0,1,0,0|2,0,0]=4 1087 B12R1.27 CNC(CCc1ccccc1)C Amb1138722 [0,1,0,1,0,0|2,0,0]=4 1088 B12R1.27 C\C(\C=O)=C/CC1CCCCC1 Amb25770084 [0,1,0,1,0,0|0,0,2]=4 1089 B12R1.27 C\C(\C=O)=C\C=C1CCCCC1 Amb24611214 [0,1,0,1,0,0|0,0,0]=2 1090 B12R1.27 NC(CO)CCc1cccc[n]1 Amb18563729 [0,1,0,1,0,0|2,0,0]=4 1091 B12R1.77 CCC(C)c1[n]cccc1C=O Amb18829229 [0,1,0,1,0,0|1,0,1]=4 1092 B12R1.77 CCC(C)c1ccccc1C=O Amb24085061 [0,1,0,1,0,0|0,0,2]=4 1093 B12R1.206 O=C1CCCCCCC(=O)C=C1 Amb25073405 [0,1,0,1,0,0|0,0,1]=3 1094 B12R1.206 O=C1CCCCCOC(=O)C=C1 Amb25768593 [0,1,0,1,0,0|1,0,0]=3 1095 B12R1.371 CC(CN)CN1C=CC=CC1=O Amb19002925 [0,1,0,1,0,0|2,0,0]=4 1096 B12R1.371 CC(CS)CN1C=CC=CC1=O Amb24393655 [0,1,0,1,0,0|2,0,0]=4 1097 B12R1.371 CCC(=C)CN1C=CC=CC1=O Amb25757647 [0,1,0,1,0,0|1,0,1]=4 1098 B12R1.371 CCC(=O)CN1C=CC=CC1=O Amb18800894 [0,1,0,1,0,0|1,0,1]=4 1099 B12R1.371 CCC(Br)Cc1ccccc1Cl Amb24675424 [0,1,0,1,0,0|1,0,1]=4 1100 B12R1.371 CCC(C)CN1C=CC=CC1=O Amb25667279 [0,1,0,1,0,0|1,0,0]=3 1101 B12R1.371 CCC(C)CN1C=CC=NC1=O Amb25338843 [0,1,0,1,0,0|2,0,0]=4 1102 B12R1.371 CCC(C)CN1C=NC=CC1=O Amb24763524 [0,1,0,1,0,0|2,0,0]=4 1103 B12R1.371 CCC(C)Cc1ccccc1N Amb25034567 [0,1,0,1,0,0|1,0,1]=4 1104 B12R1.371 CCC(Cc1ccccc1C)Cl Amb17477425 [0,1,0,1,0,0|1,0,1]=4 1105 B12R1.371 CCC(Cc1ccccc1C)O Amb17138581 [0,1,0,1,0,0|1,0,1]=4 1106 B12R1.371 CCC(Cc1ccccc1Cl)Cl Amb17477603 [0,1,0,1,0,0|1,0,1]=4 1107 B12R1.371 CCC(Cc1ccccc1Cl)O Amb17139101 [0,1,0,1,0,0|1,0,1]=4 1108 B12R1.371 CCC(Cc1ccccc1F)O Amb17138635 [0,1,0,1,0,0|1,0,1]=4 1109 B12R1.371 CCC(Cl)Cc1ccccc1F Amb19046368 [0,1,0,1,0,0|1,0,1]=4 1110 B12R1.371 CCC(F)CN1C=CN=CC1=O Amb24380405 [0,1,0,1,0,0|2,0,0]=4 1111 B12R1.371 CCC(F)CN1C=NC=CC1=O Amb25792163 [0,1,0,1,0,0|2,0,0]=4 1112 B12R1.371 CCC(F)CN1N=CC=CC1=O Amb24353985 [0,1,0,1,0,0|2,0,0]=4 1113 B12R1.371 CCC(N)CN1C=CC=CC1=O Amb18040292 [0,1,0,1,0,0|1,0,0]=3 1114 B12R1.371 CCC(N)CN1C=CC=NC1=O Amb18042036 [0,1,0,1,0,0|2,0,0]=4 1115 B12R1.371 CCC(N)CN1C=CN=CC1=O Amb24717630 [0,1,0,1,0,0|2,0,0]=4 1116 B12R1.371 CCC(N)CN1C=NC=CC1=O Amb25081182 [0,1,0,1,0,0|2,0,0]=4 1117 B12R1.371 CCC(N)CN1N=CC=CC1=O Amb18301682 [0,1,0,1,0,0|2,0,0]=4 1118 B12R1.371 CCC(N)Cc1ccccc1Br Amb20627508 [0,1,0,1,0,0|1,0,1]=4 1119 B12R1.371 CCC(O)CN1C=CC=CC1=O Amb18792909 [0,1,0,1,0,0|1,0,0]=3 1120 B12R1.371 CCC(O)CN1C=CC=NC1=O Amb18793030 [0,1,0,1,0,0|2,0,0]=4 1121 B12R1.371 CCC(O)CN1C=NC=CC1=O Amb25041345 [0,1,0,1,0,0|2,0,0]=4 1122 B12R1.371 CCC(O)CN1N=CC=CC1=O Amb18793044 [0,1,0,1,0,0|2,0,0]=4 1123 B12R1.371 CCC(O)Cc1ccccc1Br Amb24465632 [0,1,0,1,0,0|1,0,1]=4 1124 B12R1.371 CCC(O)Cc1ccccc1N Amb25335274 [0,1,0,1,0,0|1,0,1]=4 1125 B12R1.371 CNC(C)CN1C=CC=CC1=O Amb18982094 [0,1,0,1,0,0|2,0,0]=4 1126 B12R1.371 Cc1ccccc1C[C@@H](N)CC Amb24410901 [0,1,0,1,0,0|1,0,1]=4 1127 B12R1.371 Cc1ccccc1C[C@H](O)CC Amb25157887 [0,1,0,1,0,0|1,0,1]=4 1128 B12R1.371 NCC(O)CN1C=CC=CC1=O Amb18288788 [0,1,0,1,0,0|2,0,0]=4 1129 B12R1.371 NC[C@@H](O)CN1C=CC=CC1=O Amb25809156 [0,1,0,1,0,0|2,0,0]=4 1130 B12R1.371 OC(CBr)CN1C=CC=CC1=O Amb25751689 [0,1,0,1,0,0|2,0,0]=4 1131 B12R1.371 OC(CCl)CN1C=CC=CC1=O Amb25102536 [0,1,0,1,0,0|2,0,0]=4 1132 B12R1.371 OCC(O)CN1C=CC=CC1=O Amb25817247 [0,1,0,1,0,0|2,0,0]=4 1133 B12R1.455 CC#CCCc1ccc(C=O)o1 Amb25065855 [0,1,0,1,0,0|0,0,2]=4 1134 B12R1.455 CCCCC[n]1ccc(C=O)[n]1 Amb23568566 [0,1,0,1,0,0|1,0,0]=3 1135 B12R1.477 C\C(\C=O)=C\C=CN1CCCC1 Amb25377800 [0,1,0,1,0,0|1,0,0]=3 1136 B12R1.1659 C=CC(=O)C=1CCCCCCC1 Amb25371932 [0,1,0,1,0,0|1,0,1]=4 1137 B12R1.1748 CC(C=O)=CC1CCCCCC1 Amb24435538 [0,1,0,1,0,0|0,0,2]=4 1138 B12R1.1748 CC(CC1C=CC=CC=C1)NC Amb24696440 [0,1,0,1,0,0|2,0,0]=4 1139 B12R1.1748 CCC(=O)CC1C=CC=CC=C1 Amb25730082 [0,1,0,1,0,0|1,0,1]=4 1140 B12R1.30 CC(=C=CC=O)C=1CCCCC1 Amb25223796 [0,1,0,1,0,0|0,0,2]=4 1141 B12R1.30 CC(CCCN)c1ccccc1 Amb18563593 [0,1,0,1,0,0|2,0,0]=4 1142 B12R1.30 CC(\C=C\C=O)C1CCCCC1 Amb25850974 [0,1,0,1,0,0|0,0,2]=4 1143 B12R1.30 CCCCC(N)c1cccc[n]1 Amb19026090 [0,1,0,1,0,0|1,0,0]=3 1144 B12R1.30 CCCCC(c1cccnc1)N Amb10607965 [0,1,0,1,0,0|2,0,0]=4 1145 B12R1.30 CCCCC(c1ccncc1)N Amb10573553 [0,1,0,1,0,0|2,0,0]=4 1146 B12R1.30 CCCCN(c1ccccc1)N Amb17226670 [0,1,0,1,0,0|2,0,0]=4 1147 B12R1.30 CCCNC(c1ccccc1)C Amb1833463 [0,1,0,1,0,0|2,0,0]=4 1148 B12R1.30 CCNCC(N)c1ccccc1 Amb19009737 [0,1,0,1,0,0|2,0,0]=4 1149 B12R1.30 CCNCC(O)c1ccccc1 Amb22491734 [0,1,0,1,0,0|2,0,0]=4 1150 B12R1.30 CCNCC(c1ccccc1)C Amb2119469 [0,1,0,1,0,0|2,0,0]=4 1151 B12R1.30 CCNCC(c1ccccn1)O Amb17138608 [0,1,0,1,0,0|2,0,0]=4 1152 B12R1.30 CCOC[C@H](c1ccccc1)N Amb17061646 [0,1,0,1,0,0|2,0,0]=4 1153 B12R1.30 CNCC[C@@H](O)c1ccccc1 Amb20240620 [0,1,0,1,0,0|2,0,0]=4 1154 B12R1.30 CNCC[C@@H](O)c1ccccc1 Amb22747753 [0,1,0,1,0,0|2,0,0]=4 1155 B12R1.30 COCCC(O)c1ccccc1 Amb18788453 [0,1,0,1,0,0|2,0,0]=4 1156 B12R1.30 ClCCCC(c1ccccc1)O Amb17194564 [0,1,0,1,0,0|2,0,0]=4 1157 B12R1.30 NCCCC(O)c1cccc[n]1 Amb18563728 [0,1,0,1,0,0|2,0,0]=4 1158 B12R1.30 NCCCC(O)c1ccccc1 Amb21984517 [0,1,0,1,0,0|2,0,0]=4 1159 B12R1.30 NCCCC(c1ccccc1)O Amb17079154 [0,1,0,1,0,0|2,0,0]=4 1160 B12R1.30 NCCCC(c1ccccn1)N Amb10070102 [0,1,0,1,0,0|2,0,0]=4 1161 B12R1.30 N[C@@H](CCCO)c1ccccc1 Amb23440411 [0,1,0,1,0,0|2,0,0]=4 1162 B12R1.30 OC(\C=C\C=O)C1CCCCC1 Amb18647046 [0,1,0,1,0,0|0,0,2]=4 1163 B12R1.30 OCCCC(c1ccccc1)O Amb17334675 [0,1,0,1,0,0|2,0,0]=4 1164 B12R1.321 CCCCC1CC(=O)C=CCC1 Amb25273116 [0,1,0,1,0,0|0,0,2]=4 1165 B12R1.321 O=C1CCCCC(=C1)\C=C/C=O Amb25263135 [0,1,0,1,0,0|0,0,1]=3 1166 B12R1.321 O=C1CCCCC(=C1)\C=C\C=O Amb24662460 [0,1,0,1,0,0|0,0,1]=3 1167 B12R1.374 CC1=CN(CCCN)C(=O)C=C1 Amb18030530 [0,1,0,1,0,0|2,0,0]=4 1168 B12R1.374 CC1=CN(CCCO)C(=O)C=C1 Amb18041286 [0,1,0,1,0,0|2,0,0]=4 1169 B12R1.374 CC=1C=CC(=O)N(CCCC)C1 Amb18404884 [0,1,0,1,0,0|1,0,0]=3 1170 B12R1.374 CC=1C=CC(=O)N(CCOC)C1 Amb18404972 [0,1,0,1,0,0|2,0,0]=4 1171 B12R1.374 CCCCC1=CC(=O)C=CC1=O Amb24065452 [0,1,0,1,0,0|0,0,1]=3 1172 B12R1.374 CCCCN1C=C(Br)C=CC1=O Amb18404496 [0,1,0,1,0,0|1,0,0]=3 1173 B12R1.374 CCCCN1C=C(Cl)C=CC1=O Amb18405090 [0,1,0,1,0,0|1,0,0]=3 1174 B12R1.374 CCCCN1C=C(F)C=CC1=O Amb18405301 [0,1,0,1,0,0|1,0,0]=3 1175 B12R1.374 CCCCN1C=C(N)C=CC1=O Amb18030068 [0,1,0,1,0,0|1,0,0]=3 1176 B12R1.374 CCCCN1N=C(N)C=CC1=O Amb18224036 [0,1,0,1,0,0|2,0,0]=4 1177 B12R1.374 CCCCc1cc(Cl)ccc1N Amb25691483 [0,1,0,1,0,0|1,0,1]=4 1178 B12R1.374 CCCCc1cc(Cl)ccc1O Amb25273097 [0,1,0,1,0,0|0,0,2]=4 1179 B12R1.374 CCCCc1cc(N)ccc1Cl Amb25843846 [0,1,0,1,0,0|1,0,1]=4 1180 B12R1.374 CCCCc1cc(O)ccc1O Amb24330377 [0,1,0,1,0,0|0,0,2]=4 1181 B12R1.374 CCOCC1=CC(=O)C=CC1=O Amb24403286 [0,1,0,1,0,0|1,0,1]=4 1182 B12R1.374 CCOCN1C=C(Br)C=CC1=O Amb24341996 [0,1,0,1,0,0|2,0,0]=4 1183 B12R1.374 CCOCN1C=C(N)C=CC1=O Amb24485522 [0,1,0,1,0,0|2,0,0]=4 1184 B12R1.374 CCSCN1C=C(Br)C=CC1=O Amb24424738 [0,1,0,1,0,0|2,0,0]=4 1185 B12R1.374 CNCCN1C=C(Br)C=CC1=O Amb18992765 [0,1,0,1,0,0|2,0,0]=4 1186 B12R1.374 COCCN1C=C(Br)C=CC1=O Amb18404572 [0,1,0,1,0,0|2,0,0]=4 1187 B12R1.374 COCCN1C=C(Cl)C=CC1=O Amb18405168 [0,1,0,1,0,0|2,0,0]=4 1188 B12R1.374 COCCN1C=C(F)C=CC1=O Amb19127920 [0,1,0,1,0,0|2,0,0]=4 1189 B12R1.374 COCCN1C=C(I)C=CC1=O Amb24341832 [0,1,0,1,0,0|2,0,0]=4 1190 B12R1.374 COCCN1C=C(N)C=CC1=O Amb18288793 [0,1,0,1,0,0|2,0,0]=4 1191 B12R1.374 COCCN1C=C(N)C=CC1=O Amb19514339 [0,1,0,1,0,0|2,0,0]=4 1192 B12R1.374 CSCCN1C=C(N)C=CC1=O Amb18290078 [0,1,0,1,0,0|2,0,0]=4 1193 B12R1.374 Cc1ccc(N)c(CCCC)c1 Amb24365184 [0,1,0,1,0,0|1,0,1]=4 1194 B12R1.374 Cc1ccc(O)cc1CCCC Amb24527628 [0,1,0,1,0,0|1,0,1]=4 1195 B12R1.374 NC1=CN(CCCF)C(=O)C=C1 Amb25342827 [0,1,0,1,0,0|2,0,0]=4 1196 B12R1.374 NC1=CN(CCCO)C(=O)C=C1 Amb18535272 [0,1,0,1,0,0|2,0,0]=4 1197 B12R1.374 NCCCN1C=C(Br)C=CC1=O Amb18535492 [0,1,0,1,0,0|2,0,0]=4 1198 B12R1.374 NCCCN1C=C(Br)C=CC1=O Amb19514408 [0,1,0,1,0,0|2,0,0]=4 1199 B12R1.374 NCCCN1C=C(Cl)C=CC1=O Amb17992862 [0,1,0,1,0,0|2,0,0]=4 1200 B12R1.374 NCCCN1C=C(Cl)C=CC1=O Amb18368806 [0,1,0,1,0,0|2,0,0]=4 1201 B12R1.374 NCCCN1C=C(F)C=CC1=O Amb18040598 [0,1,0,1,0,0|2,0,0]=4 1202 B12R1.374 O=C1C=CC(Br)=CN1CCCS Amb24487517 [0,1,0,1,0,0|2,0,0]=4 1203 B12R1.374 OCCCN1C=C(Br)C=CC1=O Amb18041268 [0,1,0,1,0,0|2,0,0]=4 1204 B12R1.374 OCCCN1C=C(Cl)C=CC1=O Amb18041266 [0,1,0,1,0,0|2,0,0]=4 1205 B12R1.374 OCCCN1C=C(F)C=CC1=O Amb18040863 [0,1,0,1,0,0|2,0,0]=4 1206 B12R1.567 CC=1ONC(=O)C1CCCCC Amb24061560 [0,1,0,1,0,0|2,0,0]=4 1207 B12R1.1112 Cc1cccc(C=O)c1CCC Amb24668921 [0,1,0,1,0,0|0,0,2]=4 1208 B12R1.1778 CCCCC1(C)CCC=CC1=O Amb25035216 [0,1,0,1,0,0|0,0,2]=4 1209 B12R1.1778 C\C=C\CC1(C)C=CC=CC1=O Amb25718383 [0,1,0,1,0,0|0,0,2]=4 1210 B12R1.35 BrCCCCC(=O)c1ccco1 Amb10562219 [0,1,0,1,0,0|1,0,1]=4 1211 B12R1.35 CCCCCS(=O)c1ccc[s]1 Amb24271239 [0,1,0,1,0,0|1,1,0]=4 1212 B12R1.35 CCCCOC(=O)c1ccco1 Amb17939066 [0,1,0,1,0,0|1,0,1]=4 1213 B12R1.35 CCCCOC(=O)c1cccs1 Amb10574361 [0,1,0,1,0,0|1,1,0]=4 1214 B12R1.35 C\C=C\C=CC(=O)N1CCCC1 Amb25038805 [0,1,0,1,0,0|2,0,0]=4 1215 B12R1.35 ClCCCCC(=O)c1cccs1 Amb1085951 [0,1,0,1,0,0|1,1,0]=4 1216 B12R1.268 CCC[n+]1cc([O-])ccc1C=O Amb25106868 [0,1,0,1,0,0|1,0,1]=4 1217 B12R1.268 Cc1ccc(C=O)c(CCC)c1 Amb24379000 [0,1,0,1,0,0|0,0,2]=4 1218 B12R1.482 CC1CC1NC(=O)C=C\C=C\C Amb24473598 [0,1,0,1,0,0|2,0,0]=4 1219 B12R1.483 C\C=C\C=CC(=O)NC1CCC1 Amb24556733 [0,1,0,1,0,0|2,0,0]=4 1220 B12R1.803 Cc1ccc(C=O)[n]1CCOC Amb23148963 [0,1,0,1,0,0|2,0,0]=4 1221 B12R1.1631 CC1=CC=CC(=O)N1CCCC Amb18402895 [0,1,0,1,0,0|1,0,0]=3 1222 B12R1.1631 CC1=CC=CC(=O)N1CCCCl Amb19058330 [0,1,0,1,0,0|2,0,0]=4 1223 B12R1.1631 CC1=CC=CC(=O)N1CCCN Amb18535488 [0,1,0,1,0,0|2,0,0]=4 1224 B12R1.1631 CC1=CC=CC(=O)N1CCCN Amb22587371 [0,1,0,1,0,0|2,0,0]=4 1225 B12R1.1631 CC1=CC=CC(=O)N1CCCO Amb18041293 [0,1,0,1,0,0|2,0,0]=4 1226 B12R1.1631 CC1=CC=CC(=O)N1CCCS Amb25856279 [0,1,0,1,0,0|2,0,0]=4 1227 B12R1.1631 CC1=CC=CC(=O)N1CCNC Amb18299425 [0,1,0,1,0,0|2,0,0]=4 1228 B12R1.1631 CC1=CC=CC(=O)N1CCOC Amb18402936 [0,1,0,1,0,0|2,0,0]=4 1229 B12R1.1631 CC=1NC=CC(=O)C1CCCC Amb24373915 [0,1,0,1,0,0|1,0,1]=4 1230 B12R1.1631 CCCCN1C(=O)C=NC=C1Br Amb25098414 [0,1,0,1,0,0|2,0,0]=4 1231 B12R1.1631 CCCCN1C(N)=CC=CC1=N Amb25066953 [0,1,0,1,0,0|2,0,0]=4 1232 B12R1.1631 CCCCc1c(N)cccc1Cl Amb25365047 [0,1,0,1,0,0|1,0,1]=4 1233 B12R1.1631 C[C@H]1CC=CC(=O)[C@H]1CCCC Amb24582475 [0,1,0,1,0,0|0,0,2]=4 1234 B12R1.1631 NCCCN1C(=O)C=CC=C1Br Amb18040601 [0,1,0,1,0,0|2,0,0]=4 1235 B12R1.1631 O=C1C=CC=C(Br)N1CCCF Amb24396832 [0,1,0,1,0,0|2,0,0]=4 1236 B12R1.1631 O=C1C=CC=C(Cl)N1CCCF Amb25127529 [0,1,0,1,0,0|2,0,0]=4 1237 B12R1.1631 OCCCN1C(=O)C=CC=C1Br Amb18040866 [0,1,0,1,0,0|2,0,0]=4 1238 B12R1.1631 OCCCN1C(=O)C=CC=C1Cl Amb25042512 [0,1,0,1,0,0|2,0,0]=4 1239 B12R1.1997 OC1(C\C=C\C=O)CCCCC1 Amb24364220 [0,1,0,1,0,0|0,0,2]=4 1240 B12R1.75 CC(C)Cc1[n]cccc1C=O Amb24743755 [0,1,0,1,0,0|1,0,1]=4 1241 B12R1.75 CC(C)Cc1ccccc1C=O Amb25137753 [0,1,0,1,0,0|0,0,2]=4 1242 B12R1.75 CCC1CCCCC1=CC(O)=O Amb25152411 [0,1,0,1,0,0|0,0,2]=4 1243 B12R1.81 CCC1CCCN1\C=C\C(O)=O Amb25828616 [0,1,0,1,0,0|1,0,1]=4 1244 B12R1.125 CC(=O)C=CC1=CCCCC1C Amb24656004 [0,1,0,1,0,0|0,0,0]=2 1245 B12R1.125 CC(=O)CCC1=CCCCC1C Amb24424925 [0,1,0,1,0,0|0,0,2]=4 1246 B12R1.125 CC(=O)\C=C\C1=CCCCC1C Amb24416716 [0,1,0,1,0,0|0,0,0]=2 1247 B12R1.125 CC(Br)CCc1ccccc1Br Amb24488694 [0,1,0,1,0,0|1,0,1]=4 1248 B12R1.125 CC(C)CCN1C=CC=CC1=O Amb25757730 [0,1,0,1,0,0|1,0,0]=3 1249 B12R1.125 CC(C)CCN1C=NC=CC1=O Amb25709272 [0,1,0,1,0,0|2,0,0]=4 1250 B12R1.125 CC(C)CC[n+]1ccccc1C Amb25381008 [0,1,0,1,0,0|2,0,0]=4 1251 B12R1.125 CC(C)CC[n+]1ccccc1F Amb24370900 [0,1,0,1,0,0|2,0,0]=4 1252 B12R1.125 CC(CCc1ccccc1N)C Amb13951566 [0,1,0,1,0,0|1,0,1]=4 1253 B12R1.125 CC(CCc1ccccc1O)N Amb17507315 [0,1,0,1,0,0|0,0,2]=4 1254 B12R1.125 CC(CCc1ccccc1O)O Amb17507249 [0,1,0,1,0,0|0,0,2]=4 1255 B12R1.125 CC(Cl)CCc1ccccc1Br Amb24488697 [0,1,0,1,0,0|1,0,1]=4 1256 B12R1.125 CC(Cl)CCc1ccccc1F Amb19076400 [0,1,0,1,0,0|1,0,1]=4 1257 B12R1.125 CC(F)CCN1C=CC=CC1=O Amb25072253 [0,1,0,1,0,0|1,0,0]=3 1258 B12R1.125 CC(F)CCc1ccccc1N Amb25212968 [0,1,0,1,0,0|1,0,1]=4 1259 B12R1.125 CC(N)CCc1ccccc1N Amb18646140 [0,1,0,1,0,0|1,0,1]=4 1260 B12R1.125 CC(O)CCN1C=CC=CC1=O Amb18805593 [0,1,0,1,0,0|1,0,0]=3 1261 B12R1.125 CC(O)CCN1C=CC=NC1=O Amb18805806 [0,1,0,1,0,0|2,0,0]=4 1262 B12R1.125 CC(O)CCN1N=CC=CC1=O Amb18793045 [0,1,0,1,0,0|2,0,0]=4 1263 B12R1.125 CC(O)CCc1ccccc1Br Amb25763352 [0,1,0,1,0,0|1,0,1]=4 1264 B12R1.125 CC(O)CCc1ccccc1Cl Amb19075162 [0,1,0,1,0,0|1,0,1]=4 1265 B12R1.125 CC(O)CCc1ccccc1F Amb18805845 [0,1,0,1,0,0|1,0,1]=4 1266 B12R1.125 CC(O)CCc1ccccc1N Amb24485690 [0,1,0,1,0,0|1,0,1]=4 1267 B12R1.125 CC1CCCCC1\C=C\C(O)=O Amb24546661 [0,1,0,1,0,0|0,0,2]=4 1268 B12R1.125 CC=1CCCCC1C=CC(O)=O Amb25210813 [0,1,0,1,0,0|0,0,2]=4 1269 B12R1.125 CC=1CCCCC1\C=C\C(C)=O Amb25262267 [0,1,0,1,0,0|0,0,2]=4 1270 B12R1.125 CC=1CCCCC1\C=C\C(O)=O Amb24711281 [0,1,0,1,0,0|0,0,2]=4 1271 B12R1.125 CS(=O)CCN1C=CC=CC1=O Amb24592911 [0,1,0,1,0,0|2,0,0]=4 1272 B12R1.125 C[C@@H](N)CCc1ccccc1Cl Amb24117939 [0,1,0,1,0,0|1,0,1]=4 1273 B12R1.125 C[C@H](N)CCc1ccccc1Cl Amb24470862 [0,1,0,1,0,0|1,0,1]=4 1274 B12R1.125 C[C@H](N)CCc1ccccc1O Amb25149919 [0,1,0,1,0,0|0,0,2]=4 1275 B12R1.125 Cc1ccccc1CCC(C)Cl Amb19074258 [0,1,0,1,0,0|1,0,1]=4 1276 B12R1.125 Cc1ccccc1CCC(C)O Amb18800836 [0,1,0,1,0,0|1,0,1]=4 1277 B12R1.130 CC1CCCN1C\C=C\C(O)=O Amb18296455 [0,1,0,1,0,0|1,0,1]=4 1278 B12R1.252 CC(=O)CCCc1cccc[n]1 Amb22284162 [0,1,0,1,0,0|1,0,1]=4 1279 B12R1.252 CC(=O)CCCc1ccccn1 Amb1102603 [0,1,0,1,0,0|1,0,1]=4 1280 B12R1.252 CC(=O)\C=C/NC1CCCCC1 Amb24341845 [0,1,0,1,0,0|1,0,1]=4 1281 B12R1.252 CC(=O)\C=C\C=C1CCCCC1 Amb25179674 [0,1,0,1,0,0|0,0,0]=2 1282 B12R1.252 CC(=O)\C=C\CC1CCCCC1 Amb24424879 [0,1,0,1,0,0|0,0,2]=4 1283 B12R1.252 CC(Br)CCSc1ccccc1 Amb20623511 [0,1,0,1,0,0|2,0,0]=4 1284 B12R1.252 CC(C)=C\C=C/C1CCCCC1 Amb22546613 [0,1,0,1,0,0|1,0,1]=4 1285 B12R1.252 CC(C)CCCc1ccccc1 Amb24063684 [0,1,0,1,0,0|1,0,0]=3 1286 B12R1.252 CC(C)CCOc1ccccc1 Amb23450363 [0,1,0,1,0,0|2,0,0]=4 1287 B12R1.252 CC(C)CNCc1cccc[n]1 Amb19890497 [0,1,0,1,0,0|2,0,0]=4 1288 B12R1.252 CC(C)CNCc1ccccc1 Amb22586944 [0,1,0,1,0,0|2,0,0]=4 1289 B12R1.252 CC(CCCc1ccccc1)Cl Amb17477428 [0,1,0,1,0,0|1,0,0]=3 1290 B12R1.252 CC(CCCc1ccccc1)O Amb17138575 [0,1,0,1,0,0|1,0,0]=3 1291 B12R1.252 CC(CCCc1ccccn1)C Amb10573555 [0,1,0,1,0,0|1,0,0]=3 1292 B12R1.252 CC(CCCc1cccnc1)N Amb17232504 [0,1,0,1,0,0|2,0,0]=4 1293 B12R1.252 CC(CCSc1ccccc1)N Amb13881552 [0,1,0,1,0,0|2,0,0]=4 1294 B12R1.252 CC(COCc1ccccc1)N Amb1124568 [0,1,0,1,0,0|2,0,0]=4 1295 B12R1.252 CC(Cl)CCNc1cccc[n]1 Amb24461371 [0,1,0,1,0,0|2,0,0]=4 1296 B12R1.252 CC(Cl)COCc1ccccc1 Amb25059141 [0,1,0,1,0,0|2,0,0]=4 1297 B12R1.252 CC(F)CCCc1ccccc1 Amb22229780 [0,1,0,1,0,0|1,0,0]=3 1298 B12R1.252 CC(F)CNCc1ccccc1 Amb25795376 [0,1,0,1,0,0|2,0,0]=4 1299 B12R1.252 CC(I)CCCc1ccccc1 Amb22274883 [0,1,0,1,0,0|1,0,0]=3 1300 B12R1.252 CC(N)CCNc1ccccc1 Amb19009675 [0,1,0,1,0,0|2,0,0]=4 1301 B12R1.252 CC(N)CNCc1ccccc1 Amb18305296 [0,1,0,1,0,0|2,0,0]=4 1302 B12R1.252 CC(NCCc1ccccc1)C Amb2111109 [0,1,0,1,0,0|2,0,0]=4 1303 B12R1.252 CC(O)CCCc1c[n]ccc1 Amb22292250 [0,1,0,1,0,0|2,0,0]=4 1304 B12R1.252 CC(O)CCNc1cccc[n]1 Amb25361843 [0,1,0,1,0,0|2,0,0]=4 1305 B12R1.252 CC(O)CCNc1ccccc1 Amb25376877 [0,1,0,1,0,0|2,0,0]=4 1306 B12R1.252 CC(O)\C=C\C=C1CCCCC1 Amb25306294 [0,1,0,1,0,0|0,0,2]=4 1307 B12R1.252 CC(OCCc1ccccn1)C Amb10573511 [0,1,0,1,0,0|2,0,0]=4 1308 B12R1.252 CC(S)CNCc1ccccc1 Amb18648551 [0,1,0,1,0,0|2,0,0]=4 1309 B12R1.252 CN(CCCc1ccccc1)C Amb1085936 [0,1,0,1,0,0|2,0,0]=4 1310 B12R1.252 C[C@@H](COCc1ccccc1)N Amb17061656 [0,1,0,1,0,0|2,0,0]=4 1311 B12R1.252 C[C@@H](N)CCCc1c[n]ccc1 Amb22388607 [0,1,0,1,0,0|2,0,0]=4 1312 B12R1.252 C[C@@H](N)COCc1ccccc1 Amb18529657 [0,1,0,1,0,0|2,0,0]=4 1313 B12R1.252 C[C@@H](O)CNCc1ccccc1 Amb25708513 [0,1,0,1,0,0|2,0,0]=4 1314 B12R1.252 C[C@@H](O)COCc1ccccc1 Amb22169747 [0,1,0,1,0,0|2,0,0]=4 1315 B12R1.252 C[C@H](N)CNCc1ccccc1 Amb25047295 [0,1,0,1,0,0|2,0,0]=4 1316 B12R1.252 C[C@H](O)CCNc1cccc[n]1 Amb24676365 [0,1,0,1,0,0|2,0,0]=4 1317 B12R1.252 C[C@H](O)COCc1ccccc1 Amb22044890 [0,1,0,1,0,0|2,0,0]=4 1318 B12R1.252 C[SiH](C)CCCc1ccccc1 Amb22366558 [0,1,0,1,0,0|1,1,0]=4 1319 B12R1.252 OC(=O)CCC=C1CCCCC1 Amb18647035 [0,1,0,1,0,0|0,0,2]=4 1320 B12R1.252 OC(=O)C\C=C\C=1CCCCC1 Amb25109260 [0,1,0,1,0,0|0,0,2]=4 1321 B12R1.252 OC(=O)\C=C/SC1CCCCC1 Amb24571677 [0,1,0,1,0,0|1,0,1]=4 1322 B12R1.252 OC(=O)\C=C\C=C1CCCCC1 Amb18646569 [0,1,0,1,0,0|0,0,0]=2 1323 B12R1.252 OC(=O)\C=C\C=C1CCCOC1 Amb24414493 [0,1,0,1,0,0|1,0,0]=3 1324 B12R1.252 OC(=O)\C=C\C=C1CCCSC1 Amb25156715 [0,1,0,1,0,0|1,0,0]=3 1325 B12R1.252 OC(=O)\C=C\C=C1CCOCC1 Amb25156714 [0,1,0,1,0,0|1,0,0]=3 1326 B12R1.252 OC(=O)\C=C\CN1CCCCC1 Amb18988789 [0,1,0,1,0,0|1,0,1]=4 1327 B12R1.252 OC(=O)\C=C\NC1CCCCC1 Amb24658894 [0,1,0,1,0,0|1,0,1]=4 1328 B12R1.252 OC(=O)\C=C\OC1CCCCC1 Amb18647362 [0,1,0,1,0,0|1,0,1]=4 1329 B12R1.252 OC(=O)\C=C\SC1CCCCC1 Amb25693595 [0,1,0,1,0,0|1,0,1]=4 1330 B12R1.255 CC(=O)\C=C\C=C\C1CCCC1 Amb25319952 [0,1,0,1,0,0|0,0,0]=2 1331 B12R1.255 CC(N)CCCCc1ccco1 Amb22035241 [0,1,0,1,0,0|0,0,2]=4 1332 B12R1.255 OC(=O)\C=C\C=CC1CCCO1 Amb25156710 [0,1,0,1,0,0|1,0,0]=3 1333 B12R1.255 OC(=O)\C=C\C=CC1COCC1 Amb25057098 [0,1,0,1,0,0|1,0,0]=3 1334 B12R1.255 OC(=O)\C=C\NCC1CCCC1 Amb25805743 [0,1,0,1,0,0|1,0,1]=4 1335 B12R1.283 CCCC1CC=CCC1C(O)=O Amb24415893 [0,1,0,1,0,0|0,0,2]=4 1336 B12R1.283 CCCc1ccccc1C(=O)Cl Amb24084964 [0,1,0,1,0,0|0,0,2]=4 1337 B12R1.283 CCCc1ccccc1C(N)=O Amb20000968 [0,1,0,1,0,0|0,0,2]=4 1338 B12R1.283 CCCc1ccccc1C(O)=O Amb18646088 [0,1,0,1,0,0|0,0,2]=4 1339 B12R1.386 CCCC[n]1cc[n]c1C(O)=O Amb23443765 [0,1,0,1,0,0|2,0,0]=4 1340 B12R1.386 CCCCc1[s]ccc1C(O)=O Amb24309094 [0,1,0,1,0,0|1,0,1]=4 1341 B12R1.1343 CC(=O)\C=C\C=1CCCCCC1 Amb24584489 [0,1,0,1,0,0|0,0,0]=2 1342 B12R1.1343 CC(=O)\C=C\N1CCCCCC1 Amb22524689 [0,1,0,1,0,0|1,0,1]=4 1343 B12R1.1343 NC(=O)\C=C/C1CCCCCC1 Amb25076691 [0,1,0,1,0,0|0,0,2]=4 1344 B12R1.1343 OC(=O)CCC=1CCCCCC1 Amb25209946 [0,1,0,1,0,0|0,0,2]=4 1345 B12R1.1343 OC(=O)\C=C\C1CCCCCC1 Amb24715822 [0,1,0,1,0,0|0,0,2]=4 1346 B12R1.1392 CC(=O)CC1CCCCCC=C1 Amb25796709 [0,1,0,1,0,0|0,0,2]=4 1347 B12R1.1392 CC(=O)CC=1C=CCCCCC1 Amb24518642 [0,1,0,1,0,0|0,0,2]=4 1348 B12R1.1392 CC(=O)CC=1CCCCCCC1 Amb24532525 [0,1,0,1,0,0|0,0,2]=4 1349 B12R1.1392 CC(=O)NC=1CCCCC=CC1 Amb25307952 [0,1,0,1,0,0|1,0,1]=4 1350 B12R1.1392 NC(=O)OC1CCCCCC=C1 Amb25843886 [0,1,0,1,0,0|1,0,1]=4 1351 B12R1.1392 OC(=O)CC1CCCCCC=C1 Amb25059238 [0,1,0,1,0,0|0,0,2]=4 1352 B12R1.1392 OC(=O)CC=1CCCCCCC1 Amb25751340 [0,1,0,1,0,0|0,0,2]=4 1353 B12R2.2 C1CCC(N1)c2cccc[n]2 Amb21960411 [0,0,0,2,0,0|2,0,0]=4 1354 B12R2.2 C1CCC(O1)c2cccc[n]2 Amb24729132 [0,0,0,2,0,0|2,0,0]=4 1355 B12R2.2 C1CCC(S1)c2ccccc2 Amb25801021 [0,0,0,2,0,0|2,0,0]=4 1356 B12R2.2 C1CCCB1c2ccccc2 Amb25240096 [0,0,0,2,0,0|2,0,0]=4 1357 B12R2.2 C1CCCC1c2c[n]ccc2 Amb25121665 [0,0,0,2,0,0|2,0,0]=4 1358 B12R2.2 C1CCCC1c2cc[n]cc2 Amb25808119 [0,0,0,2,0,0|2,0,0]=4 1359 B12R2.2 C1CCCC1c2cccc[n]2 Amb23589711 [0,0,0,2,0,0|1,0,0]=3 1360 B12R2.2 C1CCCC=C1c2ccc[nH]2 Amb24462367 [0,0,0,2,0,0|1,0,1]=4 1361 B12R2.2 C1CCCCC1c2ccc[s]2 Amb24396118 [0,0,0,2,0,0|0,1,1]=4 1362 B12R2.2 C1CCCN1c2cccc[n]2 Amb18269671 [0,0,0,2,0,0|2,0,0]=4 1363 B12R2.2 C1CCCN=C1c2ccc[s]2 Amb23578329 [0,0,0,2,0,0|1,1,0]=4 1364 B12R2.2 C1CCCN=C1c2ccco2 Amb23578277 [0,0,0,2,0,0|1,0,1]=4 1365 B12R2.2 C1CC[C@@H](N1)c2cccc[n]2 Amb22747201 [0,0,0,2,0,0|2,0,0]=4 1366 B12R2.2 C1CC[C@@H](N1)c2cccc[n]2 Amb22754028 [0,0,0,2,0,0|2,0,0]=4 1367 B12R2.2 C1CC[C@@H](N1)c2cccc[n]2 Amb22754034 [0,0,0,2,0,0|2,0,0]=4 1368 B12R2.2 C1CC[C@@H](N1)c2ccccc2 Amb20241932 [0,0,0,2,0,0|2,0,0]=4 1369 B12R2.2 C1CC[C@H](N1)c2cccc[n]2 Amb22802416 [0,0,0,2,0,0|2,0,0]=4 1370 B12R2.2 C1CC[C@H](N1)c2ccccc2 Amb20241933 [0,0,0,2,0,0|2,0,0]=4 1371 B12R2.2 C1CC[S+](C1)c2ccccc2 Amb10576181 [0,0,0,2,0,0|2,0,0]=4 1372 B12R2.2 C1CC[S+](C1)c2ccccc2 Amb2447150 [0,0,0,2,0,0|2,0,0]=4 1373 B12R2.2 C1CNC(C1)c2ccccc2 Amb10808365 [0,0,0,2,0,0|2,0,0]=4 1374 B12R2.2 C1CNC(C1)c2ccccc2 Amb1106311 [0,0,0,2,0,0|2,0,0]=4 1375 B12R2.2 C1CNC(C1)c2ccccn2 Amb2235736 [0,0,0,2,0,0|2,0,0]=4 1376 B12R2.2 C1COC(C1)c2ccccc2 Amb17334283 [0,0,0,2,0,0|2,0,0]=4 1377 B12R2.2 C1NCC(C1)c2ccccc2 Amb10069263 [0,0,0,2,0,0|2,0,0]=4 1378 B12R2.2 C1NCC(C1)c2ccccc2 Amb10072809 [0,0,0,2,0,0|2,0,0]=4 1379 B12R2.2 C1NCC(C1)c2ccccn2 Amb10808435 [0,0,0,2,0,0|2,0,0]=4 1380 B12R2.2 C1NCC[C@@H]1c2ccccc2 Amb19887561 [0,0,0,2,0,0|2,0,0]=4 1381 B12R2.2 C1NCC[C@@H]1c2ccccc2 Amb24183516 [0,0,0,2,0,0|2,0,0]=4 1382 B12R2.2 C1NCC[C@H]1c2ccccc2 Amb19888399 [0,0,0,2,0,0|2,0,0]=4 1383 B12R2.2 C1OCCC1c2cccc[n]2 Amb24320768 [0,0,0,2,0,0|2,0,0]=4 1384 B12R2.2 C1OCCC1c2ccccc2 Amb21960825 [0,0,0,2,0,0|2,0,0]=4 1385 B12R2.7 O=C1C=CC=CC12CCCC2 Amb24709365 [0,0,0,2,0,0|0,0,0]=2 1386 B12R2.7 O=C1C=CCCC12CCCC2 Amb25767742 [0,0,0,2,0,0|0,0,2]=4 1387 B12R2.10 Brc1c[s]cc1C2CCCC2 Amb18160346 [0,0,0,2,0,0|2,0,0]=4 1388 B12R2.10 Brc1ccoc1C2CCCC2 Amb18173884 [0,0,0,2,0,0|2,0,0]=4 1389 B12R2.10 Brc1cocc1C2CCCC2 Amb18771044 [0,0,0,2,0,0|2,0,0]=4 1390 B12R2.10 Brc1occc1C2CCCC2 Amb13884537 [0,0,0,2,0,0|2,0,0]=4 1391 B12R2.10 Brc1sccc1C2CCCC2 Amb13884515 [0,0,0,2,0,0|2,0,0]=4 1392 B12R2.10 Nc1c[s]cc1C2CCCC2 Amb18199405 [0,0,0,2,0,0|2,0,0]=4 1393 B12R2.10 O=C1C=CON1C2CCCC2 Amb24544127 [0,0,0,2,0,0|2,0,0]=4 1394 B12R2.10 O=C1CCC=C1C2CCCC2 Amb25373054 [0,0,0,2,0,0|0,0,2]=4 1395 B12R2.98 C(C1CCCC1)c2ccc[s]2 Amb24639995 [0,0,0,2,0,0|0,1,1]=4 1396 B12R2.98 C1CCCC1Oc2ccco2 Amb24488099 [0,0,0,2,0,0|1,0,1]=4 1397 B12R2.229 O=C1C=CC=CC2N=NCC12 Amb25078714 [0,0,0,2,0,0|2,0,0]=4 1398 B12R2.229 O=C1CCCCC2C=CCC12 Amb25233744 [0,0,0,2,0,0|0,0,2]=4 1399 B12R2.229 O=C1CCCCC2CCC=C12 Amb25128904 [0,0,0,2,0,0|0,0,2]=4 1400 B12R2.229 O=C1CCCC[C@@H]2C=CC[C@H]12 Amb25264728 [0,0,0,2,0,0|0,0,2]=4 1401 B12R2.229 O=C1CCCCc2[s]ccc21 Amb25748979 [0,0,0,2,0,0|1,0,1]=4 1402 B12R2.229 O=C1CCCCc2c[nH]cc21 Amb24486055 [0,0,0,2,0,0|1,0,1]=4 1403 B12R2.229 O=C1CCCCc2cc[s]c21 Amb25714271 [0,0,0,2,0,0|1,0,1]=4 1404 B12R2.229 O=C1CCCCc2occc21 Amb25124017 [0,0,0,2,0,0|1,0,1]=4 1405 B12R2.229 O=C1NCCCC2C=CN=C12 Amb25276617 [0,0,0,2,0,0|2,0,0]=4 1406 B12R2.229 O=C1NCCC[n]2cccc21 Amb22496606 [0,0,0,2,0,0|2,0,0]=4 1407 B12R2.315 CCN1CCC=C2C=CC=C12 Amb25060582 [0,0,0,2,0,0|2,0,0]=4 1408 B12R2.315 O=C[C@@H]1CC=C[C@@H]2CCC[C@@H]12 Amb24567896 [0,0,0,2,0,0|0,0,2]=4 1409 B12R2.315 O=Cc1cccc2CCCc21 Amb18644270 [0,0,0,2,0,0|0,0,2]=4 1410 B12R2.382 C1CCCCCc2occc21 Amb25831060 [0,0,0,2,0,0|0,0,2]=4 1411 B12R2.1812 O=C[C@@H]1CC=C[C@H]2C[C@H]1CC2 Amb24760786 [0,0,0,2,0,0|0,0,2]=4 1412 B12R2.2336 O=CCCC1=CC2CC1CC2 Amb25785149 [0,0,0,2,0,0|0,0,2]=4 1413 B12R2.2336 O=C\C=C\C1CC2CC1CC2 Amb25725961 [0,0,0,2,0,0|0,0,2]=4 1414 B12R2.41 C1CCCCc2[n]c[n]cc21 Amb24071751 [0,0,0,2,0,0|2,0,0]=4 1415 B12R2.41 C1CCCCc2[n]cccc21 Amb22347821 [0,0,0,2,0,0|1,0,0]=3 1416 B12R2.41 C1CCCCc2cc[n]cc21 Amb25286517 [0,0,0,2,0,0|2,0,0]=4 1417 B12R2.41 C1CCCCc2ccccc21 Amb25336299 [0,0,0,2,0,0|1,0,0]=3 1418 B12R2.41 C1CCCN=C2NC=CC=C21 Amb25698578 [0,0,0,2,0,0|2,0,0]=4 1419 B12R2.41 C1CCCOc2ccccc21 Amb25340494 [0,0,0,2,0,0|0,0,2]=4 1420 B12R2.41 C1CNCCc2[n]cccc21 Amb25152680 [0,0,0,2,0,0|2,0,0]=4 1421 B12R2.41 C1CNc2c(CC1)cccc2 Amb2383457 [0,0,0,2,0,0|1,0,1]=4 1422 B12R2.41 C1COCCc2[n]cccc21 Amb24359900 [0,0,0,2,0,0|2,0,0]=4 1423 B12R2.41 C1Cc2ccccc2CCO1 Amb22233129 [0,0,0,2,0,0|2,0,0]=4 1424 B12R2.41 C1NCCCc2ccc[n]c21 Amb24754089 [0,0,0,2,0,0|2,0,0]=4 1425 B12R2.41 C1NCc2c(CC1)cccc2 Amb10608887 [0,0,0,2,0,0|2,0,0]=4 1426 B12R2.41 C1NCc2c(CC1)cccc2 Amb17470382 [0,0,0,2,0,0|2,0,0]=4 1427 B12R2.41 N1CCc2c(CC1)cccc2 Amb1811889 [0,0,0,2,0,0|2,0,0]=4 1428 B12R2.707 O=C1C2CCCCC1=CCC2 Amb25271004 [0,0,0,2,0,0|0,0,2]=4 1429 B12R2.707 O=C1C2CCCCC1CC=C2 Amb25134164 [0,0,0,2,0,0|0,0,2]=4 1430 B12R2.707 O=C1[C@@H]2CC=CC[C@H]1CCC2 Amb24334801 [0,0,0,2,0,0|0,0,2]=4 1431 B12R2.1041 O=C1CC2CCCC=CC2C1 Amb24737650 [0,0,0,2,0,0|0,0,2]=4 1432 B12R2.1041 O=C1CC2CCCCOC2=C1 Amb25236916 [0,0,0,2,0,0|1,0,1]=4 1433 B12R2.1041 O=C1C[C@H]2CCCC=C[C@H]2C1 Amb24512488 [0,0,0,2,0,0|0,0,2]=4 1434 B12R2.1041 O=C1C[C@H]2CCCCCC2=C1 Amb25706929 [0,0,0,2,0,0|0,0,2]=4 1435 B12R2.5472 O=C1CCC=CCC12CCC2 Amb25263620 [0,0,0,2,0,0|0,0,2]=4 1436 B12R2.24 CC1CCc2c(N1)cccc2 Amb2525824 [0,0,0,2,0,0|1,0,1]=4 1437 B12R2.24 CC1CCc2ccccc2N1 Amb22499773 [0,0,0,2,0,0|1,0,1]=4 1438 B12R2.24 CC1CCc2ccccc2O1 Amb19515436 [0,0,0,2,0,0|0,0,2]=4 1439 B12R2.24 CC1CCc2ccccc2S1 Amb25706129 [0,0,0,2,0,0|0,1,1]=4 1440 B12R2.24 C[C@@H]1CCc2ccccc2N1 Amb22751676 [0,0,0,2,0,0|1,0,1]=4 1441 B12R2.24 C[C@H]1CCc2ccccc2N1 Amb25138125 [0,0,0,2,0,0|1,0,1]=4 1442 B12R2.24 O=C1CC2C=CCCC2CC1 Amb24633634 [0,0,0,2,0,0|0,0,2]=4 1443 B12R2.24 O=C1CC2CCCCN2C=C1 Amb25689413 [0,0,0,2,0,0|1,0,1]=4 1444 B12R2.24 O=C1CC2OCCC=C2C=C1 Amb25370762 [0,0,0,2,0,0|1,0,0]=3 1445 B12R2.24 O=C1CC=C2CCCCC2C1 Amb25807531 [0,0,0,2,0,0|0,0,2]=4 1446 B12R2.24 O=C1CCC2C(=C1)CCCC2 Amb17593740 [0,0,0,2,0,0|0,0,2]=4 1447 B12R2.24 O=C1CCC2CC=CCC2=C1 Amb25205786 [0,0,0,2,0,0|0,0,2]=4 1448 B12R2.24 O=C1CCC2CCCNC2=C1 Amb24728266 [0,0,0,2,0,0|1,0,1]=4 1449 B12R2.24 O=C1CC[C@@H]2CC=CCC2=C1 Amb25768570 [0,0,0,2,0,0|0,0,2]=4 1450 B12R2.24 O=C1C[C@@H]2CCCCN2C=C1 Amb24456614 [0,0,0,2,0,0|1,0,1]=4 1451 B12R2.24 O=C1C[C@H]2C=CCC[C@@H]2CC1 Amb24512484 [0,0,0,2,0,0|0,0,2]=4 1452 B12R2.24 O=C1C[C@H]2CCCC[C@@H]2C=C1 Amb24583091 [0,0,0,2,0,0|0,0,2]=4 1453 B12R2.32 O=CC=1CC2CCCCC2C1 Amb24690032 [0,0,0,2,0,0|0,0,2]=4 1454 B12R2.32 O=CC=1C[C@H]2CCCC[C@H]2C1 Amb25377921 [0,0,0,2,0,0|0,0,2]=4 1455 B12R2.115 CC1CC1c2ccccc2Br Amb23247715 [0,0,0,2,0,0|1,0,1]=4 1456 B12R2.115 CC1CC1c2ccccc2N Amb24378033 [0,0,0,2,0,0|1,0,1]=4 1457 B12R2.115 C[C@@H]1C[C@H]1c2ccccc2N Amb24581604 [0,0,0,2,0,0|1,0,1]=4 1458 B12R2.115 C[C@@H]1C[C@H]1c2ccccc2O Amb25373423 [0,0,0,2,0,0|0,0,2]=4 1459 B12R2.115 C[C@H]1C[C@@H]1c2ccccc2N Amb25228469 [0,0,0,2,0,0|1,0,1]=4 1460 B12R2.115 C[C@H]1C[C@H]1c2ccccc2N Amb24514820 [0,0,0,2,0,0|1,0,1]=4 1461 B12R2.196 CC1CCCC2C1C=CC2=O Amb24646647 [0,0,0,2,0,0|0,0,2]=4 1462 B12R2.196 CC1CCc2c(O)cccc21 Amb24099162 [0,0,0,2,0,0|0,0,2]=4 1463 B12R2.196 NC1CCN2C(=O)C=CC=C21 Amb24514617 [0,0,0,2,0,0|2,0,0]=4 1464 B12R2.215 O=C1CC2CCCCC1C=C2 Amb24737413 [0,0,0,2,0,0|0,0,2]=4 1465 B12R2.225 Nc1ccccc1CC2CC2 Amb24117001 [0,0,0,2,0,0|1,0,1]=4 1466 B12R2.225 O=C1C=CC=CN1CC2CC2 Amb25789797 [0,0,0,2,0,0|1,0,0]=3 1467 B12R2.225 O=C1C=CC=CN1CC2CO2 Amb18181684 [0,0,0,2,0,0|2,0,0]=4 1468 B12R2.225 O=C1C=CC=CN1C[C@H]2CO2 Amb24501797 [0,0,0,2,0,0|2,0,0]=4 1469 B12R2.225 O=C1C=CC=NN1CC2CC2 Amb25083939 [0,0,0,2,0,0|2,0,0]=4 1470 B12R2.225 O=C1C=CN=CN1CC2CC2 Amb24488186 [0,0,0,2,0,0|2,0,0]=4 1471 B12R2.225 O=C1N=CC=CN1CC2CC2 Amb25142295 [0,0,0,2,0,0|2,0,0]=4 1472 B12R2.225 Oc1ccccc1CC2CC2 Amb22752448 [0,0,0,2,0,0|0,0,2]=4 1473 B12R2.517 Brc1ccccc1C2CCC2 Amb20617096 [0,0,0,2,0,0|1,0,1]=4 1474 B12R2.517 Nc1ccccc1C2CCC2 Amb20617097 [0,0,0,2,0,0|1,0,1]=4 1475 B12R2.517 O=C1C=CCCC1C2CCC2 Amb25151597 [0,0,0,2,0,0|0,0,2]=4 1476 B12R2.517 Oc1ccccc1C2CCC2 Amb20617098 [0,0,0,2,0,0|0,0,2]=4 1477 B12R2.587 CC12C=CCC=C1C=CC2=O Amb24676905 [0,0,0,2,0,0|0,0,2]=4 1478 B12R2.587 CC12CCCC=C1CCC2=O Amb25768427 [0,0,0,2,0,0|0,0,2]=4 1479 B12R2.587 CC12CCCCC1C=CC2=O Amb24486247 [0,0,0,2,0,0|0,0,2]=4 1480 B12R2.587 C[C@@]12CCCC=C1CCC2=O Amb24737411 [0,0,0,2,0,0|0,0,2]=4 1481 B12R2.931 CNCC1Cc2ccccc21 Amb24670284 [0,0,0,2,0,0|2,0,0]=4 1482 B12R2.931 NCCC1Cc2ccccc21 Amb24600610 [0,0,0,2,0,0|2,0,0]=4 1483 B12R2.1081 CC1CCCc2ccccc21 Amb22730060 [0,0,0,2,0,0|1,0,0]=3 1484 B12R2.1081 CC1CCSc2ccccc21 Amb24104681 [0,0,0,2,0,0|2,0,0]=4 1485 B12R2.1081 CC1CNCc2c1cccc2 Amb17399906 [0,0,0,2,0,0|2,0,0]=4 1486 B12R2.1081 CC1CNCc2ccccc21 Amb22275944 [0,0,0,2,0,0|2,0,0]=4 1487 B12R2.1081 CC1COCc2ccccc21 Amb23580749 [0,0,0,2,0,0|2,0,0]=4 1488 B12R2.1081 CC1NCCc2[n]cccc21 Amb18124938 [0,0,0,2,0,0|2,0,0]=4 1489 B12R2.1081 CC1NCCc2[n]cccc21 Amb22899141 [0,0,0,2,0,0|2,0,0]=4 1490 B12R2.1081 CC1NCCc2ccccc21 Amb19514854 [0,0,0,2,0,0|2,0,0]=4 1491 B12R2.1081 CC1OCCc2ccccc21 Amb25773190 [0,0,0,2,0,0|2,0,0]=4 1492 B12R2.1081 CN1CCCc2c1cccc2 Amb15692645 [0,0,0,2,0,0|2,0,0]=4 1493 B12R2.1081 C[C@@H]1CCCc2[n]c[n]cc21 Amb24068653 [0,0,0,2,0,0|2,0,0]=4 1494 B12R2.1081 C[C@@H]1CCNc2ccccc21 Amb25281259 [0,0,0,2,0,0|2,0,0]=4 1495 B12R2.1081 C[C@@H]1CNCc2ccccc21 Amb22751935 [0,0,0,2,0,0|2,0,0]=4 1496 B12R2.1081 C[C@@H]1NCCc2ccccc21 Amb22751772 [0,0,0,2,0,0|2,0,0]=4 1497 B12R2.1081 C[C@@H]1NCCc2ccccc21 Amb22756655 [0,0,0,2,0,0|2,0,0]=4 1498 B12R2.1081 C[C@H]1CCNc2ccccc21 Amb24375115 [0,0,0,2,0,0|2,0,0]=4 1499 B12R2.1081 C[C@H]1CNCc2ccccc21 Amb22886463 [0,0,0,2,0,0|2,0,0]=4 1500 B12R2.1081 Cc1cccc2CCCCc21 Amb22731111 [0,0,0,2,0,0|1,0,1]=4 1501 B12R2.1081 ClC1CCCc2[n]cccc21 Amb25152726 [0,0,0,2,0,0|2,0,0]=4 1502 B12R2.1081 Clc1cccc2CCCCc21 Amb25797430 [0,0,0,2,0,0|1,0,1]=4 1503 B12R2.1081 Fc1cccc2CCCCc21 Amb25768617 [0,0,0,2,0,0|1,0,1]=4 1504 B12R2.1081 NC1CCCc2[n]cccc21 Amb22499722 [0,0,0,2,0,0|2,0,0]=4 1505 B12R2.1081 NC1CCCc2[n]cccc21 Amb22499726 [0,0,0,2,0,0|2,0,0]=4 1506 B12R2.1081 NC1CCCc2c1cccc2 Amb1154594 [0,0,0,2,0,0|2,0,0]=4 1507 B12R2.1081 NC1CCCc2ccccc21 Amb24273096 [0,0,0,2,0,0|2,0,0]=4 1508 B12R2.1081 N[C@@H]1CCCc2c1cccc2 Amb10844952 [0,0,0,2,0,0|2,0,0]=4 1509 B12R2.1081 N[C@@H]1CCCc2ccccc21 Amb22167169 [0,0,0,2,0,0|2,0,0]=4 1510 B12R2.1081 N[C@H]1CCCc2[n]cccc21 Amb24068676 [0,0,0,2,0,0|2,0,0]=4 1511 B12R2.1081 N[C@H]1CCCc2ccccc21 Amb19929634 [0,0,0,2,0,0|2,0,0]=4 1512 B12R2.1081 Nc1cccc2c1CCCC2 Amb1088906 [0,0,0,2,0,0|1,0,1]=4 1513 B12R2.1081 O=C1C=CC=C2NCCCN21 Amb19516189 [0,0,0,2,0,0|2,0,0]=4 1514 B12R2.1081 O=C1C=CC=C2NCCCN21 Amb19516338 [0,0,0,2,0,0|2,0,0]=4 1515 B12R2.1081 O=C1C=CCN2CCCCC21 Amb24646573 [0,0,0,2,0,0|1,0,1]=4 1516 B12R2.1081 O=C1C=CCN2CCCC[C@@H]21 Amb24676743 [0,0,0,2,0,0|1,0,1]=4 1517 B12R2.1081 O=C1C=CNC=2CCCCC21 Amb22749082 [0,0,0,2,0,0|1,0,1]=4 1518 B12R2.1081 O=C1C=COC2CCCCC12 Amb24722921 [0,0,0,2,0,0|1,0,1]=4 1519 B12R2.1081 O=C1C=CSC=2CCCCC21 Amb25295224 [0,0,0,2,0,0|1,0,1]=4 1520 B12R2.1081 O=C1CCCC2CCCC=C12 Amb25028197 [0,0,0,2,0,0|0,0,2]=4 1521 B12R2.1081 O=C1CCC[13c]2[13cH][13cH][13cH][13cH][13c]21 Amb22056230 [0,0,0,2,0,0|0,0,2]=4 1522 B12R2.1081 O=C1CCC[C@H]2CCC=C[C@H]12 Amb24620045 [0,0,0,2,0,0|0,0,2]=4 1523 B12R2.1081 O=C1CCC[n+]2c1cccc2 Amb16191924 [0,0,0,2,0,0|1,0,1]=4 1524 B12R2.1081 O=C1CCCc2[n]cccc21 Amb19515604 [0,0,0,2,0,0|1,0,1]=4 1525 B12R2.1081 O=c1cccc2NCCC[n]21 Amb22227688 [0,0,0,2,0,0|2,0,0]=4 1526 B12R2.1081 O=c1cccc2NCCC[n]21 Amb22227689 [0,0,0,2,0,0|2,0,0]=4 1527 B12R2.1081 OC1CCCc2c1cccc2 Amb1151324 [0,0,0,2,0,0|2,0,0]=4 1528 B12R2.1081 O[C@@H]1CCCc2ccccc21 Amb22337827 [0,0,0,2,0,0|2,0,0]=4 1529 B12R2.1081 O[C@H]1CCCc2[n]cccc21 Amb24386952 [0,0,0,2,0,0|2,0,0]=4 1530 B12R2.1081 O[C@H]1CCCc2ccccc21 Amb22336192 [0,0,0,2,0,0|2,0,0]=4 1531 B12R2.1081 Oc1cccc2c1CCCC2 Amb2041248 [0,0,0,2,0,0|0,0,2]=4 1532 B12R2.1081 [NH3+]C1CCCc2ccccc21 Amb24113843 [0,0,0,2,0,0|2,0,0]=4 1533 B12R2.1 BrCC1CCc2ccccc21 Amb22500999 [0,0,0,2,0,0|2,0,0]=4 1534 B12R2.1 CCC1CCc2[n]cc[n]c21 Amb24104477 [0,0,0,2,0,0|2,0,0]=4 1535 B12R2.1 CCC1CCc2ccccc21 Amb20248519 [0,0,0,2,0,0|1,0,0]=3 1536 B12R2.1 CCC1NCc2ccccc21 Amb24377125 [0,0,0,2,0,0|2,0,0]=4 1537 B12R2.1 CCC1SCc2ccccc21 Amb24092839 [0,0,0,2,0,0|2,0,0]=4 1538 B12R2.1 CCN1CCc2ccccc12 Amb17689295 [0,0,0,2,0,0|2,0,0]=4 1539 B12R2.1 CNC1CCc2c1cccc2 Amb1117068 [0,0,0,2,0,0|2,0,0]=4 1540 B12R2.1 CNC1CCc2ccccc21 Amb22757336 [0,0,0,2,0,0|2,0,0]=4 1541 B12R2.1 CN[C@@H]1CCc2ccccc21 Amb25808104 [0,0,0,2,0,0|2,0,0]=4 1542 B12R2.1 CSC1CCc2ccccc21 Amb24684843 [0,0,0,2,0,0|2,0,0]=4 1543 B12R2.1 ClCC1CCc2[n]cccc21 Amb24609570 [0,0,0,2,0,0|2,0,0]=4 1544 B12R2.1 ClCC1CCc2ccccc21 Amb22500998 [0,0,0,2,0,0|2,0,0]=4 1545 B12R2.1 ICC1CCc2ccccc21 Amb24721376 [0,0,0,2,0,0|2,0,0]=4 1546 B12R2.1 NCC1CCc2ccccc21 Amb22500956 [0,0,0,2,0,0|2,0,0]=4 1547 B12R2.1 O=CC1=CC[C@H]2CCCC[C@H]12 Amb24640213 [0,0,0,2,0,0|0,0,2]=4 1548 B12R2.1 O=C[n]1ccc2CCCCc12 Amb25757008 [0,0,0,2,0,0|1,0,1]=4 1549 B12R2.1 O=Cc1[nH]cc2CCCCc12 Amb24543441 [0,0,0,2,0,0|1,0,1]=4 1550 B12R2.1 O=Cc1[n]cc2CCCC[n]12 Amb24070838 [0,0,0,2,0,0|2,0,0]=4 1551 B12R2.1 O=Cc1cc[n]2CCCCc21 Amb18202093 [0,0,0,2,0,0|1,0,1]=4 1552 B12R2.1 O=Cc1ccc2CCCC[n]21 Amb18202092 [0,0,0,2,0,0|1,0,0]=3 1553 B12R2.1 O=Cc1ccc2COCC[n]21 Amb18201769 [0,0,0,2,0,0|2,0,0]=4 1554 B12R2.1 O=Cc1cnc2n1CCCC2 Amb16230471 [0,0,0,2,0,0|2,0,0]=4 1555 B12R2.1 O=Cc1coc2CCCCc21 Amb18201951 [0,0,0,2,0,0|1,0,1]=4 1556 B12R2.1 O=Cc1csc2c1CCCC2 Amb10075483 [0,0,0,2,0,0|1,0,1]=4 1557 B12R2.1 OCC1CCc2[n]cccc21 Amb24616681 [0,0,0,2,0,0|2,0,0]=4 1558 B12R2.1 OCC1CCc2ccccc21 Amb19329220 [0,0,0,2,0,0|2,0,0]=4 1559 B12R2.30 CCC1Cc2cc[s]c2C1=O Amb24509806 [0,0,0,2,0,0|1,0,1]=4 1560 B12R2.44 CCC1Cc2cc[nH]c2CC1 Amb25229807 [0,0,0,2,0,0|2,0,0]=4 1561 B12R2.44 O=Cc1ccc2CCCc2[n]1 Amb23455029 [0,0,0,2,0,0|1,0,1]=4 1562 B12R2.55 CC1CC1[n]2c[n]cc2C=O Amb24660005 [0,0,0,2,0,0|2,0,0]=4 1563 B12R2.82 CC1CCc2[s]ccc2C1=O Amb18561654 [0,0,0,2,0,0|1,0,1]=4 1564 B12R2.82 CC1CCc2occc2C1=O Amb25724309 [0,0,0,2,0,0|1,0,1]=4 1565 B12R2.82 CN1CC[n]2cccc2C1=O Amb24084743 [0,0,0,2,0,0|2,0,0]=4 1566 B12R2.83 O=C1CCC2CCCN2C=C1 Amb24676734 [0,0,0,2,0,0|1,0,1]=4 1567 B12R2.83 O=C1CCC=2CCCC2C=C1 Amb25792969 [0,0,0,2,0,0|0,0,2]=4 1568 B12R2.324 O=Cc1c[n]c[n]1CC2CC2 Amb24692417 [0,0,0,2,0,0|2,0,0]=4 1569 B12R2.324 O=Cc1cc[n][n]1CC2CC2 Amb21856203 [0,0,0,2,0,0|2,0,0]=4 1570 B12R2.367 CN1CC[n]2c1ccc2C=O Amb18201946 [0,0,0,2,0,0|2,0,0]=4 1571 B12R2.2140 O=Cc1c[n]c[n]1C2CCC2 Amb24445631 [0,0,0,2,0,0|2,0,0]=4 1572 B12R2.2140 O=Cc1ccc[n]1C2CCC2 Amb24475247 [0,0,0,2,0,0|1,0,0]=3 1573 B12R2.3971 O=CC12CC=CC1CCCC2 Amb24690723 [0,0,0,2,0,0|0,0,2]=4 1574 B12R2.3971 O=C[C@@]12CC=CC[C@@H]1CCC2 Amb24539276 [0,0,0,2,0,0|0,0,2]=4 1575 B12R2.3971 O=C[C@@]12CC=C[C@@H]1CCCC2 Amb24587458 [0,0,0,2,0,0|0,0,2]=4 1576 B12R2.1067 O=C1NC2C=CCCCCC12 Amb25311294 [0,0,0,2,0,0|1,0,1]=4 1577 B12R2.8 O=C1C=CSC12CCCCC2 Amb24707057 [0,0,0,2,0,0|1,0,1]=4 1578 B12R2.11 Br[C@@H]1C[C@@H]1Cc2ccccc2 Amb25280103 [0,0,0,2,0,0|2,0,0]=4 1579 B12R2.11 CC1CC1Nc2cccc[n]2 Amb18962548 [0,0,0,2,0,0|2,0,0]=4 1580 B12R2.11 CC1CC1Nc2ccccc2 Amb24743217 [0,0,0,2,0,0|2,0,0]=4 1581 B12R2.11 C[C@@H]1C[C@H]1Nc2cccc[n]2 Amb24458447 [0,0,0,2,0,0|2,0,0]=4 1582 B12R2.11 C[C@H]1C[C@@H]1Nc2ccccc2 Amb24581235 [0,0,0,2,0,0|2,0,0]=4 1583 B12R2.11 NC1CC1Cc2ccccc2 Amb18960797 [0,0,0,2,0,0|2,0,0]=4 1584 B12R2.11 NC1CC1Cc2ccccc2 Amb19375025 [0,0,0,2,0,0|2,0,0]=4 1585 B12R2.11 OC1CC1Cc2ccccc2 Amb25145316 [0,0,0,2,0,0|2,0,0]=4 1586 B12R2.11 O[C@H]1C[C@@H]1Cc2ccccc2 Amb25326057 [0,0,0,2,0,0|2,0,0]=4 1587 B12R2.23 CC1CNC1c2ccccc2 Amb19338009 [0,0,0,2,0,0|2,0,0]=4 1588 B12R2.23 CC1NCC1c2ccccc2 Amb25842786 [0,0,0,2,0,0|2,0,0]=4 1589 B12R2.23 C[C@@H]1NC[C@H]1c2ccccc2 Amb24618159 [0,0,0,2,0,0|2,0,0]=4 1590 B12R2.23 NC1CCC1c2ccccc2 Amb19335290 [0,0,0,2,0,0|2,0,0]=4 1591 B12R2.23 NC1CCC1c2ccccc2 Amb24120632 [0,0,0,2,0,0|2,0,0]=4 1592 B12R2.23 N[C@@H]1CC[C@H]1c2ccccc2 Amb25174969 [0,0,0,2,0,0|2,0,0]=4 1593 B12R2.23 O=C1CCC1=C2CCCCC2 Amb24607327 [0,0,0,2,0,0|0,0,2]=4 1594 B12R2.23 OC1CCC1c2ccccc2 Amb19374437 [0,0,0,2,0,0|2,0,0]=4 1595 B12R2.23 O[C@@H]1CC[C@H]1c2ccccc2 Amb24620488 [0,0,0,2,0,0|2,0,0]=4 1596 B12R2.27 BrCC1CC1c2ccccc2 Amb25099525 [0,0,0,2,0,0|2,0,0]=4 1597 B12R2.27 CNC1CC1c2ccccc2 Amb18957298 [0,0,0,2,0,0|2,0,0]=4 1598 B12R2.27 CNC1CC1c2ccccc2 Amb20630184 [0,0,0,2,0,0|2,0,0]=4 1599 B12R2.27 CSC1CC1c2ccccc2 Amb25086341 [0,0,0,2,0,0|2,0,0]=4 1600 B12R2.27 ClCC1CC1c2cccc[n]2 Amb24340524 [0,0,0,2,0,0|2,0,0]=4 1601 B12R2.27 NCC1CC1c2cccc[n]2 Amb18963618 [0,0,0,2,0,0|2,0,0]=4 1602 B12R2.27 NCC1CC1c2ccccc2 Amb17232030 [0,0,0,2,0,0|2,0,0]=4 1603 B12R2.27 NCC1CC1c2ccccc2 Amb19515036 [0,0,0,2,0,0|2,0,0]=4 1604 B12R2.27 NC[C@@H]1CC1c2ccccc2 Amb17605571 [0,0,0,2,0,0|2,0,0]=4 1605 B12R2.27 NC[C@@H]1C[C@H]1c2ccccc2 Amb24514797 [0,0,0,2,0,0|2,0,0]=4 1606 B12R2.27 NC[C@H]1C[C@@H]1c2ccccc2 Amb24606663 [0,0,0,2,0,0|2,0,0]=4 1607 B12R2.27 OCC1CC1c2cccc[n]2 Amb23536863 [0,0,0,2,0,0|2,0,0]=4 1608 B12R2.27 OCC1CC1c2ccccc2 Amb17605543 [0,0,0,2,0,0|2,0,0]=4 1609 B12R2.2057 C(NC1CC1)c2ccccc2 Amb19515725 [0,0,0,2,0,0|2,0,0]=4 1610 B12R2.2057 C(Nc1cccc[n]1)C2CC2 Amb22586406 [0,0,0,2,0,0|2,0,0]=4 1611 B12R2.2057 C(Nc1ccccc1)C2CC2 Amb22586372 [0,0,0,2,0,0|2,0,0]=4 1612 B12R2.2057 C(Oc1cccc[n]1)C2CC2 Amb24725808 [0,0,0,2,0,0|2,0,0]=4 1613 B12R2.2057 C(Oc1ccccc1)C2CC2 Amb22752457 [0,0,0,2,0,0|2,0,0]=4 1614 B12R2.2057 C(SC1CC1)c2ccccc2 Amb25824339 [0,0,0,2,0,0|2,0,0]=4 1615 B12R2.2057 C(Sc1cccc[n]1)C2CC2 Amb24590799 [0,0,0,2,0,0|2,0,0]=4 1616 B12R2.2057 C1CC1CNc2ccccc2 Amb2383311 [0,0,0,2,0,0|2,0,0]=4 1617 B12R2.2057 C1OC1CCc2cccc[n]2 Amb24450397 [0,0,0,2,0,0|2,0,0]=4 1618 B12R2.2057 C1OC1CCc2ccccc2 Amb24105379 [0,0,0,2,0,0|2,0,0]=4 1619 B12R2.2057 c1ccc(nc1)NCC2CC2 Amb2382987 [0,0,0,2,0,0|2,0,0]=4 1620 B12R2.2058 B1CC(C1)Cc2ccccc2 Amb25243383 [0,0,0,2,0,0|2,0,0]=4 1621 B12R2.2058 C(C1CCN1)c2ccccc2 Amb20623701 [0,0,0,2,0,0|2,0,0]=4 1622 B12R2.2058 C1CC(C1)C[n+]2ccccc2 Amb10554487 [0,0,0,2,0,0|2,0,0]=4 1623 B12R2.2058 C1CC(C1)Sc2ccccc2 Amb10976023 [0,0,0,2,0,0|2,0,0]=4 1624 B12R2.2058 C1CCC1Nc2cccc[n]2 Amb18285901 [0,0,0,2,0,0|2,0,0]=4 1625 B12R2.2058 C1CCC1Nc2ccccc2 Amb18283820 [0,0,0,2,0,0|2,0,0]=4 1626 B12R2.2058 C1NCC1Cc2cccc[n]2 Amb23598870 [0,0,0,2,0,0|2,0,0]=4 1627 B12R2.2058 C1NCC1Cc2ccccc2 Amb19373673 [0,0,0,2,0,0|2,0,0]=4 1628 B12R2.2058 N1CC(C1)Cc2ccccc2 Amb1123190 [0,0,0,2,0,0|2,0,0]=4 1629 B12R2.18 C[C@@H]1Cc2ccccc2C1=O Amb25282759 [0,0,0,2,0,0|0,0,2]=4 1630 B12R2.377 CC1CC2CC1CC=C2C=O Amb25028189 [0,0,0,2,0,0|0,0,2]=4 1631 B12R2.2048 O=Cc1ccc[n]c1C2CC2 Amb23560754 [0,0,0,2,0,0|1,0,1]=4 1632 B12R2.1114 O=C1NC=CN1CC2CCC2 Amb25106328 [0,0,0,2,0,0|2,0,0]=4 1633 B12R2.1114 O=C1SC=CN1CC2CCC2 Amb24351296 [0,0,0,2,0,0|2,0,0]=4 1634 B12R2.586 Brc1[s]cc2CCCCCc21 Amb18160345 [0,0,0,2,0,0|2,0,0]=4 1635 B12R2.586 Nc1c[s]c2CCCCCc21 Amb25228289 [0,0,0,2,0,0|2,0,0]=4 1636 B12R2.586 O=C1C=CC2CCCCCC12 Amb25128860 [0,0,0,2,0,0|0,0,2]=4 1637 B12R2.586 O=C1C=C[C@@H]2CCCCC[C@@H]12 Amb24583581 [0,0,0,2,0,0|0,0,2]=4 1638 B12R2.586 O=C1C=C[C@@H]2CCCCC[C@H]12 Amb24698879 [0,0,0,2,0,0|0,0,2]=4 1639 B12R2.586 O=C1CCC2C=CC=CC=C12 Amb25205464 [0,0,0,2,0,0|0,0,2]=4 1640 B12R2.586 O=C1CCC2CCCCC=C12 Amb25773390 [0,0,0,2,0,0|0,0,2]=4 1641 B12R2.586 O=C1CCC=2CC=CC=CC21 Amb24097416 [0,0,0,2,0,0|0,0,2]=4 1642 B12R2.586 O=C1CCC=2CCC=CCC21 Amb25066377 [0,0,0,2,0,0|0,0,2]=4 1643 B12R2.586 O=C1CCC=2CCCCCC21 Amb24486457 [0,0,0,2,0,0|0,0,2]=4 1644 B12R2.586 O=C1CC[C@H]2CCC=CCN12 Amb24062065 [0,0,0,2,0,0|1,0,1]=4 1645 B12R2.586 O=C1CC[C@H]2CCC=CC[C@H]12 Amb24586790 [0,0,0,2,0,0|0,0,2]=4 1646 B12R2.586 O=C1COC=2CCCCCC21 Amb25072762 [0,0,0,2,0,0|1,0,1]=4 1647 B12R2.1083 CC12CCCC1CC=CC2=O Amb25730234 [0,0,0,2,0,0|0,0,2]=4 1648 B12R2.114 O=C1C[C@@H]2CCCC2=CCC1 Amb24646606 [0,0,0,2,0,0|0,0,2]=4 1649 B12R2.2017 C1CCCC2=CC=CC=C1N2 Amb25213582 [0,0,0,2,0,0|1,0,1]=4 1650 B12R2.4839 OCC1C2C=CC=CC=CC21 Amb25149672 [0,0,0,2,0,0|2,0,0]=4 1651 B12R2.4839 OC[C@@H]1[C@@H]2C=CC=CC=C[C@@H]21 Amb25306288 [0,0,0,2,0,0|2,0,0]=4 1652 B12R2.96 C[C@H]1CCC[C@@]12CC=CC2=O Amb25179452 [0,0,0,2,0,0|0,0,2]=4 1653 B12R2.110 CC1CCC1N2C=CNC2=O Amb24691103 [0,0,0,2,0,0|2,0,0]=4 1654 B12R2.305 CCC1CC1N2C=CNC2=O Amb25148178 [0,0,0,2,0,0|2,0,0]=4 1655 B12R2.305 CCC1CC1c2cc[s]c2N Amb25095868 [0,0,0,2,0,0|2,0,0]=4