0 B7R0.1 B\C=C\C=C\C=C\N Amb28068718 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.1 BrCC\C=C\CCBr Amb17612549 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.1 BrC\C=C\C=C\CBr Amb28286695 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.1 C#CCC\C=C\CC Amb33267869 [0,0,0,0,0,0|1,0,3]=4 4 B7R0.1 C#CC\C=C\CCC Amb33424838 [0,0,0,0,0,0|1,0,3]=4 5 B7R0.1 C#C\C=C\C=C\C=O Amb27968252 [0,0,0,0,0,0|0,0,4]=4 6 B7R0.1 C#C\C=C\C=C\CBr Amb27845447 [0,0,0,0,0,0|1,0,2]=3 7 B7R0.1 C#C\C=C\C=C\CO Amb28065184 [0,0,0,0,0,0|0,0,2]=2 8 B7R0.1 C#C\C=C\CCCO Amb10605296 [0,0,0,0,0,0|0,0,4]=4 9 B7R0.1 C#C\C=C\CNCC Amb25175071 [0,0,0,0,0,0|2,0,2]=4 10 B7R0.1 C=CCC\C=C\CO Amb27406831 [0,0,0,0,0,0|0,0,4]=4 11 B7R0.1 C=CC\C=C\CCC Amb4035888 [0,0,0,0,0,0|1,0,3]=4 12 B7R0.1 C=C\C=C/C=C/C=O Amb27166172 [0,0,0,0,0,0|0,0,4]=4 13 B7R0.1 C=C\C=C\C=C\CBr Amb27659022 [0,0,0,0,0,0|1,0,2]=3 14 B7R0.1 C=C\C=C\CCCC Amb22729011 [0,0,0,0,0,0|1,0,3]=4 15 B7R0.1 CC#CC\C=C\CO Amb27969438 [0,0,0,0,0,0|0,0,3]=3 16 B7R0.1 CC=C=C\C=C\CO Amb27853778 [0,0,0,0,0,0|0,0,2]=2 17 B7R0.1 CCC#CC#CCO Amb27946590 [0,0,0,0,0,0|0,0,4]=4 18 B7R0.1 CCC#C\C=C\CBr Amb27637753 [0,0,0,0,0,0|1,0,2]=3 19 B7R0.1 CCC#C\C=C\CO Amb17779113 [0,0,0,0,0,0|0,0,2]=2 20 B7R0.1 CCCC#CCCO Amb2721487 [0,0,0,0,0,0|0,0,4]=4 21 B7R0.1 CCCC=C=CCN Amb27838307 [0,0,0,0,0,0|1,0,2]=3 22 B7R0.1 CCCCCCCO Amb6608791 [0,0,0,0,0,0|0,0,4]=4 23 B7R0.1 CCCCCNCO Amb28133981 [0,0,0,0,0,0|1,0,3]=4 24 B7R0.1 CCCCC\C=N\O Amb27477089 [0,0,0,0,0,0|1,0,3]=4 25 B7R0.1 CCCCNCCO Amb2685641 [0,0,0,0,0,0|1,0,3]=4 26 B7R0.1 CCCCOCCO Amb3939290 [0,0,0,0,0,0|1,0,3]=4 27 B7R0.1 CCCCSCCO Amb1032995 [0,0,0,0,0,0|1,0,3]=4 28 B7R0.1 CCCC\C=C\C#N Amb18641342 [0,0,0,0,0,0|1,0,3]=4 29 B7R0.1 CCCC\C=C\C=O Amb2720528 [0,0,0,0,0,0|0,0,4]=4 30 B7R0.1 CCCC\C=C\CN Amb25175053 [0,0,0,0,0,0|1,0,2]=3 31 B7R0.1 CCCC\C=C\CO Amb8514979 [0,0,0,0,0,0|0,0,2]=2 32 B7R0.1 CCCC\N=C\CCl Amb28141548 [0,0,0,0,0,0|2,0,2]=4 33 B7R0.1 CCCNCCCO Amb6733725 [0,0,0,0,0,0|1,0,3]=4 34 B7R0.1 CCCNOCCO Amb28139467 [0,0,0,0,0,0|2,0,2]=4 35 B7R0.1 CCCN\C=C\C#N Amb27424747 [0,0,0,0,0,0|2,0,2]=4 36 B7R0.1 CCCOCCCO Amb19962968 [0,0,0,0,0,0|1,0,3]=4 37 B7R0.1 CCCONCCO Amb27455527 [0,0,0,0,0,0|2,0,2]=4 38 B7R0.1 CCCSC#CCO Amb27835121 [0,0,0,0,0,0|1,0,3]=4 39 B7R0.1 CCCSCCCO Amb9370793 [0,0,0,0,0,0|1,0,3]=4 40 B7R0.1 CCCSSCCO Amb27185480 [0,0,0,0,0,0|2,0,2]=4 41 B7R0.1 CCC\C=C/CCC Amb27838401 [0,0,0,0,0,0|1,0,2]=3 42 B7R0.1 CCC\C=C/CCO Amb22052625 [0,0,0,0,0,0|0,0,2]=2 43 B7R0.1 CCC\C=C\C=C\Cl Amb27657659 [0,0,0,0,0,0|1,0,2]=3 44 B7R0.1 CCC\C=C\CC#N Amb33172503 [0,0,0,0,0,0|1,0,3]=4 45 B7R0.1 CCC\C=C\CC=O Amb32954538 [0,0,0,0,0,0|0,0,4]=4 46 B7R0.1 CCC\C=C\CCBr Amb33242599 [0,0,0,0,0,0|1,0,2]=3 47 B7R0.1 CCC\C=C\CCC Amb9134769 [0,0,0,0,0,0|1,0,2]=3 48 B7R0.1 CCC\C=C\CCCl Amb32686957 [0,0,0,0,0,0|1,0,2]=3 49 B7R0.1 CCC\C=C\CCN Amb25221747 [0,0,0,0,0,0|1,0,2]=3 50 B7R0.1 CCC\C=C\CCO Amb22730273 [0,0,0,0,0,0|0,0,2]=2 51 B7R0.1 CCC\C=C\CCS Amb33373718 [0,0,0,0,0,0|0,1,2]=3 52 B7R0.1 CCC\C=C\CNC Amb33172653 [0,0,0,0,0,0|2,0,2]=4 53 B7R0.1 CCC\C=C\CNN Amb33425693 [0,0,0,0,0,0|2,0,2]=4 54 B7R0.1 CCC\C=C\CNO Amb33327497 [0,0,0,0,0,0|1,0,2]=3 55 B7R0.1 CCC\C=C\CON Amb33424912 [0,0,0,0,0,0|2,0,2]=4 56 B7R0.1 CCC\C=C\N=C=O Amb25260726 [0,0,0,0,0,0|1,0,3]=4 57 B7R0.1 CCC\C=C\N=[N+]=[N-] Amb25232268 [0,0,0,0,0,0|3,0,1]=4 58 B7R0.1 CCC\C=C\OCC Amb25074036 [0,0,0,0,0,0|2,0,1]=3 59 B7R0.1 CCC\C=N\CCO Amb28207113 [0,0,0,0,0,0|1,0,2]=3 60 B7R0.1 CCC\C=N\OCC Amb27880086 [0,0,0,0,0,0|3,0,1]=4 61 B7R0.1 CCNCCCCO Amb3940019 [0,0,0,0,0,0|1,0,3]=4 62 B7R0.1 CCNC\C=C/CO Amb28072875 [0,0,0,0,0,0|1,0,1]=2 63 B7R0.1 CCNC\C=C\CN Amb27972499 [0,0,0,0,0,0|2,0,1]=3 64 B7R0.1 CCOCCCCO Amb19148112 [0,0,0,0,0,0|1,0,3]=4 65 B7R0.1 CCOC\C=C\CO Amb25221278 [0,0,0,0,0,0|1,0,1]=2 66 B7R0.1 CCOC\C=C\CS Amb28254606 [0,0,0,0,0,0|1,1,1]=3 67 B7R0.1 CCONCCCO Amb28319900 [0,0,0,0,0,0|2,0,2]=4 68 B7R0.1 CCO\C=C/OCC Amb30621788 [0,0,0,0,0,0|3,0,0]=3 69 B7R0.1 CCO\C=C\C=C/Br Amb27858991 [0,0,0,0,0,0|2,0,1]=3 70 B7R0.1 CCO\C=C\C=C\Br Amb28138073 [0,0,0,0,0,0|2,0,1]=3 71 B7R0.1 CCO\C=C\CCO Amb28189265 [0,0,0,0,0,0|1,0,1]=2 72 B7R0.1 CCO\C=C\OCC Amb30621723 [0,0,0,0,0,0|3,0,0]=3 73 B7R0.1 CCSCCCCO Amb9370799 [0,0,0,0,0,0|1,0,3]=4 74 B7R0.1 CCSC\C=C\C=O Amb33323727 [0,0,0,0,0,0|1,0,3]=4 75 B7R0.1 CCSC\C=C\CN Amb33474425 [0,0,0,0,0,0|2,0,1]=3 76 B7R0.1 CCSC\C=C\CO Amb33475304 [0,0,0,0,0,0|1,0,1]=2 77 B7R0.1 CC\C=C/CCCO Amb22053865 [0,0,0,0,0,0|0,0,2]=2 78 B7R0.1 CC\C=C\C#CCO Amb28206471 [0,0,0,0,0,0|0,0,2]=2 79 B7R0.1 CC\C=C\C=C\C=O Amb8392847 [0,0,0,0,0,0|0,0,2]=2 80 B7R0.1 CC\C=C\C=C\CN Amb33267973 [0,0,0,0,0,0|1,0,0]=1 81 B7R0.1 CC\C=C\C=C\CO Amb32953372 [0,0,0,0,0,0|0,0,0]=0 82 B7R0.1 CC\C=C\CCC#N Amb33172608 [0,0,0,0,0,0|1,0,3]=4 83 B7R0.1 CC\C=C\CCC=O Amb27390797 [0,0,0,0,0,0|0,0,4]=4 84 B7R0.1 CC\C=C\CCCBr Amb27232700 [0,0,0,0,0,0|1,0,2]=3 85 B7R0.1 CC\C=C\CCCC Amb19930202 [0,0,0,0,0,0|1,0,2]=3 86 B7R0.1 CC\C=C\CCCCl Amb28410595 [0,0,0,0,0,0|1,0,2]=3 87 B7R0.1 CC\C=C\CCCN Amb33474692 [0,0,0,0,0,0|1,0,2]=3 88 B7R0.1 CC\C=C\CCCO Amb33172698 [0,0,0,0,0,0|0,0,2]=2 89 B7R0.1 CC\C=C\CCCS Amb32882557 [0,0,0,0,0,0|0,1,2]=3 90 B7R0.1 CC\C=C\CCNC Amb32953435 [0,0,0,0,0,0|2,0,2]=4 91 B7R0.1 CC\C=C\CCNN Amb27435651 [0,0,0,0,0,0|2,0,2]=4 92 B7R0.1 CC\C=C\CCON Amb33268245 [0,0,0,0,0,0|2,0,2]=4 93 B7R0.1 CC\C=C\CCSC Amb27397344 [0,0,0,0,0,0|2,0,2]=4 94 B7R0.1 CC\C=C\CN=C=O Amb33449407 [0,0,0,0,0,0|1,0,3]=4 95 B7R0.1 CC\C=C\CN=C=S Amb27431907 [0,0,0,0,0,0|1,1,2]=4 96 B7R0.1 CC\C=C\CN=[N+]=[N-] Amb32953646 [0,0,0,0,0,0|3,0,1]=4 97 B7R0.1 CC\C=N\CCCC Amb27946052 [0,0,0,0,0,0|2,0,2]=4 98 B7R0.1 CC\C=N\OCCCl Amb27770489 [0,0,0,0,0,0|3,0,1]=4 99 B7R0.1 CN\C=C/C=C\C#N Amb18123087 [0,0,0,0,0,0|2,0,1]=3 100 B7R0.1 CN\C=C\C=C\C#N Amb28072925 [0,0,0,0,0,0|2,0,1]=3 101 B7R0.1 COCC\C=C\CCl Amb10844762 [0,0,0,0,0,0|2,0,2]=4 102 B7R0.1 COCC\C=C\CN Amb33474375 [0,0,0,0,0,0|2,0,2]=4 103 B7R0.1 COCC\C=C\CO Amb32954125 [0,0,0,0,0,0|1,0,2]=3 104 B7R0.1 CSCC\C=C\CN Amb33198278 [0,0,0,0,0,0|2,0,2]=4 105 B7R0.1 CSCC\C=C\CO Amb33198279 [0,0,0,0,0,0|1,0,2]=3 106 B7R0.1 C\C=C/CCCCO Amb4019856 [0,0,0,0,0,0|0,0,4]=4 107 B7R0.1 C\C=C\C#CCCO Amb15695309 [0,0,0,0,0,0|0,0,4]=4 108 B7R0.1 C\C=C\C=C\CCBr Amb28201639 [0,0,0,0,0,0|1,0,2]=3 109 B7R0.1 C\C=C\C=C\CCC Amb27493119 [0,0,0,0,0,0|1,0,2]=3 110 B7R0.1 C\C=C\C=C\CCN Amb28245294 [0,0,0,0,0,0|1,0,2]=3 111 B7R0.1 C\C=C\C=C\CCO Amb27459750 [0,0,0,0,0,0|0,0,2]=2 112 B7R0.1 C\C=C\CSCCO Amb9362982 [0,0,0,0,0,0|1,0,3]=4 113 B7R0.1 C\C=C\C\C=C\C=O Amb27202097 [0,0,0,0,0,0|0,0,4]=4 114 B7R0.1 C\C=C\C\C=C\CBr Amb28051944 [0,0,0,0,0,0|1,0,2]=3 115 B7R0.1 ClC=C=C\C=C\CCl Amb27962629 [0,0,0,0,0,0|2,0,2]=4 116 B7R0.1 ClCC\C=C\CCCl Amb24481434 [0,0,0,0,0,0|2,0,2]=4 117 B7R0.1 ClC\C=C\C=C\CCl Amb27818096 [0,0,0,0,0,0|2,0,0]=2 118 B7R0.1 ClC\C=C\CCCCl Amb27421977 [0,0,0,0,0,0|2,0,2]=4 119 B7R0.1 Cl\C=C/C=C/C=C/Br Amb28325602 [0,0,0,0,0,0|2,0,2]=4 120 B7R0.1 Cl\C=C\C=C\C=C\Br Amb27192169 [0,0,0,0,0,0|2,0,2]=4 121 B7R0.1 NCCC\C=C/CO Amb27838308 [0,0,0,0,0,0|1,0,2]=3 122 B7R0.1 NCCC\C=C\CO Amb24117506 [0,0,0,0,0,0|1,0,2]=3 123 B7R0.1 NCCC\C=C\CO Amb33734220 [0,0,0,0,0,0|1,0,2]=3 124 B7R0.1 NCCC\C=C\CO Amb33743765 [0,0,0,0,0,0|1,0,2]=3 125 B7R0.1 O=C\C=C/C=C/C=O Amb17593128 [0,0,0,0,0,0|1,0,3]=4 126 B7R0.1 O=C\C=C\C=C\C=O Amb25209344 [0,0,0,0,0,0|1,0,3]=4 127 B7R0.1 O=C\C=C\C=C\CCl Amb28292786 [0,0,0,0,0,0|1,0,2]=3 128 B7R0.1 O=C\C=C\C=C\CO Amb27424442 [0,0,0,0,0,0|1,0,1]=2 129 B7R0.1 OCC\C=C/CCCl Amb27424782 [0,0,0,0,0,0|1,0,2]=3 130 B7R0.1 OCC\C=C\CCO Amb17614949 [0,0,0,0,0,0|1,0,2]=3 131 B7R0.1 OC\C=C/C=C\CO Amb26515771 [0,0,0,0,0,0|1,0,0]=1 132 B7R0.1 OC\C=C/CCCCl Amb27862350 [0,0,0,0,0,0|1,0,2]=3 133 B7R0.1 OC\C=C\C=C\CO Amb33328625 [0,0,0,0,0,0|1,0,0]=1 134 B7R0.1 OC\C=C\CCCO Amb27205649 [0,0,0,0,0,0|1,0,2]=3 135 B7R0.1 O\C=C\C=C\CCO Amb27605420 [0,0,0,0,0,0|1,0,2]=3 136 B7R0.1 [C-]#[N+]CC\C=C\CC Amb33268261 [0,0,0,0,0,0|2,0,2]=4 137 B7R0.1 [C-]#[N+]C\C=C\CCC Amb33327126 [0,0,0,0,0,0|2,0,2]=4 138 B7R0.1 [N-]=[N+]=NC\C=C\CO Amb27635137 [0,0,0,0,0,0|3,0,1]=4 139 B6R0.6 C#CC\C=C\CC Amb33267986 [1,0,0,0,0,0|0,0,3]=4 140 B6R0.6 C#CC\C=C\CO Amb28398942 [1,0,0,0,0,0|0,0,3]=4 141 B6R0.6 C#C\C=C\CCC Amb33424839 [1,0,0,0,0,0|0,0,3]=4 142 B6R0.6 C=CS\C=C\CO Amb27219812 [1,0,0,0,0,0|1,0,1]=3 143 B6R0.6 C=C\C=C\C=C\C Amb27627431 [1,0,0,0,0,0|0,0,2]=3 144 B6R0.6 C=C\C=C\C=C\Cl Amb27656821 [1,0,0,0,0,0|1,0,2]=4 145 B6R0.6 C=C\C=C\CCBr Amb32679337 [1,0,0,0,0,0|1,0,2]=4 146 B6R0.6 C=C\C=C\CCC Amb33171502 [1,0,0,0,0,0|0,0,2]=3 147 B6R0.6 C=C\C=C\CCN Amb18639048 [1,0,0,0,0,0|1,0,2]=4 148 B6R0.6 C=C\C=C\CCN Amb32679368 [1,0,0,0,0,0|1,0,2]=4 149 B6R0.6 C=C\C=C\CCO Amb34916666 [1,0,0,0,0,0|0,0,2]=3 150 B6R0.6 C=C\C=C\CNC Amb25244153 [1,0,0,0,0,0|1,0,2]=4 151 B6R0.6 CC#C\C=C\C=O Amb28050254 [1,0,0,0,0,0|0,0,3]=4 152 B6R0.6 CC#C\C=C\CCl Amb27786901 [1,0,0,0,0,0|1,0,2]=4 153 B6R0.6 CC#C\C=C\CO Amb27808675 [1,0,0,0,0,0|0,0,2]=3 154 B6R0.6 CC=C=CCCI Amb27777241 [1,0,0,0,0,0|1,0,2]=4 155 B6R0.6 CC=C=CCCO Amb25888408 [1,0,0,0,0,0|0,0,2]=3 156 B6R0.6 CCC#CCCO Amb8514641 [1,0,0,0,0,0|0,0,3]=4 157 B6R0.6 CCC#C\C=C\Br Amb27666907 [1,0,0,0,0,0|1,0,2]=4 158 B6R0.6 CCC=C=CC=O Amb27237589 [1,0,0,0,0,0|0,0,2]=3 159 B6R0.6 CCCC=C=CBr Amb27477883 [1,0,0,0,0,0|1,0,2]=4 160 B6R0.6 CCCCCCO Amb3941500 [1,0,0,0,0,0|0,0,3]=4 161 B6R0.6 CCCCOCO Amb24480826 [1,0,0,0,0,0|1,0,2]=4 162 B6R0.6 CCCCSCO Amb27623932 [1,0,0,0,0,0|1,0,2]=4 163 B6R0.6 CCCC\C=C\I Amb25173925 [1,0,0,0,0,0|1,0,2]=4 164 B6R0.6 CCCNCCO Amb3939869 [1,0,0,0,0,0|1,0,2]=4 165 B6R0.6 CCCOCCO Amb3939227 [1,0,0,0,0,0|1,0,2]=4 166 B6R0.6 CCC\C=C/C=O Amb25885814 [1,0,0,0,0,0|0,0,2]=3 167 B6R0.6 CCC\C=C\C=O Amb3940431 [1,0,0,0,0,0|0,0,2]=3 168 B6R0.6 CCC\C=C\CCl Amb27482813 [1,0,0,0,0,0|1,0,1]=3 169 B6R0.6 CCC\C=C\CN Amb33475254 [1,0,0,0,0,0|1,0,1]=3 170 B6R0.6 CCC\C=C\CO Amb32660968 [1,0,0,0,0,0|0,0,1]=2 171 B6R0.6 CCC\C=C\CS Amb33373719 [1,0,0,0,0,0|0,1,1]=3 172 B6R0.6 CCNCCCO Amb6733726 [1,0,0,0,0,0|1,0,2]=4 173 B6R0.6 CCNC\C=C/I Amb23539308 [1,0,0,0,0,0|2,0,1]=4 174 B6R0.6 CCNOCCO Amb28281707 [1,0,0,0,0,0|2,0,1]=4 175 B6R0.6 CCN\C=C/C=O Amb27793118 [1,0,0,0,0,0|1,0,1]=3 176 B6R0.6 CCOCCCO Amb3939322 [1,0,0,0,0,0|1,0,2]=4 177 B6R0.6 CCOC\C=C\Br Amb28244732 [1,0,0,0,0,0|2,0,1]=4 178 B6R0.6 CCO\C=C/C#N Amb16233146 [1,0,0,0,0,0|2,0,1]=4 179 B6R0.6 CCO\C=C/C=O Amb27423444 [1,0,0,0,0,0|1,0,1]=3 180 B6R0.6 CCO\C=C\C#N Amb8514953 [1,0,0,0,0,0|2,0,1]=4 181 B6R0.6 CCO\C=C\C=O Amb18639560 [1,0,0,0,0,0|1,0,1]=3 182 B6R0.6 CCO\C=C\SC Amb30621789 [1,0,0,0,0,0|2,0,0]=3 183 B6R0.6 CCSCCCO Amb3939588 [1,0,0,0,0,0|1,0,2]=4 184 B6R0.6 CC\C=C/CC=O Amb18639157 [1,0,0,0,0,0|0,0,2]=3 185 B6R0.6 CC\C=C/CCC Amb26600858 [1,0,0,0,0,0|0,0,2]=3 186 B6R0.6 CC\C=C/CCCl Amb27815138 [1,0,0,0,0,0|1,0,1]=3 187 B6R0.6 CC\C=C/CCI Amb28399922 [1,0,0,0,0,0|1,0,1]=3 188 B6R0.6 CC\C=C/CCO Amb2720771 [1,0,0,0,0,0|0,0,1]=2 189 B6R0.6 CC\C=C\C=C/Br Amb27392254 [1,0,0,0,0,0|1,0,0]=2 190 B6R0.6 CC\C=C\C=C\Br Amb27233492 [1,0,0,0,0,0|1,0,0]=2 191 B6R0.6 CC\C=C\CC#N Amb33224095 [1,0,0,0,0,0|1,0,2]=4 192 B6R0.6 CC\C=C\CCBr Amb17570067 [1,0,0,0,0,0|1,0,1]=3 193 B6R0.6 CC\C=C\CCC Amb19930065 [1,0,0,0,0,0|0,0,2]=3 194 B6R0.6 CC\C=C\CCCl Amb27452933 [1,0,0,0,0,0|1,0,1]=3 195 B6R0.6 CC\C=C\CCN Amb17569886 [1,0,0,0,0,0|1,0,1]=3 196 B6R0.6 CC\C=C\CCO Amb3940339 [1,0,0,0,0,0|0,0,1]=2 197 B6R0.6 CC\C=C\CCS Amb32882654 [1,0,0,0,0,0|0,1,1]=3 198 B6R0.6 CC\C=C\CNC Amb26618015 [1,0,0,0,0,0|1,0,1]=3 199 B6R0.6 CC\C=C\CNN Amb33269453 [1,0,0,0,0,0|2,0,1]=4 200 B6R0.6 CC\C=C\CNO Amb33225042 [1,0,0,0,0,0|1,0,1]=3 201 B6R0.6 CC\C=C\CON Amb33268661 [1,0,0,0,0,0|2,0,1]=4 202 B6R0.6 CC\C=C\OCC Amb33986090 [1,0,0,0,0,0|1,0,1]=3 203 B6R0.6 CNC\C=C\CCl Amb28050469 [1,0,0,0,0,0|2,0,1]=4 204 B6R0.6 COC\C=C\C=O Amb33473884 [1,0,0,0,0,0|1,0,2]=4 205 B6R0.6 COC\C=C\CBr Amb28050318 [1,0,0,0,0,0|2,0,1]=4 206 B6R0.6 COC\C=C\CN Amb28341719 [1,0,0,0,0,0|2,0,1]=4 207 B6R0.6 COC\C=C\CO Amb33428788 [1,0,0,0,0,0|1,0,1]=3 208 B6R0.6 CO\C=C\C=C/Cl Amb27863084 [1,0,0,0,0,0|2,0,0]=3 209 B6R0.6 CSC\C=C\C=O Amb33271737 [1,0,0,0,0,0|1,0,2]=4 210 B6R0.6 CSC\C=C\CCl Amb27473343 [1,0,0,0,0,0|2,0,1]=4 211 B6R0.6 CSC\C=C\CN Amb33474032 [1,0,0,0,0,0|2,0,1]=4 212 B6R0.6 CSC\C=C\CO Amb33079758 [1,0,0,0,0,0|1,0,1]=3 213 B6R0.6 C\C=C/CCCC Amb24467666 [1,0,0,0,0,0|0,0,2]=3 214 B6R0.6 C\C=C/CCCN Amb27658374 [1,0,0,0,0,0|1,0,2]=4 215 B6R0.6 C\C=C/CCCO Amb17614951 [1,0,0,0,0,0|0,0,2]=3 216 B6R0.6 C\C=C\C=C\C#N Amb2720975 [1,0,0,0,0,0|1,0,1]=3 217 B6R0.6 C\C=C\C=C\C=O Amb33986154 [1,0,0,0,0,0|0,0,2]=3 218 B6R0.6 C\C=C\C=C\CBr Amb27433479 [1,0,0,0,0,0|1,0,0]=2 219 B6R0.6 C\C=C\C=C\CCl Amb32652238 [1,0,0,0,0,0|1,0,0]=2 220 B6R0.6 C\C=C\C=C\CN Amb18639062 [1,0,0,0,0,0|1,0,0]=2 221 B6R0.6 C\C=C\C=C\CN Amb24117256 [1,0,0,0,0,0|1,0,0]=2 222 B6R0.6 C\C=C\C=C\CO Amb27848287 [1,0,0,0,0,0|0,0,0]=1 223 B6R0.6 C\C=C\CCCC Amb8515158 [1,0,0,0,0,0|0,0,2]=3 224 B6R0.6 C\C=C\CCCI Amb25837122 [1,0,0,0,0,0|1,0,2]=4 225 B6R0.6 C\C=C\CCCO Amb22347882 [1,0,0,0,0,0|0,0,2]=3 226 B6R0.6 C\C=C\SCCC Amb22168314 [1,0,0,0,0,0|1,0,1]=3 227 B6R0.6 C\C=C\SSSC Amb26533859 [1,0,0,0,0,0|3,0,0]=4 228 B6R0.6 C\C=C\S\C=C\C Amb27210562 [1,0,0,0,0,0|1,0,1]=3 229 B6R0.6 C\C=N\NCCO Amb25888442 [1,0,0,0,0,0|2,0,1]=4 230 B6R0.6 N#CC\C=C\CO Amb27604469 [1,0,0,0,0,0|1,0,2]=4 231 B6R0.6 NC\C=C\CCF Amb33196118 [1,0,0,0,0,0|2,0,1]=4 232 B6R0.6 NC\C=C\CCN Amb24113141 [1,0,0,0,0,0|2,0,1]=4 233 B6R0.6 NC\C=C\CCN Amb24113896 [1,0,0,0,0,0|2,0,1]=4 234 B6R0.6 NC\C=C\CCO Amb27969293 [1,0,0,0,0,0|1,0,1]=3 235 B6R0.6 N\C=C/C=C/C=O Amb27838284 [1,0,0,0,0,0|1,0,2]=4 236 B6R0.6 N\C=C\C=C\C=O Amb27873733 [1,0,0,0,0,0|1,0,2]=4 237 B6R0.6 O=C=C\C=C/C=O Amb28128301 [1,0,0,0,0,0|1,0,2]=4 238 B6R0.6 O=C\C=C/C=C\S Amb27166146 [1,0,0,0,0,0|1,0,2]=4 239 B6R0.6 O=C\C=C/CCO Amb27235316 [1,0,0,0,0,0|1,0,1]=3 240 B6R0.6 O=C\C=C\C=C\Br Amb16233577 [1,0,0,0,0,0|1,0,2]=4 241 B6R0.6 O=C\C=C\C=C\Cl Amb27760447 [1,0,0,0,0,0|1,0,2]=4 242 B6R0.6 O=C\C=C\C=C\O Amb27646525 [1,0,0,0,0,0|1,0,1]=3 243 B6R0.6 O=C\C=C\C=C\S Amb28051864 [1,0,0,0,0,0|1,0,2]=4 244 B6R0.6 O=C\C=C\CCF Amb33429802 [1,0,0,0,0,0|1,0,2]=4 245 B6R0.6 OCCC\C=C\Br Amb27483322 [1,0,0,0,0,0|1,0,2]=4 246 B6R0.6 OCCC\C=C\I Amb27879078 [1,0,0,0,0,0|1,0,2]=4 247 B6R0.6 OCC\C=C/CBr Amb27750410 [1,0,0,0,0,0|1,0,1]=3 248 B6R0.6 OCC\C=C\CCl Amb27227431 [1,0,0,0,0,0|1,0,1]=3 249 B6R0.6 OC\C=C\C=C\Br Amb27750080 [1,0,0,0,0,0|1,0,0]=2 250 B6R0.6 OC\C=C\C=C\Cl Amb27858902 [1,0,0,0,0,0|1,0,0]=2 251 B6R0.6 OC\C=C\CCF Amb33196119 [1,0,0,0,0,0|1,0,1]=3 252 B6R0.6 OC\C=C\CCO Amb26017278 [1,0,0,0,0,0|1,0,1]=3 253 B6R0.6 [C-]#[N+]C\C=C\CC Amb33268263 [1,0,0,0,0,0|1,0,2]=4 254 B6R0.6 [N-]=[N+]=N\C=C/CO Amb27863872 [1,0,0,0,0,0|3,0,0]=4 255 B8R0.1 C#C\C=C\C(=O)OCC Amb10067181 [0,1,0,0,0,0|2,0,1]=4 256 B8R0.1 C=C(\C=C\C)\C=C\CO Amb27665468 [0,1,0,0,0,0|0,0,1]=2 257 B8R0.1 C=C(\C=C\CC)CCN Amb33267514 [0,1,0,0,0,0|1,0,1]=3 258 B8R0.1 C=C\C=C\C(=O)OCC Amb10552844 [0,1,0,0,0,0|2,0,1]=4 259 B8R0.1 CC#C\C(C)=C\CCO Amb28321567 [0,1,0,0,0,0|0,0,3]=4 260 B8R0.1 CC(=C\CO)\C=C\C#N Amb28065353 [0,1,0,0,0,0|1,0,1]=3 261 B8R0.1 CC(\C=C\CBr)=C/C=O Amb27827830 [0,1,0,0,0,0|1,0,2]=4 262 B8R0.1 CCCC(=O)C\C=N/O Amb27838762 [0,1,0,0,0,0|1,0,2]=4 263 B8R0.1 CCCC(=O)C\C=N\O Amb27260514 [0,1,0,0,0,0|1,0,2]=4 264 B8R0.1 CCCC(=O)NCCO Amb5797547 [0,1,0,0,0,0|1,0,2]=4 265 B8R0.1 CCCC(=O)OCCO Amb25937003 [0,1,0,0,0,0|1,0,2]=4 266 B8R0.1 CCCC(=O)SCCO Amb27841882 [0,1,0,0,0,0|1,0,2]=4 267 B8R0.1 CCCC(=O)\C=C\CO Amb27806763 [0,1,0,0,0,0|0,0,1]=2 268 B8R0.1 CCCC(=O)\C=C\SC Amb26062168 [0,1,0,0,0,0|2,0,1]=4 269 B8R0.1 CCCC(C)\C=C\CN Amb28197349 [0,1,0,0,0,0|1,0,2]=4 270 B8R0.1 CCCC(C)\C=C\CO Amb33449086 [0,1,0,0,0,0|0,0,2]=3 271 B8R0.1 CCCC(O)\C=C\CO Amb27406730 [0,1,0,0,0,0|0,0,2]=3 272 B8R0.1 CCCCC(=O)\C=C\O Amb26515841 [0,1,0,0,0,0|0,0,3]=4 273 B8R0.1 CCCCC(=O)\C=N\O Amb27963887 [0,1,0,0,0,0|1,0,2]=4 274 B8R0.1 CCCC\C(C)=C\CO Amb28041191 [0,1,0,0,0,0|0,0,2]=3 275 B8R0.1 CCCC\C(F)=C\CO Amb28315526 [0,1,0,0,0,0|0,0,2]=3 276 B8R0.1 CCCC\C(I)=C\CO Amb28057014 [0,1,0,0,0,0|0,0,2]=3 277 B8R0.1 CCCNC(=O)CCO Amb17334123 [0,1,0,0,0,0|1,0,2]=4 278 B8R0.1 CCCOC(=N)CCO Amb27757381 [0,1,0,0,0,0|1,0,2]=4 279 B8R0.1 CCCOC(=O)CCO Amb22504631 [0,1,0,0,0,0|1,0,2]=4 280 B8R0.1 CCCOC(=O)NCO Amb25082749 [0,1,0,0,0,0|2,0,1]=4 281 B8R0.1 CCC[C@H](C)\C=C\CO Amb28049085 [0,1,0,0,0,0|0,0,2]=3 282 B8R0.1 CCNC(=N)NCCO Amb27793991 [0,1,0,0,0,0|2,0,1]=4 283 B8R0.1 CCNC(=O)CCCO Amb17231872 [0,1,0,0,0,0|1,0,2]=4 284 B8R0.1 CCNC(=O)NCCO Amb9361462 [0,1,0,0,0,0|2,0,1]=4 285 B8R0.1 CCNC(=O)\C=C\CN Amb28369302 [0,1,0,0,0,0|2,0,0]=3 286 B8R0.1 CCOC(=N)CCCO Amb27390716 [0,1,0,0,0,0|1,0,2]=4 287 B8R0.1 CCOC(=O)CCCO Amb22733346 [0,1,0,0,0,0|1,0,2]=4 288 B8R0.1 CCOC(=O)NCCO Amb3939457 [0,1,0,0,0,0|2,0,1]=4 289 B8R0.1 CCOC(=O)OCCO Amb28072969 [0,1,0,0,0,0|2,0,1]=4 290 B8R0.1 CCOC(=O)\C=C/C#N Amb16233561 [0,1,0,0,0,0|2,0,1]=4 291 B8R0.1 CCOC(=O)\C=C\C#N Amb28066687 [0,1,0,0,0,0|2,0,1]=4 292 B8R0.1 CCOC(=O)\C=C\C=O Amb18642570 [0,1,0,0,0,0|1,0,2]=4 293 B8R0.1 CCOC(=O)\C=C\CBr Amb8513164 [0,1,0,0,0,0|2,0,0]=3 294 B8R0.1 CCOC(=O)\C=C\CCl Amb32658016 [0,1,0,0,0,0|2,0,0]=3 295 B8R0.1 CCOC(=O)\C=C\CF Amb24677225 [0,1,0,0,0,0|2,0,0]=3 296 B8R0.1 CCOC(=O)\C=C\CN Amb2699143 [0,1,0,0,0,0|2,0,0]=3 297 B8R0.1 CCOC(=O)\C=C\CN Amb29083404 [0,1,0,0,0,0|2,0,0]=3 298 B8R0.1 CCOC(=O)\C=C\CO Amb27154784 [0,1,0,0,0,0|1,0,0]=2 299 B8R0.1 CCOC(=O)\C=C\NO Amb29853793 [0,1,0,0,0,0|2,0,0]=3 300 B8R0.1 CCOC(=O)\C=C\OC Amb27449858 [0,1,0,0,0,0|3,0,0]=4 301 B8R0.1 CCOC(=O)\C=C\SC Amb28125581 [0,1,0,0,0,0|3,0,0]=4 302 B8R0.1 CCOC(C)\C=C\CN Amb33425048 [0,1,0,0,0,0|2,0,1]=4 303 B8R0.1 CCOC(C)\C=C\CO Amb33225077 [0,1,0,0,0,0|1,0,1]=3 304 B8R0.1 CCOCC(=O)\C=N\O Amb27232490 [0,1,0,0,0,0|2,0,1]=4 305 B8R0.1 CCONC(=O)CCO Amb27826995 [0,1,0,0,0,0|2,0,1]=4 306 B8R0.1 CCSC(=O)\C=C\CCl Amb26911357 [0,1,0,0,0,0|2,0,0]=3 307 B8R0.1 CC\C=C(C)/C=C/C=O Amb27435439 [0,1,0,0,0,0|0,0,2]=3 308 B8R0.1 CC\C=C(C)/C=C/CN Amb27787683 [0,1,0,0,0,0|1,0,0]=2 309 B8R0.1 CC\C=C(C)\C=C\C=O Amb28202059 [0,1,0,0,0,0|0,0,2]=3 310 B8R0.1 CC\C=C(\C)CCCO Amb28192896 [0,1,0,0,0,0|0,0,2]=3 311 B8R0.1 CC\C=C(\C)NCCN Amb27815059 [0,1,0,0,0,0|2,0,1]=4 312 B8R0.1 CC\C=C(\C)SCCO Amb27260247 [0,1,0,0,0,0|1,0,1]=3 313 B8R0.1 CC\C=C/C(=O)CCC Amb27838798 [0,1,0,0,0,0|1,0,1]=3 314 B8R0.1 CC\C=C\C(=O)C=[N+]=[N-] Amb20248606 [0,1,0,0,0,0|2,0,0]=3 315 B8R0.1 CC\C=C\C(=O)CCN Amb33268706 [0,1,0,0,0,0|1,0,1]=3 316 B8R0.1 CC\C=C\C(=O)CNC Amb33268702 [0,1,0,0,0,0|2,0,1]=4 317 B8R0.1 CC\C=C\C(=O)COC Amb27793962 [0,1,0,0,0,0|2,0,1]=4 318 B8R0.1 CC\C=C\C(=O)NOC Amb27396752 [0,1,0,0,0,0|3,0,0]=4 319 B8R0.1 CC\C=C\C(=O)OCC Amb22008263 [0,1,0,0,0,0|2,0,0]=3 320 B8R0.1 CC\C=C\C(=O)\C=C\Cl Amb27454634 [0,1,0,0,0,0|1,0,1]=3 321 B8R0.1 CC\C=C\C(C)CCN Amb33268705 [0,1,0,0,0,0|1,0,2]=4 322 B8R0.1 CC\C=C\C(F)CCN Amb33268246 [0,1,0,0,0,0|1,0,2]=4 323 B8R0.1 CC\C=C\C(N)CCO Amb33225039 [0,1,0,0,0,0|0,0,2]=3 324 B8R0.1 CC\C=C\C(O)CCN Amb33268711 [0,1,0,0,0,0|1,0,2]=4 325 B8R0.1 CC\C=C\[C@@H](O)CCN Amb33268248 [0,1,0,0,0,0|1,0,2]=4 326 B8R0.1 CC\C=C\[C@H](O)CCN Amb33268249 [0,1,0,0,0,0|1,0,2]=4 327 B8R0.1 CONC(=O)\C=C\CN Amb27947076 [0,1,0,0,0,0|3,0,0]=4 328 B8R0.1 CO\C=C\C(=O)\C=C\O Amb28122439 [0,1,0,0,0,0|1,0,1]=3 329 B8R0.1 C\C(=C/C=C/Cl)CCO Amb27233484 [0,1,0,0,0,0|1,0,2]=4 330 B8R0.1 C\C(=C/CCO)CCBr Amb27489112 [0,1,0,0,0,0|1,0,2]=4 331 B8R0.1 C\C(=C/CO)CCCN Amb27469758 [0,1,0,0,0,0|1,0,2]=4 332 B8R0.1 C\C(=C/CO)NCCO Amb27761133 [0,1,0,0,0,0|2,0,1]=4 333 B8R0.1 C\C=C\C(=O)\C=C\OC Amb27838661 [0,1,0,0,0,0|2,0,1]=4 334 B8R0.1 C\C=C\C(C)\C=C\CN Amb27215384 [0,1,0,0,0,0|1,0,2]=4 335 B8R0.1 C\C=C\C\C(C)=C/CCl Amb27173994 [0,1,0,0,0,0|1,0,2]=4 336 B8R0.1 O=C\C=C/C(=O)CCO Amb27643576 [0,1,0,0,0,0|1,0,2]=4 337 B8R0.1 OC\C=C\C(O)CCBr Amb28434657 [0,1,0,0,0,0|1,0,2]=4 338 B8R0.4 C#CCCO\C=C\CO Amb28315455 [0,1,0,0,0,0|1,0,2]=4 339 B8R0.4 C#CCC\C=C\CCC Amb33373746 [0,1,0,0,0,0|1,0,2]=4 340 B8R0.4 C#C\C=C\C=C\CCO Amb28315560 [0,1,0,0,0,0|0,0,2]=3 341 B8R0.4 C=CCCC\C=C\CO Amb19930201 [0,1,0,0,0,0|0,0,3]=4 342 B8R0.4 C=CCNC\C=C\CC Amb27432892 [0,1,0,0,0,0|2,0,1]=4 343 B8R0.4 C=CCSC\C=C\CO Amb27761655 [0,1,0,0,0,0|1,0,2]=4 344 B8R0.4 C=C\C=C\C=C\CCC Amb22641675 [0,1,0,0,0,0|1,0,1]=3 345 B8R0.4 C=C\C=C\C\C=C\CBr Amb27233393 [0,1,0,0,0,0|1,0,2]=4 346 B8R0.4 CC#C\C=C\C=C\CO Amb28049108 [0,1,0,0,0,0|0,0,1]=2 347 B8R0.4 CCC#CC\C=C/CO Amb17593279 [0,1,0,0,0,0|0,0,2]=3 348 B8R0.4 CCC#C\C=C\CCO Amb27472464 [0,1,0,0,0,0|0,0,2]=3 349 B8R0.4 CCC=C=CC#CCO Amb27956645 [0,1,0,0,0,0|0,0,2]=3 350 B8R0.4 CCCC=C=CCCO Amb17593316 [0,1,0,0,0,0|0,0,2]=3 351 B8R0.4 CCCCC\C=C\CBr Amb17666913 [0,1,0,0,0,0|1,0,2]=4 352 B8R0.4 CCCCC\C=C\CO Amb33038088 [0,1,0,0,0,0|0,0,2]=3 353 B8R0.4 CCCCS\C=C\CO Amb27219509 [0,1,0,0,0,0|0,0,2]=3 354 B8R0.4 CCCC\C=C/CCO Amb26586236 [0,1,0,0,0,0|0,0,2]=3 355 B8R0.4 CCCC\C=C\CCN Amb27788288 [0,1,0,0,0,0|1,0,2]=4 356 B8R0.4 CCCC\C=C\CCO Amb9134733 [0,1,0,0,0,0|0,0,2]=3 357 B8R0.4 CCCC\C=C\OCC Amb17674075 [0,1,0,0,0,0|1,0,2]=4 358 B8R0.4 CCCOC\C=C\CCl Amb27628817 [0,1,0,0,0,0|1,0,2]=4 359 B8R0.4 CCC\C=C/C=C/C=O Amb27643510 [0,1,0,0,0,0|0,0,2]=3 360 B8R0.4 CCC\C=C/CCCC Amb26023943 [0,1,0,0,0,0|1,0,2]=4 361 B8R0.4 CCC\C=C\C#CCO Amb27661089 [0,1,0,0,0,0|0,0,2]=3 362 B8R0.4 CCC\C=C\C=C/CN Amb27768643 [0,1,0,0,0,0|1,0,0]=2 363 B8R0.4 CCC\C=C\C=C\C=O Amb8392848 [0,1,0,0,0,0|0,0,2]=3 364 B8R0.4 CCC\C=C\C=C\CBr Amb28285136 [0,1,0,0,0,0|1,0,0]=2 365 B8R0.4 CCC\C=C\C=C\CCl Amb27630001 [0,1,0,0,0,0|1,0,0]=2 366 B8R0.4 CCC\C=C\C=C\CN Amb27252152 [0,1,0,0,0,0|1,0,0]=2 367 B8R0.4 CCC\C=C\C=C\CO Amb22053869 [0,1,0,0,0,0|0,0,0]=1 368 B8R0.4 CCC\C=C\CCC#N Amb33226017 [0,1,0,0,0,0|1,0,2]=4 369 B8R0.4 CCC\C=C\CCC=O Amb33172232 [0,1,0,0,0,0|0,0,3]=4 370 B8R0.4 CCC\C=C\CCCBr Amb26574256 [0,1,0,0,0,0|1,0,2]=4 371 B8R0.4 CCC\C=C\CCCC Amb2778543 [0,1,0,0,0,0|1,0,2]=4 372 B8R0.4 CCC\C=C\CCCN Amb33327176 [0,1,0,0,0,0|1,0,2]=4 373 B8R0.4 CCC\C=C\CCCS Amb33373717 [0,1,0,0,0,0|0,1,2]=4 374 B8R0.4 CCC\C=C\CCNC Amb33429318 [0,1,0,0,0,0|1,0,2]=4 375 B8R0.4 CCC\C=C\CCON Amb33424856 [0,1,0,0,0,0|0,0,2]=3 376 B8R0.4 CCC\C=C\CCSC Amb27810331 [0,1,0,0,0,0|0,1,2]=4 377 B8R0.4 CCN\C=C\CNCC Amb27627377 [0,1,0,0,0,0|2,0,1]=4 378 B8R0.4 CCN\N=C\CCCO Amb27662112 [0,1,0,0,0,0|1,0,2]=4 379 B8R0.4 CCOCC=C=CCCl Amb27811427 [0,1,0,0,0,0|1,0,2]=4 380 B8R0.4 CCOCC\C=C\CCl Amb27470132 [0,1,0,0,0,0|1,0,2]=4 381 B8R0.4 CCOC\C=C\CCO Amb27972232 [0,1,0,0,0,0|0,0,2]=3 382 B8R0.4 CC\C=C/CCCCC Amb25258581 [0,1,0,0,0,0|1,0,2]=4 383 B8R0.4 CC\C=C/CCCCN Amb28313712 [0,1,0,0,0,0|1,0,2]=4 384 B8R0.4 CC\C=C/CCCCO Amb22052636 [0,1,0,0,0,0|0,0,2]=3 385 B8R0.4 CC\C=C/C\C=C\C=O Amb28251042 [0,1,0,0,0,0|0,0,2]=3 386 B8R0.4 CC\C=C\C=C\CNC Amb27434865 [0,1,0,0,0,0|1,0,0]=2 387 B8R0.4 CC\C=C\CC#CCO Amb27398594 [0,1,0,0,0,0|0,0,2]=3 388 B8R0.4 CC\C=C\CCCC=O Amb33171685 [0,1,0,0,0,0|0,0,3]=4 389 B8R0.4 CC\C=C\CCCCC Amb22347893 [0,1,0,0,0,0|1,0,2]=4 390 B8R0.4 CC\C=C\CCCCN Amb33079175 [0,1,0,0,0,0|1,0,2]=4 391 B8R0.4 CC\C=C\CCNCC Amb27647277 [0,1,0,0,0,0|1,0,2]=4 392 B8R0.4 CC\C=C\CCSCC Amb27260956 [0,1,0,0,0,0|1,0,2]=4 393 B8R0.4 CC\C=C\CC\C=C\I Amb28071366 [0,1,0,0,0,0|1,0,2]=4 394 B8R0.4 CC\C=C\C\C=C\CCl Amb27628399 [0,1,0,0,0,0|1,0,0]=2 395 B8R0.4 CC\N=C\C=C\NCC Amb27391067 [0,1,0,0,0,0|2,0,0]=3 396 B8R0.4 COCC#C\C=C\CO Amb28049274 [0,1,0,0,0,0|0,0,2]=3 397 B8R0.4 COCOC\C=C/CCl Amb27809688 [0,1,0,0,0,0|2,0,1]=4 398 B8R0.4 COCOC\C=C\CCl Amb27435121 [0,1,0,0,0,0|2,0,1]=4 399 B8R0.4 CO\C=C\C=C\C=C\Br Amb27634863 [0,1,0,0,0,0|1,0,2]=4 400 B8R0.4 CO\C=C\C=C\C=C\Cl Amb27243657 [0,1,0,0,0,0|1,0,2]=4 401 B8R0.4 CO\C=C\C=C\CCO Amb27660890 [0,1,0,0,0,0|1,0,0]=2 402 B8R0.4 CO\C=C\CCCCO Amb27448464 [0,1,0,0,0,0|1,0,2]=4 403 B8R0.4 CO\N=C\C=C/C=C/N Amb28067626 [0,1,0,0,0,0|2,0,1]=4 404 B8R0.4 CSCOC\C=C\CO Amb27452450 [0,1,0,0,0,0|1,0,1]=3 405 B8R0.4 C\C=C/C=C/CCCBr Amb27878672 [0,1,0,0,0,0|1,0,2]=4 406 B8R0.4 C\C=C\C=C=CCCO Amb27812339 [0,1,0,0,0,0|0,0,2]=3 407 B8R0.4 C\C=C\C=C\C=C\C=O Amb17593248 [0,1,0,0,0,0|0,0,3]=4 408 B8R0.4 C\C=C\C=C\C=C\CBr Amb27424622 [0,1,0,0,0,0|1,0,1]=3 409 B8R0.4 C\C=C\C=C\CCCC Amb24477896 [0,1,0,0,0,0|1,0,2]=4 410 B8R0.4 C\C=C\C=C\CCCO Amb17593323 [0,1,0,0,0,0|0,0,2]=3 411 B8R0.4 C\C=C\C\C=C\CC=O Amb27489085 [0,1,0,0,0,0|0,0,3]=4 412 B8R0.4 C\C=C\C\C=C\CCO Amb27978414 [0,1,0,0,0,0|0,0,2]=3 413 B8R0.4 C\C=C\OC\C=C\CO Amb27790228 [0,1,0,0,0,0|0,0,2]=3 414 B8R0.4 FCCNC\C=C\CCl Amb27663609 [0,1,0,0,0,0|2,0,1]=4 415 B8R0.4 NCCCC\C=C\CO Amb24117507 [0,1,0,0,0,0|0,0,2]=3 416 B8R0.4 NCCCC\C=C\CO Amb27780423 [0,1,0,0,0,0|0,0,2]=3 417 B8R0.4 NCC\C=C/CCCN Amb28056104 [0,1,0,0,0,0|1,0,2]=4 418 B8R0.4 NC\C=C\CSCCO Amb27185672 [0,1,0,0,0,0|1,0,2]=4 419 B8R0.4 O=CCCC\C=C\CO Amb27169480 [0,1,0,0,0,0|0,0,3]=4 420 B8R0.4 O=C\C=C\C=C/CC=O Amb28285297 [0,1,0,0,0,0|0,0,3]=4 421 B8R0.4 O=C\C=C\C=C\CC=O Amb27841285 [0,1,0,0,0,0|0,0,3]=4 422 B8R0.4 OCCC\C=C\CCI Amb22364705 [0,1,0,0,0,0|0,0,2]=3 423 B8R0.4 OC\C=C\C=C\C#CBr Amb27762963 [0,1,0,0,0,0|0,0,2]=3 424 B8R0.4 OC\C=C\C=C\C=C\Cl Amb27878783 [0,1,0,0,0,0|0,0,2]=3 425 B8R0.4 OC\C=C\CCCCO Amb27642149 [0,1,0,0,0,0|0,0,2]=3 426 B8R0.4 OC\C=C\C\C=C\CO Amb27835108 [0,1,0,0,0,0|1,0,0]=2 427 B8R0.4 OC\C=C\O\C=C\CO Amb27662354 [0,1,0,0,0,0|1,0,0]=2 428 B8R0.4 [C-]#[N+]CC\C=C\CCC Amb33424871 [0,1,0,0,0,0|1,0,2]=4 429 B8R0.6 C=C(CC)CCCCO Amb25057130 [0,1,0,0,0,0|0,0,3]=4 430 B8R0.6 C=C(\C=C\CCC)CBr Amb33335674 [0,1,0,0,0,0|1,0,1]=3 431 B8R0.6 C=C(\C=C\CCC)CN Amb33424828 [0,1,0,0,0,0|1,0,1]=3 432 B8R0.6 C=CC(=O)C\C=C/CC Amb27838780 [0,1,0,0,0,0|1,0,2]=4 433 B8R0.6 C=CC(=O)C\C=C\CC Amb24574125 [0,1,0,0,0,0|1,0,2]=4 434 B8R0.6 C=CC(=O)\C=C\CCC Amb33448444 [0,1,0,0,0,0|1,0,2]=4 435 B8R0.6 CCC#C\C=C(\Br)CO Amb27457971 [0,1,0,0,0,0|0,0,2]=3 436 B8R0.6 CCC(=O)CCCCO Amb27867195 [0,1,0,0,0,0|0,0,3]=4 437 B8R0.6 CCC(=O)CSCCO Amb4165967 [0,1,0,0,0,0|1,0,2]=4 438 B8R0.6 CCC(=O)NCCCO Amb5797471 [0,1,0,0,0,0|1,0,2]=4 439 B8R0.6 CCC(=O)NOCCO Amb27946298 [0,1,0,0,0,0|2,0,1]=4 440 B8R0.6 CCC(=O)OCCCO Amb28138647 [0,1,0,0,0,0|1,0,2]=4 441 B8R0.6 CCC(=O)O\C=C\CCl Amb27453574 [0,1,0,0,0,0|2,0,0]=3 442 B8R0.6 CCC(C)=C=CCCO Amb27978471 [0,1,0,0,0,0|0,0,2]=3 443 B8R0.6 CCC(C)C\C=C\CBr Amb27607864 [0,1,0,0,0,0|1,0,2]=4 444 B8R0.6 CCC(C)S\C=C\CO Amb28074680 [0,1,0,0,0,0|1,0,1]=3 445 B8R0.6 CCC=C=CC(=O)CC Amb27838620 [0,1,0,0,0,0|1,0,1]=3 446 B8R0.6 CCCCCC(=O)CO Amb27956467 [0,1,0,0,0,0|0,0,3]=4 447 B8R0.6 CCCCNC(=O)CO Amb5798171 [0,1,0,0,0,0|1,0,2]=4 448 B8R0.6 CCCCOC(=O)CO Amb9277787 [0,1,0,0,0,0|1,0,2]=4 449 B8R0.6 CCCC\C=C(/C)CBr Amb27865492 [0,1,0,0,0,0|1,0,2]=4 450 B8R0.6 CCCC\C=C(\C)CBr Amb27444640 [0,1,0,0,0,0|1,0,2]=4 451 B8R0.6 CCCC\C=C(\C)CCl Amb25317209 [0,1,0,0,0,0|1,0,2]=4 452 B8R0.6 CCCC\C=C(\C)CI Amb27879768 [0,1,0,0,0,0|1,0,2]=4 453 B8R0.6 CCCC\C=C(\C)CN Amb28288856 [0,1,0,0,0,0|1,0,2]=4 454 B8R0.6 CCCC\C=C(\Cl)CO Amb28315452 [0,1,0,0,0,0|0,0,2]=3 455 B8R0.6 CCCC\C=C(\F)CO Amb27835021 [0,1,0,0,0,0|0,0,2]=3 456 B8R0.6 CCC\C=C/C(=O)OC Amb27423496 [0,1,0,0,0,0|2,0,1]=4 457 B8R0.6 CCC\C=C\C(=O)CBr Amb27477837 [0,1,0,0,0,0|1,0,1]=3 458 B8R0.6 CCC\C=C\C(=O)CC Amb26400662 [0,1,0,0,0,0|1,0,1]=3 459 B8R0.6 CCC\C=C\C(=O)CCl Amb33220754 [0,1,0,0,0,0|1,0,1]=3 460 B8R0.6 CCC\C=C\C(=O)CN Amb33327186 [0,1,0,0,0,0|1,0,1]=3 461 B8R0.6 CCC\C=C\C(=O)NN Amb25852581 [0,1,0,0,0,0|2,0,1]=4 462 B8R0.6 CCC\C=C\C(=O)OC Amb6366801 [0,1,0,0,0,0|2,0,1]=4 463 B8R0.6 CCC\C=C\C(C)CBr Amb33335692 [0,1,0,0,0,0|1,0,2]=4 464 B8R0.6 CCC\C=C\C(C)CN Amb33327177 [0,1,0,0,0,0|1,0,2]=4 465 B8R0.6 CCC\C=C\C(F)CN Amb33424867 [0,1,0,0,0,0|1,0,2]=4 466 B8R0.6 CCC\C=C\C(N)CO Amb33475098 [0,1,0,0,0,0|0,0,2]=3 467 B8R0.6 CCC\C=C\C(O)CBr Amb33335721 [0,1,0,0,0,0|1,0,2]=4 468 B8R0.6 CCC\C=C\C(O)CC Amb27247981 [0,1,0,0,0,0|1,0,2]=4 469 B8R0.6 CCC\C=C\C(O)CF Amb33424833 [0,1,0,0,0,0|1,0,2]=4 470 B8R0.6 CCC\C=C\C(O)CN Amb24565967 [0,1,0,0,0,0|1,0,2]=4 471 B8R0.6 CCC\C=C\C(O)CO Amb28458069 [0,1,0,0,0,0|0,0,2]=3 472 B8R0.6 CCC\C=C\[C@@H](N)CO Amb33429684 [0,1,0,0,0,0|0,0,2]=3 473 B8R0.6 CCC\C=C\[C@@H](O)CN Amb33424865 [0,1,0,0,0,0|1,0,2]=4 474 B8R0.6 CCC\C=C\[C@H](N)CO Amb33424863 [0,1,0,0,0,0|0,0,2]=3 475 B8R0.6 CCC\C=C\[C@H](O)CN Amb33424864 [0,1,0,0,0,0|1,0,2]=4 476 B8R0.6 CCN\C=C\C(=O)OC Amb2386650 [0,1,0,0,0,0|3,0,0]=4 477 B8R0.6 CCOC\C=C(/Cl)CBr Amb28073624 [0,1,0,0,0,0|2,0,1]=4 478 B8R0.6 CCOC\C=C(\C)CCl Amb27968870 [0,1,0,0,0,0|2,0,1]=4 479 B8R0.6 CCOC\C=C(\Cl)CCl Amb27638368 [0,1,0,0,0,0|2,0,1]=4 480 B8R0.6 CCO\C=C\C(=O)CC Amb22055193 [0,1,0,0,0,0|2,0,0]=3 481 B8R0.6 CCO\C=C\C(=O)NC Amb27179836 [0,1,0,0,0,0|3,0,0]=4 482 B8R0.6 CCO\C=C\C(=O)OC Amb33356217 [0,1,0,0,0,0|3,0,0]=4 483 B8R0.6 CCO\C=C\C(C)=C\Cl Amb27229529 [0,1,0,0,0,0|2,0,1]=4 484 B8R0.6 CCO\C=N\C(=O)CCl Amb27422899 [0,1,0,0,0,0|3,0,0]=4 485 B8R0.6 CCO\N=C\C(=O)CC Amb28055522 [0,1,0,0,0,0|3,0,0]=4 486 B8R0.6 CCS\C=C\C(=O)CC Amb24424828 [0,1,0,0,0,0|2,0,0]=3 487 B8R0.6 CCS\C=C\C(=O)OC Amb24387094 [0,1,0,0,0,0|3,0,0]=4 488 B8R0.6 CC\C(C)=C\C=C\CO Amb28049121 [0,1,0,0,0,0|0,0,0]=1 489 B8R0.6 CC\C(C)=C\CCCCl Amb27626884 [0,1,0,0,0,0|1,0,2]=4 490 B8R0.6 CC\C(C)=N\CCCO Amb28190308 [0,1,0,0,0,0|1,0,2]=4 491 B8R0.6 CC\C(C)=N\NCCO Amb25889624 [0,1,0,0,0,0|2,0,1]=4 492 B8R0.6 CC\C(C)=N\OCCO Amb28315448 [0,1,0,0,0,0|2,0,1]=4 493 B8R0.6 CC\C=C\C=C(/C)C=O Amb27438517 [0,1,0,0,0,0|0,0,2]=3 494 B8R0.6 CC\C=C\CC(=O)OC Amb8517644 [0,1,0,0,0,0|2,0,1]=4 495 B8R0.6 CC\C=C\CC(C)CO Amb27956568 [0,1,0,0,0,0|0,0,2]=3 496 B8R0.6 CC\C=C\CC(N)CO Amb26437812 [0,1,0,0,0,0|0,0,2]=3 497 B8R0.6 CC\C=C\CC(O)CCl Amb27775573 [0,1,0,0,0,0|1,0,2]=4 498 B8R0.6 CC\C=C\CC(O)CN Amb33079626 [0,1,0,0,0,0|1,0,2]=4 499 B8R0.6 CC\C=C\CC(O)CO Amb27775912 [0,1,0,0,0,0|0,0,2]=3 500 B8R0.6 CC\C=C\C[C@H](C)CO Amb27765926 [0,1,0,0,0,0|0,0,2]=3 501 B8R0.6 CC\C=C\C[C@H](O)CC Amb27164460 [0,1,0,0,0,0|1,0,2]=4 502 B8R0.6 CC\C=C\C[C@H](O)CO Amb27432264 [0,1,0,0,0,0|0,0,2]=3 503 B8R0.6 CN\C(C)=C/C=C\C#N Amb18642062 [0,1,0,0,0,0|2,0,1]=4 504 B8R0.6 COC(=O)C\C=C\CBr Amb27444630 [0,1,0,0,0,0|2,0,1]=4 505 B8R0.6 COC(=O)C\C=C\CCl Amb25084500 [0,1,0,0,0,0|2,0,1]=4 506 B8R0.6 COC(=O)O\C=C\CBr Amb27424698 [0,1,0,0,0,0|3,0,0]=4 507 B8R0.6 COC(=O)\C=C\C=C\Br Amb28283385 [0,1,0,0,0,0|2,0,1]=4 508 B8R0.6 COC(=O)\C=C\CCBr Amb22756459 [0,1,0,0,0,0|2,0,1]=4 509 B8R0.6 COC(=O)\C=C\CCN Amb27617644 [0,1,0,0,0,0|2,0,1]=4 510 B8R0.6 COC(=O)\C=C\CCO Amb26347391 [0,1,0,0,0,0|1,0,1]=3 511 B8R0.6 CSC(=O)S\C=C\CCl Amb27472008 [0,1,0,0,0,0|3,0,0]=4 512 B8R0.6 CS[C@H](C)\C=C\CCO Amb27605380 [0,1,0,0,0,0|1,0,2]=4 513 B8R0.6 C\C(=C/CCCBr)CO Amb28348616 [0,1,0,0,0,0|1,0,2]=4 514 B8R0.6 C\C(=C/CCCN)CO Amb28077171 [0,1,0,0,0,0|1,0,2]=4 515 B8R0.6 C\C(=C\C=C\C=O)CO Amb27852086 [0,1,0,0,0,0|1,0,1]=3 516 B8R0.6 C\C(=C\C=C\CO)CO Amb27780271 [0,1,0,0,0,0|1,0,0]=2 517 B8R0.6 C\C(C#N)=C\C=C\CCl Amb28142356 [0,1,0,0,0,0|2,0,1]=4 518 B8R0.6 C\C(C=O)=C/C=C/CCl Amb27968888 [0,1,0,0,0,0|1,0,2]=4 519 B8R0.6 C\C=C(\C)C\C=C\CO Amb27594607 [0,1,0,0,0,0|0,0,2]=3 520 B8R0.6 C\C=C\C=C\C(=O)NO Amb27449096 [0,1,0,0,0,0|1,0,1]=3 521 B8R0.6 C\C=C\C=C\C(=O)OC Amb22230900 [0,1,0,0,0,0|2,0,1]=4 522 B8R0.6 C\C=C\C=C\C(C)CO Amb27660980 [0,1,0,0,0,0|0,0,2]=3 523 B8R0.6 C\C=C\C=C\C(O)CN Amb27804094 [0,1,0,0,0,0|1,0,2]=4 524 B8R0.6 C\C=C\C=C\[C@@H](O)CC Amb27956631 [0,1,0,0,0,0|1,0,2]=4 525 B8R0.6 O=C(CCl)O\C=C\CCl Amb28145739 [0,1,0,0,0,0|3,0,0]=4 526 B8R0.6 OC\C(F)=C\CCCCl Amb27623942 [0,1,0,0,0,0|1,0,2]=4 527 B8R0.7 C#C\C=C\C=C\C(C)=O Amb27789857 [0,1,0,0,0,0|1,0,2]=4 528 B8R0.7 C=C\C=C\C=C\C(=O)O Amb28346293 [0,1,0,0,0,0|0,0,3]=4 529 B8R0.7 CC(=O)CC\C=C/CO Amb27828969 [0,1,0,0,0,0|0,0,3]=4 530 B8R0.7 CC(=O)\C=C\C=C\CCl Amb27254525 [0,1,0,0,0,0|1,0,1]=3 531 B8R0.7 CC(C)=C=C\C=C\CO Amb27418361 [0,1,0,0,0,0|0,0,2]=3 532 B8R0.7 CC(C)=C\C=C\CCBr Amb27878458 [0,1,0,0,0,0|1,0,2]=4 533 B8R0.7 CC(C)CC\C=C\CCl Amb28133989 [0,1,0,0,0,0|1,0,2]=4 534 B8R0.7 CC(C)CS\C=C\CO Amb28051939 [0,1,0,0,0,0|1,0,1]=3 535 B8R0.7 CC(C)C\C=C\CCCl Amb27255207 [0,1,0,0,0,0|1,0,2]=4 536 B8R0.7 CC(C)C\C=C\CCO Amb24340184 [0,1,0,0,0,0|0,0,2]=3 537 B8R0.7 CC(C)NC\C=C\CCl Amb28146785 [0,1,0,0,0,0|2,0,1]=4 538 B8R0.7 CC(C)OC\C=C\CN Amb33474232 [0,1,0,0,0,0|2,0,1]=4 539 B8R0.7 CC(C)OC\C=C\CO Amb33079442 [0,1,0,0,0,0|1,0,1]=3 540 B8R0.7 CC(C)O\C=C\CCO Amb28315471 [0,1,0,0,0,0|1,0,1]=3 541 B8R0.7 CC(C)SC\C=C\CCl Amb28321203 [0,1,0,0,0,0|2,0,1]=4 542 B8R0.7 CC(C)SC\C=C\CN Amb28061485 [0,1,0,0,0,0|2,0,1]=4 543 B8R0.7 CC(C)SC\C=C\CS Amb27833172 [0,1,0,0,0,0|1,1,1]=4 544 B8R0.7 CC(C)\C=C\C#CCO Amb27456506 [0,1,0,0,0,0|0,0,2]=3 545 B8R0.7 CC(C)\C=C\C=C\C=O Amb18642247 [0,1,0,0,0,0|0,0,2]=3 546 B8R0.7 CC(C)\C=C\C=C\CBr Amb28291568 [0,1,0,0,0,0|1,0,0]=2 547 B8R0.7 CC(C)\C=C\CCCBr Amb27878117 [0,1,0,0,0,0|1,0,2]=4 548 B8R0.7 CC(C)\C=C\CCCCl Amb28193361 [0,1,0,0,0,0|1,0,2]=4 549 B8R0.7 CC(C)\C=C\CCCO Amb28045718 [0,1,0,0,0,0|0,0,2]=3 550 B8R0.7 CC(C)\C=N\NCCO Amb24644241 [0,1,0,0,0,0|2,0,1]=4 551 B8R0.7 CC(C)\C=N\OCCO Amb27632055 [0,1,0,0,0,0|2,0,1]=4 552 B8R0.7 CC(Cl)C\C=C\CCO Amb26421608 [0,1,0,0,0,0|0,0,2]=3 553 B8R0.7 CCCC\C=C\B(O)O Amb10068585 [0,1,0,0,0,0|1,0,2]=4 554 B8R0.7 CCCC\C=C\C(=O)O Amb17778752 [0,1,0,0,0,0|0,0,3]=4 555 B8R0.7 CCCC\C=C\[C@H](C)O Amb27950980 [0,1,0,0,0,0|0,0,2]=3 556 B8R0.7 CCCS\C=C/C(=O)O Amb18644291 [0,1,0,0,0,0|1,0,2]=4 557 B8R0.7 CCC\C=C\CC(=O)O Amb18642602 [0,1,0,0,0,0|0,0,3]=4 558 B8R0.7 CCC\C=C\CC(C)Br Amb26397126 [0,1,0,0,0,0|1,0,2]=4 559 B8R0.7 CCC\C=C\CC(C)Cl Amb26636688 [0,1,0,0,0,0|1,0,2]=4 560 B8R0.7 CCC\C=C\CC(C)O Amb27766099 [0,1,0,0,0,0|0,0,2]=3 561 B8R0.7 CCC\C=C\CN(C)O Amb33224461 [0,1,0,0,0,0|1,0,2]=4 562 B8R0.7 CCC\C=C\C[C@@H](C)N Amb33424842 [0,1,0,0,0,0|1,0,2]=4 563 B8R0.7 CCC\C=C\C[C@@H](C)O Amb33424840 [0,1,0,0,0,0|0,0,2]=3 564 B8R0.7 CCC\C=C\C[C@H](C)N Amb33424841 [0,1,0,0,0,0|1,0,2]=4 565 B8R0.7 CCC\C=C\C[C@H](C)O Amb33358968 [0,1,0,0,0,0|0,0,2]=3 566 B8R0.7 CCOC\C=C/C(=O)O Amb27807906 [0,1,0,0,0,0|1,0,2]=4 567 B8R0.7 CCOC\C=C\C(=O)O Amb19020649 [0,1,0,0,0,0|1,0,2]=4 568 B8R0.7 CCSC\C=C\C(=O)O Amb33449652 [0,1,0,0,0,0|1,0,2]=4 569 B8R0.7 CCSC\C=C\C(C)N Amb33323650 [0,1,0,0,0,0|2,0,1]=4 570 B8R0.7 CC\C=C/C=C/C(C)=O Amb27164670 [0,1,0,0,0,0|0,0,2]=3 571 B8R0.7 CC\C=C/CCC(=O)O Amb25831265 [0,1,0,0,0,0|0,0,3]=4 572 B8R0.7 CC\C=C\C=C\C(=O)O Amb33359031 [0,1,0,0,0,0|0,0,1]=2 573 B8R0.7 CC\C=C\C=C\C(C)=O Amb24667251 [0,1,0,0,0,0|0,0,2]=3 574 B8R0.7 CC\C=C\C=C\C(C)N Amb33267512 [0,1,0,0,0,0|1,0,0]=2 575 B8R0.7 CC\C=C\C=C\C(C)O Amb28049199 [0,1,0,0,0,0|0,0,0]=1 576 B8R0.7 CC\C=C\C=C\C(N)=O Amb27445409 [0,1,0,0,0,0|0,0,2]=3 577 B8R0.7 CC\C=C\C=C\[C@@H](C)O Amb27424950 [0,1,0,0,0,0|0,0,0]=1 578 B8R0.7 CC\C=C\C=C\[N+](=O)[O-] Amb33267976 [0,1,0,0,0,0|1,0,1]=3 579 B8R0.7 CC\C=C\CCC(=O)O Amb18642608 [0,1,0,0,0,0|0,0,3]=4 580 B8R0.7 CC\C=C\CCC(C)C Amb25811237 [0,1,0,0,0,0|1,0,2]=4 581 B8R0.7 CC\C=C\CCC(C)N Amb27875423 [0,1,0,0,0,0|1,0,2]=4 582 B8R0.7 CC\C=C\CCC(C)O Amb33079835 [0,1,0,0,0,0|0,0,2]=3 583 B8R0.7 CC\C=C\CC[C@@H](C)N Amb33267990 [0,1,0,0,0,0|1,0,2]=4 584 B8R0.7 CC\C=C\CC[C@@H](C)O Amb33267991 [0,1,0,0,0,0|0,0,2]=3 585 B8R0.7 CC\C=C\CC[C@H](C)N Amb33267989 [0,1,0,0,0,0|1,0,2]=4 586 B8R0.7 CC\C=C\CC[C@H](C)O Amb33267992 [0,1,0,0,0,0|0,0,2]=3 587 B8R0.7 CC\C=C\NCC(C)C Amb27655952 [0,1,0,0,0,0|2,0,1]=4 588 B8R0.7 CN(C)CC\C=C\CO Amb33272512 [0,1,0,0,0,0|1,0,2]=4 589 B8R0.7 CN(C)\C=C\C=C\C#N Amb27645258 [0,1,0,0,0,0|2,0,1]=4 590 B8R0.7 CO\C=C\C=C\C(=O)O Amb27784611 [0,1,0,0,0,0|1,0,1]=3 591 B8R0.7 CO\C=C\C=C\C(C)=O Amb27875381 [0,1,0,0,0,0|1,0,2]=4 592 B8R0.7 CO\N=C\C=C\B(O)O Amb27185899 [0,1,0,0,0,0|3,0,0]=4 593 B8R0.7 C\C=C\C=C/C=C(C)C Amb22641676 [0,1,0,0,0,0|1,0,2]=4 594 B8R0.7 C\C=C\C=C\CC(=O)O Amb27755824 [0,1,0,0,0,0|0,0,3]=4 595 B8R0.7 C\C=C\C\C=C\C(=O)O Amb27440048 [0,1,0,0,0,0|0,0,3]=4 596 B8R0.7 NC(=O)\C=C\C=C\CO Amb27469398 [0,1,0,0,0,0|1,0,1]=3 597 B8R0.7 NC\C=C\C=C\C(=O)O Amb25146005 [0,1,0,0,0,0|1,0,1]=3 598 B8R0.7 O=C(O)\C=C\C=C\CO Amb27779174 [0,1,0,0,0,0|1,0,1]=3 599 B8R0.7 O=C\C=C\C=C\C(=O)O Amb27420164 [0,1,0,0,0,0|1,0,2]=4 600 B8R0.7 OC\C=C\C=C\B(O)O Amb27191502 [0,1,0,0,0,0|2,0,0]=3 601 B8R1.2 BrCC1=CC=CC#C1 Amb27477926 [0,0,0,1,0,0|1,0,2]=4 602 B8R1.2 BrCC1=CCCCC1 Amb23439167 [0,0,0,1,0,0|1,0,2]=4 603 B8R1.2 BrCC1=CCOCC1 Amb24483111 [0,0,0,1,0,0|2,0,1]=4 604 B8R1.2 BrCC1=COCCC1 Amb33335785 [0,0,0,1,0,0|2,0,1]=4 605 B8R1.2 BrCC1=COCCO1 Amb29866238 [0,0,0,1,0,0|2,0,1]=4 606 B8R1.2 BrCC1C=CCCC1 Amb25869978 [0,0,0,1,0,0|1,0,2]=4 607 B8R1.2 BrCC1CC=CCC1 Amb26515715 [0,0,0,1,0,0|1,0,2]=4 608 B8R1.2 BrCC1CC=CCO1 Amb27985852 [0,0,0,1,0,0|1,0,2]=4 609 B8R1.2 BrCc1ccccc1 Amb3939707 [0,0,0,1,0,0|1,0,2]=4 610 B8R1.2 BrCc1ccccn1 Amb3939990 [0,0,0,1,0,0|2,0,1]=4 611 B8R1.2 BrCc1ccccn1 Amb8393294 [0,0,0,1,0,0|2,0,1]=4 612 B8R1.2 BrCc1cccnc1 Amb3939989 [0,0,0,1,0,0|2,0,1]=4 613 B8R1.2 BrCc1cccnc1 Amb9826052 [0,0,0,1,0,0|2,0,1]=4 614 B8R1.2 BrCc1cccnn1 Amb10070423 [0,0,0,1,0,0|3,0,0]=4 615 B8R1.2 BrCc1cccnn1 Amb22234747 [0,0,0,1,0,0|3,0,0]=4 616 B8R1.2 CCC1=CC=CNC1 Amb27643536 [0,0,0,1,0,0|2,0,0]=3 617 B8R1.2 CCC1=CCCCC1 Amb25337001 [0,0,0,1,0,0|1,0,2]=4 618 B8R1.2 CCC1=CNCCC1 Amb27404529 [0,0,0,1,0,0|2,0,1]=4 619 B8R1.2 CCC1=CSCCN1 Amb27838422 [0,0,0,1,0,0|2,0,1]=4 620 B8R1.2 CCC1C=CCCC1 Amb27883191 [0,0,0,1,0,0|1,0,2]=4 621 B8R1.2 CC[n+]1ccccc1 Amb8516219 [0,0,0,1,0,0|2,0,1]=4 622 B8R1.2 CC[n+]1ccccc1 Amb8516636 [0,0,0,1,0,0|2,0,1]=4 623 B8R1.2 CCc1ccccc1 Amb2447474 [0,0,0,1,0,0|1,0,1]=3 624 B8R1.2 CCc1ccccn1 Amb6608978 [0,0,0,1,0,0|1,0,1]=3 625 B8R1.2 CCc1cccnc1 Amb4037096 [0,0,0,1,0,0|2,0,0]=3 626 B8R1.2 CCc1cccnn1 Amb28290156 [0,0,0,1,0,0|2,0,0]=3 627 B8R1.2 CCc1ccncc1 Amb8513449 [0,0,0,1,0,0|2,0,1]=4 628 B8R1.2 CCc1ccncn1 Amb20242304 [0,0,0,1,0,0|2,0,1]=4 629 B8R1.2 CCc1cnccn1 Amb6374282 [0,0,0,1,0,0|2,0,1]=4 630 B8R1.2 CCc1cncnc1 Amb24097063 [0,0,0,1,0,0|3,0,0]=4 631 B8R1.2 CCc1ncccn1 Amb33544267 [0,0,0,1,0,0|2,0,1]=4 632 B8R1.2 CNC1=CC[N-]C=C1 Amb26860853 [0,0,0,1,0,0|3,0,0]=4 633 B8R1.2 CNc1ccccc1 Amb2721038 [0,0,0,1,0,0|2,0,1]=4 634 B8R1.2 CNc1ccccc1 Amb4037054 [0,0,0,1,0,0|2,0,1]=4 635 B8R1.2 CNc1ccccn1 Amb3429849 [0,0,0,1,0,0|2,0,1]=4 636 B8R1.2 CNc1cccnc1 Amb8396762 [0,0,0,1,0,0|3,0,0]=4 637 B8R1.2 CNc1cccnn1 Amb18947507 [0,0,0,1,0,0|3,0,0]=4 638 B8R1.2 COC1=CCC=CC1 Amb10842162 [0,0,0,1,0,0|2,0,1]=4 639 B8R1.2 COC1C=CCCO1 Amb27443733 [0,0,0,1,0,0|1,0,2]=4 640 B8R1.2 COc1ccccc1 Amb2842269 [0,0,0,1,0,0|2,0,1]=4 641 B8R1.2 COc1ccccn1 Amb4037280 [0,0,0,1,0,0|2,0,1]=4 642 B8R1.2 COc1cccnc1 Amb8517634 [0,0,0,1,0,0|3,0,0]=4 643 B8R1.2 COc1cccnn1 Amb5751228 [0,0,0,1,0,0|3,0,0]=4 644 B8R1.2 CPc1ccccc1 Amb25341327 [0,0,0,1,0,0|2,0,1]=4 645 B8R1.2 CSC1=CC=CNC1 Amb27205077 [0,0,0,1,0,0|3,0,0]=4 646 B8R1.2 CSc1ccccc1 Amb2690593 [0,0,0,1,0,0|2,0,1]=4 647 B8R1.2 CSc1ccccn1 Amb8392843 [0,0,0,1,0,0|2,0,1]=4 648 B8R1.2 CSc1cccnc1 Amb24087396 [0,0,0,1,0,0|3,0,0]=4 649 B8R1.2 ClCC1=CCCCO1 Amb23585659 [0,0,0,1,0,0|1,0,2]=4 650 B8R1.2 ClCC1=COCCO1 Amb28199866 [0,0,0,1,0,0|2,0,1]=4 651 B8R1.2 ClCC1=CSCCO1 Amb27254189 [0,0,0,1,0,0|2,0,1]=4 652 B8R1.2 ClCC1C=CCCC1 Amb17672830 [0,0,0,1,0,0|1,0,2]=4 653 B8R1.2 ClCC1CC=CCC1 Amb24481355 [0,0,0,1,0,0|1,0,2]=4 654 B8R1.2 ClCC1CC=CCO1 Amb27494302 [0,0,0,1,0,0|1,0,2]=4 655 B8R1.2 ClCc1ccccc1 Amb2792911 [0,0,0,1,0,0|1,0,2]=4 656 B8R1.2 ClCc1ccccn1 Amb22489454 [0,0,0,1,0,0|2,0,1]=4 657 B8R1.2 ClCc1ccccn1 Amb534985 [0,0,0,1,0,0|2,0,1]=4 658 B8R1.2 ClCc1ccccn1 Amb6296082 [0,0,0,1,0,0|2,0,1]=4 659 B8R1.2 ClCc1cccnc1 Amb2725600 [0,0,0,1,0,0|2,0,1]=4 660 B8R1.2 ClCc1cccnc1 Amb534994 [0,0,0,1,0,0|2,0,1]=4 661 B8R1.2 ClCc1cccnn1 Amb21960122 [0,0,0,1,0,0|3,0,0]=4 662 B8R1.2 ClCc1cccnn1 Amb22000870 [0,0,0,1,0,0|3,0,0]=4 663 B8R1.2 FCc1ccccc1 Amb10838335 [0,0,0,1,0,0|1,0,2]=4 664 B8R1.2 FCc1cccnc1 Amb25259171 [0,0,0,1,0,0|2,0,1]=4 665 B8R1.2 ICC1CC=CCC1 Amb30018639 [0,0,0,1,0,0|1,0,2]=4 666 B8R1.2 ICc1ccccc1 Amb4006861 [0,0,0,1,0,0|1,0,2]=4 667 B8R1.2 ICc1ccccn1 Amb26963503 [0,0,0,1,0,0|2,0,1]=4 668 B8R1.2 ICc1cccnc1 Amb10602162 [0,0,0,1,0,0|2,0,1]=4 669 B8R1.2 ICc1cccnc1 Amb33527054 [0,0,0,1,0,0|2,0,1]=4 670 B8R1.2 N#CC1=CC=CNC1 Amb27166581 [0,0,0,1,0,0|2,0,1]=4 671 B8R1.2 NCC1=CCCCC1 Amb10607847 [0,0,0,1,0,0|1,0,2]=4 672 B8R1.2 NCC1=CCCCC1 Amb22587029 [0,0,0,1,0,0|1,0,2]=4 673 B8R1.2 NCC1=CCCCO1 Amb33457505 [0,0,0,1,0,0|1,0,2]=4 674 B8R1.2 NCC1=CCCCO1 Amb8009853 [0,0,0,1,0,0|1,0,2]=4 675 B8R1.2 NCC1=CCNCC1 Amb26942552 [0,0,0,1,0,0|2,0,1]=4 676 B8R1.2 NCC1=CCNCC1 Amb33483617 [0,0,0,1,0,0|2,0,1]=4 677 B8R1.2 NCC1=CCOC=C1 Amb28313810 [0,0,0,1,0,0|2,0,1]=4 678 B8R1.2 NCC1=CCOCC1 Amb24608110 [0,0,0,1,0,0|2,0,1]=4 679 B8R1.2 NCC1=CCOCC1 Amb28934924 [0,0,0,1,0,0|2,0,1]=4 680 B8R1.2 NCC1=COC=CO1 Amb28241554 [0,0,0,1,0,0|2,0,1]=4 681 B8R1.2 NCC1=COCCC1 Amb27202637 [0,0,0,1,0,0|2,0,1]=4 682 B8R1.2 NCC1=COCCO1 Amb9677510 [0,0,0,1,0,0|2,0,1]=4 683 B8R1.2 NCC1C=CCCC1 Amb18641664 [0,0,0,1,0,0|1,0,2]=4 684 B8R1.2 NCC1CC=CCC1 Amb17718909 [0,0,0,1,0,0|1,0,2]=4 685 B8R1.2 NCC1CC=CCO1 Amb33457361 [0,0,0,1,0,0|1,0,2]=4 686 B8R1.2 NCC1CC=CCO1 Amb33457362 [0,0,0,1,0,0|1,0,2]=4 687 B8R1.2 NCC1CCC=CO1 Amb16233709 [0,0,0,1,0,0|2,0,1]=4 688 B8R1.2 NCc1ccccc1 Amb19958612 [0,0,0,1,0,0|1,0,2]=4 689 B8R1.2 NCc1ccccc1 Amb2725314 [0,0,0,1,0,0|1,0,2]=4 690 B8R1.2 NCc1ccccc1 Amb2792834 [0,0,0,1,0,0|1,0,2]=4 691 B8R1.2 NCc1ccccc1 Amb6383294 [0,0,0,1,0,0|1,0,2]=4 692 B8R1.2 NCc1ccccn1 Amb20620292 [0,0,0,1,0,0|2,0,1]=4 693 B8R1.2 NCc1ccccn1 Amb2684477 [0,0,0,1,0,0|2,0,1]=4 694 B8R1.2 NCc1cccnc1 Amb1481403 [0,0,0,1,0,0|2,0,1]=4 695 B8R1.2 NCc1cccnc1 Amb2189172 [0,0,0,1,0,0|2,0,1]=4 696 B8R1.2 NCc1cccnc1 Amb6383332 [0,0,0,1,0,0|2,0,1]=4 697 B8R1.2 NCc1cccnn1 Amb24183396 [0,0,0,1,0,0|3,0,0]=4 698 B8R1.2 NCc1cccnn1 Amb8009405 [0,0,0,1,0,0|3,0,0]=4 699 B8R1.2 O=CC1=CC=CSC1 Amb28194907 [0,0,0,1,0,0|1,0,2]=4 700 B8R1.2 OCC1=CCCCC1 Amb24122911 [0,0,0,1,0,0|0,0,2]=3 701 B8R1.2 OCC1=CCCCO1 Amb20248629 [0,0,0,1,0,0|1,0,2]=4 702 B8R1.2 OCC1=CCCOC1 Amb24329074 [0,0,0,1,0,0|1,0,2]=4 703 B8R1.2 OCC1=CCOCC1 Amb27394889 [0,0,0,1,0,0|1,0,1]=3 704 B8R1.2 OCC1=CCSCC1 Amb28189541 [0,0,0,1,0,0|1,0,1]=3 705 B8R1.2 OCC1=COCCC1 Amb24426430 [0,0,0,1,0,0|1,0,1]=3 706 B8R1.2 OCC1=COCCO1 Amb19319714 [0,0,0,1,0,0|2,0,1]=4 707 B8R1.2 OCC1=CSCCS1 Amb27766515 [0,0,0,1,0,0|2,0,1]=4 708 B8R1.2 OCC1=NOCCC1 Amb25675358 [0,0,0,1,0,0|2,0,1]=4 709 B8R1.2 OCC1C=CCCC1 Amb17593156 [0,0,0,1,0,0|0,0,2]=3 710 B8R1.2 OCC1C=CCCN1 Amb32683449 [0,0,0,1,0,0|1,0,2]=4 711 B8R1.2 OCC1C=CCCO1 Amb27249902 [0,0,0,1,0,0|1,0,2]=4 712 B8R1.2 OCC1C=CCOC1 Amb27755980 [0,0,0,1,0,0|1,0,2]=4 713 B8R1.2 OCC1CC=CCC1 Amb3939071 [0,0,0,1,0,0|0,0,2]=3 714 B8R1.2 OCC1CC=CCO1 Amb25316226 [0,0,0,1,0,0|1,0,2]=4 715 B8R1.2 OCC1CCC=CO1 Amb3939374 [0,0,0,1,0,0|1,0,1]=3 716 B8R1.2 OC[C@@H]1C=CCOC1 Amb27398322 [0,0,0,1,0,0|1,0,2]=4 717 B8R1.2 OC[C@H]1CC=CCO1 Amb27198230 [0,0,0,1,0,0|1,0,2]=4 718 B8R1.2 OC[C@H]1CCC=CO1 Amb27771482 [0,0,0,1,0,0|1,0,1]=3 719 B8R1.2 OCc1ccccc1 Amb3939216 [0,0,0,1,0,0|0,0,2]=3 720 B8R1.2 OCc1ccccn1 Amb16231923 [0,0,0,1,0,0|1,0,1]=3 721 B8R1.2 OCc1ccccn1 Amb2610526 [0,0,0,1,0,0|1,0,1]=3 722 B8R1.2 OCc1cccnc1 Amb2720347 [0,0,0,1,0,0|1,0,1]=3 723 B8R1.2 OCc1cccnn1 Amb5282882 [0,0,0,1,0,0|2,0,0]=3 724 B8R1.2 OCc1ccncc1 Amb24183964 [0,0,0,1,0,0|1,0,2]=4 725 B8R1.2 OCc1ccncc1 Amb2720348 [0,0,0,1,0,0|1,0,2]=4 726 B8R1.2 OCc1ccncn1 Amb7101500 [0,0,0,1,0,0|2,0,1]=4 727 B8R1.2 OCc1ccnnc1 Amb21856410 [0,0,0,1,0,0|2,0,1]=4 728 B8R1.2 OCc1cnccn1 Amb2723066 [0,0,0,1,0,0|2,0,1]=4 729 B8R1.2 OCc1cncnc1 Amb8397262 [0,0,0,1,0,0|2,0,1]=4 730 B8R1.2 OCc1ncccn1 Amb33531368 [0,0,0,1,0,0|2,0,1]=4 731 B8R1.2 ONc1ccccc1 Amb17672282 [0,0,0,1,0,0|1,0,2]=4 732 B8R1.2 ONc1cccnn1 Amb27771477 [0,0,0,1,0,0|3,0,0]=4 733 B8R1.2 O\N=C1/C=CCCC1 Amb28316146 [0,0,0,1,0,0|1,0,1]=3 734 B8R1.2 SCC1=COCCC1 Amb33319974 [0,0,0,1,0,0|1,1,1]=4 735 B8R1.2 SCC1CC=CCC1 Amb29866611 [0,0,0,1,0,0|0,1,2]=4 736 B8R1.2 SCC1CCC=CO1 Amb32788204 [0,0,0,1,0,0|1,1,1]=4 737 B8R1.2 SCc1ccccc1 Amb6608752 [0,0,0,1,0,0|0,1,2]=4 738 B8R1.2 SCc1ccccn1 Amb33542790 [0,0,0,1,0,0|1,1,1]=4 739 B8R1.2 SCc1cccnc1 Amb21984718 [0,0,0,1,0,0|1,1,1]=4 740 B8R1.2 SCc1cccnn1 Amb27461545 [0,0,0,1,0,0|2,1,0]=4 741 B8R1.2 [Mg+]Cc1ccccc1 Amb22043988 [0,0,0,1,0,0|1,0,2]=4 742 B8R1.2 [NH3+]Cc1ccccc1 Amb8488224 [0,0,0,1,0,0|1,0,2]=4 743 B8R1.2 [SiH3]Cc1ccccc1 Amb22347052 [0,0,0,1,0,0|1,0,2]=4 744 B8R1.5 CC1=CC=CNC1N Amb27633696 [0,0,0,1,0,0|2,0,1]=4 745 B8R1.5 CC1=CC=COC1N Amb27981010 [0,0,0,1,0,0|2,0,1]=4 746 B8R1.5 CC1C=CCC=[N+]1[O-] Amb27470795 [0,0,0,1,0,0|1,0,2]=4 747 B8R1.5 CC1C=CCCC1Cl Amb27816488 [0,0,0,1,0,0|1,0,2]=4 748 B8R1.5 CC1C=CCCC1N Amb27623320 [0,0,0,1,0,0|1,0,2]=4 749 B8R1.5 CC1C=NC=CC1=S Amb34915431 [0,0,0,1,0,0|1,1,1]=4 750 B8R1.5 CC1CC=CCC1C Amb22364352 [0,0,0,1,0,0|1,0,2]=4 751 B8R1.5 CC1CC=CCC1N Amb25975568 [0,0,0,1,0,0|1,0,2]=4 752 B8R1.5 CC1CCC=CC1N Amb18641660 [0,0,0,1,0,0|1,0,2]=4 753 B8R1.5 CC1OCC=CC1O Amb27978022 [0,0,0,1,0,0|1,0,1]=3 754 B8R1.5 CN1C=CC=CC1=N Amb22011801 [0,0,0,1,0,0|2,0,1]=4 755 B8R1.5 CN1C=CC=CC1=O Amb19664826 [0,0,0,1,0,0|1,0,2]=4 756 B8R1.5 CN1C=CC=CC1Cl Amb28285206 [0,0,0,1,0,0|2,0,0]=3 757 B8R1.5 C[C@@H]1C=CCC[C@@H]1Cl Amb27235850 [0,0,0,1,0,0|1,0,2]=4 758 B8R1.5 C[C@@H]1C=CCC[C@@H]1O Amb27208180 [0,0,0,1,0,0|0,0,2]=3 759 B8R1.5 C[C@@H]1C=CCC[C@H]1O Amb27442958 [0,0,0,1,0,0|0,0,2]=3 760 B8R1.5 C[C@@H]1CC=CC[C@@H]1N Amb27799251 [0,0,0,1,0,0|1,0,2]=4 761 B8R1.5 C[C@@H]1CC=CC[C@H]1C Amb28061692 [0,0,0,1,0,0|1,0,2]=4 762 B8R1.5 C[C@@H]1CC=CC[C@H]1N Amb24568280 [0,0,0,1,0,0|1,0,2]=4 763 B8R1.5 C[C@@H]1CC=CC[C@H]1N Amb32721599 [0,0,0,1,0,0|1,0,2]=4 764 B8R1.5 C[C@@H]1CC=CC[C@H]1O Amb28318165 [0,0,0,1,0,0|0,0,2]=3 765 B8R1.5 C[C@@H]1CCC=CC1O Amb28435732 [0,0,0,1,0,0|0,0,2]=3 766 B8R1.5 C[C@@H]1CCC=C[C@@H]1Cl Amb28134614 [0,0,0,1,0,0|1,0,2]=4 767 B8R1.5 C[C@@H]1CCC=C[C@@H]1O Amb27652339 [0,0,0,1,0,0|0,0,2]=3 768 B8R1.5 C[C@@H]1CCC=C[C@H]1N Amb27487557 [0,0,0,1,0,0|1,0,2]=4 769 B8R1.5 C[C@@H]1CCC=C[C@H]1O Amb28053681 [0,0,0,1,0,0|0,0,2]=3 770 B8R1.5 C[C@H]1CCC=C[C@@H]1O Amb27443159 [0,0,0,1,0,0|0,0,2]=3 771 B8R1.5 C[n+]1ccccc1Cl Amb10074893 [0,0,0,1,0,0|2,0,1]=4 772 B8R1.5 C[n+]1ccccc1Cl Amb5794569 [0,0,0,1,0,0|2,0,1]=4 773 B8R1.5 C[n+]1ccccc1F Amb26628402 [0,0,0,1,0,0|2,0,1]=4 774 B8R1.5 C[n+]1ccccc1F Amb33140972 [0,0,0,1,0,0|2,0,1]=4 775 B8R1.5 C[n+]1ccccc1N Amb1145103 [0,0,0,1,0,0|2,0,1]=4 776 B8R1.5 Cc1cccc[n+]1C Amb1147466 [0,0,0,1,0,0|2,0,1]=4 777 B8R1.5 Cc1cccc[n+]1N Amb10552646 [0,0,0,1,0,0|2,0,1]=4 778 B8R1.5 Cc1cccc[n+]1[O-] Amb8389159 [0,0,0,1,0,0|1,0,2]=4 779 B8R1.5 Cc1ccccc1Br Amb2685510 [0,0,0,1,0,0|1,0,2]=4 780 B8R1.5 Cc1ccccc1C Amb2447373 [0,0,0,1,0,0|1,0,2]=4 781 B8R1.5 Cc1ccccc1Cl Amb1694836 [0,0,0,1,0,0|1,0,2]=4 782 B8R1.5 Cc1ccccc1F Amb2688426 [0,0,0,1,0,0|1,0,2]=4 783 B8R1.5 Cc1ccccc1I Amb2688891 [0,0,0,1,0,0|1,0,2]=4 784 B8R1.5 Cc1ccccc1N Amb2793015 [0,0,0,1,0,0|1,0,2]=4 785 B8R1.5 Cc1ccccc1O Amb2447562 [0,0,0,1,0,0|0,0,2]=3 786 B8R1.5 Cc1ccccc1S Amb2690594 [0,0,0,1,0,0|0,1,2]=4 787 B8R1.5 Cc1ccccc1[Mg+] Amb22733193 [0,0,0,1,0,0|1,0,2]=4 788 B8R1.5 Cc1ccccc1[NH3+] Amb10565982 [0,0,0,1,0,0|1,0,2]=4 789 B8R1.5 Cc1ccccn1=O Amb20247250 [0,0,0,1,0,0|1,0,2]=4 790 B8R1.5 Cc1cccnc1O Amb2389971 [0,0,0,1,0,0|1,0,2]=4 791 B8R1.5 Cc1ccncc1O Amb8630818 [0,0,0,1,0,0|1,0,2]=4 792 B8R1.5 Cc1cnccc1O Amb8386832 [0,0,0,1,0,0|1,0,2]=4 793 B8R1.5 Cc1ncccc1O Amb24062097 [0,0,0,1,0,0|1,0,2]=4 794 B8R1.5 Cc1ncccc1O Amb2613384 [0,0,0,1,0,0|1,0,2]=4 795 B8R1.5 Cn1ccccc1=O Amb2609945 [0,0,0,1,0,0|1,0,2]=4 796 B8R1.5 NC1C=CC=CN1Cl Amb28119490 [0,0,0,1,0,0|3,0,0]=4 797 B8R1.5 Nc1ccccc1O Amb1927020 [0,0,0,1,0,0|1,0,2]=4 798 B8R1.5 Nc1ccccc1O Amb22167536 [0,0,0,1,0,0|1,0,2]=4 799 B8R1.5 Nc1ccccc1O Amb22735013 [0,0,0,1,0,0|1,0,2]=4 800 B8R1.5 O=C1C=CC=CN1O Amb20622284 [0,0,0,1,0,0|2,0,1]=4 801 B8R1.5 O=n1ccccc1O Amb20621417 [0,0,0,1,0,0|2,0,1]=4 802 B8R1.5 OC1=CC=CNC1O Amb28045872 [0,0,0,1,0,0|2,0,1]=4 803 B8R1.5 OC1C=CC=NC1=S Amb25850841 [0,0,0,1,0,0|2,0,1]=4 804 B8R1.5 OC1C=CSCC1O Amb27399718 [0,0,0,1,0,0|2,0,1]=4 805 B8R1.5 ON1C=CC=CC1=S Amb26615251 [0,0,0,1,0,0|2,0,1]=4 806 B8R1.5 O[C@@H]1C=CCC[C@H]1Br Amb28245256 [0,0,0,1,0,0|1,0,2]=4 807 B8R1.5 O[C@@H]1CC=CC[C@H]1Br Amb27666976 [0,0,0,1,0,0|1,0,2]=4 808 B8R1.5 O[C@@H]1CC=CC[C@H]1Cl Amb27782069 [0,0,0,1,0,0|1,0,2]=4 809 B8R1.5 O[C@@H]1CC=CC[C@H]1O Amb28318474 [0,0,0,1,0,0|1,0,2]=4 810 B8R1.5 O[C@H]1CC=CC[C@@H]1S Amb27219069 [0,0,0,1,0,0|1,0,2]=4 811 B8R1.5 Oc1ccccc1Br Amb1161818 [0,0,0,1,0,0|1,0,2]=4 812 B8R1.5 Oc1ccccc1Cl Amb3939627 [0,0,0,1,0,0|1,0,2]=4 813 B8R1.5 Oc1ccccc1F Amb2688290 [0,0,0,1,0,0|1,0,2]=4 814 B8R1.5 Oc1ccccc1I Amb4605844 [0,0,0,1,0,0|1,0,2]=4 815 B8R1.5 Oc1ccccc1O Amb2609033 [0,0,0,1,0,0|1,0,2]=4 816 B8R1.5 Oc1ccccc1P Amb27256691 [0,0,0,1,0,0|1,0,2]=4 817 B8R1.5 Oc1ccccc1S Amb2688798 [0,0,0,1,0,0|1,0,2]=4 818 B8R1.5 [BH3-][n+]1ccccc1C Amb33776327 [0,0,0,1,0,0|2,0,1]=4 819 B8R1.5 [O-][n+]1ccccc1O Amb2609928 [0,0,0,1,0,0|2,0,1]=4 820 B8R1.8 BrCC=C1CCCC1 Amb28458294 [0,0,0,1,0,0|1,0,2]=4 821 B8R1.8 BrCCc1ccco1 Amb22752866 [0,0,0,1,0,0|1,0,2]=4 822 B8R1.8 Br\C=C\c1ccco1 Amb33134803 [0,0,0,1,0,0|1,0,2]=4 823 B8R1.8 C=C=Cc1ccco1 Amb27638814 [0,0,0,1,0,0|0,0,3]=4 824 B8R1.8 CCCC1=NCCO1 Amb4034543 [0,0,0,1,0,0|1,0,2]=4 825 B8R1.8 CCCC1C=CCC1 Amb4019564 [0,0,0,1,0,0|1,0,2]=4 826 B8R1.8 CCCC1C=CCN1 Amb10608151 [0,0,0,1,0,0|1,0,2]=4 827 B8R1.8 CCCc1ccco1 Amb10070288 [0,0,0,1,0,0|0,0,2]=3 828 B8R1.8 CCCc1cccs1 Amb2690417 [0,0,0,1,0,0|0,1,2]=4 829 B8R1.8 CCCc1ccsc1 Amb17689448 [0,0,0,1,0,0|2,0,1]=4 830 B8R1.8 CCCc1cnco1 Amb35647887 [0,0,0,1,0,0|1,0,2]=4 831 B8R1.8 CCNc1ccco1 Amb27593280 [0,0,0,1,0,0|1,0,1]=3 832 B8R1.8 CCNc1ncco1 Amb25744100 [0,0,0,1,0,0|2,0,1]=4 833 B8R1.8 CCOC1=CCCC1 Amb22490985 [0,0,0,1,0,0|2,0,1]=4 834 B8R1.8 CCOc1ncco1 Amb28196629 [0,0,0,1,0,0|2,0,1]=4 835 B8R1.8 CCSc1ccco1 Amb27667158 [0,0,0,1,0,0|1,0,1]=3 836 B8R1.8 CCSc1cccs1 Amb17845323 [0,0,0,1,0,0|1,1,1]=4 837 B8R1.8 CCSc1ccsc1 Amb27797484 [0,0,0,1,0,0|3,0,0]=4 838 B8R1.8 CCSc1ncco1 Amb28365973 [0,0,0,1,0,0|2,0,1]=4 839 B8R1.8 CC\C=C1/CCNC1 Amb33136384 [0,0,0,1,0,0|2,0,1]=4 840 B8R1.8 CNCC1=CCCO1 Amb28048914 [0,0,0,1,0,0|1,0,2]=4 841 B8R1.8 CNCc1ccco1 Amb1153202 [0,0,0,1,0,0|1,0,2]=4 842 B8R1.8 CNCc1ccco1 Amb7172520 [0,0,0,1,0,0|1,0,2]=4 843 B8R1.8 CNCc1ccno1 Amb8009694 [0,0,0,1,0,0|2,0,1]=4 844 B8R1.8 COCc1ccco1 Amb24116969 [0,0,0,1,0,0|1,0,2]=4 845 B8R1.8 COCc1ccno1 Amb28316180 [0,0,0,1,0,0|2,0,1]=4 846 B8R1.8 CO[SiH2]c1ccco1 Amb27215529 [0,0,0,1,0,0|1,1,1]=4 847 B8R1.8 CSCc1ccco1 Amb8393158 [0,0,0,1,0,0|1,0,2]=4 848 B8R1.8 CSCc1ccno1 Amb28454927 [0,0,0,1,0,0|2,0,1]=4 849 B8R1.8 C\C=C\C1=CCCC1 Amb27460268 [0,0,0,1,0,0|1,0,2]=4 850 B8R1.8 C\N=C\c1cccs1 Amb27849144 [0,0,0,1,0,0|1,1,1]=4 851 B8R1.8 C\N=C\c1ccsc1 Amb27186081 [0,0,0,1,0,0|3,0,0]=4 852 B8R1.8 ClCCc1ccno1 Amb27970622 [0,0,0,1,0,0|2,0,1]=4 853 B8R1.8 ClC\C=C1\CCSC1 Amb28128310 [0,0,0,1,0,0|2,0,1]=4 854 B8R1.8 ICCc1ccco1 Amb27224391 [0,0,0,1,0,0|1,0,2]=4 855 B8R1.8 I\C=C\c1ccco1 Amb24697510 [0,0,0,1,0,0|1,0,2]=4 856 B8R1.8 NCCC1=CC=CC1 Amb27975816 [0,0,0,1,0,0|1,0,2]=4 857 B8R1.8 NCCC1=CCCC1 Amb18641665 [0,0,0,1,0,0|1,0,2]=4 858 B8R1.8 NCCC1=CCCC1 Amb32681165 [0,0,0,1,0,0|1,0,2]=4 859 B8R1.8 NCCc1ccco1 Amb1080943 [0,0,0,1,0,0|1,0,2]=4 860 B8R1.8 NCCc1ccco1 Amb22587649 [0,0,0,1,0,0|1,0,2]=4 861 B8R1.8 NCCc1ccno1 Amb32660914 [0,0,0,1,0,0|2,0,1]=4 862 B8R1.8 NCCc1ccno1 Amb33804628 [0,0,0,1,0,0|2,0,1]=4 863 B8R1.8 NCCc1ccno1 Amb8009428 [0,0,0,1,0,0|2,0,1]=4 864 B8R1.8 NCSc1ccco1 Amb27843491 [0,0,0,1,0,0|2,0,1]=4 865 B8R1.8 NC\C=C1/CCCS1 Amb27469674 [0,0,0,1,0,0|2,0,1]=4 866 B8R1.8 NC\C=C1\CCCS1 Amb28059808 [0,0,0,1,0,0|2,0,1]=4 867 B8R1.8 NC\C=C1\CCSC1 Amb27163727 [0,0,0,1,0,0|2,0,1]=4 868 B8R1.8 N\C=C\c1ccco1 Amb28367758 [0,0,0,1,0,0|1,0,2]=4 869 B8R1.8 N\N=C\c1ccco1 Amb35789578 [0,0,0,1,0,0|2,0,1]=4 870 B8R1.8 O=C\C=C1/C=COC1 Amb27461596 [0,0,0,1,0,0|1,0,2]=4 871 B8R1.8 OCC=C1C=CC=C1 Amb27662404 [0,0,0,1,0,0|0,0,2]=3 872 B8R1.8 OCCC1C=CCN1 Amb32950238 [0,0,0,1,0,0|1,0,2]=4 873 B8R1.8 OCCN1CCC=N1 Amb15701438 [0,0,0,1,0,0|2,0,1]=4 874 B8R1.8 OCC[C@@H]1C=CCO1 Amb27206175 [0,0,0,1,0,0|1,0,2]=4 875 B8R1.8 OCCc1ccco1 Amb17089516 [0,0,0,1,0,0|1,0,2]=4 876 B8R1.8 OCCc1cccs1 Amb2099445 [0,0,0,1,0,0|1,0,2]=4 877 B8R1.8 OCCc1ccno1 Amb27164449 [0,0,0,1,0,0|2,0,1]=4 878 B8R1.8 OCCc1ccns1 Amb23441022 [0,0,0,1,0,0|2,0,1]=4 879 B8R1.8 OCCc1ccoc1 Amb25802261 [0,0,0,1,0,0|1,0,2]=4 880 B8R1.8 OCCc1ccon1 Amb33198329 [0,0,0,1,0,0|2,0,1]=4 881 B8R1.8 OCCc1ccsc1 Amb3939119 [0,0,0,1,0,0|1,0,2]=4 882 B8R1.8 OCCc1ccsn1 Amb28453528 [0,0,0,1,0,0|2,0,1]=4 883 B8R1.8 O\N=C/c1cccs1 Amb27801792 [0,0,0,1,0,0|2,0,1]=4 884 B8R1.8 O\N=C\c1ccco1 Amb6374169 [0,0,0,1,0,0|2,0,1]=4 885 B8R1.8 O\N=C\c1cccs1 Amb6384738 [0,0,0,1,0,0|2,0,1]=4 886 B8R1.8 O\N=C\c1ccns1 Amb25889294 [0,0,0,1,0,0|3,0,0]=4 887 B8R1.8 O\N=C\c1ccoc1 Amb6397712 [0,0,0,1,0,0|2,0,1]=4 888 B8R1.8 O\N=C\c1ccsc1 Amb2781192 [0,0,0,1,0,0|2,0,1]=4 889 B8R1.8 SCCc1ccco1 Amb24511324 [0,0,0,1,0,0|1,0,2]=4 890 B8R1.8 SCOc1ccco1 Amb28130026 [0,0,0,1,0,0|2,0,1]=4 891 B8R1.8 [N-]=[N+]=Cc1ccco1 Amb27971199 [0,0,0,1,0,0|2,0,1]=4 892 B8R1.9 CC1CC1\C=C\CN Amb33144897 [0,0,0,1,0,0|1,0,2]=4 893 B8R1.9 CC1CC1\C=C\CO Amb33358423 [0,0,0,1,0,0|0,0,2]=3 894 B8R1.9 CC\C=C\C1CC1N Amb33268684 [0,0,0,1,0,0|1,0,2]=4 895 B8R1.9 CC\C=C\[C@@H]1C[C@H]1N Amb33268685 [0,0,0,1,0,0|1,0,2]=4 896 B8R1.10 BrC\C=C\C1CCC1 Amb27448944 [0,0,0,1,0,0|1,0,2]=4 897 B8R1.10 CC\C=C\C1CCN1 Amb33269504 [0,0,0,1,0,0|1,0,2]=4 898 B8R1.10 NC\C=C\C1CCC1 Amb33449322 [0,0,0,1,0,0|1,0,2]=4 899 B8R1.10 OC\C=C\C1CCC1 Amb33079656 [0,0,0,1,0,0|0,0,2]=3 900 B8R1.11 C#Cc1cccn1C Amb27167273 [0,0,0,1,0,0|2,0,1]=4 901 B8R1.11 C=Cc1cccn1C Amb26856954 [0,0,0,1,0,0|2,0,1]=4 902 B8R1.11 CC1CCC=C1CCl Amb27816584 [0,0,0,1,0,0|1,0,2]=4 903 B8R1.11 CC1NC=NC1CO Amb8389436 [0,0,0,1,0,0|2,0,1]=4 904 B8R1.11 CCC1=CC=CC1C Amb28247297 [0,0,0,1,0,0|1,0,0]=2 905 B8R1.11 CCC1=CCCC1C Amb26515704 [0,0,0,1,0,0|1,0,2]=4 906 B8R1.11 CCC1C=CCC1Br Amb27794804 [0,0,0,1,0,0|1,0,2]=4 907 B8R1.11 CC[C@@H]1C=CC[C@H]1Br Amb27965412 [0,0,0,1,0,0|1,0,2]=4 908 B8R1.11 CC[C@@H]1C=CC[C@H]1O Amb27208141 [0,0,0,1,0,0|0,0,2]=3 909 B8R1.11 CC[C@H]1C=CC[C@@H]1O Amb27653157 [0,0,0,1,0,0|0,0,2]=3 910 B8R1.11 CCc1cccn1N Amb20621247 [0,0,0,1,0,0|2,0,0]=3 911 B8R1.11 CCc1ccnn1C Amb6891586 [0,0,0,1,0,0|3,0,0]=4 912 B8R1.11 CCc1ccoc1Br Amb13884533 [0,0,0,1,0,0|2,0,1]=4 913 B8R1.11 CCc1ccsc1Br Amb13884511 [0,0,0,1,0,0|2,0,1]=4 914 B8R1.11 CCc1ccsc1C Amb25313892 [0,0,0,1,0,0|2,0,1]=4 915 B8R1.11 CCc1ccsc1Cl Amb27185548 [0,0,0,1,0,0|2,0,1]=4 916 B8R1.11 CCc1ccsc1I Amb26079787 [0,0,0,1,0,0|2,0,1]=4 917 B8R1.11 CCc1ccsc1N Amb28049025 [0,0,0,1,0,0|2,0,1]=4 918 B8R1.11 CCc1ccsc1O Amb26547659 [0,0,0,1,0,0|1,0,1]=3 919 B8R1.11 CCc1ccsc1S Amb32728959 [0,0,0,1,0,0|1,1,1]=4 920 B8R1.11 CCc1cncn1C Amb27848623 [0,0,0,1,0,0|3,0,0]=4 921 B8R1.11 CCc1cscc1Br Amb25343120 [0,0,0,1,0,0|2,0,1]=4 922 B8R1.11 CCc1cscc1F Amb27847096 [0,0,0,1,0,0|2,0,1]=4 923 B8R1.11 CCc1nccn1N Amb25053354 [0,0,0,1,0,0|3,0,0]=4 924 B8R1.11 CCc1occc1O Amb27444323 [0,0,0,1,0,0|1,0,1]=3 925 B8R1.11 CCc1sccc1F Amb27631779 [0,0,0,1,0,0|2,0,1]=4 926 B8R1.11 CCc1sccc1S Amb27193410 [0,0,0,1,0,0|1,1,1]=4 927 B8R1.11 CCn1cccc1N Amb25745952 [0,0,0,1,0,0|2,0,1]=4 928 B8R1.11 CCn1cncc1O Amb33226305 [0,0,0,1,0,0|2,0,1]=4 929 B8R1.11 CCn1nccc1O Amb25724305 [0,0,0,1,0,0|2,0,1]=4 930 B8R1.11 CCn1nccc1O Amb33744109 [0,0,0,1,0,0|2,0,1]=4 931 B8R1.11 CNc1cccn1C Amb25718849 [0,0,0,1,0,0|3,0,0]=4 932 B8R1.11 COC1C=CCC1O Amb27805128 [0,0,0,1,0,0|1,0,2]=4 933 B8R1.11 CO[C@@H]1CC=C[C@H]1O Amb28069634 [0,0,0,1,0,0|1,0,2]=4 934 B8R1.11 Cc1ccoc1CBr Amb18183895 [0,0,0,1,0,0|2,0,1]=4 935 B8R1.11 Cc1ccoc1CCl Amb8860567 [0,0,0,1,0,0|2,0,1]=4 936 B8R1.11 Cc1ccoc1CN Amb6572131 [0,0,0,1,0,0|2,0,1]=4 937 B8R1.11 Cc1ccoc1CO Amb6572130 [0,0,0,1,0,0|1,0,1]=3 938 B8R1.11 Cc1ccoc1CS Amb25969059 [0,0,0,1,0,0|1,1,1]=4 939 B8R1.11 Cc1ccsc1CBr Amb18325320 [0,0,0,1,0,0|2,0,1]=4 940 B8R1.11 Cc1ccsc1CCl Amb33528081 [0,0,0,1,0,0|2,0,1]=4 941 B8R1.11 Cc1ccsc1CN Amb1128389 [0,0,0,1,0,0|2,0,1]=4 942 B8R1.11 Cc1ccsc1CN Amb6892658 [0,0,0,1,0,0|2,0,1]=4 943 B8R1.11 Cc1ccsc1CO Amb837436 [0,0,0,1,0,0|1,0,1]=3 944 B8R1.11 Cc1ccsc1CS Amb24526885 [0,0,0,1,0,0|1,1,1]=4 945 B8R1.11 Cc1cncn1CO Amb27395866 [0,0,0,1,0,0|2,0,1]=4 946 B8R1.11 Cc1cnoc1CO Amb24467683 [0,0,0,1,0,0|2,0,1]=4 947 B8R1.11 Cc1cocc1CBr Amb27626287 [0,0,0,1,0,0|2,0,1]=4 948 B8R1.11 Cc1conc1CO Amb24593199 [0,0,0,1,0,0|2,0,1]=4 949 B8R1.11 Cc1cscc1CBr Amb26370548 [0,0,0,1,0,0|2,0,1]=4 950 B8R1.11 Cc1cscc1CCl Amb20528471 [0,0,0,1,0,0|2,0,1]=4 951 B8R1.11 Cc1cscc1CN Amb26437471 [0,0,0,1,0,0|2,0,1]=4 952 B8R1.11 Cc1cscc1CO Amb24483178 [0,0,0,1,0,0|1,0,1]=3 953 B8R1.11 Cc1cscc1CS Amb20528443 [0,0,0,1,0,0|1,1,1]=4 954 B8R1.11 Cc1ncoc1CO Amb5282883 [0,0,0,1,0,0|2,0,1]=4 955 B8R1.11 Cc1ncsc1CO Amb8392849 [0,0,0,1,0,0|2,0,1]=4 956 B8R1.11 Cc1nocc1CO Amb24062155 [0,0,0,1,0,0|2,0,1]=4 957 B8R1.11 Cc1nscc1CO Amb23441231 [0,0,0,1,0,0|2,0,1]=4 958 B8R1.11 Cc1occc1CBr Amb18183894 [0,0,0,1,0,0|2,0,1]=4 959 B8R1.11 Cc1occc1CN Amb2724036 [0,0,0,1,0,0|2,0,1]=4 960 B8R1.11 Cc1occc1CN Amb33545796 [0,0,0,1,0,0|2,0,1]=4 961 B8R1.11 Cc1occc1CO Amb33545810 [0,0,0,1,0,0|1,0,1]=3 962 B8R1.11 Cc1occc1CS Amb24538700 [0,0,0,1,0,0|1,1,1]=4 963 B8R1.11 Cc1ocnc1CO Amb15701316 [0,0,0,1,0,0|2,0,1]=4 964 B8R1.11 Cc1oncc1CO Amb22754687 [0,0,0,1,0,0|2,0,1]=4 965 B8R1.11 Cc1sccc1CN Amb18203029 [0,0,0,1,0,0|2,0,1]=4 966 B8R1.11 Cc1sccc1CN Amb31156120 [0,0,0,1,0,0|2,0,1]=4 967 B8R1.11 Cc1sccc1CO Amb28048918 [0,0,0,1,0,0|1,0,1]=3 968 B8R1.11 Cc1sccc1CS Amb32788874 [0,0,0,1,0,0|1,1,1]=4 969 B8R1.11 Cc1scnc1CO Amb22587438 [0,0,0,1,0,0|2,0,1]=4 970 B8R1.11 Cc1scnc1CO Amb8388250 [0,0,0,1,0,0|2,0,1]=4 971 B8R1.11 Cn1cccc1C#N Amb342676 [0,0,0,1,0,0|2,0,1]=4 972 B8R1.11 Cn1cccc1C=N Amb27638729 [0,0,0,1,0,0|2,0,1]=4 973 B8R1.11 Cn1cccc1C=O Amb2723053 [0,0,0,1,0,0|1,0,2]=4 974 B8R1.11 Cn1cccc1CBr Amb22301108 [0,0,0,1,0,0|2,0,0]=3 975 B8R1.11 Cn1cccc1CCl Amb22301109 [0,0,0,1,0,0|2,0,0]=3 976 B8R1.11 Cn1cccc1CI Amb22301110 [0,0,0,1,0,0|2,0,0]=3 977 B8R1.11 Cn1cccc1CN Amb2723054 [0,0,0,1,0,0|2,0,0]=3 978 B8R1.11 Cn1cccc1CO Amb837316 [0,0,0,1,0,0|1,0,0]=2 979 B8R1.11 Cn1cccc1CS Amb22301111 [0,0,0,1,0,0|1,1,0]=3 980 B8R1.11 Cn1cccc1C[O-] Amb22411415 [0,0,0,1,0,0|1,0,1]=3 981 B8R1.11 Cn1cccc1C[O-] Amb32411913 [0,0,0,1,0,0|1,0,1]=3 982 B8R1.11 Cn1ccnc1CBr Amb22301112 [0,0,0,1,0,0|3,0,0]=4 983 B8R1.11 Cn1ccnc1CBr Amb23385230 [0,0,0,1,0,0|3,0,0]=4 984 B8R1.11 Cn1ccnc1CCl Amb1092563 [0,0,0,1,0,0|3,0,0]=4 985 B8R1.11 Cn1ccnc1CCl Amb1154142 [0,0,0,1,0,0|3,0,0]=4 986 B8R1.11 Cn1ccnc1CF Amb22757473 [0,0,0,1,0,0|3,0,0]=4 987 B8R1.11 Cn1ccnc1CI Amb22301113 [0,0,0,1,0,0|3,0,0]=4 988 B8R1.11 Cn1ccnc1CN Amb1099139 [0,0,0,1,0,0|3,0,0]=4 989 B8R1.11 Cn1ccnc1CN Amb2154784 [0,0,0,1,0,0|3,0,0]=4 990 B8R1.11 Cn1ccnc1CN Amb21864560 [0,0,0,1,0,0|3,0,0]=4 991 B8R1.11 Cn1ccnc1CO Amb1679789 [0,0,0,1,0,0|2,0,0]=3 992 B8R1.11 Cn1ccnc1CO Amb20668539 [0,0,0,1,0,0|2,0,0]=3 993 B8R1.11 Cn1ccnc1CS Amb22301114 [0,0,0,1,0,0|2,1,0]=4 994 B8R1.11 Cn1cncc1CBr Amb23412323 [0,0,0,1,0,0|3,0,0]=4 995 B8R1.11 Cn1cncc1CCl Amb10607768 [0,0,0,1,0,0|3,0,0]=4 996 B8R1.11 Cn1cncc1CCl Amb20623570 [0,0,0,1,0,0|3,0,0]=4 997 B8R1.11 Cn1cncc1CN Amb2723359 [0,0,0,1,0,0|3,0,0]=4 998 B8R1.11 Cn1cncc1CN Amb33542702 [0,0,0,1,0,0|3,0,0]=4 999 B8R1.11 Cn1cncc1CO Amb2723358 [0,0,0,1,0,0|2,0,0]=3 1000 B8R1.11 Cn1cncc1CS Amb25294856 [0,0,0,1,0,0|2,1,0]=4 1001 B8R1.11 Cn1cnnc1CO Amb19516680 [0,0,0,1,0,0|3,0,0]=4 1002 B8R1.11 Cn1nccc1CBr Amb18790494 [0,0,0,1,0,0|3,0,0]=4 1003 B8R1.11 Cn1nccc1CBr Amb24269193 [0,0,0,1,0,0|3,0,0]=4 1004 B8R1.11 Cn1nccc1CCl Amb33547571 [0,0,0,1,0,0|3,0,0]=4 1005 B8R1.11 Cn1nccc1CCl Amb6890380 [0,0,0,1,0,0|3,0,0]=4 1006 B8R1.11 Cn1nccc1CN Amb1945791 [0,0,0,1,0,0|3,0,0]=4 1007 B8R1.11 Cn1nccc1CN Amb21953680 [0,0,0,1,0,0|3,0,0]=4 1008 B8R1.11 Cn1nccc1CN Amb2693488 [0,0,0,1,0,0|3,0,0]=4 1009 B8R1.11 Cn1nccc1CO Amb6572285 [0,0,0,1,0,0|2,0,0]=3 1010 B8R1.11 Cn1nccc1CS Amb27197783 [0,0,0,1,0,0|2,1,0]=4 1011 B8R1.11 Cn1ncnc1CO Amb10603121 [0,0,0,1,0,0|3,0,0]=4 1012 B8R1.11 Cn1ncnc1CO Amb30585096 [0,0,0,1,0,0|3,0,0]=4 1013 B8R1.11 Cn1ncnc1CO Amb32653381 [0,0,0,1,0,0|3,0,0]=4 1014 B8R1.11 Cn1nncc1CO Amb17538038 [0,0,0,1,0,0|3,0,0]=4 1015 B8R1.11 NC1C=CCC1CO Amb27403535 [0,0,0,1,0,0|1,0,2]=4 1016 B8R1.11 Nc1ccsc1CO Amb10067607 [0,0,0,1,0,0|2,0,1]=4 1017 B8R1.11 Nc1sccc1CO Amb27781063 [0,0,0,1,0,0|2,0,1]=4 1018 B8R1.11 Nn1ccnc1CO Amb27875461 [0,0,0,1,0,0|3,0,0]=4 1019 B8R1.11 O=CC1=CC=CC1[Na] Amb24646434 [0,0,0,1,0,0|1,0,2]=4 1020 B8R1.11 OCC1CC=CC1O Amb25923040 [0,0,0,1,0,0|1,0,2]=4 1021 B8R1.11 OCC1SC=CC1O Amb27763688 [0,0,0,1,0,0|2,0,1]=4 1022 B8R1.11 OC[C@@H]1CC=C[C@@H]1O Amb22233136 [0,0,0,1,0,0|1,0,2]=4 1023 B8R1.11 OC[C@@H]1OC=C[C@H]1O Amb25376799 [0,0,0,1,0,0|2,0,1]=4 1024 B8R1.11 OC[C@H]1C=CC[C@@H]1O Amb27427837 [0,0,0,1,0,0|1,0,2]=4 1025 B8R1.11 OC[C@H]1CC=C[C@H]1O Amb24514501 [0,0,0,1,0,0|1,0,2]=4 1026 B8R1.11 OC[C@H]1OC=C[C@@H]1O Amb27967186 [0,0,0,1,0,0|2,0,1]=4 1027 B8R1.11 OCc1ccoc1Br Amb26598755 [0,0,0,1,0,0|2,0,1]=4 1028 B8R1.11 OCc1ccoc1Cl Amb26370317 [0,0,0,1,0,0|2,0,1]=4 1029 B8R1.11 OCc1ccsc1Br Amb2724058 [0,0,0,1,0,0|2,0,1]=4 1030 B8R1.11 OCc1ccsc1Cl Amb27205726 [0,0,0,1,0,0|2,0,1]=4 1031 B8R1.11 OCc1cocc1F Amb28048909 [0,0,0,1,0,0|2,0,1]=4 1032 B8R1.11 OCc1cocc1I Amb28051668 [0,0,0,1,0,0|2,0,1]=4 1033 B8R1.11 OCc1cscc1Br Amb6572119 [0,0,0,1,0,0|2,0,1]=4 1034 B8R1.11 OCc1cscc1Cl Amb27646886 [0,0,0,1,0,0|2,0,1]=4 1035 B8R1.11 OCc1cscc1I Amb27796521 [0,0,0,1,0,0|2,0,1]=4 1036 B8R1.11 OCc1occc1Br Amb22498871 [0,0,0,1,0,0|2,0,1]=4 1037 B8R1.11 OCc1sccc1Br Amb18330307 [0,0,0,1,0,0|2,0,1]=4 1038 B8R1.11 OCc1sccc1Cl Amb21961457 [0,0,0,1,0,0|2,0,1]=4 1039 B8R1.11 OCc1sccc1F Amb22490780 [0,0,0,1,0,0|2,0,1]=4 1040 B8R1.11 OCc1sccc1I Amb25366864 [0,0,0,1,0,0|2,0,1]=4 1041 B8R1.12 CCC1C=CC1CO Amb28285219 [0,0,0,1,0,0|0,0,2]=3 1042 B8R1.12 OCC1C=CC1CO Amb27471112 [0,0,0,1,0,0|1,0,2]=4 1043 B8R1.12 OC[C@H]1C=C[C@H]1CO Amb27472626 [0,0,0,1,0,0|1,0,2]=4 1044 B8R1.13 CC1CC\C1=C/CN Amb27969937 [0,0,0,1,0,0|1,0,2]=4 1045 B8R1.17 CCCC1=CC1CO Amb27804429 [0,0,0,1,0,0|0,0,2]=3 1046 B8R1.17 CC\C=C1\CC1CO Amb27879710 [0,0,0,1,0,0|0,0,2]=3 1047 B8R1.22 BrC1C=CC=CCC1 Amb27629198 [0,0,0,1,0,0|1,0,0]=2 1048 B8R1.22 ClC1C=CC=CC=C1 Amb28121076 [0,0,0,1,0,0|1,0,2]=4 1049 B8R1.22 ClC1CC=CC=CC1 Amb28198665 [0,0,0,1,0,0|1,0,2]=4 1050 B8R1.22 NC1C=CC=CC=C1 Amb27620329 [0,0,0,1,0,0|1,0,2]=4 1051 B8R1.22 NC1C=CCCCC1 Amb24377373 [0,0,0,1,0,0|1,0,2]=4 1052 B8R1.22 NC1CC=CCCC1 Amb27408037 [0,0,0,1,0,0|1,0,2]=4 1053 B8R1.22 NC1CCC=CCC1 Amb24427232 [0,0,0,1,0,0|1,0,2]=4 1054 B8R1.22 NC1CCC=CCC1 Amb30585112 [0,0,0,1,0,0|1,0,2]=4 1055 B8R1.22 O=C1C=CC=CCC1 Amb17593120 [0,0,0,1,0,0|0,0,2]=3 1056 B8R1.22 OC1C=CC=CCC1 Amb27766443 [0,0,0,1,0,0|0,0,0]=1 1057 B8R1.22 OC1C=CCCCC1 Amb26034783 [0,0,0,1,0,0|0,0,2]=3 1058 B8R1.22 OC1C=COCOC1 Amb27653186 [0,0,0,1,0,0|2,0,1]=4 1059 B8R1.22 OC1CCC=CCO1 Amb28197000 [0,0,0,1,0,0|1,0,1]=3 1060 B8R1.22 O[C@@H]1C=CCCCC1 Amb28205998 [0,0,0,1,0,0|0,0,2]=3 1061 B8R1.36 CCC\C=C\C1CO1 Amb33475203 [0,0,0,1,0,0|0,0,2]=3 1062 B8R1.36 CCC\C=C\[C@@H]1CO1 Amb33373326 [0,0,0,1,0,0|0,0,2]=3 1063 B8R1.36 CCC\C=C\[C@H]1CO1 Amb33373327 [0,0,0,1,0,0|0,0,2]=3 1064 B8R1.36 CC\C=C\CC1CO1 Amb33079841 [0,0,0,1,0,0|0,0,2]=3 1065 B8R1.36 C\C=C\C=C\C1CO1 Amb27654185 [0,0,0,1,0,0|0,0,2]=3 1066 B8R1.36 NC\C=C\CC1CC1 Amb33361219 [0,0,0,1,0,0|1,0,2]=4 1067 B8R1.36 OCCCC=C1CC1 Amb28400996 [0,0,0,1,0,0|0,0,2]=3 1068 B8R1.36 OC\C=C\CC1CC1 Amb33361220 [0,0,0,1,0,0|0,0,2]=3 1069 B8R1.49 C1=CC=CCCC=C1 Amb25949178 [0,0,0,1,0,0|1,0,1]=3 1070 B8R1.49 C1=CCCCC=CC1 Amb27858879 [0,0,0,1,0,0|1,0,2]=4 1071 B8R1.49 C1=CCCCCC=C1 Amb4034451 [0,0,0,1,0,0|1,0,0]=2 1072 B8R1.49 C1=CCCCCCC1 Amb8513502 [0,0,0,1,0,0|1,0,2]=4 1073 B8R1.49 C1=CCCNCCC1 Amb28346195 [0,0,0,1,0,0|1,0,2]=4 1074 B8R1.49 C1=CCNCCCC1 Amb33038369 [0,0,0,1,0,0|1,0,2]=4 1075 B8R1.49 C1=CCNCCCC1 Amb33038370 [0,0,0,1,0,0|1,0,2]=4 1076 B8R1.49 C1=CNCCNC=C1 Amb27796067 [0,0,0,1,0,0|2,0,1]=4 1077 B5R0.2 BrC\C=C/CBr Amb28319006 [2,0,0,0,0,0|2,0,0]=4 1078 B5R0.2 BrC\C=C\CBr Amb33985973 [2,0,0,0,0,0|2,0,0]=4 1079 B5R0.2 C#C\C=C\CC Amb33267987 [2,0,0,0,0,0|0,0,2]=4 1080 B5R0.2 C#C\C=C\CO Amb17670556 [2,0,0,0,0,0|0,0,2]=4 1081 B5R0.2 C=C=CCCO Amb17593020 [2,0,0,0,0,0|0,0,2]=4 1082 B5R0.2 C=CC#CCC Amb24333935 [2,0,0,0,0,0|0,0,2]=4 1083 B5R0.2 C=CC#CCO Amb17593015 [2,0,0,0,0,0|0,0,2]=4 1084 B5R0.2 C=CCCCC Amb3940497 [2,0,0,0,0,0|0,0,2]=4 1085 B5R0.2 C=CCCCO Amb8513439 [2,0,0,0,0,0|0,0,2]=4 1086 B5R0.2 C=CCNCC Amb13951161 [2,0,0,0,0,0|1,0,1]=4 1087 B5R0.2 C=CCNCC Amb6683951 [2,0,0,0,0,0|1,0,1]=4 1088 B5R0.2 C=CCOCC Amb2684299 [2,0,0,0,0,0|1,0,1]=4 1089 B5R0.2 C=CCSCC Amb6366495 [2,0,0,0,0,0|1,0,1]=4 1090 B5R0.2 C=CC\C=C/C Amb26426294 [2,0,0,0,0,0|0,0,2]=4 1091 B5R0.2 C=CNCCC Amb27461242 [2,0,0,0,0,0|1,0,1]=4 1092 B5R0.2 C=COCCC Amb17940706 [2,0,0,0,0,0|1,0,1]=4 1093 B5R0.2 C=COCCO Amb17674184 [2,0,0,0,0,0|1,0,1]=4 1094 B5R0.2 C=CSCCO Amb27607172 [2,0,0,0,0,0|1,0,1]=4 1095 B5R0.2 C=C\C=C\C#N Amb17593012 [2,0,0,0,0,0|1,0,1]=4 1096 B5R0.2 C=C\C=C\C=C Amb17939040 [2,0,0,0,0,0|0,0,2]=4 1097 B5R0.2 C=C\C=C\C=O Amb26369847 [2,0,0,0,0,0|0,0,2]=4 1098 B5R0.2 C=C\C=C\CBr Amb24350542 [2,0,0,0,0,0|1,0,0]=3 1099 B5R0.2 C=C\C=C\CC Amb8513434 [2,0,0,0,0,0|0,0,0]=2 1100 B5R0.2 C=C\C=C\CCl Amb24401492 [2,0,0,0,0,0|1,0,0]=3 1101 B5R0.2 C=C\C=C\CN Amb26011188 [2,0,0,0,0,0|1,0,0]=3 1102 B5R0.2 C=C\C=C\CN Amb32824809 [2,0,0,0,0,0|1,0,0]=3 1103 B5R0.2 CC=C=CCCl Amb27859655 [2,0,0,0,0,0|1,0,1]=4 1104 B5R0.2 CCC#CCO Amb2721726 [2,0,0,0,0,0|0,0,2]=4 1105 B5R0.2 CCC=C=CBr Amb27194333 [2,0,0,0,0,0|1,0,1]=4 1106 B5R0.2 CCCCCO Amb3939051 [2,0,0,0,0,0|0,0,2]=4 1107 B5R0.2 CCC\C=C\Br Amb17673688 [2,0,0,0,0,0|1,0,1]=4 1108 B5R0.2 CCC\C=C\Cl Amb25026521 [2,0,0,0,0,0|1,0,1]=4 1109 B5R0.2 CCC\C=C\N Amb27217273 [2,0,0,0,0,0|1,0,1]=4 1110 B5R0.2 CCC\C=N\O Amb27213413 [2,0,0,0,0,0|1,0,1]=4 1111 B5R0.2 CCNCCO Amb19372818 [2,0,0,0,0,0|1,0,1]=4 1112 B5R0.2 CCNCCO Amb3940070 [2,0,0,0,0,0|1,0,1]=4 1113 B5R0.2 CCOCCO Amb3939142 [2,0,0,0,0,0|1,0,1]=4 1114 B5R0.2 CCO\C=C/Br Amb2455970 [2,0,0,0,0,0|2,0,0]=4 1115 B5R0.2 CCO\C=C/Cl Amb28315611 [2,0,0,0,0,0|2,0,0]=4 1116 B5R0.2 CCO\C=C\Br Amb10068669 [2,0,0,0,0,0|2,0,0]=4 1117 B5R0.2 CCSCCO Amb1085958 [2,0,0,0,0,0|1,0,1]=4 1118 B5R0.2 CCS\C=C/Cl Amb28244706 [2,0,0,0,0,0|2,0,0]=4 1119 B5R0.2 CC\C=C/C#N Amb25707862 [2,0,0,0,0,0|1,0,1]=4 1120 B5R0.2 CC\C=C/CBr Amb33483269 [2,0,0,0,0,0|1,0,0]=3 1121 B5R0.2 CC\C=C/CC Amb8517211 [2,0,0,0,0,0|0,0,1]=3 1122 B5R0.2 CC\C=C/CO Amb10975881 [2,0,0,0,0,0|0,0,0]=2 1123 B5R0.2 CC\C=C\C#N Amb9703178 [2,0,0,0,0,0|1,0,1]=4 1124 B5R0.2 CC\C=C\C=O Amb33986391 [2,0,0,0,0,0|0,0,1]=3 1125 B5R0.2 CC\C=C\CBr Amb3940176 [2,0,0,0,0,0|1,0,0]=3 1126 B5R0.2 CC\C=C\CC Amb4016243 [2,0,0,0,0,0|0,0,1]=3 1127 B5R0.2 CC\C=C\CCl Amb33051993 [2,0,0,0,0,0|1,0,0]=3 1128 B5R0.2 CC\C=C\CI Amb27634949 [2,0,0,0,0,0|1,0,0]=3 1129 B5R0.2 CC\C=C\CN Amb27447017 [2,0,0,0,0,0|1,0,0]=3 1130 B5R0.2 CC\C=C\CN Amb33526952 [2,0,0,0,0,0|1,0,0]=3 1131 B5R0.2 CC\C=C\CO Amb22347892 [2,0,0,0,0,0|0,0,0]=2 1132 B5R0.2 CC\C=C\CS Amb33341360 [2,0,0,0,0,0|0,1,0]=3 1133 B5R0.2 CN\C=C\C=O Amb24564349 [2,0,0,0,0,0|1,0,1]=4 1134 B5R0.2 CN\C=C\NC Amb26415734 [2,0,0,0,0,0|2,0,0]=4 1135 B5R0.2 CO\C=C/C=O Amb28049941 [2,0,0,0,0,0|1,0,1]=4 1136 B5R0.2 CO\C=C\C=O Amb26873964 [2,0,0,0,0,0|1,0,1]=4 1137 B5R0.2 CO\C=C\OC Amb25986508 [2,0,0,0,0,0|2,0,0]=4 1138 B5R0.2 CS\C=C\CCl Amb26494423 [2,0,0,0,0,0|2,0,0]=4 1139 B5R0.2 C\C=C/C=C/C Amb26318493 [2,0,0,0,0,0|0,0,0]=2 1140 B5R0.2 C\C=C/CCC Amb6366719 [2,0,0,0,0,0|0,0,1]=3 1141 B5R0.2 C\C=C/CCO Amb19930204 [2,0,0,0,0,0|0,0,1]=3 1142 B5R0.2 C\C=C\C=C\Br Amb27791828 [2,0,0,0,0,0|1,0,0]=3 1143 B5R0.2 C\C=C\C=C\C Amb27622458 [2,0,0,0,0,0|0,0,0]=2 1144 B5R0.2 C\C=C\CC=O Amb26655030 [2,0,0,0,0,0|0,0,2]=4 1145 B5R0.2 C\C=C\CCBr Amb32667161 [2,0,0,0,0,0|1,0,1]=4 1146 B5R0.2 C\C=C\CCCl Amb26978891 [2,0,0,0,0,0|1,0,1]=4 1147 B5R0.2 C\C=C\CCN Amb19374038 [2,0,0,0,0,0|1,0,1]=4 1148 B5R0.2 C\C=C\CCN Amb33038294 [2,0,0,0,0,0|1,0,1]=4 1149 B5R0.2 C\C=C\CCO Amb24655557 [2,0,0,0,0,0|0,0,1]=3 1150 B5R0.2 C\C=C\CNC Amb28049814 [2,0,0,0,0,0|1,0,1]=4 1151 B5R0.2 C\C=C\OCC Amb8516635 [2,0,0,0,0,0|1,0,0]=3 1152 B5R0.2 C\C=C\SSC Amb9790327 [2,0,0,0,0,0|2,0,0]=4 1153 B5R0.2 C\C=N\CCC Amb27954749 [2,0,0,0,0,0|1,0,1]=4 1154 B5R0.2 ClC\C=C/CCl Amb17612607 [2,0,0,0,0,0|2,0,0]=4 1155 B5R0.2 ClC\C=C\CBr Amb25025755 [2,0,0,0,0,0|2,0,0]=4 1156 B5R0.2 ClC\C=C\CCl Amb33512860 [2,0,0,0,0,0|2,0,0]=4 1157 B5R0.2 ClC\C=C\CI Amb25810730 [2,0,0,0,0,0|2,0,0]=4 1158 B5R0.2 FC\C=C\CBr Amb27838048 [2,0,0,0,0,0|2,0,0]=4 1159 B5R0.2 FC\C=C\CF Amb27194556 [2,0,0,0,0,0|2,0,0]=4 1160 B5R0.2 NC\C=C/CCl Amb9825993 [2,0,0,0,0,0|2,0,0]=4 1161 B5R0.2 NC\C=C/CN Amb24093464 [2,0,0,0,0,0|2,0,0]=4 1162 B5R0.2 NC\C=C/CN Amb27795924 [2,0,0,0,0,0|2,0,0]=4 1163 B5R0.2 NC\C=C\CCl Amb32662005 [2,0,0,0,0,0|2,0,0]=4 1164 B5R0.2 NC\C=C\CCl Amb32668923 [2,0,0,0,0,0|2,0,0]=4 1165 B5R0.2 NC\C=C\CF Amb33429498 [2,0,0,0,0,0|2,0,0]=4 1166 B5R0.2 NC\C=C\CN Amb25131233 [2,0,0,0,0,0|2,0,0]=4 1167 B5R0.2 NC\C=C\CN Amb33548994 [2,0,0,0,0,0|2,0,0]=4 1168 B5R0.2 NC\C=C\CO Amb33212383 [2,0,0,0,0,0|1,0,0]=3 1169 B5R0.2 NC\C=C\CO Amb33495152 [2,0,0,0,0,0|1,0,0]=3 1170 B5R0.2 O=C\C=C/C=O Amb28146767 [2,0,0,0,0,0|1,0,1]=4 1171 B5R0.2 O=C\C=C\C=O Amb17593019 [2,0,0,0,0,0|1,0,1]=4 1172 B5R0.2 O=C\C=C\CCl Amb18122401 [2,0,0,0,0,0|1,0,1]=4 1173 B5R0.2 O=C\C=C\CF Amb33475269 [2,0,0,0,0,0|1,0,1]=4 1174 B5R0.2 O=C\C=C\CO Amb24356008 [2,0,0,0,0,0|1,0,0]=3 1175 B5R0.2 OCC=C=CCl Amb28137866 [2,0,0,0,0,0|1,0,1]=4 1176 B5R0.2 OCC\C=C\Br Amb27425005 [2,0,0,0,0,0|1,0,1]=4 1177 B5R0.2 OCC\C=C\Cl Amb27859286 [2,0,0,0,0,0|1,0,1]=4 1178 B5R0.2 OC\C=C/CO Amb8383639 [2,0,0,0,0,0|1,0,0]=3 1179 B5R0.2 OC\C=C\CBr Amb22054537 [2,0,0,0,0,0|1,0,0]=3 1180 B5R0.2 OC\C=C\CCl Amb17593109 [2,0,0,0,0,0|1,0,0]=3 1181 B5R0.2 OC\C=C\CF Amb33379282 [2,0,0,0,0,0|1,0,0]=3 1182 B5R0.2 OC\C=C\CO Amb22733427 [2,0,0,0,0,0|1,0,0]=3 1183 B5R0.2 OC\C=C\CO Amb6609016 [2,0,0,0,0,0|1,0,0]=3 1184 B5R0.2 O\C=C\C=N\O Amb27831482 [2,0,0,0,0,0|2,0,0]=4 1185 B7R0.3 C=C(CC)CCCO Amb26032857 [1,1,0,0,0,0|0,0,2]=4 1186 B7R0.3 C=C(\C=C\CC)CBr Amb33480597 [1,1,0,0,0,0|1,0,0]=3 1187 B7R0.3 C=C(\C=C\CC)CCl Amb33057664 [1,1,0,0,0,0|1,0,0]=3 1188 B7R0.3 C=C(\C=C\CC)CN Amb33225015 [1,1,0,0,0,0|1,0,0]=3 1189 B7R0.3 C=CC(=O)\C=C\CC Amb27156684 [1,1,0,0,0,0|0,0,1]=3 1190 B7R0.3 C=CC(Br)\C=C\CC Amb26887832 [1,1,0,0,0,0|0,0,2]=4 1191 B7R0.3 C=CC(C)\C=C\CO Amb27978586 [1,1,0,0,0,0|0,0,2]=4 1192 B7R0.3 C=CC(O)\C=C\CC Amb27451021 [1,1,0,0,0,0|0,0,2]=4 1193 B7R0.3 C=CC\C=C(/C)CC Amb24694420 [1,1,0,0,0,0|0,0,2]=4 1194 B7R0.3 C=CC\C=C(/Cl)CO Amb27806456 [1,1,0,0,0,0|0,0,2]=4 1195 B7R0.3 C=C\C=C\C(=O)OC Amb22350484 [1,1,0,0,0,0|1,0,1]=4 1196 B7R0.3 C=C\C=C\C(O)CO Amb28074781 [1,1,0,0,0,0|0,0,2]=4 1197 B7R0.3 CC(\C=C\CN)CO Amb26629186 [1,1,0,0,0,0|1,0,1]=4 1198 B7R0.3 CC=C=CC(=O)OC Amb26575881 [1,1,0,0,0,0|1,0,1]=4 1199 B7R0.3 CCC(=O)C\C=C\Cl Amb28349318 [1,1,0,0,0,0|1,0,1]=4 1200 B7R0.3 CCC(=O)NCCO Amb5797470 [1,1,0,0,0,0|1,0,1]=4 1201 B7R0.3 CCC(=O)OCCO Amb27217859 [1,1,0,0,0,0|1,0,1]=4 1202 B7R0.3 CCC(=O)\C=C\C=O Amb18641682 [1,1,0,0,0,0|0,0,1]=3 1203 B7R0.3 CCC(=S)NCCO Amb27203312 [1,1,0,0,0,0|1,0,1]=4 1204 B7R0.3 CCC(=S)\C=C\NC Amb27838915 [1,1,0,0,0,0|1,0,0]=3 1205 B7R0.3 CCC(C)\C=C\C=O Amb32954899 [1,1,0,0,0,0|0,0,2]=4 1206 B7R0.3 CCC(C)\C=C\CBr Amb27233120 [1,1,0,0,0,0|1,0,1]=4 1207 B7R0.3 CCC(C)\C=C\CN Amb33171992 [1,1,0,0,0,0|1,0,1]=4 1208 B7R0.3 CCC(C)\C=C\CO Amb32954901 [1,1,0,0,0,0|0,0,1]=3 1209 B7R0.3 CCC(O)\C=C\C=O Amb16233610 [1,1,0,0,0,0|0,0,2]=4 1210 B7R0.3 CCC(O)\C=C\SC Amb27641903 [1,1,0,0,0,0|1,0,1]=4 1211 B7R0.3 CCCCC(=O)CO Amb26073501 [1,1,0,0,0,0|0,0,2]=4 1212 B7R0.3 CCCNC(=O)CO Amb5798169 [1,1,0,0,0,0|1,0,1]=4 1213 B7R0.3 CCCOC(=O)CO Amb25964379 [1,1,0,0,0,0|1,0,1]=4 1214 B7R0.3 CCC\C=C(/C)CC Amb25260956 [1,1,0,0,0,0|0,0,2]=4 1215 B7R0.3 CCC\C=C(/C)CCl Amb27803634 [1,1,0,0,0,0|1,0,1]=4 1216 B7R0.3 CCC\C=C(/Cl)C=O Amb27201672 [1,1,0,0,0,0|0,0,2]=4 1217 B7R0.3 CCC\C=C(\C)CBr Amb27984757 [1,1,0,0,0,0|1,0,1]=4 1218 B7R0.3 CCC\C=C(\C)CN Amb27953132 [1,1,0,0,0,0|1,0,1]=4 1219 B7R0.3 CCC\C=C(\Cl)CCl Amb27656326 [1,1,0,0,0,0|1,0,1]=4 1220 B7R0.3 CCOCC(=O)CO Amb28066809 [1,1,0,0,0,0|1,0,1]=4 1221 B7R0.3 CCONC(=O)CO Amb27762105 [1,1,0,0,0,0|2,0,0]=4 1222 B7R0.3 CCO\C=C(/C)C=O Amb8514481 [1,1,0,0,0,0|1,0,1]=4 1223 B7R0.3 CCO\C=C(\C)C=O Amb18641771 [1,1,0,0,0,0|1,0,1]=4 1224 B7R0.3 CCS\C=C(\O)C=O Amb27412581 [1,1,0,0,0,0|1,0,1]=4 1225 B7R0.3 CC[C@H](C)\C=C\C=O Amb27873518 [1,1,0,0,0,0|0,0,2]=4 1226 B7R0.3 CC[C@H](O)\C=C\C=O Amb28070938 [1,1,0,0,0,0|0,0,2]=4 1227 B7R0.3 CC\C(Br)=C\CCO Amb28453501 [1,1,0,0,0,0|0,0,1]=3 1228 B7R0.3 CC\C(C)=C/CCO Amb25264354 [1,1,0,0,0,0|0,0,1]=3 1229 B7R0.3 CC\C(C)=C\CCBr Amb10070627 [1,1,0,0,0,0|1,0,1]=4 1230 B7R0.3 CC\C(C)=C\CCN Amb27243209 [1,1,0,0,0,0|1,0,1]=4 1231 B7R0.3 CC\C(C)=C\CCO Amb28388883 [1,1,0,0,0,0|0,0,1]=3 1232 B7R0.3 CC\C(C)=C\CNC Amb31161536 [1,1,0,0,0,0|1,0,1]=4 1233 B7R0.3 CC\C=C\C(=O)CBr Amb25251595 [1,1,0,0,0,0|1,0,0]=3 1234 B7R0.3 CC\C=C\C(=O)CC Amb25283354 [1,1,0,0,0,0|0,0,1]=3 1235 B7R0.3 CC\C=C\C(=O)CCl Amb33057661 [1,1,0,0,0,0|1,0,0]=3 1236 B7R0.3 CC\C=C\C(=O)CN Amb33268678 [1,1,0,0,0,0|1,0,0]=3 1237 B7R0.3 CC\C=C\C(=O)OC Amb2689583 [1,1,0,0,0,0|1,0,0]=3 1238 B7R0.3 CC\C=C\C(C)C=O Amb33474380 [1,1,0,0,0,0|0,0,2]=4 1239 B7R0.3 CC\C=C\C(C)CBr Amb33009079 [1,1,0,0,0,0|1,0,1]=4 1240 B7R0.3 CC\C=C\C(C)CC Amb26433198 [1,1,0,0,0,0|0,0,2]=4 1241 B7R0.3 CC\C=C\C(C)CN Amb33269951 [1,1,0,0,0,0|1,0,1]=4 1242 B7R0.3 CC\C=C\C(F)C=O Amb26049149 [1,1,0,0,0,0|0,0,2]=4 1243 B7R0.3 CC\C=C\C(F)CN Amb33268199 [1,1,0,0,0,0|1,0,1]=4 1244 B7R0.3 CC\C=C\C(N)CO Amb33268713 [1,1,0,0,0,0|0,0,1]=3 1245 B7R0.3 CC\C=C\C(O)CBr Amb33009081 [1,1,0,0,0,0|1,0,1]=4 1246 B7R0.3 CC\C=C\C(O)CC Amb27619562 [1,1,0,0,0,0|0,0,2]=4 1247 B7R0.3 CC\C=C\C(O)CCl Amb33262139 [1,1,0,0,0,0|1,0,1]=4 1248 B7R0.3 CC\C=C\C(O)CF Amb33267982 [1,1,0,0,0,0|1,0,1]=4 1249 B7R0.3 CC\C=C\C(O)CN Amb33359770 [1,1,0,0,0,0|1,0,1]=4 1250 B7R0.3 CC\C=C\C(O)CO Amb32953425 [1,1,0,0,0,0|0,0,1]=3 1251 B7R0.3 CC\C=C\[C@@H](C)CO Amb28366044 [1,1,0,0,0,0|0,0,1]=3 1252 B7R0.3 CC\C=C\[C@@H](N)CO Amb33268251 [1,1,0,0,0,0|0,0,1]=3 1253 B7R0.3 CC\C=C\[C@@H](O)CC Amb28188274 [1,1,0,0,0,0|0,0,2]=4 1254 B7R0.3 CC\C=C\[C@@H](O)CN Amb33268255 [1,1,0,0,0,0|1,0,1]=4 1255 B7R0.3 CC\C=C\[C@H](N)CO Amb33268252 [1,1,0,0,0,0|0,0,1]=3 1256 B7R0.3 CC\C=C\[C@H](O)CN Amb33268254 [1,1,0,0,0,0|1,0,1]=4 1257 B7R0.3 CNC(=O)\C=C\CN Amb27196933 [1,1,0,0,0,0|2,0,0]=4 1258 B7R0.3 CNC(=O)\C=C\CN Amb29083397 [1,1,0,0,0,0|2,0,0]=4 1259 B7R0.3 COC(=O)\C=C\C=O Amb18641759 [1,1,0,0,0,0|1,0,1]=4 1260 B7R0.3 COC(=O)\C=C\CBr Amb8513243 [1,1,0,0,0,0|2,0,0]=4 1261 B7R0.3 COC(=O)\C=C\CF Amb35747826 [1,1,0,0,0,0|2,0,0]=4 1262 B7R0.3 COC(=O)\C=C\CN Amb24117125 [1,1,0,0,0,0|2,0,0]=4 1263 B7R0.3 COC(=O)\C=C\CN Amb30634316 [1,1,0,0,0,0|2,0,0]=4 1264 B7R0.3 COC(=O)\C=C\NO Amb28315962 [1,1,0,0,0,0|2,0,0]=4 1265 B7R0.3 COC(=O)\C=C\SC Amb33473626 [1,1,0,0,0,0|2,0,0]=4 1266 B7R0.3 CO\C=C\C(=O)CBr Amb26323620 [1,1,0,0,0,0|2,0,0]=4 1267 B7R0.3 CO\C=C\C(=O)OC Amb6600489 [1,1,0,0,0,0|2,0,0]=4 1268 B7R0.3 C\C(=C/CCBr)CO Amb27454855 [1,1,0,0,0,0|1,0,1]=4 1269 B7R0.3 C\C(=C/CCCl)CO Amb27600969 [1,1,0,0,0,0|1,0,1]=4 1270 B7R0.3 C\C(C=O)=C/C=N/O Amb28388650 [1,1,0,0,0,0|2,0,0]=4 1271 B7R0.3 C\C(C=O)=C/CCO Amb28255738 [1,1,0,0,0,0|1,0,1]=4 1272 B7R0.3 C\C=C(/C)CCCC Amb22229367 [1,1,0,0,0,0|0,0,2]=4 1273 B7R0.3 C\C=C(/C)NCCC Amb27881221 [1,1,0,0,0,0|1,0,1]=4 1274 B7R0.3 C\C=C/C=C(/C)C=O Amb27392706 [1,1,0,0,0,0|0,0,2]=4 1275 B7R0.3 C\C=C/CC(Cl)CC Amb27760501 [1,1,0,0,0,0|0,0,2]=4 1276 B7R0.3 C\C=C\C=C(/C)C=O Amb27204994 [1,1,0,0,0,0|0,0,2]=4 1277 B7R0.3 C\C=C\CC(=N)NO Amb26582540 [1,1,0,0,0,0|1,0,1]=4 1278 B7R0.3 C\C=C\CC(=N)OC Amb28058157 [1,1,0,0,0,0|1,0,1]=4 1279 B7R0.3 C\C=C\CC(=O)OC Amb8394879 [1,1,0,0,0,0|1,0,1]=4 1280 B7R0.3 C\C=C\CC(N)CO Amb24625761 [1,1,0,0,0,0|0,0,2]=4 1281 B7R0.3 C\C=C\CC(N)CO Amb30585118 [1,1,0,0,0,0|0,0,2]=4 1282 B7R0.3 C\C=C\CC(O)CO Amb27761815 [1,1,0,0,0,0|0,0,2]=4 1283 B7R0.3 C\C=C\CN(C)CC Amb27956345 [1,1,0,0,0,0|1,0,1]=4 1284 B7R0.3 C\C=C\C[C@@H](C)CO Amb27650152 [1,1,0,0,0,0|0,0,2]=4 1285 B7R0.3 C\C=C\C[C@@H](O)CO Amb27981099 [1,1,0,0,0,0|0,0,2]=4 1286 B7R0.3 C\C=C\C[C@H](O)CO Amb27452087 [1,1,0,0,0,0|0,0,2]=4 1287 B7R0.3 C\C=C\NC(=O)NC Amb24585267 [1,1,0,0,0,0|2,0,0]=4 1288 B7R0.3 C\C=C\NC(=O)OC Amb27838402 [1,1,0,0,0,0|2,0,0]=4 1289 B7R0.3 C\C=C\OC(=O)CCl Amb8387724 [1,1,0,0,0,0|2,0,0]=4 1290 B7R0.3 C\C=C\SC(Cl)CC Amb28138039 [1,1,0,0,0,0|1,0,1]=4 1291 B7R0.3 C\N=C(C)\C=C/NC Amb28398404 [1,1,0,0,0,0|2,0,0]=4 1292 B7R0.3 C\N=C(C)\C=C\NC Amb27489242 [1,1,0,0,0,0|2,0,0]=4 1293 B7R0.3 C\N=C\C=C(/C)NC Amb27489012 [1,1,0,0,0,0|2,0,0]=4 1294 B7R0.3 NC(\C=C\CO)CO Amb27831437 [1,1,0,0,0,0|1,0,1]=4 1295 B7R0.3 NC\C(F)=C\CCO Amb28411180 [1,1,0,0,0,0|1,0,1]=4 1296 B7R0.3 O=C\C(Br)=C/CCO Amb27841266 [1,1,0,0,0,0|1,0,1]=4 1297 B7R0.3 O=C\C(Br)=C\C=C\O Amb27204776 [1,1,0,0,0,0|1,0,1]=4 1298 B7R0.3 O=C\C(Cl)=C\C=C\O Amb28131732 [1,1,0,0,0,0|1,0,1]=4 1299 B7R0.3 O=C\C(F)=C\CCO Amb27798298 [1,1,0,0,0,0|1,0,1]=4 1300 B7R0.3 O=C\C=C\C(=O)CO Amb24574003 [1,1,0,0,0,0|1,0,0]=3 1301 B7R0.3 O=C\C=C\[C@H](O)CO Amb28208342 [1,1,0,0,0,0|1,0,1]=4 1302 B7R0.3 OCC\C=C(\Cl)CCl Amb27879840 [1,1,0,0,0,0|1,0,1]=4 1303 B7R0.4 C=C(Br)C\C=C\CO Amb27481048 [1,1,0,0,0,0|0,0,2]=4 1304 B7R0.4 C=C(C)C\C=C\CO Amb27181043 [1,1,0,0,0,0|0,0,1]=3 1305 B7R0.4 C=C\C=C\C[C@@H](C)O Amb27946739 [1,1,0,0,0,0|0,0,2]=4 1306 B7R0.4 CC#C\C=C\C(C)Cl Amb28245258 [1,1,0,0,0,0|0,0,2]=4 1307 B7R0.4 CC#C\C=C\[C@@H](C)O Amb27431386 [1,1,0,0,0,0|0,0,2]=4 1308 B7R0.4 CC(=O)C=C=CCO Amb28284681 [1,1,0,0,0,0|0,0,1]=3 1309 B7R0.4 CC(=O)\C=C/C=C\Br Amb27858614 [1,1,0,0,0,0|1,0,1]=4 1310 B7R0.4 CC(=O)\C=C\C=C\Cl Amb27233379 [1,1,0,0,0,0|1,0,1]=4 1311 B7R0.4 CC(=O)\C=C\CCF Amb33196081 [1,1,0,0,0,0|1,0,1]=4 1312 B7R0.4 CC(=O)\C=C\CCO Amb26479998 [1,1,0,0,0,0|0,0,1]=3 1313 B7R0.4 CC(Br)C=C=CCO Amb27484054 [1,1,0,0,0,0|0,0,1]=3 1314 B7R0.4 CC(C)=C=CCCO Amb27265946 [1,1,0,0,0,0|0,0,2]=4 1315 B7R0.4 CC(C)=CCCCO Amb26478086 [1,1,0,0,0,0|0,0,2]=4 1316 B7R0.4 CC(C)=COCCO Amb27662198 [1,1,0,0,0,0|1,0,1]=4 1317 B7R0.4 CC(C)=C\C=C/C=O Amb27169113 [1,1,0,0,0,0|0,0,2]=4 1318 B7R0.4 CC(C)=C\C=C\CCl Amb27778733 [1,1,0,0,0,0|1,0,0]=3 1319 B7R0.4 CC(C)=C\C=C\CO Amb28400370 [1,1,0,0,0,0|0,0,0]=2 1320 B7R0.4 CC(C)C=C=CCO Amb27424344 [1,1,0,0,0,0|0,0,1]=3 1321 B7R0.4 CC(C)C\C=C\C=O Amb33359709 [1,1,0,0,0,0|0,0,2]=4 1322 B7R0.4 CC(C)C\C=C\CN Amb24615023 [1,1,0,0,0,0|1,0,1]=4 1323 B7R0.4 CC(C)C\C=C\CO Amb25851501 [1,1,0,0,0,0|0,0,1]=3 1324 B7R0.4 CC(C)N\C=C\C=O Amb26418674 [1,1,0,0,0,0|1,0,1]=4 1325 B7R0.4 CC(C)\C=C\CCBr Amb17570209 [1,1,0,0,0,0|1,0,1]=4 1326 B7R0.4 CC(C)\C=C\CCN Amb17569896 [1,1,0,0,0,0|1,0,1]=4 1327 B7R0.4 CC(C)\C=C\CCO Amb25117403 [1,1,0,0,0,0|0,0,1]=3 1328 B7R0.4 CC(N)\C=C\CCF Amb33196065 [1,1,0,0,0,0|1,0,1]=4 1329 B7R0.4 CC(O)C\C=C\CO Amb27432058 [1,1,0,0,0,0|0,0,1]=3 1330 B7R0.4 CC(O)\C=C\C=C\Cl Amb27454846 [1,1,0,0,0,0|1,0,0]=3 1331 B7R0.4 CC(O)\C=C\CCBr Amb27228895 [1,1,0,0,0,0|1,0,1]=4 1332 B7R0.4 CC(O)\C=C\CCO Amb28138579 [1,1,0,0,0,0|0,0,1]=3 1333 B7R0.4 CCC=C=CC(C)=O Amb25830543 [1,1,0,0,0,0|0,0,1]=3 1334 B7R0.4 CCC=C=CC(C)N Amb27838389 [1,1,0,0,0,0|0,0,2]=4 1335 B7R0.4 CCCCC=C(C)C Amb22228888 [1,1,0,0,0,0|0,0,2]=4 1336 B7R0.4 CCC\C=C/C(C)=O Amb17593161 [1,1,0,0,0,0|0,0,1]=3 1337 B7R0.4 CCC\C=C\C(=N)N Amb33358507 [1,1,0,0,0,0|1,0,1]=4 1338 B7R0.4 CCC\C=C\C(=O)Cl Amb2688716 [1,1,0,0,0,0|0,0,2]=4 1339 B7R0.4 CCC\C=C\C(=O)O Amb2688715 [1,1,0,0,0,0|0,0,1]=3 1340 B7R0.4 CCC\C=C\C(C)=O Amb20240563 [1,1,0,0,0,0|0,0,1]=3 1341 B7R0.4 CCC\C=C\C(C)C Amb4019553 [1,1,0,0,0,0|0,0,2]=4 1342 B7R0.4 CCC\C=C\C(C)N Amb33374704 [1,1,0,0,0,0|0,0,2]=4 1343 B7R0.4 CCC\C=C\C(C)O Amb25083446 [1,1,0,0,0,0|0,0,1]=3 1344 B7R0.4 CCC\C=C\C(Cl)Cl Amb28385533 [1,1,0,0,0,0|1,0,1]=4 1345 B7R0.4 CCC\C=C\C(N)=O Amb26397290 [1,1,0,0,0,0|0,0,2]=4 1346 B7R0.4 CCC\C=C\[C@@H](C)N Amb33327161 [1,1,0,0,0,0|0,0,2]=4 1347 B7R0.4 CCC\C=C\[C@@H](C)O Amb33429966 [1,1,0,0,0,0|0,0,1]=3 1348 B7R0.4 CCC\C=C\[C@H](C)N Amb33327160 [1,1,0,0,0,0|0,0,2]=4 1349 B7R0.4 CCC\C=C\[C@H](C)O Amb27857282 [1,1,0,0,0,0|0,0,1]=3 1350 B7R0.4 CCN=C=CC(C)=O Amb24481402 [1,1,0,0,0,0|1,0,1]=4 1351 B7R0.4 CCO\C=C\B(O)O Amb28430050 [1,1,0,0,0,0|2,0,0]=4 1352 B7R0.4 CCO\C=C\C(=O)Cl Amb33943049 [1,1,0,0,0,0|1,0,1]=4 1353 B7R0.4 CCO\C=C\C(=O)O Amb2725260 [1,1,0,0,0,0|1,0,0]=3 1354 B7R0.4 CCO\C=C\C(C)=O Amb25330041 [1,1,0,0,0,0|1,0,0]=3 1355 B7R0.4 CCO\C=C\C(C)C Amb22261439 [1,1,0,0,0,0|1,0,1]=4 1356 B7R0.4 CCO\N=C\C(=O)O Amb27468748 [1,1,0,0,0,0|2,0,0]=4 1357 B7R0.4 CCS\C=C/C(C)=O Amb28122375 [1,1,0,0,0,0|1,0,0]=3 1358 B7R0.4 CC\C=C/CC(=O)O Amb2720526 [1,1,0,0,0,0|0,0,1]=3 1359 B7R0.4 CC\C=C/CC(C)=O Amb27974504 [1,1,0,0,0,0|0,0,1]=3 1360 B7R0.4 CC\C=C\CC(=O)Cl Amb27228151 [1,1,0,0,0,0|0,0,2]=4 1361 B7R0.4 CC\C=C\CC(=O)O Amb3940332 [1,1,0,0,0,0|0,0,1]=3 1362 B7R0.4 CC\C=C\CC(C)=O Amb25953857 [1,1,0,0,0,0|0,0,1]=3 1363 B7R0.4 CC\C=C\CC(C)Br Amb33009075 [1,1,0,0,0,0|0,0,2]=4 1364 B7R0.4 CC\C=C\CC(C)C Amb4016285 [1,1,0,0,0,0|0,0,2]=4 1365 B7R0.4 CC\C=C\CC(C)N Amb25357984 [1,1,0,0,0,0|0,0,2]=4 1366 B7R0.4 CC\C=C\CC(C)O Amb33079090 [1,1,0,0,0,0|0,0,1]=3 1367 B7R0.4 CC\C=C\CC(N)=S Amb33225501 [1,1,0,0,0,0|0,1,1]=4 1368 B7R0.4 CC\C=C\CN(C)O Amb33268704 [1,1,0,0,0,0|1,0,1]=4 1369 B7R0.4 CC\C=C\C[C@@H](C)N Amb33225016 [1,1,0,0,0,0|0,0,2]=4 1370 B7R0.4 CC\C=C\C[C@@H](C)O Amb33359513 [1,1,0,0,0,0|0,0,1]=3 1371 B7R0.4 CC\C=C\C[C@H](C)N Amb33267988 [1,1,0,0,0,0|0,0,2]=4 1372 B7R0.4 CC\C=C\C[C@H](C)O Amb33474377 [1,1,0,0,0,0|0,0,1]=3 1373 B7R0.4 CC\C=C\C[PH](=O)O Amb8391288 [1,1,0,0,0,0|1,0,1]=4 1374 B7R0.4 CNC\C=C\C(=O)O Amb25368293 [1,1,0,0,0,0|1,0,1]=4 1375 B7R0.4 CNC\C=C\C(C)C Amb27828260 [1,1,0,0,0,0|1,0,1]=4 1376 B7R0.4 COC\C=C\C(=O)O Amb33986212 [1,1,0,0,0,0|1,0,1]=4 1377 B7R0.4 COC\C=C\C(C)=O Amb33359822 [1,1,0,0,0,0|1,0,1]=4 1378 B7R0.4 COC\C=C\C(C)Cl Amb27791751 [1,1,0,0,0,0|1,0,1]=4 1379 B7R0.4 COC\C=C\C(C)N Amb33429413 [1,1,0,0,0,0|1,0,1]=4 1380 B7R0.4 CO\C=C/NC(C)=O Amb27391649 [1,1,0,0,0,0|2,0,0]=4 1381 B7R0.4 CO\C=C\NC(C)=O Amb28198239 [1,1,0,0,0,0|2,0,0]=4 1382 B7R0.4 CSC\C=C/C(C)=O Amb25713058 [1,1,0,0,0,0|1,0,1]=4 1383 B7R0.4 CSC\C=C\C(C)=O Amb33359530 [1,1,0,0,0,0|1,0,1]=4 1384 B7R0.4 CSC\C=C\C(C)Cl Amb27267373 [1,1,0,0,0,0|1,0,1]=4 1385 B7R0.4 CSC\C=C\C(C)N Amb33269663 [1,1,0,0,0,0|1,0,1]=4 1386 B7R0.4 CS\C=C\CC(=O)O Amb26656267 [1,1,0,0,0,0|1,0,1]=4 1387 B7R0.4 C[C@H](O)C\C=C\CO Amb27945050 [1,1,0,0,0,0|0,0,1]=3 1388 B7R0.4 C\C(Cl)=C\C=C\CCl Amb27849935 [1,1,0,0,0,0|1,0,0]=3 1389 B7R0.4 C\C(Cl)=C\CCCO Amb27211291 [1,1,0,0,0,0|0,0,2]=4 1390 B7R0.4 C\C=C/C=C/C(C)=O Amb28129038 [1,1,0,0,0,0|0,0,1]=3 1391 B7R0.4 C\C=C\C#CC(C)O Amb28053910 [1,1,0,0,0,0|0,0,2]=4 1392 B7R0.4 C\C=C\C=C/C(C)O Amb22342426 [1,1,0,0,0,0|0,0,0]=2 1393 B7R0.4 C\C=C\C=C\C(=N)N Amb28428922 [1,1,0,0,0,0|1,0,1]=4 1394 B7R0.4 C\C=C\C=C\C(=O)Cl Amb32664141 [1,1,0,0,0,0|0,0,2]=4 1395 B7R0.4 C\C=C\C=C\C(=O)O Amb17784698 [1,1,0,0,0,0|0,0,1]=3 1396 B7R0.4 C\C=C\C=C\C(=O)[O-] Amb33512746 [1,1,0,0,0,0|0,0,2]=4 1397 B7R0.4 C\C=C\C=C\C(=O)[O-] Amb33723188 [1,1,0,0,0,0|0,0,2]=4 1398 B7R0.4 C\C=C\C=C\C(C)=O Amb17593137 [1,1,0,0,0,0|0,0,1]=3 1399 B7R0.4 C\C=C\C=C\C(C)O Amb27843477 [1,1,0,0,0,0|0,0,0]=2 1400 B7R0.4 C\C=C\C=C\C(N)=O Amb28400805 [1,1,0,0,0,0|0,0,2]=4 1401 B7R0.4 C\C=C\C=C\[C@@H](C)O Amb27223068 [1,1,0,0,0,0|0,0,0]=2 1402 B7R0.4 C\C=C\C=N\N(C)C Amb27398333 [1,1,0,0,0,0|2,0,0]=4 1403 B7R0.4 C\C=C\CCC(C)Br Amb25889216 [1,1,0,0,0,0|0,0,2]=4 1404 B7R0.4 C\C=C\CCC(C)C Amb24401080 [1,1,0,0,0,0|0,0,2]=4 1405 B7R0.4 C\C=C\CCC(C)N Amb27838292 [1,1,0,0,0,0|0,0,2]=4 1406 B7R0.4 C\C=C\CCC(C)O Amb32665057 [1,1,0,0,0,0|0,0,2]=4 1407 B7R0.4 C\C=C\CC[C@@H](C)O Amb27652940 [1,1,0,0,0,0|0,0,2]=4 1408 B7R0.4 C\C=C\CNC(C)C Amb18641745 [1,1,0,0,0,0|1,0,1]=4 1409 B7R0.4 C\C=C\NCC(C)C Amb27839051 [1,1,0,0,0,0|1,0,1]=4 1410 B7R0.4 NCC\C=C/C(=O)O Amb27201417 [1,1,0,0,0,0|1,0,1]=4 1411 B7R0.4 O=C(O)C\C=C/CS Amb18124361 [1,1,0,0,0,0|1,0,1]=4 1412 B7R0.4 O=C(O)C\C=C\CO Amb28429811 [1,1,0,0,0,0|1,0,1]=4 1413 B7R0.4 O=C(O)C\C=C\CS Amb24693621 [1,1,0,0,0,0|1,0,1]=4 1414 B7R0.4 O=C(O)\C=C/C=N/O Amb27449866 [1,1,0,0,0,0|2,0,0]=4 1415 B7R0.4 O=C(O)\C=C\C=C\Cl Amb28189602 [1,1,0,0,0,0|1,0,1]=4 1416 B7R0.4 O=C(O)\C=C\CCBr Amb25702661 [1,1,0,0,0,0|1,0,1]=4 1417 B7R0.4 O=C(O)\C=C\CCF Amb33196445 [1,1,0,0,0,0|1,0,1]=4 1418 B7R0.7 C=C(CCC)CCO Amb27642086 [1,1,0,0,0,0|0,0,2]=4 1419 B7R0.7 C=C(\C=C/Br)OCC Amb27409775 [1,1,0,0,0,0|2,0,0]=4 1420 B7R0.7 C=CC\C(C)=C\CC Amb26515782 [1,1,0,0,0,0|0,0,2]=4 1421 B7R0.7 C=C\C=C(/C)CCC Amb24577361 [1,1,0,0,0,0|0,0,2]=4 1422 B7R0.7 CC#C\C(C)=C\CO Amb27399668 [1,1,0,0,0,0|0,0,2]=4 1423 B7R0.7 CC(\C=C\Cl)=C/CO Amb27659253 [1,1,0,0,0,0|1,0,0]=3 1424 B7R0.7 CC(\C=N\O)=C/C=O Amb27428190 [1,1,0,0,0,0|2,0,0]=4 1425 B7R0.7 CCCC(=O)\C=C\Cl Amb17593395 [1,1,0,0,0,0|1,0,1]=4 1426 B7R0.7 CCCC(=O)\C=C\N Amb17593176 [1,1,0,0,0,0|1,0,1]=4 1427 B7R0.7 CCCC(Br)\C=C\O Amb28458444 [1,1,0,0,0,0|0,0,2]=4 1428 B7R0.7 CCC\C(Br)=C/C=O Amb28252419 [1,1,0,0,0,0|0,0,2]=4 1429 B7R0.7 CCC\C(C)=C\C=O Amb27237056 [1,1,0,0,0,0|0,0,2]=4 1430 B7R0.7 CCC\C(C)=C\CCl Amb27252320 [1,1,0,0,0,0|1,0,1]=4 1431 B7R0.7 CCC\C(C)=C\CN Amb28256367 [1,1,0,0,0,0|1,0,1]=4 1432 B7R0.7 CCC\C(C)=C\CO Amb28287554 [1,1,0,0,0,0|0,0,1]=3 1433 B7R0.7 CCNC(=O)CCO Amb17334068 [1,1,0,0,0,0|1,0,1]=4 1434 B7R0.7 CCNC(=O)\C=C/Cl Amb28398559 [1,1,0,0,0,0|2,0,0]=4 1435 B7R0.7 CCOC(=N)CCO Amb27827757 [1,1,0,0,0,0|1,0,1]=4 1436 B7R0.7 CCOC(=O)CCO Amb8867845 [1,1,0,0,0,0|1,0,1]=4 1437 B7R0.7 CCOC(=O)NCO Amb25790752 [1,1,0,0,0,0|2,0,0]=4 1438 B7R0.7 CCOC(=O)\C=C/Br Amb8515599 [1,1,0,0,0,0|2,0,0]=4 1439 B7R0.7 CCOC(=O)\C=C/Cl Amb27791777 [1,1,0,0,0,0|2,0,0]=4 1440 B7R0.7 CCOC(=O)\C=C/I Amb9825994 [1,1,0,0,0,0|2,0,0]=4 1441 B7R0.7 CCOC(=O)\C=C/N Amb25275600 [1,1,0,0,0,0|2,0,0]=4 1442 B7R0.7 CCOC(=O)\C=C\Br Amb33135678 [1,1,0,0,0,0|2,0,0]=4 1443 B7R0.7 CCOC(=O)\C=C\Cl Amb27205247 [1,1,0,0,0,0|2,0,0]=4 1444 B7R0.7 CCOC(=O)\C=C\F Amb32644746 [1,1,0,0,0,0|2,0,0]=4 1445 B7R0.7 CCOC(=O)\C=C\I Amb10604155 [1,1,0,0,0,0|2,0,0]=4 1446 B7R0.7 CCOC(=O)\C=C\N Amb20247563 [1,1,0,0,0,0|2,0,0]=4 1447 B7R0.7 CCOC(=O)\C=C\S Amb30008387 [1,1,0,0,0,0|1,1,0]=4 1448 B7R0.7 CCOC(=O)\C=C\[O-] Amb10552505 [1,1,0,0,0,0|1,0,1]=4 1449 B7R0.7 CCOC(=O)\C=N\O Amb27470791 [1,1,0,0,0,0|2,0,0]=4 1450 B7R0.7 CCSC(=O)CCO Amb28044792 [1,1,0,0,0,0|1,0,1]=4 1451 B7R0.7 CCS\C(C)=C/C=O Amb18642814 [1,1,0,0,0,0|1,0,1]=4 1452 B7R0.7 CCS\C(C)=C\C=O Amb27482152 [1,1,0,0,0,0|1,0,1]=4 1453 B7R0.7 CC\C=C(/C)CCC Amb28140596 [1,1,0,0,0,0|0,0,2]=4 1454 B7R0.7 CC\C=C(/C)CCO Amb27640229 [1,1,0,0,0,0|0,0,1]=3 1455 B7R0.7 CC\C=C(\C)CCO Amb27441640 [1,1,0,0,0,0|0,0,1]=3 1456 B7R0.7 COC\C(C)=C\CO Amb32684679 [1,1,0,0,0,0|1,0,1]=4 1457 B7R0.7 C\C(=C/CO)CCO Amb27406988 [1,1,0,0,0,0|1,0,1]=4 1458 B7R0.7 C\C=C\C(=O)CCC Amb25717214 [1,1,0,0,0,0|0,0,1]=3 1459 B7R0.7 C\C=C\C(=O)CCCl Amb27803642 [1,1,0,0,0,0|1,0,1]=4 1460 B7R0.7 C\C=C\C(=O)COC Amb28315679 [1,1,0,0,0,0|1,0,1]=4 1461 B7R0.7 C\C=C\C(=O)NOC Amb28423185 [1,1,0,0,0,0|2,0,0]=4 1462 B7R0.7 C\C=C\C(=O)OCBr Amb24475318 [1,1,0,0,0,0|2,0,0]=4 1463 B7R0.7 C\C=C\C(=O)OCC Amb8513578 [1,1,0,0,0,0|1,0,0]=3 1464 B7R0.7 C\C=C\C(=O)\C=C/Cl Amb28316111 [1,1,0,0,0,0|1,0,1]=4 1465 B7R0.7 C\C=C\C(=O)\C=C\Br Amb28422704 [1,1,0,0,0,0|1,0,1]=4 1466 B7R0.7 C\C=C\C(=O)\C=C\Cl Amb27657841 [1,1,0,0,0,0|1,0,1]=4 1467 B7R0.7 C\C=C\C(=O)\C=C\N Amb27422017 [1,1,0,0,0,0|1,0,1]=4 1468 B7R0.7 C\C=C\C(=O)\C=C\O Amb28054394 [1,1,0,0,0,0|0,0,1]=3 1469 B7R0.7 C\C=C\C(Br)CCC Amb17672603 [1,1,0,0,0,0|0,0,2]=4 1470 B7R0.7 C\C=C\C(C)CCC Amb26633016 [1,1,0,0,0,0|0,0,2]=4 1471 B7R0.7 C\C=C\C(C)CCO Amb27437234 [1,1,0,0,0,0|0,0,2]=4 1472 B7R0.7 C\C=C\C(Cl)=C\CCl Amb27435614 [1,1,0,0,0,0|1,0,0]=3 1473 B7R0.7 C\C=C\C(O)CCO Amb3354799 [1,1,0,0,0,0|0,0,2]=4 1474 B7R0.7 C\C=C\[C@@H](C)CCO Amb27651868 [1,1,0,0,0,0|0,0,2]=4 1475 B7R0.7 C\C=C\[C@H](O)CCO Amb27164439 [1,1,0,0,0,0|0,0,2]=4 1476 B7R0.7 Cl\C=C\C(Cl)=C\CCl Amb27477908 [1,1,0,0,0,0|2,0,0]=4 1477 B9R0.4 CC(=C=CCO)CC(C)C Amb27486531 [0,2,0,0,0,0|0,0,2]=4 1478 B9R0.4 CC(C)C[C@H](C)\C=C\CO Amb27208174 [0,2,0,0,0,0|0,0,2]=4 1479 B9R0.4 CC(O)CC(=O)\C=C\CCl Amb27596140 [0,2,0,0,0,0|1,0,1]=4 1480 B9R0.4 CCCC\C(C)=C\C(C)O Amb27977773 [0,2,0,0,0,0|0,0,2]=4 1481 B9R0.4 CCCC\C(C)=C\[C@H](C)O Amb27766553 [0,2,0,0,0,0|0,0,2]=4 1482 B9R0.4 CC\C=C\C(=O)CC(C)C Amb25146526 [0,2,0,0,0,0|1,0,1]=4 1483 B9R0.4 CC\C=C\C(=O)C[C@@H](C)O Amb28321915 [0,2,0,0,0,0|0,0,1]=3 1484 B9R0.4 CC\C=C\C(=O)NC(C)C Amb28070431 [0,2,0,0,0,0|2,0,0]=4 1485 B9R0.4 CC\C=C\C(=O)OC(C)C Amb28205117 [0,2,0,0,0,0|2,0,0]=4 1486 B9R0.4 CC\C=C\C(=O)\C=C(/C)O Amb27427737 [0,2,0,0,0,0|0,0,1]=3 1487 B9R0.4 CC\C=C\C(C)=C\C(=O)O Amb35734787 [0,2,0,0,0,0|0,0,1]=3 1488 B9R0.4 CO\C=C\C(=O)\C=C(/C)O Amb28054328 [0,2,0,0,0,0|1,0,1]=4 1489 B9R0.4 CO\C=C\C(=O)\C=C(\C)O Amb28351376 [0,2,0,0,0,0|1,0,1]=4 1490 B9R0.5 C=C(\C=C\C=C\C)CC=O Amb28049979 [0,2,0,0,0,0|0,0,2]=4 1491 B9R0.5 C=C(\C=C\CCC)CCN Amb33373740 [0,2,0,0,0,0|1,0,1]=4 1492 B9R0.5 CC(\C=C\CCO)CCO Amb28294140 [0,2,0,0,0,0|0,0,2]=4 1493 B9R0.5 CCCC#C\C(C)=C\CO Amb27649128 [0,2,0,0,0,0|0,0,2]=4 1494 B9R0.5 CCCC(=O)O\C=C\CCl Amb27974540 [0,2,0,0,0,0|1,0,1]=4 1495 B9R0.5 CCCC(=O)\C=C/NCC Amb28321904 [0,2,0,0,0,0|1,0,1]=4 1496 B9R0.5 CCCC(=O)\C=C\CCO Amb27409476 [0,2,0,0,0,0|0,0,1]=3 1497 B9R0.5 CCCC(=O)\C=C\NCC Amb26617598 [0,2,0,0,0,0|1,0,1]=4 1498 B9R0.5 CCCC(=O)\C=C\SCC Amb25146559 [0,2,0,0,0,0|1,0,1]=4 1499 B9R0.5 CCCC(O)C\C=C\CO Amb27614990 [0,2,0,0,0,0|0,0,2]=4 1500 B9R0.5 CCCCC\C(I)=C\CO Amb4017430 [0,2,0,0,0,0|0,0,2]=4 1501 B9R0.5 CCCCS\C(C)=C\CO Amb27651728 [0,2,0,0,0,0|0,0,2]=4 1502 B9R0.5 CCCC\C=C(\C)CCO Amb27662306 [0,2,0,0,0,0|0,0,2]=4 1503 B9R0.5 CCC[C@H](O)C\C=C\CO Amb27617048 [0,2,0,0,0,0|0,0,2]=4 1504 B9R0.5 CCC\C=C\C(=O)CCC Amb17593554 [0,2,0,0,0,0|1,0,1]=4 1505 B9R0.5 CCC\C=C\C(=O)CCN Amb33327175 [0,2,0,0,0,0|1,0,1]=4 1506 B9R0.5 CCC\C=C\C(=O)CNC Amb33327172 [0,2,0,0,0,0|1,0,1]=4 1507 B9R0.5 CCC\C=C\C(=O)\C=C\Cl Amb27657727 [0,2,0,0,0,0|1,0,1]=4 1508 B9R0.5 CCC\C=C\C(=O)\C=C\O Amb28202126 [0,2,0,0,0,0|0,0,1]=3 1509 B9R0.5 CCC\C=C\C(C)CON Amb33424693 [0,2,0,0,0,0|0,0,2]=4 1510 B9R0.5 CCC\C=C\C(N)CCO Amb33327183 [0,2,0,0,0,0|0,0,2]=4 1511 B9R0.5 CCC\C=C\C(O)CCO Amb27456608 [0,2,0,0,0,0|0,0,2]=4 1512 B9R0.5 CCNC(=O)\C=C\COC Amb27648735 [0,2,0,0,0,0|1,0,0]=3 1513 B9R0.5 CCNC(=O)\C=C\OCC Amb28314257 [0,2,0,0,0,0|2,0,0]=4 1514 B9R0.5 CCOC(=O)C=C=CCO Amb27839366 [0,2,0,0,0,0|0,0,1]=3 1515 B9R0.5 CCOC(=O)\C=C\C=C\Br Amb10066940 [0,2,0,0,0,0|1,0,1]=4 1516 B9R0.5 CCOC(=O)\C=C\CC=O Amb26587773 [0,2,0,0,0,0|1,0,1]=4 1517 B9R0.5 CCOC(=O)\C=C\CCO Amb26008238 [0,2,0,0,0,0|0,0,1]=3 1518 B9R0.5 CCOC(=O)\C=C\CCO Amb33715375 [0,2,0,0,0,0|0,0,1]=3 1519 B9R0.5 CCOC(=O)\C=C\CNC Amb27227952 [0,2,0,0,0,0|2,0,0]=4 1520 B9R0.5 CCO\C=C\C(=O)OCC Amb2725613 [0,2,0,0,0,0|2,0,0]=4 1521 B9R0.5 CC\C=C(C)/C=C/CCO Amb28050672 [0,2,0,0,0,0|0,0,0]=2 1522 B9R0.5 CC\C=C(\C)C\C=C\CO Amb27761451 [0,2,0,0,0,0|0,0,0]=2 1523 B9R0.5 CC\C=C\CC(O)CCO Amb27605392 [0,2,0,0,0,0|0,0,2]=4 1524 B9R0.5 COCCC\C(C)=C\CO Amb27826189 [0,2,0,0,0,0|0,0,2]=4 1525 B9R0.5 COCOC\C(C)=C\CO Amb27471949 [0,2,0,0,0,0|1,0,1]=4 1526 B9R0.5 C\C(=C/CO)CCCCCl Amb27254213 [0,2,0,0,0,0|0,0,2]=4 1527 B9R0.5 C\C(=C/CO)CCCCO Amb27594384 [0,2,0,0,0,0|0,0,2]=4 1528 B9R0.5 C\C=C\C#C\C(C)=C\CO Amb27805432 [0,2,0,0,0,0|0,0,2]=4 1529 B9R0.5 C\C=C\C(=O)\C=C\CCC Amb28126812 [0,2,0,0,0,0|1,0,1]=4 1530 B9R0.5 C\C=C\C(=O)\C=C\SCC Amb28430572 [0,2,0,0,0,0|1,0,1]=4 1531 B9R0.5 C\C=C\C(C)C\C=C\CO Amb27615183 [0,2,0,0,0,0|0,0,2]=4 1532 B9R0.5 C\C=C\C=C\C(=O)CCC Amb27800019 [0,2,0,0,0,0|1,0,1]=4 1533 B9R0.5 C\C=C\C=C\C(=O)NCC Amb28367204 [0,2,0,0,0,0|1,0,1]=4 1534 B9R0.5 C\C=C\C=C\C(=O)NCO Amb28132643 [0,2,0,0,0,0|0,0,1]=3 1535 B9R0.5 C\C=C\C=C\C(=O)NOC Amb27650111 [0,2,0,0,0,0|1,0,1]=4 1536 B9R0.5 C\C=C\C=C\C(=O)OCC Amb6297204 [0,2,0,0,0,0|1,0,1]=4 1537 B9R0.8 C=C(CO)C(=O)NOCC Amb28285761 [0,2,0,0,0,0|2,0,0]=4 1538 B9R0.8 CCC(=O)C(=O)CCCO Amb27618249 [0,2,0,0,0,0|0,0,2]=4 1539 B9R0.8 CCC(C)C(O)\C=C\CO Amb27196838 [0,2,0,0,0,0|0,0,2]=4 1540 B9R0.8 CCCC\C(F)=C(/F)CO Amb28069334 [0,2,0,0,0,0|0,0,2]=4 1541 B9R0.8 CCC\C=C(\C)C(=O)CC Amb27854893 [0,2,0,0,0,0|1,0,1]=4 1542 B9R0.8 CCC\C=C(\C)C(=O)CO Amb27844148 [0,2,0,0,0,0|0,0,1]=3 1543 B9R0.8 CCN(C)C(=O)\C=C\CN Amb27592982 [0,2,0,0,0,0|2,0,0]=4 1544 B9R0.8 CCO\C=C(/C)C(=O)CC Amb24408384 [0,2,0,0,0,0|2,0,0]=4 1545 B9R0.8 CCO\C=C(\C)C(=O)CC Amb26548787 [0,2,0,0,0,0|2,0,0]=4 1546 B9R0.8 CC\C=C\C(=O)C(O)CC Amb24509139 [0,2,0,0,0,0|1,0,1]=4 1547 B9R0.8 CC\C=C\C(=O)N(C)CC Amb27594466 [0,2,0,0,0,0|2,0,0]=4 1548 B9R0.8 CC\C=C\[C@@H](O)[C@@H](N)CO Amb17608091 [0,2,0,0,0,0|0,0,2]=4 1549 B9R0.8 C\C=C\C=C(/C)C(=O)CC Amb28253877 [0,2,0,0,0,0|1,0,1]=4 1550 B9R0.8 C\C=C\C=C(/C)C(O)CO Amb27970548 [0,2,0,0,0,0|0,0,2]=4 1551 B9R0.18 C=CCNC(=O)\C=C\CC Amb27977640 [0,2,0,0,0,0|2,0,0]=4 1552 B9R0.18 CCCCC(=O)\C=C\CCl Amb24688759 [0,2,0,0,0,0|1,0,1]=4 1553 B9R0.18 CCCCC(O)\C=C\CO Amb28050649 [0,2,0,0,0,0|0,0,2]=4 1554 B9R0.18 CCCC[C@@H](C)\C=C\CO Amb28350350 [0,2,0,0,0,0|0,0,2]=4 1555 B9R0.18 CCCC[C@H](O)\C=C\CO Amb27213889 [0,2,0,0,0,0|0,0,2]=4 1556 B9R0.18 CCCOC(=O)\C=C\CBr Amb25216782 [0,2,0,0,0,0|1,0,1]=4 1557 B9R0.18 CCCOC(=O)\C=C\CCl Amb26063729 [0,2,0,0,0,0|1,0,1]=4 1558 B9R0.18 CCCOC(=O)\C=C\CN Amb28282734 [0,2,0,0,0,0|1,0,1]=4 1559 B9R0.18 CCC\C=C(C)/C=C/CO Amb28119581 [0,2,0,0,0,0|0,0,0]=2 1560 B9R0.18 CC\C=C\C(=O)CCC=O Amb18643586 [0,2,0,0,0,0|0,0,2]=4 1561 B9R0.18 CC\C=C\C(=O)CCCC Amb25219828 [0,2,0,0,0,0|1,0,1]=4 1562 B9R0.18 CC\C=C\C(=O)COCC Amb27839580 [0,2,0,0,0,0|1,0,1]=4 1563 B9R0.18 CC\C=C\C(=O)NCCN Amb26008017 [0,2,0,0,0,0|1,0,1]=4 1564 B9R0.18 CC\C=C\C(=O)NCCO Amb28293734 [0,2,0,0,0,0|0,0,1]=3 1565 B9R0.18 CC\C=C\C(=O)OCC#N Amb27480900 [0,2,0,0,0,0|2,0,0]=4 1566 B9R0.18 CC\C=C\C(=O)OCCF Amb27857751 [0,2,0,0,0,0|1,0,1]=4 1567 B9R0.18 CC\C=C\C(=O)OCOC Amb27598276 [0,2,0,0,0,0|1,0,0]=3 1568 B9R0.18 CC\C=C\C(=O)\C=C\CC Amb28253761 [0,2,0,0,0,0|1,0,0]=3 1569 B9R0.18 CN\C=C/C(=S)\C=C\OC Amb27755124 [0,2,0,0,0,0|1,0,1]=4 1570 B9R0.18 COC\C=C(C)/C=C/CCl Amb27814704 [0,2,0,0,0,0|1,0,0]=3 1571 B9R0.18 COC\C=C(C)/C=C/CO Amb27775894 [0,2,0,0,0,0|0,0,0]=2 1572 B9R0.18 COC\C=C(C)\C=C\C=O Amb18643552 [0,2,0,0,0,0|0,0,2]=4 1573 B9R0.18 CO\C=C\C(=O)\C=C\OC Amb28202252 [0,2,0,0,0,0|1,0,1]=4 1574 B9R0.18 CS\C=C\C(=O)NCCO Amb25296903 [0,2,0,0,0,0|1,0,1]=4 1575 B9R0.18 C\C=C\CC(C)\C=C\CO Amb27971886 [0,2,0,0,0,0|0,0,2]=4 1576 B9R0.18 NC\C=C\C(=O)NCCF Amb28341863 [0,2,0,0,0,0|2,0,0]=4 1577 B9R0.18 OC\C=C\[C@@H](O)CCCO Amb28064019 [0,2,0,0,0,0|0,0,2]=4 1578 B9R0.34 CCCC(=O)\C=C(\C)CC Amb27844093 [0,2,0,0,0,0|1,0,1]=4 1579 B9R0.34 CCCC(=O)\C=C(\O)CC Amb27854935 [0,2,0,0,0,0|1,0,1]=4 1580 B9R0.34 CCCC(C)\C=C(\C)CO Amb27171160 [0,2,0,0,0,0|0,0,2]=4 1581 B9R0.34 CCNC(=O)NC(=O)CO Amb9421632 [0,2,0,0,0,0|2,0,0]=4 1582 B9R0.34 CCOC(=O)CC(=O)CO Amb25759916 [0,2,0,0,0,0|1,0,1]=4 1583 B9R0.34 CCOC(=O)\C=C(/C)CBr Amb17613964 [0,2,0,0,0,0|2,0,0]=4 1584 B9R0.34 CCOC(=O)\C=C(/Cl)CN Amb32684928 [0,2,0,0,0,0|2,0,0]=4 1585 B9R0.34 CCOC(=O)\C=C(/Cl)CN Amb32684930 [0,2,0,0,0,0|2,0,0]=4 1586 B9R0.34 CCOC(=O)\C=C(/N)CC Amb32718799 [0,2,0,0,0,0|2,0,0]=4 1587 B9R0.34 CCOC(=O)\C=C(\Cl)CCl Amb25123280 [0,2,0,0,0,0|2,0,0]=4 1588 B9R0.34 CCO\C(C)=C\C(=O)CC Amb27848743 [0,2,0,0,0,0|2,0,0]=4 1589 B9R0.34 CC\C(C)=C/C(=O)CCO Amb27236279 [0,2,0,0,0,0|0,0,1]=3 1590 B9R0.34 CC\C=C(/C)CC(N)CO Amb27430465 [0,2,0,0,0,0|0,0,2]=4 1591 B9R0.34 CC\C=C(C)\C=C(/C)C=O Amb18643326 [0,2,0,0,0,0|0,0,2]=4 1592 B9R0.34 CC\C=C(\C)C[C@@H](C)CO Amb27448843 [0,2,0,0,0,0|0,0,2]=4 1593 B9R0.34 COC(=O)C\C(C)=C\CO Amb27206533 [0,2,0,0,0,0|1,0,1]=4 1594 B9R0.34 COC(=O)\C=C(\C)CCO Amb28281735 [0,2,0,0,0,0|1,0,1]=4 1595 B9R0.34 C\C=C\C(C)=C/C(=O)CC Amb27261991 [0,2,0,0,0,0|1,0,1]=4 1596 B9R0.35 C=C=CC(=O)\C(C)=C\CC Amb27272755 [0,2,0,0,0,0|1,0,1]=4 1597 B9R0.35 CCNC(=O)\C(C)=C\CN Amb30030276 [0,2,0,0,0,0|2,0,0]=4 1598 B9R0.35 CCOC(=O)\C(C)=C/CCl Amb24122921 [0,2,0,0,0,0|2,0,0]=4 1599 B9R0.35 CCOC(=O)\C(C)=C\CBr Amb28134119 [0,2,0,0,0,0|2,0,0]=4 1600 B9R0.35 CCOC(=O)\C(C)=C\CCl Amb27473382 [0,2,0,0,0,0|2,0,0]=4 1601 B9R0.35 CCOC(=O)\C(C)=C\CN Amb33802811 [0,2,0,0,0,0|2,0,0]=4 1602 B9R0.35 CCOC(=O)\C(C)=C\CO Amb27424882 [0,2,0,0,0,0|1,0,0]=3 1603 B9R0.35 CCOC(=O)\C(Cl)=C\CN Amb35752650 [0,2,0,0,0,0|2,0,0]=4 1604 B9R0.35 CCOC(=O)\C(Cl)=C\C[NH3+] Amb35750888 [0,2,0,0,0,0|2,0,0]=4 1605 B9R0.35 CCOC(=O)\C(F)=C\CBr Amb28435169 [0,2,0,0,0,0|2,0,0]=4 1606 B9R0.35 CCOC(=O)\C(F)=C\CN Amb33484366 [0,2,0,0,0,0|2,0,0]=4 1607 B9R0.35 CCOC(=O)\C(F)=C\CN Amb33484367 [0,2,0,0,0,0|2,0,0]=4 1608 B9R0.35 CC\C=C(/C)C(=O)OCC Amb26366279 [0,2,0,0,0,0|2,0,0]=4 1609 B9R0.35 CC\C=C(/F)C(=O)OCC Amb27467733 [0,2,0,0,0,0|2,0,0]=4 1610 B9R0.35 C\C=C\C(=O)\C(C)=C\CC Amb27262990 [0,2,0,0,0,0|1,0,1]=4 1611 B9R0.35 ClC\C=C(Cl)/C(Cl)=C\CCl Amb28287525 [0,2,0,0,0,0|2,0,0]=4 1612 B9R0.40 CCCC\C(=C\CO)CO Amb27761569 [0,2,0,0,0,0|0,0,2]=4 1613 B9R0.40 CCC\C=C(\CO)CCO Amb27471088 [0,2,0,0,0,0|0,0,2]=4 1614 B9R0.40 CC\C=C(/C=C/CO)CC Amb27838935 [0,2,0,0,0,0|0,0,0]=2 1615 B9R0.40 CC\C=C(\C=O)CCCO Amb28399203 [0,2,0,0,0,0|0,0,2]=4 1616 B9R0.40 CC\C=C(\CC)SCCO Amb27833631 [0,2,0,0,0,0|1,0,1]=4 1617 B9R0.40 CC\C=C(\CCl)CCCO Amb26397191 [0,2,0,0,0,0|0,0,2]=4 1618 B9R0.48 CC(C)\C=C\C(=O)C=[N+]=[N-] Amb20248605 [0,2,0,0,0,0|2,0,0]=4 1619 B9R0.48 CC(C)\C=C\C(=O)\C=C\O Amb27427742 [0,2,0,0,0,0|0,0,1]=3 1620 B9R0.48 CC(C)\C=C\C(C)CCO Amb27651668 [0,2,0,0,0,0|0,0,2]=4 1621 B9R0.48 CC(C)\C=C\C(N)CCO Amb26459702 [0,2,0,0,0,0|0,0,2]=4 1622 B9R0.48 CC(\C=C\B(O)O)=C/CO Amb25715979 [0,2,0,0,0,0|2,0,0]=4 1623 B9R0.48 CCCC(C)\C=C\C(C)O Amb27262557 [0,2,0,0,0,0|0,0,2]=4 1624 B9R0.48 CCNC(=O)\C=C/C(=O)O Amb1235096 [0,2,0,0,0,0|1,0,1]=4 1625 B9R0.48 CCNC(=O)\C=C\C(=O)O Amb9251696 [0,2,0,0,0,0|1,0,1]=4 1626 B9R0.48 CCOC(=O)\C=C/C(=O)O Amb24462678 [0,2,0,0,0,0|1,0,1]=4 1627 B9R0.48 CCOC(=O)\C=C\B(O)O Amb22497443 [0,2,0,0,0,0|2,0,0]=4 1628 B9R0.48 CCOC(=O)\C=C\C(=O)O Amb2189151 [0,2,0,0,0,0|1,0,1]=4 1629 B9R0.48 CCOC(=O)\C=C\C(C)C Amb20247117 [0,2,0,0,0,0|2,0,0]=4 1630 B9R0.48 CCOC(=O)\C=C\C(C)N Amb27843363 [0,2,0,0,0,0|2,0,0]=4 1631 B9R0.48 CCOC(=O)\C=C\C(F)F Amb20668965 [0,2,0,0,0,0|2,0,0]=4 1632 B9R0.48 CCOC(=O)\C=C\[C@H](C)N Amb27461424 [0,2,0,0,0,0|2,0,0]=4 1633 B9R0.48 CC\C=C(C)/C=C/C(C)=O Amb27861011 [0,2,0,0,0,0|0,0,2]=4 1634 B9R0.48 C\C=C\C(=O)\C=C\C(C)O Amb28202050 [0,2,0,0,0,0|0,0,1]=3 1635 B9R0.66 CC\C=C\C(F)(F)CCO Amb33409719 [0,2,0,0,0,0|0,0,2]=4 1636 B9R0.2 C=C(C)COC\C=C\CO Amb28050622 [0,2,0,0,0,0|1,0,1]=4 1637 B9R0.2 C=C(C)C\C=C\CCCO Amb27661168 [0,2,0,0,0,0|0,0,2]=4 1638 B9R0.2 C=C(C)\C=C\C=C\CCC Amb22641687 [0,2,0,0,0,0|1,0,1]=4 1639 B9R0.2 C=C\C=C\C=C\CC(C)=O Amb27823042 [0,2,0,0,0,0|1,0,1]=4 1640 B9R0.2 CC(=O)O\C=C\C=C\CO Amb28453851 [0,2,0,0,0,0|0,0,1]=3 1641 B9R0.2 CC(C)=CC\C=C\CCO Amb27257215 [0,2,0,0,0,0|0,0,2]=4 1642 B9R0.2 CC(C)C=C=CCCCO Amb28189165 [0,2,0,0,0,0|0,0,2]=4 1643 B9R0.2 CC(C)CC=C=CCCO Amb27427142 [0,2,0,0,0,0|0,0,2]=4 1644 B9R0.2 CC(C)CCC\C=C\CO Amb27427814 [0,2,0,0,0,0|0,0,2]=4 1645 B9R0.2 CC(C)CCS\C=C\CO Amb27839319 [0,2,0,0,0,0|0,0,2]=4 1646 B9R0.2 CC(C)OCC\C=C\CO Amb27169927 [0,2,0,0,0,0|0,0,2]=4 1647 B9R0.2 CC(C)\C=C\C=C\CCBr Amb27481567 [0,2,0,0,0,0|1,0,0]=3 1648 B9R0.2 CC(C)\C=C\C=C\CCO Amb27839295 [0,2,0,0,0,0|0,0,0]=2 1649 B9R0.2 CC(O)CCC\C=C\CO Amb27604113 [0,2,0,0,0,0|0,0,2]=4 1650 B9R0.2 CC(O)\C=C\C=C\C=C/Cl Amb27831389 [0,2,0,0,0,0|0,0,2]=4 1651 B9R0.2 CC(S)\C=C\CCCCO Amb27486620 [0,2,0,0,0,0|0,0,2]=4 1652 B9R0.2 CCCC=C=CCC(=O)O Amb27814505 [0,2,0,0,0,0|0,0,2]=4 1653 B9R0.2 CCCC=C=CCC(C)O Amb27826112 [0,2,0,0,0,0|0,0,2]=4 1654 B9R0.2 CCCCC\C=C\C(C)O Amb27472596 [0,2,0,0,0,0|0,0,2]=4 1655 B9R0.2 CCCCC\C=C\[C@H](C)O Amb27852185 [0,2,0,0,0,0|0,0,2]=4 1656 B9R0.2 CCCC\C=C\CC(=O)O Amb6297257 [0,2,0,0,0,0|0,0,2]=4 1657 B9R0.2 CCCC\C=C\CC(C)O Amb27839464 [0,2,0,0,0,0|0,0,2]=4 1658 B9R0.2 CCC\C=C/C=C/C(C)=O Amb28291455 [0,2,0,0,0,0|0,0,2]=4 1659 B9R0.2 CCC\C=C/CCC(=O)O Amb26566880 [0,2,0,0,0,0|0,0,2]=4 1660 B9R0.2 CCC\C=C\C=C\C(=O)O Amb32953792 [0,2,0,0,0,0|0,0,1]=3 1661 B9R0.2 CCC\C=C\C=C\C(C)=O Amb33079035 [0,2,0,0,0,0|0,0,2]=4 1662 B9R0.2 CCC\C=C\C=C\C(C)N Amb33373727 [0,2,0,0,0,0|1,0,0]=3 1663 B9R0.2 CCC\C=C\C=C\C(N)=O Amb28369023 [0,2,0,0,0,0|0,0,2]=4 1664 B9R0.2 CCC\C=C\C=C\[N+](=O)[O-] Amb33424826 [0,2,0,0,0,0|1,0,1]=4 1665 B9R0.2 CCC\C=C\CCC(=O)O Amb25378821 [0,2,0,0,0,0|0,0,2]=4 1666 B9R0.2 CCC\C=C\CCC(C)O Amb33424849 [0,2,0,0,0,0|0,0,2]=4 1667 B9R0.2 CCC\C=C\CC[C@@H](C)O Amb33424845 [0,2,0,0,0,0|0,0,2]=4 1668 B9R0.2 CCC\C=C\CC[C@H](C)O Amb33424847 [0,2,0,0,0,0|0,0,2]=4 1669 B9R0.2 CCS\C=C\C=C\C(=O)O Amb27471801 [0,2,0,0,0,0|0,0,1]=3 1670 B9R0.2 CC\C=C\C=C\CC(C)N Amb27759906 [0,2,0,0,0,0|1,0,0]=3 1671 B9R0.2 CC\C=C\CNCC(=O)O Amb27422845 [0,2,0,0,0,0|1,0,1]=4 1672 B9R0.2 CC\C=C\CNCC(C)O Amb27226293 [0,2,0,0,0,0|0,0,2]=4 1673 B9R0.2 CC\C=C\C\C=C\C(C)=O Amb27226161 [0,2,0,0,0,0|0,0,2]=4 1674 B9R0.2 CN(C)CC=C=CCCO Amb27839331 [0,2,0,0,0,0|0,0,2]=4 1675 B9R0.2 CN(C)C\C=C\CCCO Amb28050571 [0,2,0,0,0,0|0,0,2]=4 1676 B9R0.2 COCC\C=C\C[C@H](C)O Amb28044299 [0,2,0,0,0,0|0,0,2]=4 1677 B9R0.2 COC\C=C\C=C\C(=O)O Amb28058297 [0,2,0,0,0,0|0,0,1]=3 1678 B9R0.2 COC\C=C\CCC(C)O Amb28065896 [0,2,0,0,0,0|0,0,2]=4 1679 B9R0.2 CO\C=C\C=C\CC(=O)O Amb27874074 [0,2,0,0,0,0|1,0,0]=3 1680 B9R0.2 C\C=C\C=C\C=C\C(=O)O Amb3987814 [0,2,0,0,0,0|0,0,2]=4 1681 B9R0.2 C\C=C\C=C\CCC(=O)O Amb18643576 [0,2,0,0,0,0|0,0,2]=4 1682 B9R0.45 C#CC#C\C=C\C=C\CO Amb28069718 [0,2,0,0,0,0|0,0,2]=4 1683 B9R0.45 C#CCC\C=C\C=C\CO Amb27978390 [0,2,0,0,0,0|0,0,0]=2 1684 B9R0.45 C=CCCCC\C=C\CO Amb8389620 [0,2,0,0,0,0|0,0,2]=4 1685 B9R0.45 C=CCCC\C=C\CCO Amb27835106 [0,2,0,0,0,0|0,0,2]=4 1686 B9R0.45 C=CCC\C=C\CCCO Amb27485402 [0,2,0,0,0,0|0,0,2]=4 1687 B9R0.45 C=CC\C=C\C\C=C\CO Amb28050671 [0,2,0,0,0,0|0,0,1]=3 1688 B9R0.45 CC#CCOC\C=C\CO Amb27604264 [0,2,0,0,0,0|1,0,1]=4 1689 B9R0.45 CC#CC\C=C\CCCO Amb28201954 [0,2,0,0,0,0|0,0,2]=4 1690 B9R0.45 CCC#C\C=C\C=C\CO Amb28050712 [0,2,0,0,0,0|0,0,0]=2 1691 B9R0.45 CCC#C\C=C\CCCO Amb27485320 [0,2,0,0,0,0|0,0,2]=4 1692 B9R0.45 CCC=C=CCCCCO Amb28248694 [0,2,0,0,0,0|0,0,2]=4 1693 B9R0.45 CCCC=C=CC#CCO Amb27833654 [0,2,0,0,0,0|0,0,2]=4 1694 B9R0.45 CCCC=C=CCCCO Amb27839599 [0,2,0,0,0,0|0,0,2]=4 1695 B9R0.45 CCCCC#C\C=C\CO Amb28293235 [0,2,0,0,0,0|0,0,2]=4 1696 B9R0.45 CCCCCC\C=C/CO Amb10807383 [0,2,0,0,0,0|0,0,2]=4 1697 B9R0.45 CCCCCC\C=C\CO Amb22168300 [0,2,0,0,0,0|0,0,2]=4 1698 B9R0.45 CCCCC\C=C/CCO Amb9825885 [0,2,0,0,0,0|0,0,2]=4 1699 B9R0.45 CCCCC\C=C\CCO Amb27953070 [0,2,0,0,0,0|0,0,2]=4 1700 B9R0.45 CCCCOC\C=C\CO Amb28453524 [0,2,0,0,0,0|0,0,2]=4 1701 B9R0.45 CCCCSC\C=C\CO Amb28205928 [0,2,0,0,0,0|0,0,2]=4 1702 B9R0.45 CCCC\C=C\C=C\CCl Amb27204911 [0,2,0,0,0,0|1,0,0]=3 1703 B9R0.45 CCCC\C=C\C=C\CO Amb27445447 [0,2,0,0,0,0|0,0,0]=2 1704 B9R0.45 CCC\C=C\C#CCCO Amb27485438 [0,2,0,0,0,0|0,0,2]=4 1705 B9R0.45 CCC\C=C\C=C\C=N\O Amb27843401 [0,2,0,0,0,0|0,0,1]=3 1706 B9R0.45 CCC\C=C\C=C\CCC Amb22641685 [0,2,0,0,0,0|1,0,0]=3 1707 B9R0.45 CCC\C=C\C=C\CCN Amb27656349 [0,2,0,0,0,0|1,0,0]=3 1708 B9R0.45 CCC\C=C\C=C\CNC Amb28429325 [0,2,0,0,0,0|1,0,0]=3 1709 B9R0.45 CCC\C=C\CC#CCO Amb27838882 [0,2,0,0,0,0|0,0,2]=4 1710 B9R0.45 CCC\C=C\C\C=C\C=O Amb27635823 [0,2,0,0,0,0|0,0,2]=4 1711 B9R0.45 CCS\C=C\C#CCCO Amb27969113 [0,2,0,0,0,0|0,0,2]=4 1712 B9R0.45 CC\C=C/C=C\C=C\C=O Amb27223181 [0,2,0,0,0,0|0,0,2]=4 1713 B9R0.45 CC\C=C/CC\C=C\C=O Amb2720527 [0,2,0,0,0,0|0,0,2]=4 1714 B9R0.45 CC\C=C/CC\C=C\CO Amb8515211 [0,2,0,0,0,0|0,0,0]=2 1715 B9R0.45 CC\C=C/C\C=C/CC=O Amb18643319 [0,2,0,0,0,0|0,0,1]=3 1716 B9R0.45 CC\C=C/C\C=C/CCO Amb22226805 [0,2,0,0,0,0|0,0,0]=2 1717 B9R0.45 CC\C=C\C#CCCCO Amb28050570 [0,2,0,0,0,0|0,0,2]=4 1718 B9R0.45 CC\C=C\C=C/C=C/C=O Amb27244697 [0,2,0,0,0,0|0,0,2]=4 1719 B9R0.45 CC\C=C\C=C\C=C\C=O Amb28458226 [0,2,0,0,0,0|0,0,2]=4 1720 B9R0.45 CC\C=C\C=C\C=C\CO Amb28050682 [0,2,0,0,0,0|0,0,0]=2 1721 B9R0.45 CC\C=C\C=C\CCC=O Amb27841138 [0,2,0,0,0,0|0,0,1]=3 1722 B9R0.45 CC\C=C\CC\C=C\C#N Amb26607477 [0,2,0,0,0,0|1,0,1]=4 1723 B9R0.45 CC\C=C\CC\C=C\C=O Amb18124509 [0,2,0,0,0,0|0,0,2]=4 1724 B9R0.45 CC\C=C\CC\C=C\CBr Amb26333018 [0,2,0,0,0,0|1,0,0]=3 1725 B9R0.45 CC\C=C\CC\C=C\CC Amb24558322 [0,2,0,0,0,0|1,0,0]=3 1726 B9R0.45 CC\C=C\CNCCOC Amb27432873 [0,2,0,0,0,0|0,0,2]=4 1727 B9R0.45 CC\C=C\C\C=C\CC=O Amb28255687 [0,2,0,0,0,0|0,0,1]=3 1728 B9R0.45 CC\C=C\C\C=C\CCO Amb27982236 [0,2,0,0,0,0|0,0,0]=2 1729 B9R0.45 CSCCCC\C=C\CO Amb27604531 [0,2,0,0,0,0|0,0,2]=4 1730 B9R0.45 CSC\C=C\CCCCO Amb27603346 [0,2,0,0,0,0|0,0,2]=4 1731 B9R0.45 C\C=C\C=C/C=C/CCC Amb22641677 [0,2,0,0,0,0|1,0,1]=4 1732 B9R0.45 C\C=C\C=C\C=C\CCBr Amb28053636 [0,2,0,0,0,0|1,0,1]=4 1733 B9R0.45 C\C=C\C=C\C=C\CCCl Amb28195306 [0,2,0,0,0,0|1,0,1]=4 1734 B9R0.45 C\C=C\C=C\COCOC Amb28185052 [0,2,0,0,0,0|0,0,2]=4 1735 B9R0.45 C\C=C\CC\C=C\CCO Amb27210858 [0,2,0,0,0,0|0,0,2]=4 1736 B9R0.45 C\C=C\C\C=C\CCCO Amb27977518 [0,2,0,0,0,0|0,0,2]=4 1737 B9R0.45 ClC\C=C\C#C\C=C\CCl Amb27772438 [0,2,0,0,0,0|2,0,0]=4 1738 B9R0.45 N#CCCCC\C=C\CO Amb27770521 [0,2,0,0,0,0|0,0,2]=4 1739 B9R0.45 N#CCCC\C=C\CCO Amb28050627 [0,2,0,0,0,0|0,0,2]=4 1740 B9R0.45 N#C\C=C\C=C\CCC=O Amb27590706 [0,2,0,0,0,0|1,0,1]=4 1741 B9R0.45 NCC\C=C\C=C\CCN Amb28349159 [0,2,0,0,0,0|1,0,0]=3 1742 B9R0.45 NC\C=C\CC\C=C\CN Amb18643656 [0,2,0,0,0,0|2,0,0]=4 1743 B9R0.45 OCC#CC=C=CCCO Amb28435829 [0,2,0,0,0,0|0,0,2]=4 1744 B9R0.45 OCCC=C=CCCCO Amb28188308 [0,2,0,0,0,0|0,0,2]=4 1745 B9R0.45 OCCCC\C=C\CCBr Amb27646614 [0,2,0,0,0,0|0,0,2]=4 1746 B9R0.45 OCCCC\C=C\CCI Amb22364697 [0,2,0,0,0,0|0,0,2]=4 1747 B9R0.45 OCCC\C=C/CCCCl Amb27437510 [0,2,0,0,0,0|0,0,2]=4 1748 B9R0.45 OC\C=C\C=C=CCCO Amb27260215 [0,2,0,0,0,0|0,0,0]=2 1749 B9R0.45 OC\C=C\C=C\C=C\CO Amb27630063 [0,2,0,0,0,0|0,0,1]=3 1750 B9R0.45 OC\C=C\CCCCCBr Amb24666213 [0,2,0,0,0,0|0,0,2]=4 1751 B9R0.45 OC\C=C\CCCCCO Amb27204813 [0,2,0,0,0,0|0,0,2]=4 1752 B9R0.45 OC\C=C\CC\C=C\CO Amb27255256 [0,2,0,0,0,0|1,0,0]=3 1753 B9R0.46 C#CC(O)\C=C\CCCC Amb28050685 [0,2,0,0,0,0|0,0,2]=4 1754 B9R0.46 C#C\C=C\C=C\C(O)CC Amb27211507 [0,2,0,0,0,0|0,0,2]=4 1755 B9R0.46 C=C(CC)C\C=C\CCCl Amb27476635 [0,2,0,0,0,0|1,0,1]=4 1756 B9R0.46 CCC(=O)NC\C=C\CN Amb27447780 [0,2,0,0,0,0|1,0,1]=4 1757 B9R0.46 CCC(=O)OC\C=C\CO Amb27448767 [0,2,0,0,0,0|0,0,1]=3 1758 B9R0.46 CCC(C)\C=C\C=C/C=O Amb18643327 [0,2,0,0,0,0|0,0,2]=4 1759 B9R0.46 CCC(C)\C=C\C=C\C=O Amb27754102 [0,2,0,0,0,0|0,0,2]=4 1760 B9R0.46 CCCCC\C=C(\F)CO Amb27406000 [0,2,0,0,0,0|0,0,2]=4 1761 B9R0.46 CCCC\C=C\C(O)C#N Amb28455022 [0,2,0,0,0,0|0,0,2]=4 1762 B9R0.46 CCCC\C=C\[C@@H](O)C#N Amb27972574 [0,2,0,0,0,0|0,0,2]=4 1763 B9R0.46 CCCC\C=C\[C@H](O)CCl Amb27617086 [0,2,0,0,0,0|0,0,2]=4 1764 B9R0.46 CCCNC\C=C(\C)CO Amb18644033 [0,2,0,0,0,0|0,0,2]=4 1765 B9R0.46 CCC\C=C\CC(=O)CC Amb26948943 [0,2,0,0,0,0|1,0,1]=4 1766 B9R0.46 CCC\C=C\CC(N)CO Amb26848586 [0,2,0,0,0,0|0,0,2]=4 1767 B9R0.46 CCC\C=C\CC(O)CN Amb33422858 [0,2,0,0,0,0|0,0,2]=4 1768 B9R0.46 CCC\C=C\C[C@@H](O)CO Amb27484703 [0,2,0,0,0,0|0,0,2]=4 1769 B9R0.46 CCNC\C=C\C(C)OC Amb28133976 [0,2,0,0,0,0|1,0,1]=4 1770 B9R0.46 CC[C@@H](C)\C=C\C=C\CO Amb27588775 [0,2,0,0,0,0|0,0,0]=2 1771 B9R0.46 CC[C@H](C)CC\C=C\CO Amb27410556 [0,2,0,0,0,0|0,0,2]=4 1772 B9R0.46 CC[C@H](C)\C=C\C=C\C=O Amb27393613 [0,2,0,0,0,0|0,0,2]=4 1773 B9R0.46 CC\C=C/C=C/C(=O)CBr Amb27876471 [0,2,0,0,0,0|1,0,0]=3 1774 B9R0.46 CC\C=C/CCC(=O)CC Amb27192561 [0,2,0,0,0,0|1,0,1]=4 1775 B9R0.46 CC\C=C\C=C\C(O)C#N Amb27471650 [0,2,0,0,0,0|0,0,0]=2 1776 B9R0.46 CC\C=C\C=C\C(O)CCl Amb28286156 [0,2,0,0,0,0|0,0,0]=2 1777 B9R0.46 CC\C=C\C=C\[C@H](O)C#N Amb27980535 [0,2,0,0,0,0|0,0,0]=2 1778 B9R0.46 CC\C=C\C=C\[C@H](O)CCl Amb27265863 [0,2,0,0,0,0|0,0,0]=2 1779 B9R0.46 CC\C=C\CCC(=O)CC Amb28198289 [0,2,0,0,0,0|1,0,1]=4 1780 B9R0.46 CC\C=C\CNC(=O)CBr Amb27422866 [0,2,0,0,0,0|1,0,1]=4 1781 B9R0.46 CC\C=C\CNC(=O)CS Amb27874552 [0,2,0,0,0,0|0,1,1]=4 1782 B9R0.46 CC\C=C\CNC(C)CO Amb28200613 [0,2,0,0,0,0|0,0,2]=4 1783 B9R0.46 CC\C=C\COC(=O)CC Amb27150578 [0,2,0,0,0,0|1,0,1]=4 1784 B9R0.46 CC\C=C\COC(=O)CO Amb27479358 [0,2,0,0,0,0|0,0,1]=3 1785 B9R0.46 CC\C=C\C\C=C(/C)CO Amb27839246 [0,2,0,0,0,0|0,0,0]=2 1786 B9R0.46 CC\C=C\OCC(O)CO Amb28070548 [0,2,0,0,0,0|0,0,2]=4 1787 B9R0.46 COC(=O)C\C=C\CCO Amb28292442 [0,2,0,0,0,0|1,0,1]=4 1788 B9R0.46 COC(=O)\C=C\C#CCO Amb27852440 [0,2,0,0,0,0|1,0,1]=4 1789 B9R0.46 COC(=O)\C=C\C=C\CBr Amb27801010 [0,2,0,0,0,0|1,0,1]=4 1790 B9R0.46 COC(=O)\C=C\C=C\CCl Amb27204912 [0,2,0,0,0,0|1,0,1]=4 1791 B9R0.46 COC\C=C\NC(=O)CCl Amb27202801 [0,2,0,0,0,0|2,0,0]=4 1792 B9R0.46 C\C(=C/C=C/C=C/Cl)CO Amb27432930 [0,2,0,0,0,0|0,0,2]=4 1793 B9R0.46 C\C=C(\C)CC\C=C\CO Amb28347526 [0,2,0,0,0,0|0,0,2]=4 1794 B9R0.46 C\C=C\C=C\C=C(/C)CO Amb27452066 [0,2,0,0,0,0|0,0,1]=3 1795 B9R0.46 C\N=C(\N)N\C=C\C=N\O Amb27592483 [0,2,0,0,0,0|2,0,0]=4 1796 B9R0.46 O=C(CBr)OC\C=C\CO Amb28285618 [0,2,0,0,0,0|1,0,1]=4 1797 B9R0.46 OC\C=C\C=C\C(O)CO Amb27969508 [0,2,0,0,0,0|0,0,0]=2 1798 B9R0.1 CC(=O)\C=C\C=C(/C)CBr Amb28057200 [0,2,0,0,0,0|1,0,1]=4 1799 B9R0.1 CC(C)=CC\C=C(/C)CO Amb27480674 [0,2,0,0,0,0|0,0,2]=4 1800 B9R0.1 CC(C)=C\C=C\C(C)CO Amb27588854 [0,2,0,0,0,0|0,0,2]=4 1801 B9R0.1 CC(C)C=C=C[C@@H](C)CO Amb27826387 [0,2,0,0,0,0|0,0,2]=4 1802 B9R0.1 CCC(=O)O\C=C\C(C)O Amb28289046 [0,2,0,0,0,0|1,0,0]=3 1803 B9R0.1 CCC(=O)O\C=C\[C@@H](C)O Amb28292187 [0,2,0,0,0,0|1,0,0]=3 1804 B9R0.1 CCC(=O)\C=C\C=C(C)C Amb25735248 [0,2,0,0,0,0|1,0,1]=4 1805 B9R0.1 COC(=O)C\C=C\C(C)O Amb27756374 [0,2,0,0,0,0|1,0,1]=4 1806 B9R0.1 COC(=O)C\C=C\[C@@H](C)O Amb28321357 [0,2,0,0,0,0|1,0,1]=4 1807 B9R0.1 C\C(=C/C=C/C(C)O)CBr Amb27392956 [0,2,0,0,0,0|1,0,0]=3 1808 B9R0.1 C\C(=C\C=C\C(=O)O)CO Amb27975896 [0,2,0,0,0,0|1,0,1]=4 1809 B9R0.20 CCC\C=C\C(C)(C)CO Amb28138688 [0,2,0,0,0,0|0,0,2]=4 1810 B9R0.20 CCC\C=C\C(C)(N)CO Amb33424823 [0,2,0,0,0,0|0,0,2]=4 1811 B9R0.20 CCC\C=C\C(F)(F)CO Amb32745549 [0,2,0,0,0,0|0,0,2]=4 1812 B9R0.20 CC\C=C\CC(C)(C)CO Amb33267525 [0,2,0,0,0,0|0,0,2]=4 1813 B9R0.20 CC\C=C\CC(C)(N)CO Amb33267570 [0,2,0,0,0,0|0,0,2]=4 1814 B9R0.24 CCC(=O)CNC(=O)CO Amb27448700 [0,2,0,0,0,0|1,0,1]=4 1815 B9R0.24 CC[C@H](C)\C=C\[C@@H](O)CO Amb28050738 [0,2,0,0,0,0|0,0,2]=4 1816 B9R0.24 COC(=O)C=C=C(C)CO Amb28281347 [0,2,0,0,0,0|1,0,1]=4 1817 B9R0.24 COC(=O)C\C=C(\C)CO Amb28050664 [0,2,0,0,0,0|1,0,1]=4 1818 B9R0.24 COC(=O)\C=C\C(=O)CBr Amb26539741 [0,2,0,0,0,0|2,0,0]=4 1819 B9R0.24 COC(=O)\C=C\C(C)CO Amb28454593 [0,2,0,0,0,0|1,0,1]=4 1820 B9R0.24 COC(=O)\C=C\[C@@H](Br)CO Amb28050001 [0,2,0,0,0,0|1,0,1]=4 1821 B9R0.24 COC(=O)\C=C\[C@@H](O)CO Amb27775775 [0,2,0,0,0,0|1,0,1]=4 1822 B9R0.24 C\C=C(C)\C=C\C(=O)CC Amb27204819 [0,2,0,0,0,0|1,0,1]=4 1823 B9R0.24 O=C(\C=C\C(=O)CCl)CCl Amb27232962 [0,2,0,0,0,0|2,0,0]=4 1824 B9R0.24 O=C(\C=C\C(O)CO)CO Amb26531357 [0,2,0,0,0,0|1,0,1]=4 1825 B9R0.47 C=C(\C=C\CCC)C(=O)O Amb33424829 [0,2,0,0,0,0|0,0,2]=4 1826 B9R0.47 CC(C)C(=O)C=C=CCO Amb27973053 [0,2,0,0,0,0|0,0,1]=3 1827 B9R0.47 CC(C)C(=O)O\C=C\CCl Amb28062793 [0,2,0,0,0,0|2,0,0]=4 1828 B9R0.47 CC(C)C(N)C\C=C\CO Amb27838023 [0,2,0,0,0,0|0,0,2]=4 1829 B9R0.47 CC(O)C(C)C\C=C\CO Amb28050669 [0,2,0,0,0,0|0,0,2]=4 1830 B9R0.47 CC(O)C(O)C\C=C\CO Amb27807724 [0,2,0,0,0,0|0,0,2]=4 1831 B9R0.47 CCC\C=C\C(=O)C(C)N Amb33327185 [0,2,0,0,0,0|1,0,1]=4 1832 B9R0.47 CCC\C=C\C(=O)C(F)F Amb32745563 [0,2,0,0,0,0|1,0,1]=4 1833 B9R0.47 CCN\C=C\C(=O)C(C)C Amb26967429 [0,2,0,0,0,0|2,0,0]=4 1834 B9R0.47 CCO\C=C\C(=O)C(C)C Amb33291260 [0,2,0,0,0,0|2,0,0]=4 1835 B9R0.47 CCO\C=C\C(=O)C(F)F Amb24269177 [0,2,0,0,0,0|2,0,0]=4 1836 B9R0.47 CCS\C=C\C(=O)C(C)C Amb25268200 [0,2,0,0,0,0|2,0,0]=4 1837 B9R0.47 CC\C=C\C=C(/C)C(=O)O Amb27191513 [0,2,0,0,0,0|0,0,1]=3 1838 B9R0.47 CC\C=C\CC(=O)C(=O)O Amb33268699 [0,2,0,0,0,0|0,0,2]=4 1839 B9R0.47 C[C@@H](O)[C@@H](O)C\C=C\CO Amb27650524 [0,2,0,0,0,0|0,0,2]=4 1840 B9R0.47 C\C(=C/C=C/CO)C(=O)O Amb27600926 [0,2,0,0,0,0|1,0,1]=4 1841 B9R0.47 C\C(=C/CCCO)C(C)C Amb28065297 [0,2,0,0,0,0|0,0,2]=4 1842 B9R0.47 C\C=C\C=C\C(=O)C(Cl)Cl Amb27975400 [0,2,0,0,0,0|1,0,1]=4 1843 B9R0.47 C\C=C\C=C\C(O)C(C)O Amb27190820 [0,2,0,0,0,0|0,0,2]=4 1844 B9R0.50 CCC(C=C=CCO)CC Amb27836021 [0,2,0,0,0,0|0,0,2]=4 1845 B9R0.50 CCC(CC)O\C=C\CO Amb27790246 [0,2,0,0,0,0|1,0,1]=4 1846 B9R0.50 CCC(CC)S\C=C\CO Amb27980693 [0,2,0,0,0,0|1,0,1]=4 1847 B9R0.50 CCC(\C=C\CCO)CO Amb27220507 [0,2,0,0,0,0|0,0,2]=4 1848 B9R0.50 CCC\C=C\C(CN)CO Amb33424868 [0,2,0,0,0,0|0,0,2]=4 1849 B9R0.50 CCN(CC)C\C=C\CO Amb27664167 [0,2,0,0,0,0|1,0,1]=4 1850 B9R0.50 CC\C(C=O)=C\SCCO Amb27268556 [0,2,0,0,0,0|1,0,1]=4 1851 B9R0.38 CC(C)(C)C#C\C=C\CO Amb24089166 [0,2,0,0,0,0|0,0,2]=4 1852 B9R0.38 CC(C)(C)C=C=CCCO Amb17593550 [0,2,0,0,0,0|0,0,2]=4 1853 B9R0.38 CC(C)(C)CO\C=C\CO Amb28207145 [0,2,0,0,0,0|1,0,1]=4 1854 B9R0.38 CC(C)(C)OC\C=C\CO Amb27480074 [0,2,0,0,0,0|1,0,1]=4 1855 B9R0.38 CC(C)(C)O\C=C\CCO Amb27775452 [0,2,0,0,0,0|1,0,1]=4 1856 B9R0.38 CC(C)(C)SC\C=C\CO Amb28050741 [0,2,0,0,0,0|1,0,1]=4 1857 B9R0.38 CC(C)(C)\C=C\C#CCO Amb27652961 [0,2,0,0,0,0|0,0,2]=4 1858 B9R0.38 CC(C)(C)\C=C\C=C\CBr Amb27250681 [0,2,0,0,0,0|1,0,0]=3 1859 B9R0.38 CC(C)(C)\C=C\C=C\CO Amb27164465 [0,2,0,0,0,0|0,0,0]=2 1860 B9R0.38 CC(C)(O)CC\C=C\CO Amb27839190 [0,2,0,0,0,0|0,0,2]=4 1861 B9R0.38 CCC\C=C\CC(C)(C)O Amb33327140 [0,2,0,0,0,0|0,0,2]=4 1862 B9R0.38 CC\C=C\CCC(C)(C)O Amb25685694 [0,2,0,0,0,0|0,0,2]=4 1863 B9R0.55 CC(=O)\C=C\C=C\C(=O)O Amb27205327 [0,2,0,0,0,0|0,0,2]=4 1864 B9R0.55 CC(=O)\C=C\C=C\C(C)C Amb27615126 [0,2,0,0,0,0|0,0,2]=4 1865 B9R0.55 CC(C)=CC\C=C\[C@H](C)O Amb27197150 [0,2,0,0,0,0|0,0,2]=4 1866 B9R0.55 CC(C)C\C=C\CC(C)O Amb27968433 [0,2,0,0,0,0|0,0,2]=4 1867 B9R0.55 CC(C)\C=C\C=C\C(=O)O Amb25367977 [0,2,0,0,0,0|0,0,1]=3 1868 B9R0.55 CC(C)\C=C\C=C\C(N)=O Amb28435289 [0,2,0,0,0,0|0,0,2]=4 1869 B9R0.55 C\C(O)=C\C=C\C=C(/C)O Amb26446577 [0,2,0,0,0,0|0,0,2]=4 1870 B7R1.1 BrCC1=CCCC1 Amb23439168 [1,0,0,1,0,0|1,0,1]=4 1871 B7R1.1 BrCC1C=CCC1 Amb28385457 [1,0,0,1,0,0|1,0,1]=4 1872 B7R1.1 BrC[C@@H]1C=CCC1 Amb27233396 [1,0,0,1,0,0|1,0,1]=4 1873 B7R1.1 BrCc1cccs1 Amb10602501 [1,0,0,1,0,0|1,1,0]=4 1874 B7R1.1 BrCc1ccno1 Amb19338117 [1,0,0,1,0,0|2,0,0]=4 1875 B7R1.1 C#Cc1ccco1 Amb24178904 [1,0,0,1,0,0|0,0,2]=4 1876 B7R1.1 C=Cc1ccco1 Amb22295842 [1,0,0,1,0,0|0,0,2]=4 1877 B7R1.1 CC=C1CCCC1 Amb4035880 [1,0,0,1,0,0|0,0,2]=4 1878 B7R1.1 CCC1=CCCC1 Amb4035875 [1,0,0,1,0,0|0,0,2]=4 1879 B7R1.1 CCC1=NCCO1 Amb8513557 [1,0,0,1,0,0|1,0,1]=4 1880 B7R1.1 CCC1C=CC=C1 Amb2227637 [1,0,0,1,0,0|0,0,2]=4 1881 B7R1.1 CCC1C=CCC1 Amb4020582 [1,0,0,1,0,0|0,0,2]=4 1882 B7R1.1 CCC1C=CCN1 Amb10608188 [1,0,0,1,0,0|1,0,1]=4 1883 B7R1.1 CCC1C=CCN1 Amb22587170 [1,0,0,1,0,0|1,0,1]=4 1884 B7R1.1 CCC1CC=CC1 Amb30033009 [1,0,0,1,0,0|0,0,2]=4 1885 B7R1.1 CC[c-]1cccc1 Amb34916048 [1,0,0,1,0,0|0,0,2]=4 1886 B7R1.1 CCc1ccco1 Amb8393153 [1,0,0,1,0,0|0,0,0]=2 1887 B7R1.1 CCc1cccs1 Amb2687955 [1,0,0,1,0,0|0,1,0]=3 1888 B7R1.1 CCc1ccoc1 Amb28059964 [1,0,0,1,0,0|1,0,1]=4 1889 B7R1.1 CCc1ccsc1 Amb2687956 [1,0,0,1,0,0|1,0,1]=4 1890 B7R1.1 CCc1cnco1 Amb22490969 [1,0,0,1,0,0|1,0,0]=3 1891 B7R1.1 CCc1cncs1 Amb25663104 [1,0,0,1,0,0|1,1,0]=4 1892 B7R1.1 CCc1cocn1 Amb25073231 [1,0,0,1,0,0|2,0,0]=4 1893 B7R1.1 CCc1cscn1 Amb13884091 [1,0,0,1,0,0|2,0,0]=4 1894 B7R1.1 CCc1ncco1 Amb17399786 [1,0,0,1,0,0|1,0,0]=3 1895 B7R1.1 CCc1nccs1 Amb10601013 [1,0,0,1,0,0|1,1,0]=4 1896 B7R1.1 CCc1nnco1 Amb2208686 [1,0,0,1,0,0|2,0,0]=4 1897 B7R1.1 CCn1cccc1 Amb2687940 [1,0,0,1,0,0|1,0,1]=4 1898 B7R1.1 CCn1cccn1 Amb1934294 [1,0,0,1,0,0|2,0,0]=4 1899 B7R1.1 CNc1cnco1 Amb22490689 [1,0,0,1,0,0|2,0,0]=4 1900 B7R1.1 CNc1cnco1 Amb25932132 [1,0,0,1,0,0|2,0,0]=4 1901 B7R1.1 CNc1ncco1 Amb21856873 [1,0,0,1,0,0|2,0,0]=4 1902 B7R1.1 COC1=NCC=C1 Amb27877548 [1,0,0,1,0,0|2,0,0]=4 1903 B7R1.1 COC1C=CCC1 Amb4016570 [1,0,0,1,0,0|1,0,1]=4 1904 B7R1.1 COc1ccco1 Amb8513561 [1,0,0,1,0,0|1,0,0]=3 1905 B7R1.1 COc1cccs1 Amb2689282 [1,0,0,1,0,0|1,1,0]=4 1906 B7R1.1 COc1ccno1 Amb27591646 [1,0,0,1,0,0|2,0,0]=4 1907 B7R1.1 CSc1ccco1 Amb21961438 [1,0,0,1,0,0|1,0,0]=3 1908 B7R1.1 CSc1cccs1 Amb2724421 [1,0,0,1,0,0|1,1,0]=4 1909 B7R1.1 CSc1ccno1 Amb27781087 [1,0,0,1,0,0|2,0,0]=4 1910 B7R1.1 CSc1ncco1 Amb21961333 [1,0,0,1,0,0|2,0,0]=4 1911 B7R1.1 C[SiH2]c1ccco1 Amb28368539 [1,0,0,1,0,0|0,1,0]=3 1912 B7R1.1 C\C=C1/CCNC1 Amb31161498 [1,0,0,1,0,0|1,0,1]=4 1913 B7R1.1 C\C=C1/CCNC1 Amb33611505 [1,0,0,1,0,0|1,0,1]=4 1914 B7R1.1 ClCc1cccs1 Amb6717230 [1,0,0,1,0,0|1,1,0]=4 1915 B7R1.1 ClCc1ccno1 Amb1090466 [1,0,0,1,0,0|2,0,0]=4 1916 B7R1.1 ClCc1cnco1 Amb21520456 [1,0,0,1,0,0|2,0,0]=4 1917 B7R1.1 ClCc1cnco1 Amb33624970 [1,0,0,1,0,0|2,0,0]=4 1918 B7R1.1 ClCc1ncco1 Amb10602092 [1,0,0,1,0,0|2,0,0]=4 1919 B7R1.1 FCc1cccs1 Amb26568225 [1,0,0,1,0,0|1,1,0]=4 1920 B7R1.1 ICC1=CCCC1 Amb27838217 [1,0,0,1,0,0|1,0,1]=4 1921 B7R1.1 N#Cc1ccco1 Amb1694826 [1,0,0,1,0,0|1,0,1]=4 1922 B7R1.1 NCC1=CCCC1 Amb18120760 [1,0,0,1,0,0|1,0,1]=4 1923 B7R1.1 NCC1C=CCC1 Amb18119742 [1,0,0,1,0,0|1,0,1]=4 1924 B7R1.1 NCC1C=CCC1 Amb30584689 [1,0,0,1,0,0|1,0,1]=4 1925 B7R1.1 NCc1ccco1 Amb2720356 [1,0,0,1,0,0|1,0,0]=3 1926 B7R1.1 NCc1ccco1 Amb29847168 [1,0,0,1,0,0|1,0,0]=3 1927 B7R1.1 NCc1cccs1 Amb20622043 [1,0,0,1,0,0|1,1,0]=4 1928 B7R1.1 NCc1cccs1 Amb2720340 [1,0,0,1,0,0|1,1,0]=4 1929 B7R1.1 NCc1ccno1 Amb10604134 [1,0,0,1,0,0|2,0,0]=4 1930 B7R1.1 NCc1ccno1 Amb8009402 [1,0,0,1,0,0|2,0,0]=4 1931 B7R1.1 NCc1cnco1 Amb10604053 [1,0,0,1,0,0|2,0,0]=4 1932 B7R1.1 NCc1cnco1 Amb23400902 [1,0,0,1,0,0|2,0,0]=4 1933 B7R1.1 NCc1cnco1 Amb8009401 [1,0,0,1,0,0|2,0,0]=4 1934 B7R1.1 NCc1ncco1 Amb19929809 [1,0,0,1,0,0|2,0,0]=4 1935 B7R1.1 NCc1ncco1 Amb8009700 [1,0,0,1,0,0|2,0,0]=4 1936 B7R1.1 NNc1ccco1 Amb18203069 [1,0,0,1,0,0|2,0,0]=4 1937 B7R1.1 O=CC1=CC=CC1 Amb25799627 [1,0,0,1,0,0|0,0,2]=4 1938 B7R1.1 O=CC1=CCCC1 Amb17138358 [1,0,0,1,0,0|0,0,2]=4 1939 B7R1.1 O=CC1=CCCO1 Amb18120782 [1,0,0,1,0,0|1,0,1]=4 1940 B7R1.1 O=CC1=COCC1 Amb18120774 [1,0,0,1,0,0|1,0,1]=4 1941 B7R1.1 O=CC1C=CCC1 Amb27229924 [1,0,0,1,0,0|0,0,2]=4 1942 B7R1.1 O=Cc1ccco1 Amb2720358 [1,0,0,1,0,0|1,0,1]=4 1943 B7R1.1 O=Cc1ccno1 Amb33546951 [1,0,0,1,0,0|2,0,0]=4 1944 B7R1.1 OCC1=CC=CC1 Amb27457780 [1,0,0,1,0,0|0,0,0]=2 1945 B7R1.1 OCC1=CCCC1 Amb24479891 [1,0,0,1,0,0|0,0,1]=3 1946 B7R1.1 OCC1=CCSC1 Amb35606324 [1,0,0,1,0,0|1,0,1]=4 1947 B7R1.1 OCC1=COCC1 Amb27827039 [1,0,0,1,0,0|1,0,0]=3 1948 B7R1.1 OCC1=CSCC1 Amb28345026 [1,0,0,1,0,0|1,0,0]=3 1949 B7R1.1 OCC1=NOCC1 Amb35746891 [1,0,0,1,0,0|2,0,0]=4 1950 B7R1.1 OCC1C=CCC1 Amb23455253 [1,0,0,1,0,0|0,0,1]=3 1951 B7R1.1 OCC1C=CCN1 Amb15701263 [1,0,0,1,0,0|1,0,1]=4 1952 B7R1.1 OCC1C=CCN1 Amb32412123 [1,0,0,1,0,0|1,0,1]=4 1953 B7R1.1 OCC1CC=CC1 Amb2695403 [1,0,0,1,0,0|0,0,2]=4 1954 B7R1.1 OC[C@@H]1C=CCS1 Amb27594771 [1,0,0,1,0,0|1,0,1]=4 1955 B7R1.1 OCc1ccco1 Amb837335 [1,0,0,1,0,0|1,0,0]=3 1956 B7R1.1 OCc1cccs1 Amb837506 [1,0,0,1,0,0|1,0,0]=3 1957 B7R1.1 OCc1ccno1 Amb33531764 [1,0,0,1,0,0|2,0,0]=4 1958 B7R1.1 OCc1ccns1 Amb16185717 [1,0,0,1,0,0|2,0,0]=4 1959 B7R1.1 OCc1ccoc1 Amb837377 [1,0,0,1,0,0|1,0,1]=4 1960 B7R1.1 OCc1ccon1 Amb19515377 [1,0,0,1,0,0|2,0,0]=4 1961 B7R1.1 OCc1ccsc1 Amb837384 [1,0,0,1,0,0|1,0,1]=4 1962 B7R1.1 OCc1ccsn1 Amb22896461 [1,0,0,1,0,0|2,0,0]=4 1963 B7R1.1 OCc1cnco1 Amb10070754 [1,0,0,1,0,0|2,0,0]=4 1964 B7R1.1 OCc1cncs1 Amb2455733 [1,0,0,1,0,0|2,0,0]=4 1965 B7R1.1 OCc1cocn1 Amb10071193 [1,0,0,1,0,0|2,0,0]=4 1966 B7R1.1 OCc1cscn1 Amb32652998 [1,0,0,1,0,0|2,0,0]=4 1967 B7R1.1 OCc1cscn1 Amb33531860 [1,0,0,1,0,0|2,0,0]=4 1968 B7R1.1 OCc1ncco1 Amb10071191 [1,0,0,1,0,0|2,0,0]=4 1969 B7R1.1 OCc1nccs1 Amb2723142 [1,0,0,1,0,0|2,0,0]=4 1970 B7R1.1 OCn1cccc1 Amb28400396 [1,0,0,1,0,0|1,0,1]=4 1971 B7R1.1 OCn1cccn1 Amb10552412 [1,0,0,1,0,0|2,0,0]=4 1972 B7R1.1 ONc1ccco1 Amb27209570 [1,0,0,1,0,0|2,0,0]=4 1973 B7R1.1 O\N=C1/C=CCC1 Amb27838262 [1,0,0,1,0,0|1,0,0]=3 1974 B7R1.1 S=Cc1ccco1 Amb28368735 [1,0,0,1,0,0|1,0,1]=4 1975 B7R1.1 SCc1ccco1 Amb2688612 [1,0,0,1,0,0|1,0,0]=3 1976 B7R1.1 SCc1cccs1 Amb3428574 [1,0,0,1,0,0|1,1,0]=4 1977 B7R1.1 SCc1cnco1 Amb32788503 [1,0,0,1,0,0|2,0,0]=4 1978 B7R1.1 [C-]#[N+]c1ccco1 Amb27962733 [1,0,0,1,0,0|1,0,1]=4 1979 B7R1.3 BrC1C=CCCC1 Amb2720845 [1,0,0,1,0,0|1,0,1]=4 1980 B7R1.3 BrC1CC=CCC1 Amb22229671 [1,0,0,1,0,0|1,0,1]=4 1981 B7R1.3 Br[C@H]1C=CCCC1 Amb27442441 [1,0,0,1,0,0|1,0,1]=4 1982 B7R1.3 CC1=CCCCC1 Amb8513524 [1,0,0,1,0,0|0,0,2]=4 1983 B7R1.3 CC1=CCCCO1 Amb24480530 [1,0,0,1,0,0|0,0,2]=4 1984 B7R1.3 CC1=CCNCC1 Amb18639053 [1,0,0,1,0,0|1,0,1]=4 1985 B7R1.3 CC1=CCNCC1 Amb21961140 [1,0,0,1,0,0|1,0,1]=4 1986 B7R1.3 CC1=CCOCC1 Amb24070517 [1,0,0,1,0,0|1,0,1]=4 1987 B7R1.3 CC1C=CC=CN1 Amb27843995 [1,0,0,1,0,0|1,0,0]=3 1988 B7R1.3 CC1C=CCCC1 Amb8515346 [1,0,0,1,0,0|0,0,2]=4 1989 B7R1.3 CC1C=CCCN1 Amb27461298 [1,0,0,1,0,0|1,0,1]=4 1990 B7R1.3 CC1C=CCCO1 Amb33715160 [1,0,0,1,0,0|0,0,1]=3 1991 B7R1.3 CC1C=CCNC1 Amb27170704 [1,0,0,1,0,0|1,0,1]=4 1992 B7R1.3 CC1C=COCC1 Amb27985265 [1,0,0,1,0,0|1,0,1]=4 1993 B7R1.3 CC1CC=CCN1 Amb27460532 [1,0,0,1,0,0|1,0,1]=4 1994 B7R1.3 CN1CC=CCC1 Amb22734271 [1,0,0,1,0,0|1,0,1]=4 1995 B7R1.3 C[n+]1ccccc1 Amb1394991 [1,0,0,1,0,0|1,0,1]=4 1996 B7R1.3 C[n+]1ccccc1 Amb431211 [1,0,0,1,0,0|1,0,1]=4 1997 B7R1.3 Cc1ccccn1 Amb2447016 [1,0,0,1,0,0|1,0,1]=4 1998 B7R1.3 Cc1ccccn1 Amb33872315 [1,0,0,1,0,0|1,0,1]=4 1999 B7R1.3 Cc1cccnc1 Amb2447038 [1,0,0,1,0,0|1,0,1]=4 2000 B7R1.3 Cc1cccnn1 Amb2455766 [1,0,0,1,0,0|2,0,0]=4 2001 B7R1.3 ClC1C=CCCC1 Amb22229267 [1,0,0,1,0,0|1,0,1]=4 2002 B7R1.3 ClC1CC=CCC1 Amb22229749 [1,0,0,1,0,0|1,0,1]=4 2003 B7R1.3 FC1C=CCCC1 Amb27164038 [1,0,0,1,0,0|1,0,1]=4 2004 B7R1.3 IC1CC=CCC1 Amb27446684 [1,0,0,1,0,0|1,0,1]=4 2005 B7R1.3 NC1=CC=CCN1 Amb27391599 [1,0,0,1,0,0|2,0,0]=4 2006 B7R1.3 NC1=CC=CCO1 Amb22167473 [1,0,0,1,0,0|1,0,0]=3 2007 B7R1.3 NC1C=CCCC1 Amb20668839 [1,0,0,1,0,0|1,0,1]=4 2008 B7R1.3 NC1C=CCCC1 Amb23385297 [1,0,0,1,0,0|1,0,1]=4 2009 B7R1.3 NC1CC=CCC1 Amb18639038 [1,0,0,1,0,0|1,0,1]=4 2010 B7R1.3 NC1CC=CCC1 Amb19515491 [1,0,0,1,0,0|1,0,1]=4 2011 B7R1.3 N[C@@H]1C=CCCC1 Amb24640515 [1,0,0,1,0,0|1,0,1]=4 2012 B7R1.3 N[C@@H]1CC=CCC1 Amb27975676 [1,0,0,1,0,0|1,0,1]=4 2013 B7R1.3 N[C@H]1CC=CCC1 Amb26609127 [1,0,0,1,0,0|1,0,1]=4 2014 B7R1.3 O=C1C=CC=CO1 Amb21951679 [1,0,0,1,0,0|1,0,1]=4 2015 B7R1.3 O=C1C=CCCC1 Amb17843126 [1,0,0,1,0,0|0,0,2]=4 2016 B7R1.3 O=C1C=CCCO1 Amb15693457 [1,0,0,1,0,0|1,0,1]=4 2017 B7R1.3 O=C1C=CNCC1 Amb2700614 [1,0,0,1,0,0|1,0,1]=4 2018 B7R1.3 O=C1C=COCC1 Amb22000873 [1,0,0,1,0,0|1,0,1]=4 2019 B7R1.3 O=C1C=CSCC1 Amb25375022 [1,0,0,1,0,0|1,0,1]=4 2020 B7R1.3 O=C1CCC=CN1 Amb26365285 [1,0,0,1,0,0|1,0,1]=4 2021 B7R1.3 OC1=CN=NCC1 Amb22756935 [1,0,0,1,0,0|2,0,0]=4 2022 B7R1.3 OC1C=CCCC1 Amb4605824 [1,0,0,1,0,0|0,0,1]=3 2023 B7R1.3 OC1C=CCNC1 Amb24426687 [1,0,0,1,0,0|1,0,1]=4 2024 B7R1.3 OC1C=CCNC1 Amb31291592 [1,0,0,1,0,0|1,0,1]=4 2025 B7R1.3 OC1C=CCOC1 Amb25662556 [1,0,0,1,0,0|1,0,1]=4 2026 B7R1.3 OC1C=CCSC1 Amb25832664 [1,0,0,1,0,0|1,0,1]=4 2027 B7R1.3 O[C@H]1C=CCCC1 Amb10601567 [1,0,0,1,0,0|0,0,1]=3 2028 B7R1.3 O[C@H]1C=CCOC1 Amb8393976 [1,0,0,1,0,0|1,0,1]=4 2029 B7R1.3 Oc1ccccc1 Amb2793000 [1,0,0,1,0,0|0,0,2]=4 2030 B7R1.3 Oc1ccccc1 Amb34916329 [1,0,0,1,0,0|0,0,2]=4 2031 B7R1.3 Oc1ccccn1 Amb2609925 [1,0,0,1,0,0|1,0,1]=4 2032 B7R1.3 Oc1ccccn1 Amb33716976 [1,0,0,1,0,0|1,0,1]=4 2033 B7R1.3 Oc1cccnc1 Amb534212 [1,0,0,1,0,0|1,0,1]=4 2034 B7R1.3 Oc1cccnn1 Amb2610009 [1,0,0,1,0,0|2,0,0]=4 2035 B7R1.3 SC1CC=CCC1 Amb33318612 [1,0,0,1,0,0|0,1,1]=4 2036 B7R1.4 CC1=CCCC1C Amb24479857 [1,0,0,1,0,0|0,0,2]=4 2037 B7R1.4 CC1=CCCC1O Amb25220686 [1,0,0,1,0,0|0,0,2]=4 2038 B7R1.4 CC1=CCNC1C Amb27975662 [1,0,0,1,0,0|1,0,1]=4 2039 B7R1.4 CC1C=CCC1C Amb27454828 [1,0,0,1,0,0|0,0,2]=4 2040 B7R1.4 CC1C=CCC1O Amb28324626 [1,0,0,1,0,0|0,0,1]=3 2041 B7R1.4 CC1C=COC1=O Amb27862334 [1,0,0,1,0,0|1,0,1]=4 2042 B7R1.4 CC1NC=CC1=O Amb28201187 [1,0,0,1,0,0|1,0,1]=4 2043 B7R1.4 CC1OC=CC1=O Amb28053998 [1,0,0,1,0,0|1,0,1]=4 2044 B7R1.4 CN1SC=CC1O Amb27198022 [1,0,0,1,0,0|2,0,0]=4 2045 B7R1.4 C[C@@H]1C=CC[C@H]1C Amb25957944 [1,0,0,1,0,0|0,0,2]=4 2046 B7R1.4 C[C@@H]1C=CC[C@H]1O Amb27486253 [1,0,0,1,0,0|0,0,1]=3 2047 B7R1.4 Cc1cccn1C Amb2447020 [1,0,0,1,0,0|1,0,0]=3 2048 B7R1.4 Cc1ccnn1C Amb1945868 [1,0,0,1,0,0|2,0,0]=4 2049 B7R1.4 Cc1ccoc1C Amb8515826 [1,0,0,1,0,0|1,0,1]=4 2050 B7R1.4 Cc1ccoc1O Amb33343228 [1,0,0,1,0,0|1,0,1]=4 2051 B7R1.4 Cc1ccsc1C Amb2447413 [1,0,0,1,0,0|1,0,1]=4 2052 B7R1.4 Cc1ccsc1O Amb24639732 [1,0,0,1,0,0|1,0,1]=4 2053 B7R1.4 Cc1cncn1C Amb22044022 [1,0,0,1,0,0|2,0,0]=4 2054 B7R1.4 Cc1cocc1C Amb17613311 [1,0,0,1,0,0|1,0,1]=4 2055 B7R1.4 Cc1cscc1C Amb2782126 [1,0,0,1,0,0|1,0,1]=4 2056 B7R1.4 Cc1cscc1O Amb26458243 [1,0,0,1,0,0|1,0,1]=4 2057 B7R1.4 Cc1nccn1C Amb2455761 [1,0,0,1,0,0|2,0,0]=4 2058 B7R1.4 Cc1nccn1O Amb27210147 [1,0,0,1,0,0|2,0,0]=4 2059 B7R1.4 Cc1occc1O Amb25178728 [1,0,0,1,0,0|1,0,1]=4 2060 B7R1.4 Cc1sccc1O Amb26621113 [1,0,0,1,0,0|1,0,1]=4 2061 B7R1.4 Cn1cccc1Br Amb18199426 [1,0,0,1,0,0|2,0,0]=4 2062 B7R1.4 Cn1cccc1Cl Amb25212184 [1,0,0,1,0,0|2,0,0]=4 2063 B7R1.4 Cn1cccc1I Amb24756601 [1,0,0,1,0,0|2,0,0]=4 2064 B7R1.4 Cn1cccc1O Amb27652694 [1,0,0,1,0,0|1,0,0]=3 2065 B7R1.4 Cn1cccc1S Amb25888537 [1,0,0,1,0,0|1,1,0]=4 2066 B7R1.4 Cn1cncc1O Amb27436828 [1,0,0,1,0,0|2,0,0]=4 2067 B7R1.4 Cn1nccc1O Amb13883681 [1,0,0,1,0,0|2,0,0]=4 2068 B7R1.4 Cn1nccc1O Amb22233838 [1,0,0,1,0,0|2,0,0]=4 2069 B7R1.4 NC1C=CCC1O Amb18639380 [1,0,0,1,0,0|1,0,1]=4 2070 B7R1.4 O=C1C=CC=C1O Amb27835626 [1,0,0,1,0,0|1,0,1]=4 2071 B7R1.4 O=C1C=COC1O Amb27638452 [1,0,0,1,0,0|2,0,0]=4 2072 B7R1.4 O=C1OC=C[C@@H]1O Amb27472742 [1,0,0,1,0,0|2,0,0]=4 2073 B7R1.4 OC1C=CCC1O Amb17593080 [1,0,0,1,0,0|1,0,1]=4 2074 B7R1.4 O[C@@H]1C=CC[C@H]1O Amb28139433 [1,0,0,1,0,0|1,0,1]=4 2075 B7R1.4 O[C@H]1C=CC[C@H]1O Amb24622453 [1,0,0,1,0,0|1,0,1]=4 2076 B7R1.5 O=C1C=C1CCO Amb33330739 [1,0,0,1,0,0|1,0,1]=4 2077 B7R1.6 BrCC=C1CCC1 Amb25139355 [1,0,0,1,0,0|1,0,1]=4 2078 B7R1.6 CCC=C1CCC1 Amb28120199 [1,0,0,1,0,0|0,0,2]=4 2079 B7R1.6 CCC=C1CNC1 Amb28050055 [1,0,0,1,0,0|1,0,1]=4 2080 B7R1.6 O=CC=C1CCC1 Amb27827363 [1,0,0,1,0,0|0,0,2]=4 2081 B7R1.6 OCC=C1CCC1 Amb28346163 [1,0,0,1,0,0|0,0,1]=3 2082 B7R1.6 OCCC1=CCC1 Amb28189596 [1,0,0,1,0,0|0,0,1]=3 2083 B7R1.7 BrC\C=C\C1CO1 Amb26864708 [1,0,0,1,0,0|1,0,1]=4 2084 B7R1.7 CC\C=C\C1CO1 Amb33449783 [1,0,0,1,0,0|0,0,1]=3 2085 B7R1.7 CC\C=C\[C@@H]1CO1 Amb33272599 [1,0,0,1,0,0|0,0,1]=3 2086 B7R1.7 CC\C=C\[C@H]1CO1 Amb33272601 [1,0,0,1,0,0|0,0,1]=3 2087 B7R1.7 CO\C=C\C1CC1 Amb25367957 [1,0,0,1,0,0|1,0,1]=4 2088 B7R1.7 C\C=C\CC1CO1 Amb25285825 [1,0,0,1,0,0|0,0,2]=4 2089 B7R1.7 NC\C=C\C1CC1 Amb32661239 [1,0,0,1,0,0|1,0,1]=4 2090 B7R1.7 NC\C=C\C1CC1 Amb33538361 [1,0,0,1,0,0|1,0,1]=4 2091 B7R1.7 O=CCC=C1CC1 Amb27799822 [1,0,0,1,0,0|0,0,2]=4 2092 B7R1.7 O=C\C=C\C1CC1 Amb32664515 [1,0,0,1,0,0|0,0,2]=4 2093 B7R1.7 OC\C=C/C1CC1 Amb33483698 [1,0,0,1,0,0|0,0,1]=3 2094 B7R1.7 OC\C=C\C1CC1 Amb26963162 [1,0,0,1,0,0|0,0,1]=3 2095 B7R1.8 C\C=C1\CCC1O Amb27595035 [1,0,0,1,0,0|0,0,2]=4 2096 B7R1.9 CCC1=C(CO)C1 Amb28365928 [1,0,0,1,0,0|0,0,1]=3 2097 B7R1.24 C1=CC=CCC=C1 Amb6609003 [1,0,0,1,0,0|0,0,2]=4 2098 B7R1.24 C1=CCCC=CC1 Amb22365118 [1,0,0,1,0,0|0,0,2]=4 2099 B7R1.24 C1=CCCCC=C1 Amb22002708 [1,0,0,1,0,0|0,0,0]=2 2100 B7R1.24 C1=CCCCCC1 Amb8515344 [1,0,0,1,0,0|0,0,2]=4 2101 B7R1.24 C1=CCCNCC1 Amb22169408 [1,0,0,1,0,0|1,0,1]=4 2102 B7R1.24 C1=CCCNCC1 Amb24530335 [1,0,0,1,0,0|1,0,1]=4 2103 B7R1.24 C1=CCNCCC1 Amb25104535 [1,0,0,1,0,0|1,0,1]=4 2104 B7R1.24 C1=CCNCCC1 Amb33330391 [1,0,0,1,0,0|1,0,1]=4 2105 B7R1.24 C1=CCOCOC1 Amb6600543 [1,0,0,1,0,0|1,0,1]=4 2106 B7R1.24 C1=CNCCN=C1 Amb26896446 [1,0,0,1,0,0|2,0,0]=4 2107 B7R1.24 C1=COCCCC1 Amb28254269 [1,0,0,1,0,0|0,0,2]=4 2108 B9R1.2 CCC1=CC(=O)CCC1 Amb27599813 [0,1,0,1,0,0|1,0,1]=4 2109 B9R1.2 CCC1=CC(=O)CCN1 Amb27595544 [0,1,0,1,0,0|1,0,1]=4 2110 B9R1.2 CCC1=CC=CC(=S)N1 Amb35707039 [0,1,0,1,0,0|0,1,1]=4 2111 B9R1.2 CC[n+]1cccc(O)c1 Amb27437117 [0,1,0,1,0,0|1,0,1]=4 2112 B9R1.2 CC[n+]1cccc(O)c1 Amb28555590 [0,1,0,1,0,0|1,0,1]=4 2113 B9R1.2 CC[n+]1cccc(O)c1 Amb9793321 [0,1,0,1,0,0|1,0,1]=4 2114 B9R1.2 CCc1cc(Br)ccn1 Amb10599855 [0,1,0,1,0,0|1,0,1]=4 2115 B9R1.2 CCc1cc(Cl)ccn1 Amb10599875 [0,1,0,1,0,0|1,0,1]=4 2116 B9R1.2 CCc1cc(I)ccn1 Amb25876593 [0,1,0,1,0,0|1,0,1]=4 2117 B9R1.2 CCc1cc(N)ccn1 Amb10599877 [0,1,0,1,0,0|1,0,1]=4 2118 B9R1.2 CCc1cc(O)ccn1 Amb10599878 [0,1,0,1,0,0|1,0,1]=4 2119 B9R1.2 CCc1cc(S)ccn1 Amb24334345 [0,1,0,1,0,0|1,0,1]=4 2120 B9R1.2 CCc1ccc[n+]([O-])c1 Amb21963682 [0,1,0,1,0,0|1,0,1]=4 2121 B9R1.2 CCc1cccc(Br)c1 Amb2691840 [0,1,0,1,0,0|1,0,1]=4 2122 B9R1.2 CCc1cccc(Br)n1 Amb10599852 [0,1,0,1,0,0|1,0,1]=4 2123 B9R1.2 CCc1cccc(C)c1 Amb9787670 [0,1,0,1,0,0|1,0,1]=4 2124 B9R1.2 CCc1cccc(C)n1 Amb2722908 [0,1,0,1,0,0|1,0,1]=4 2125 B9R1.2 CCc1cccc(Cl)c1 Amb20620699 [0,1,0,1,0,0|1,0,1]=4 2126 B9R1.2 CCc1cccc(F)c1 Amb22235099 [0,1,0,1,0,0|1,0,1]=4 2127 B9R1.2 CCc1cccc(F)n1 Amb24319184 [0,1,0,1,0,0|1,0,1]=4 2128 B9R1.2 CCc1cccc(N)c1 Amb3939774 [0,1,0,1,0,0|1,0,1]=4 2129 B9R1.2 CCc1cccc(N)n1 Amb3428616 [0,1,0,1,0,0|1,0,1]=4 2130 B9R1.2 CCc1cccc(O)c1 Amb3938975 [0,1,0,1,0,0|0,0,1]=3 2131 B9R1.2 CCc1cccc(O)n1 Amb10599854 [0,1,0,1,0,0|0,0,1]=3 2132 B9R1.2 CCc1cccc(S)c1 Amb26627381 [0,1,0,1,0,0|0,1,1]=4 2133 B9R1.2 CCc1ccnc(O)c1 Amb10600168 [0,1,0,1,0,0|1,0,1]=4 2134 B9R1.2 CCc1ccnc(O)n1 Amb13884390 [0,1,0,1,0,0|1,0,1]=4 2135 B9R1.2 CCc1cncc(Br)c1 Amb16230979 [0,1,0,1,0,0|2,0,0]=4 2136 B9R1.2 CCc1cncc(Cl)c1 Amb24644636 [0,1,0,1,0,0|2,0,0]=4 2137 B9R1.2 CCc1cncc(N)c1 Amb18832981 [0,1,0,1,0,0|2,0,0]=4 2138 B9R1.2 CCc1cncc(O)c1 Amb20617462 [0,1,0,1,0,0|1,0,1]=4 2139 B9R1.2 CCc1cncc(O)n1 Amb10600312 [0,1,0,1,0,0|1,0,1]=4 2140 B9R1.2 CCc1cncc(S)c1 Amb33276294 [0,1,0,1,0,0|2,0,0]=4 2141 B9R1.2 CCc1nccc(O)n1 Amb10599362 [0,1,0,1,0,0|1,0,1]=4 2142 B9R1.2 CNc1cccc(O)c1 Amb18281003 [0,1,0,1,0,0|1,0,1]=4 2143 B9R1.2 CNc1cccc(O)n1 Amb18642182 [0,1,0,1,0,0|1,0,1]=4 2144 B9R1.2 COC1=CC(=O)C=CO1 Amb28245112 [0,1,0,1,0,0|1,0,1]=4 2145 B9R1.2 COc1cccc(O)c1 Amb3939549 [0,1,0,1,0,0|1,0,1]=4 2146 B9R1.2 CSc1cccc(O)c1 Amb8845207 [0,1,0,1,0,0|1,0,1]=4 2147 B9R1.2 C[n+]1cccc(CO)c1 Amb10573217 [0,1,0,1,0,0|1,0,0]=3 2148 B9R1.2 Cc1cc(CO)ccn1 Amb10067646 [0,1,0,1,0,0|1,0,1]=4 2149 B9R1.2 Cc1cccc(CBr)c1 Amb2601054 [0,1,0,1,0,0|1,0,1]=4 2150 B9R1.2 Cc1cccc(CBr)n1 Amb21857068 [0,1,0,1,0,0|1,0,1]=4 2151 B9R1.2 Cc1cccc(CBr)n1 Amb9769234 [0,1,0,1,0,0|1,0,1]=4 2152 B9R1.2 Cc1cccc(CCl)c1 Amb2792915 [0,1,0,1,0,0|1,0,1]=4 2153 B9R1.2 Cc1cccc(CCl)n1 Amb16234122 [0,1,0,1,0,0|1,0,1]=4 2154 B9R1.2 Cc1cccc(CCl)n1 Amb2592508 [0,1,0,1,0,0|1,0,1]=4 2155 B9R1.2 Cc1cccc(CF)c1 Amb22232791 [0,1,0,1,0,0|1,0,1]=4 2156 B9R1.2 Cc1cccc(CF)n1 Amb27590322 [0,1,0,1,0,0|1,0,1]=4 2157 B9R1.2 Cc1cccc(CN)c1 Amb1116222 [0,1,0,1,0,0|1,0,1]=4 2158 B9R1.2 Cc1cccc(CN)n1 Amb20669074 [0,1,0,1,0,0|1,0,1]=4 2159 B9R1.2 Cc1cccc(CN)n1 Amb21857709 [0,1,0,1,0,0|1,0,1]=4 2160 B9R1.2 Cc1cccc(CN)n1 Amb2592509 [0,1,0,1,0,0|1,0,1]=4 2161 B9R1.2 Cc1cccc(CO)c1 Amb837250 [0,1,0,1,0,0|0,0,1]=3 2162 B9R1.2 Cc1cccc(CO)n1 Amb24063802 [0,1,0,1,0,0|0,0,1]=3 2163 B9R1.2 Cc1cccc(CO)n1 Amb2725366 [0,1,0,1,0,0|0,0,1]=3 2164 B9R1.2 Cc1cccc(CS)c1 Amb2726200 [0,1,0,1,0,0|0,1,1]=4 2165 B9R1.2 Cc1cccc(CS)n1 Amb25140122 [0,1,0,1,0,0|0,1,1]=4 2166 B9R1.2 Cc1ccnc(CO)c1 Amb22495046 [0,1,0,1,0,0|1,0,1]=4 2167 B9R1.2 Cc1ccnc(CO)c1 Amb8386835 [0,1,0,1,0,0|1,0,1]=4 2168 B9R1.2 Cc1ccnc(CO)n1 Amb22276544 [0,1,0,1,0,0|1,0,1]=4 2169 B9R1.2 Cc1cncc(CO)c1 Amb16231977 [0,1,0,1,0,0|1,0,1]=4 2170 B9R1.2 Cc1cnnc(CO)c1 Amb24183285 [0,1,0,1,0,0|2,0,0]=4 2171 B9R1.2 Cc1nccc(CO)n1 Amb33540113 [0,1,0,1,0,0|1,0,1]=4 2172 B9R1.2 NCc1cccc(O)c1 Amb10609577 [0,1,0,1,0,0|1,0,1]=4 2173 B9R1.2 NCc1cccc(O)c1 Amb1133156 [0,1,0,1,0,0|1,0,1]=4 2174 B9R1.2 NCc1cccc(O)n1 Amb22059467 [0,1,0,1,0,0|1,0,1]=4 2175 B9R1.2 N[C@H]1C=CC[C@@H](CO)C1 Amb25290992 [0,1,0,1,0,0|0,0,2]=4 2176 B9R1.2 Nc1cccc(CO)c1 Amb2099649 [0,1,0,1,0,0|0,0,2]=4 2177 B9R1.2 Nc1cccc(CO)n1 Amb21857102 [0,1,0,1,0,0|1,0,1]=4 2178 B9R1.2 Nc1ccnc(CO)c1 Amb22899638 [0,1,0,1,0,0|1,0,1]=4 2179 B9R1.2 Nc1ccnc(CO)c1 Amb33544126 [0,1,0,1,0,0|1,0,1]=4 2180 B9R1.2 Nc1cncc(CO)c1 Amb24102573 [0,1,0,1,0,0|1,0,1]=4 2181 B9R1.2 Nc1cncc(CO)c1 Amb33172805 [0,1,0,1,0,0|1,0,1]=4 2182 B9R1.2 Nc1cncc(CO)c1 Amb8386489 [0,1,0,1,0,0|1,0,1]=4 2183 B9R1.2 O=C1C=C(CCl)CCC1 Amb27882739 [0,1,0,1,0,0|1,0,1]=4 2184 B9R1.2 O=C1C=C(CO)CCC1 Amb27843949 [0,1,0,1,0,0|0,0,1]=3 2185 B9R1.2 OCC1=CC(O)CCC1 Amb28315569 [0,1,0,1,0,0|0,0,2]=4 2186 B9R1.2 OCC1CC(O)C=CO1 Amb27185678 [0,1,0,1,0,0|1,0,1]=4 2187 B9R1.2 OC[C@@H]1CC=C[C@H](O)C1 Amb22756427 [0,1,0,1,0,0|0,0,2]=4 2188 B9R1.2 OC[C@@H]1C[C@@H](O)C=CO1 Amb27969105 [0,1,0,1,0,0|1,0,1]=4 2189 B9R1.2 OC[C@H]1CC=C[C@@H](O)C1 Amb28248697 [0,1,0,1,0,0|0,0,2]=4 2190 B9R1.2 OCc1cc(Br)ccn1 Amb8394822 [0,1,0,1,0,0|1,0,1]=4 2191 B9R1.2 OCc1cc(Cl)ccn1 Amb6565083 [0,1,0,1,0,0|1,0,1]=4 2192 B9R1.2 OCc1cc(Cl)ccn1 Amb8503386 [0,1,0,1,0,0|1,0,1]=4 2193 B9R1.2 OCc1cc(F)ccn1 Amb26599902 [0,1,0,1,0,0|1,0,1]=4 2194 B9R1.2 OCc1cc(I)ccn1 Amb24439513 [0,1,0,1,0,0|1,0,1]=4 2195 B9R1.2 OCc1cc(O)ccn1 Amb22292446 [0,1,0,1,0,0|1,0,1]=4 2196 B9R1.2 OCc1cccc(Br)c1 Amb3939091 [0,1,0,1,0,0|0,0,2]=4 2197 B9R1.2 OCc1cccc(Br)n1 Amb8386704 [0,1,0,1,0,0|1,0,1]=4 2198 B9R1.2 OCc1cccc(Cl)c1 Amb1232082 [0,1,0,1,0,0|0,0,2]=4 2199 B9R1.2 OCc1cccc(Cl)n1 Amb6308086 [0,1,0,1,0,0|1,0,1]=4 2200 B9R1.2 OCc1cccc(Cl)n1 Amb8386844 [0,1,0,1,0,0|1,0,1]=4 2201 B9R1.2 OCc1cccc(F)c1 Amb837438 [0,1,0,1,0,0|0,0,2]=4 2202 B9R1.2 OCc1cccc(F)n1 Amb8386821 [0,1,0,1,0,0|1,0,1]=4 2203 B9R1.2 OCc1cccc(I)c1 Amb4605978 [0,1,0,1,0,0|0,0,2]=4 2204 B9R1.2 OCc1cccc(O)c1 Amb2688734 [0,1,0,1,0,0|0,0,2]=4 2205 B9R1.2 OCc1cccc(O)n1 Amb9902171 [0,1,0,1,0,0|1,0,1]=4 2206 B9R1.2 OCc1cccc(S)c1 Amb16231056 [0,1,0,1,0,0|0,0,2]=4 2207 B9R1.2 OCc1cncc(Br)c1 Amb6572386 [0,1,0,1,0,0|1,0,1]=4 2208 B9R1.2 OCc1cncc(Br)c1 Amb8285896 [0,1,0,1,0,0|1,0,1]=4 2209 B9R1.2 OCc1cncc(Cl)c1 Amb10975945 [0,1,0,1,0,0|1,0,1]=4 2210 B9R1.2 OCc1cncc(F)c1 Amb10603180 [0,1,0,1,0,0|1,0,1]=4 2211 B9R1.2 OCc1cncc(O)c1 Amb23401211 [0,1,0,1,0,0|1,0,1]=4 2212 B9R1.2 Oc1cccc(CBr)c1 Amb5719379 [0,1,0,1,0,0|1,0,1]=4 2213 B9R1.2 Oc1cccc(CCl)c1 Amb8391842 [0,1,0,1,0,0|1,0,1]=4 2214 B9R1.2 Oc1cccc(CF)n1 Amb25195006 [0,1,0,1,0,0|1,0,1]=4 2215 B9R1.2 Oc1cccc(CS)c1 Amb18643580 [0,1,0,1,0,0|1,0,1]=4 2216 B9R1.2 [NH3+]Cc1cccc(O)c1 Amb22547663 [0,1,0,1,0,0|1,0,1]=4 2217 B9R1.2 [O-][n+]1cccc(CO)c1 Amb10552691 [0,1,0,1,0,0|1,0,1]=4 2218 B9R1.7 CC1=C\C(=C\C=O)CC1 Amb27792975 [0,1,0,1,0,0|0,0,2]=4 2219 B9R1.7 CC1CC\C(=C/CO)C1 Amb27204469 [0,1,0,1,0,0|0,0,2]=4 2220 B9R1.7 CCCC1=CC(=O)CC1 Amb25337676 [0,1,0,1,0,0|1,0,1]=4 2221 B9R1.7 CCCC1=CC(=O)CO1 Amb27797456 [0,1,0,1,0,0|0,0,1]=3 2222 B9R1.7 CCCC1=CCC(O)C1 Amb28453475 [0,1,0,1,0,0|0,0,2]=4 2223 B9R1.7 CCCc1cc(C)co1 Amb28368534 [0,1,0,1,0,0|0,0,2]=4 2224 B9R1.7 CCCc1cc(N)no1 Amb18642428 [0,1,0,1,0,0|1,0,1]=4 2225 B9R1.7 CCCc1ccc(Br)o1 Amb24318772 [0,1,0,1,0,0|0,0,2]=4 2226 B9R1.7 CCCc1ccc(C)o1 Amb22339463 [0,1,0,1,0,0|0,0,2]=4 2227 B9R1.7 CCCc1ccc(O)s1 Amb33267047 [0,1,0,1,0,0|0,0,2]=4 2228 B9R1.7 CCNc1cc(C)no1 Amb9782139 [0,1,0,1,0,0|2,0,0]=4 2229 B9R1.7 CCNc1ccc(C)o1 Amb28139626 [0,1,0,1,0,0|1,0,1]=4 2230 B9R1.7 CCOC1=CC(=O)CC1 Amb21984008 [0,1,0,1,0,0|2,0,0]=4 2231 B9R1.7 CCO[C@@H]1C=C[C@@H](O)O1 Amb28069688 [0,1,0,1,0,0|1,0,1]=4 2232 B9R1.7 CCO[C@@H]1C=C[C@H](O)O1 Amb27430739 [0,1,0,1,0,0|1,0,1]=4 2233 B9R1.7 CCOc1cc(C)co1 Amb27796470 [0,1,0,1,0,0|1,0,1]=4 2234 B9R1.7 CCOc1cc(N)no1 Amb17935873 [0,1,0,1,0,0|2,0,0]=4 2235 B9R1.7 CCSc1cc(Br)co1 Amb25351967 [0,1,0,1,0,0|1,0,1]=4 2236 B9R1.7 CC\C=C1/C=CC(=O)O1 Amb27185841 [0,1,0,1,0,0|0,0,1]=3 2237 B9R1.7 CC\N=C1\C=CC(=O)O1 Amb27760317 [0,1,0,1,0,0|1,0,1]=4 2238 B9R1.7 CO\N=C1/C=C[C@@H](O)C1 Amb28315528 [0,1,0,1,0,0|2,0,0]=4 2239 B9R1.7 C\C=C\c1cc(C)co1 Amb27209260 [0,1,0,1,0,0|0,0,2]=4 2240 B9R1.7 C\C=C\c1ccc(C)o1 Amb27482400 [0,1,0,1,0,0|0,0,2]=4 2241 B9R1.7 C\N=C/c1ccc(C)o1 Amb27965230 [0,1,0,1,0,0|1,0,1]=4 2242 B9R1.7 C\N=C\c1ccc(C)o1 Amb28140651 [0,1,0,1,0,0|1,0,1]=4 2243 B9R1.7 Cc1ccc(CCO)o1 Amb24496246 [0,1,0,1,0,0|0,0,2]=4 2244 B9R1.7 Cc1ccc(CCO)s1 Amb27981032 [0,1,0,1,0,0|0,0,2]=4 2245 B9R1.7 Cc1ccc(\C=N/O)o1 Amb25147225 [0,1,0,1,0,0|1,0,1]=4 2246 B9R1.7 Cc1ccc(\C=N\O)o1 Amb6384039 [0,1,0,1,0,0|1,0,1]=4 2247 B9R1.7 Cc1ccc(\C=N\O)s1 Amb2611525 [0,1,0,1,0,0|1,0,1]=4 2248 B9R1.7 Cn1ccc(CCO)c1 Amb18860516 [0,1,0,1,0,0|1,0,1]=4 2249 B9R1.7 Cn1ccc(CCO)n1 Amb33553108 [0,1,0,1,0,0|1,0,1]=4 2250 B9R1.7 Cn1ccc(\C=N\O)c1 Amb28137347 [0,1,0,1,0,0|2,0,0]=4 2251 B9R1.7 N[C@H]1C=C[C@H](CCO)C1 Amb27204910 [0,1,0,1,0,0|0,0,2]=4 2252 B9R1.7 OCCC1C=CC(O)C1 Amb27486502 [0,1,0,1,0,0|0,0,2]=4 2253 B9R1.8 BrCCc1ccccn1 Amb1102303 [0,1,0,1,0,0|1,0,1]=4 2254 B9R1.8 BrCCc1ccccn1 Amb17935743 [0,1,0,1,0,0|1,0,1]=4 2255 B9R1.8 BrCCc1cccnc1 Amb19069960 [0,1,0,1,0,0|2,0,0]=4 2256 B9R1.8 BrCCc1cccnc1 Amb19372982 [0,1,0,1,0,0|2,0,0]=4 2257 B9R1.8 CCCc1ccccc1 Amb2447143 [0,1,0,1,0,0|1,0,1]=4 2258 B9R1.8 CCCc1ccccn1 Amb6366812 [0,1,0,1,0,0|1,0,1]=4 2259 B9R1.8 CCCc1cccnc1 Amb2613018 [0,1,0,1,0,0|2,0,0]=4 2260 B9R1.8 CCCc1cccnn1 Amb24447402 [0,1,0,1,0,0|2,0,0]=4 2261 B9R1.8 CCNc1ccccc1 Amb3940127 [0,1,0,1,0,0|1,0,1]=4 2262 B9R1.8 CCNc1ccccn1 Amb6640743 [0,1,0,1,0,0|1,0,1]=4 2263 B9R1.8 CCNc1cccnc1 Amb6686634 [0,1,0,1,0,0|2,0,0]=4 2264 B9R1.8 CCNc1cccnn1 Amb18286130 [0,1,0,1,0,0|2,0,0]=4 2265 B9R1.8 CCOC1=COCCO1 Amb27827629 [0,1,0,1,0,0|1,0,1]=4 2266 B9R1.8 CCOc1ccccc1 Amb2842270 [0,1,0,1,0,0|1,0,1]=4 2267 B9R1.8 CCOc1ccccn1 Amb2609960 [0,1,0,1,0,0|1,0,1]=4 2268 B9R1.8 CCOc1cccnc1 Amb10573342 [0,1,0,1,0,0|2,0,0]=4 2269 B9R1.8 CCOc1cccnn1 Amb19958352 [0,1,0,1,0,0|2,0,0]=4 2270 B9R1.8 CCSc1ccccc1 Amb2687929 [0,1,0,1,0,0|1,0,1]=4 2271 B9R1.8 CCSc1ccccn1 Amb26656831 [0,1,0,1,0,0|1,0,1]=4 2272 B9R1.8 CNCC1=COCCO1 Amb29866239 [0,1,0,1,0,0|1,0,1]=4 2273 B9R1.8 CNCc1ccccc1 Amb3699562 [0,1,0,1,0,0|1,0,1]=4 2274 B9R1.8 CNCc1ccccn1 Amb10068750 [0,1,0,1,0,0|1,0,1]=4 2275 B9R1.8 CNCc1ccccn1 Amb10576408 [0,1,0,1,0,0|1,0,1]=4 2276 B9R1.8 CNCc1ccccn1 Amb3941148 [0,1,0,1,0,0|1,0,1]=4 2277 B9R1.8 CNCc1cccnc1 Amb10066918 [0,1,0,1,0,0|2,0,0]=4 2278 B9R1.8 CNCc1cccnc1 Amb10576409 [0,1,0,1,0,0|2,0,0]=4 2279 B9R1.8 CNCc1cccnc1 Amb1648828 [0,1,0,1,0,0|2,0,0]=4 2280 B9R1.8 CNCc1cccnn1 Amb32667437 [0,1,0,1,0,0|2,0,0]=4 2281 B9R1.8 CNCc1cccnn1 Amb8010012 [0,1,0,1,0,0|2,0,0]=4 2282 B9R1.8 COCC1=CCNCC1 Amb27592399 [0,1,0,1,0,0|1,0,1]=4 2283 B9R1.8 COCC1=CCNCC1 Amb33292470 [0,1,0,1,0,0|1,0,1]=4 2284 B9R1.8 COCc1ccccc1 Amb2782562 [0,1,0,1,0,0|0,0,2]=4 2285 B9R1.8 COCc1ccccn1 Amb4017561 [0,1,0,1,0,0|1,0,1]=4 2286 B9R1.8 CSCc1ccccn1 Amb27837576 [0,1,0,1,0,0|1,0,1]=4 2287 B9R1.8 CSCc1cccnc1 Amb24523080 [0,1,0,1,0,0|2,0,0]=4 2288 B9R1.8 C[NH2+]Cc1ccccc1 Amb20648430 [0,1,0,1,0,0|1,0,1]=4 2289 B9R1.8 ClCCc1ccccc1 Amb535682 [0,1,0,1,0,0|1,0,1]=4 2290 B9R1.8 ClCCc1ccccn1 Amb1102254 [0,1,0,1,0,0|1,0,1]=4 2291 B9R1.8 ClCCc1ccccn1 Amb19892295 [0,1,0,1,0,0|1,0,1]=4 2292 B9R1.8 ClCCc1cccnc1 Amb24061504 [0,1,0,1,0,0|2,0,0]=4 2293 B9R1.8 ICCc1ccccc1 Amb8515353 [0,1,0,1,0,0|1,0,1]=4 2294 B9R1.8 ICCc1cccnc1 Amb33534604 [0,1,0,1,0,0|2,0,0]=4 2295 B9R1.8 NCCc1ccccc1 Amb17843439 [0,1,0,1,0,0|1,0,1]=4 2296 B9R1.8 NCCc1ccccc1 Amb2792829 [0,1,0,1,0,0|1,0,1]=4 2297 B9R1.8 NCCc1ccccn1 Amb1156071 [0,1,0,1,0,0|1,0,1]=4 2298 B9R1.8 NCCc1ccccn1 Amb24066975 [0,1,0,1,0,0|1,0,1]=4 2299 B9R1.8 NCCc1cccnc1 Amb1134784 [0,1,0,1,0,0|2,0,0]=4 2300 B9R1.8 NCCc1cccnc1 Amb16230500 [0,1,0,1,0,0|2,0,0]=4 2301 B9R1.8 NCCc1cccnc1 Amb20241523 [0,1,0,1,0,0|2,0,0]=4 2302 B9R1.8 NCCc1cccnc1 Amb8631307 [0,1,0,1,0,0|2,0,0]=4 2303 B9R1.8 NCCc1cccnn1 Amb23592188 [0,1,0,1,0,0|2,0,0]=4 2304 B9R1.8 NOCC1=COCCC1 Amb33414913 [0,1,0,1,0,0|1,0,1]=4 2305 B9R1.8 NOCC1CC=CCC1 Amb33316325 [0,1,0,1,0,0|0,0,2]=4 2306 B9R1.8 NOCc1ccccc1 Amb1154307 [0,1,0,1,0,0|0,0,2]=4 2307 B9R1.8 NOCc1ccccc1 Amb22489499 [0,1,0,1,0,0|0,0,2]=4 2308 B9R1.8 NOCc1ccccc1 Amb6600539 [0,1,0,1,0,0|0,0,2]=4 2309 B9R1.8 NOCc1ccccn1 Amb18642195 [0,1,0,1,0,0|1,0,1]=4 2310 B9R1.8 NOCc1ccccn1 Amb32663271 [0,1,0,1,0,0|1,0,1]=4 2311 B9R1.8 NOCc1cccnc1 Amb24074265 [0,1,0,1,0,0|1,0,1]=4 2312 B9R1.8 NOCc1cccnc1 Amb33546939 [0,1,0,1,0,0|1,0,1]=4 2313 B9R1.8 OCC=C1CCCCC1 Amb25783847 [0,1,0,1,0,0|0,0,2]=4 2314 B9R1.8 OCC=C1CCNCC1 Amb33465522 [0,1,0,1,0,0|0,0,2]=4 2315 B9R1.8 OCC=C1CCNCC1 Amb33465523 [0,1,0,1,0,0|0,0,2]=4 2316 B9R1.8 OCC=C1CCOCC1 Amb25994306 [0,1,0,1,0,0|0,0,2]=4 2317 B9R1.8 OCC=C1SCCCS1 Amb28315539 [0,1,0,1,0,0|1,0,1]=4 2318 B9R1.8 OCCC1=CCCCC1 Amb17593322 [0,1,0,1,0,0|0,0,2]=4 2319 B9R1.8 OCCC1=CCCCO1 Amb25266822 [0,1,0,1,0,0|0,0,2]=4 2320 B9R1.8 OCCC1=CCOCC1 Amb26022368 [0,1,0,1,0,0|0,0,2]=4 2321 B9R1.8 OCCC1=COCCC1 Amb32944531 [0,1,0,1,0,0|0,0,2]=4 2322 B9R1.8 OCCC1=CSCCS1 Amb28455291 [0,1,0,1,0,0|1,0,1]=4 2323 B9R1.8 OCCC1C=CCCC1 Amb17593314 [0,1,0,1,0,0|0,0,2]=4 2324 B9R1.8 OCCC1C=COCO1 Amb28049220 [0,1,0,1,0,0|1,0,1]=4 2325 B9R1.8 OCCC1CC=CCC1 Amb17593319 [0,1,0,1,0,0|0,0,2]=4 2326 B9R1.8 OCCC1CCC=CO1 Amb24481996 [0,1,0,1,0,0|0,0,2]=4 2327 B9R1.8 OCCc1ccccc1 Amb2793058 [0,1,0,1,0,0|0,0,2]=4 2328 B9R1.8 OCCc1ccccn1 Amb3939045 [0,1,0,1,0,0|1,0,1]=4 2329 B9R1.8 OCCc1cccnc1 Amb2688750 [0,1,0,1,0,0|1,0,1]=4 2330 B9R1.8 OCCc1cccnn1 Amb25086060 [0,1,0,1,0,0|2,0,0]=4 2331 B9R1.8 OCSc1ccccc1 Amb27776457 [0,1,0,1,0,0|0,0,2]=4 2332 B9R1.8 OC\C=C1\CSCCN1 Amb27215466 [0,1,0,1,0,0|1,0,1]=4 2333 B9R1.8 ONCC1=COCCC1 Amb33416036 [0,1,0,1,0,0|1,0,1]=4 2334 B9R1.8 ONCC1CC=CCC1 Amb24529066 [0,1,0,1,0,0|0,0,2]=4 2335 B9R1.8 ONCc1ccccc1 Amb22001943 [0,1,0,1,0,0|0,0,2]=4 2336 B9R1.8 ONCc1ccccc1 Amb9825936 [0,1,0,1,0,0|0,0,2]=4 2337 B9R1.8 ONCc1ccccn1 Amb28457793 [0,1,0,1,0,0|1,0,1]=4 2338 B9R1.8 ONCc1ccccn1 Amb32680372 [0,1,0,1,0,0|1,0,1]=4 2339 B9R1.8 ONCc1cccnc1 Amb25147084 [0,1,0,1,0,0|1,0,1]=4 2340 B9R1.8 O\N=C/C1=CNC=CC1 Amb27862035 [0,1,0,1,0,0|1,0,1]=4 2341 B9R1.8 SCCc1ccccc1 Amb6255605 [0,1,0,1,0,0|1,0,1]=4 2342 B9R1.8 SCCc1ccccn1 Amb17619707 [0,1,0,1,0,0|1,0,1]=4 2343 B9R1.8 SCCc1cccnc1 Amb22008806 [0,1,0,1,0,0|2,0,0]=4 2344 B9R1.8 [NH3+]CCc1ccccc1 Amb17843435 [0,1,0,1,0,0|1,0,1]=4 2345 B9R1.8 [NH3+]OCc1ccccc1 Amb9786371 [0,1,0,1,0,0|0,0,2]=4 2346 B9R1.12 BrCCCc1ccco1 Amb17104550 [0,1,0,1,0,0|0,0,2]=4 2347 B9R1.12 BrCCSc1ccco1 Amb27817680 [0,1,0,1,0,0|1,0,1]=4 2348 B9R1.12 BrC\C=C\c1ccco1 Amb27867174 [0,1,0,1,0,0|0,0,2]=4 2349 B9R1.12 CCCCc1ccco1 Amb10070290 [0,1,0,1,0,0|0,0,2]=4 2350 B9R1.12 CCNCc1ccco1 Amb1137312 [0,1,0,1,0,0|0,0,2]=4 2351 B9R1.12 CCNCc1ccco1 Amb8191019 [0,1,0,1,0,0|0,0,2]=4 2352 B9R1.12 CCOCc1ccco1 Amb22234292 [0,1,0,1,0,0|0,0,2]=4 2353 B9R1.12 CCSCc1ccco1 Amb26949169 [0,1,0,1,0,0|0,0,2]=4 2354 B9R1.12 CC\C=C\C1=NCCC1 Amb24563609 [0,1,0,1,0,0|1,0,1]=4 2355 B9R1.12 CC\C=C\C1OCCO1 Amb24359824 [0,1,0,1,0,0|0,0,2]=4 2356 B9R1.12 CC\N=C\c1ccco1 Amb27443134 [0,1,0,1,0,0|0,0,1]=3 2357 B9R1.12 CNCCc1ccco1 Amb17399803 [0,1,0,1,0,0|0,0,2]=4 2358 B9R1.12 CNCCc1ccno1 Amb28368791 [0,1,0,1,0,0|1,0,1]=4 2359 B9R1.12 COCCC1=CC=CC1 Amb27806849 [0,1,0,1,0,0|0,0,2]=4 2360 B9R1.12 CO\C=C\c1ccoc1 Amb25349455 [0,1,0,1,0,0|1,0,1]=4 2361 B9R1.12 CSCCc1ccco1 Amb27438612 [0,1,0,1,0,0|0,0,2]=4 2362 B9R1.12 ClCCCc1ccco1 Amb8860563 [0,1,0,1,0,0|0,0,2]=4 2363 B9R1.12 ClCCCc1ccno1 Amb27227468 [0,1,0,1,0,0|1,0,1]=4 2364 B9R1.12 NCCCc1ccco1 Amb534785 [0,1,0,1,0,0|0,0,2]=4 2365 B9R1.12 NCCCc1ccno1 Amb18832760 [0,1,0,1,0,0|1,0,1]=4 2366 B9R1.12 NCCOc1ccco1 Amb33360919 [0,1,0,1,0,0|1,0,1]=4 2367 B9R1.12 NCCSc1ccco1 Amb28326221 [0,1,0,1,0,0|1,0,1]=4 2368 B9R1.12 NC\C=C\c1ccco1 Amb10560864 [0,1,0,1,0,0|0,0,2]=4 2369 B9R1.12 NC\C=C\c1ccoc1 Amb28347981 [0,1,0,1,0,0|1,0,1]=4 2370 B9R1.12 NC\C=C\c1ccon1 Amb33197557 [0,1,0,1,0,0|1,0,1]=4 2371 B9R1.12 NC\C=C\c1cnco1 Amb33414799 [0,1,0,1,0,0|1,0,1]=4 2372 B9R1.12 OCCCC1=CCCC1 Amb24457013 [0,1,0,1,0,0|0,0,2]=4 2373 B9R1.12 OCCCc1ccco1 Amb8860560 [0,1,0,1,0,0|0,0,2]=4 2374 B9R1.12 OCCNc1ccco1 Amb27246618 [0,1,0,1,0,0|1,0,1]=4 2375 B9R1.12 OCCSc1ccco1 Amb27200113 [0,1,0,1,0,0|1,0,1]=4 2376 B9R1.12 OC\C=C\C1CCCC1 Amb33428704 [0,1,0,1,0,0|0,0,2]=4 2377 B9R1.12 OC\C=C\C1CCCO1 Amb33226990 [0,1,0,1,0,0|0,0,2]=4 2378 B9R1.12 OC\C=C\C1CCCS1 Amb33414579 [0,1,0,1,0,0|0,0,2]=4 2379 B9R1.12 OC\C=C\C1CCOC1 Amb33359633 [0,1,0,1,0,0|0,0,2]=4 2380 B9R1.12 OC\C=C\C1CCSC1 Amb32953834 [0,1,0,1,0,0|0,0,2]=4 2381 B9R1.12 OC\C=C\C1OCCO1 Amb27484833 [0,1,0,1,0,0|1,0,1]=4 2382 B9R1.12 OC\C=C\c1ccco1 Amb837544 [0,1,0,1,0,0|0,0,2]=4 2383 B9R1.12 OC\C=C\c1cccs1 Amb23555588 [0,1,0,1,0,0|0,0,2]=4 2384 B9R1.12 OC\C=C\c1ccns1 Amb30017499 [0,1,0,1,0,0|1,0,1]=4 2385 B9R1.12 OC\C=C\c1ccoc1 Amb33136449 [0,1,0,1,0,0|0,0,2]=4 2386 B9R1.12 OC\C=C\c1ccon1 Amb33197558 [0,1,0,1,0,0|1,0,1]=4 2387 B9R1.12 OC\C=C\c1ccsc1 Amb33136405 [0,1,0,1,0,0|0,0,2]=4 2388 B9R1.12 OC\C=C\c1cnco1 Amb33414800 [0,1,0,1,0,0|1,0,1]=4 2389 B9R1.12 OC\C=C\c1cncs1 Amb25733141 [0,1,0,1,0,0|1,0,1]=4 2390 B9R1.12 OC\C=C\c1cscn1 Amb28195848 [0,1,0,1,0,0|1,0,1]=4 2391 B9R1.12 OC\C=C\c1nccs1 Amb33429167 [0,1,0,1,0,0|1,0,1]=4 2392 B9R1.12 OC\C=C\n1cccc1 Amb28049227 [0,1,0,1,0,0|0,0,2]=4 2393 B9R1.12 SCCCc1ccco1 Amb17399874 [0,1,0,1,0,0|0,0,2]=4 2394 B9R1.15 CC1=C(CO)CCCC1 Amb27969811 [0,1,0,1,0,0|0,0,2]=4 2395 B9R1.15 CC1=CCCC\C1=N/O Amb27208139 [0,1,0,1,0,0|1,0,1]=4 2396 B9R1.15 CC1C=CNC=C1C=O Amb27872192 [0,1,0,1,0,0|0,0,2]=4 2397 B9R1.15 CC1CC=CCC1CO Amb3939090 [0,1,0,1,0,0|0,0,2]=4 2398 B9R1.15 CCC1=CCCCC1O Amb27808543 [0,1,0,1,0,0|0,0,2]=4 2399 B9R1.15 CCC1=CNC=CC1=N Amb22126003 [0,1,0,1,0,0|1,0,1]=4 2400 B9R1.15 CCC1=CNC=CC1=O Amb24062648 [0,1,0,1,0,0|0,0,2]=4 2401 B9R1.15 CCN1C=CC=CC1=O Amb22359913 [0,1,0,1,0,0|0,0,2]=4 2402 B9R1.15 CC[C@@H]1C=CCC[C@H]1O Amb27632001 [0,1,0,1,0,0|0,0,2]=4 2403 B9R1.15 CC[n+]1ccccc1Br Amb2685167 [0,1,0,1,0,0|1,0,1]=4 2404 B9R1.15 CC[n+]1ccccc1Br Amb28049734 [0,1,0,1,0,0|1,0,1]=4 2405 B9R1.15 CC[n+]1ccccc1C Amb27966049 [0,1,0,1,0,0|1,0,1]=4 2406 B9R1.15 CC[n+]1ccccc1Cl Amb5794570 [0,1,0,1,0,0|1,0,1]=4 2407 B9R1.15 CCc1cccc[n+]1N Amb27424792 [0,1,0,1,0,0|1,0,1]=4 2408 B9R1.15 CCc1cccc[n+]1[O-] Amb2694608 [0,1,0,1,0,0|0,0,2]=4 2409 B9R1.15 CCc1ccccc1Br Amb3939183 [0,1,0,1,0,0|1,0,1]=4 2410 B9R1.15 CCc1ccccc1C Amb8397274 [0,1,0,1,0,0|1,0,1]=4 2411 B9R1.15 CCc1ccccc1Cl Amb2685897 [0,1,0,1,0,0|1,0,1]=4 2412 B9R1.15 CCc1ccccc1F Amb10840487 [0,1,0,1,0,0|1,0,1]=4 2413 B9R1.15 CCc1ccccc1I Amb2688848 [0,1,0,1,0,0|1,0,1]=4 2414 B9R1.15 CCc1ccccc1N Amb2792823 [0,1,0,1,0,0|1,0,1]=4 2415 B9R1.15 CCc1ccccc1O Amb3939546 [0,1,0,1,0,0|0,0,1]=3 2416 B9R1.15 CCc1ccccc1S Amb2687958 [0,1,0,1,0,0|0,1,1]=4 2417 B9R1.15 CCc1cccnc1Br Amb24319268 [0,1,0,1,0,0|1,0,1]=4 2418 B9R1.15 CCc1cccnc1C Amb22169849 [0,1,0,1,0,0|1,0,1]=4 2419 B9R1.15 CCc1cccnc1Cl Amb19516800 [0,1,0,1,0,0|1,0,1]=4 2420 B9R1.15 CCc1cccnc1F Amb8396947 [0,1,0,1,0,0|1,0,1]=4 2421 B9R1.15 CCc1cccnc1I Amb27156636 [0,1,0,1,0,0|1,0,1]=4 2422 B9R1.15 CCc1cccnc1N Amb31291141 [0,1,0,1,0,0|1,0,1]=4 2423 B9R1.15 CCc1cccnc1N Amb8386854 [0,1,0,1,0,0|1,0,1]=4 2424 B9R1.15 CCc1cccnc1O Amb21864629 [0,1,0,1,0,0|0,0,1]=3 2425 B9R1.15 CCc1ccncc1Br Amb21857366 [0,1,0,1,0,0|1,0,1]=4 2426 B9R1.15 CCc1ccncc1Cl Amb22748741 [0,1,0,1,0,0|1,0,1]=4 2427 B9R1.15 CCc1ccncc1F Amb19959241 [0,1,0,1,0,0|1,0,1]=4 2428 B9R1.15 CCc1ccncc1N Amb18832983 [0,1,0,1,0,0|1,0,1]=4 2429 B9R1.15 CCc1ccncc1O Amb18642098 [0,1,0,1,0,0|0,0,1]=3 2430 B9R1.15 CCc1cnccc1Br Amb20617488 [0,1,0,1,0,0|1,0,1]=4 2431 B9R1.15 CCc1cnccc1Br Amb30633552 [0,1,0,1,0,0|1,0,1]=4 2432 B9R1.15 CCc1cnccc1Br Amb31307736 [0,1,0,1,0,0|1,0,1]=4 2433 B9R1.15 CCc1cnccc1Cl Amb25188972 [0,1,0,1,0,0|1,0,1]=4 2434 B9R1.15 CCc1cnccc1N Amb19514793 [0,1,0,1,0,0|1,0,1]=4 2435 B9R1.15 CCc1cncnc1O Amb15692081 [0,1,0,1,0,0|1,0,1]=4 2436 B9R1.15 CCc1ncccc1Br Amb22233901 [0,1,0,1,0,0|1,0,1]=4 2437 B9R1.15 CCc1ncccc1Cl Amb22497670 [0,1,0,1,0,0|1,0,1]=4 2438 B9R1.15 CCc1ncccc1F Amb27836980 [0,1,0,1,0,0|1,0,1]=4 2439 B9R1.15 CCc1ncccc1N Amb18832982 [0,1,0,1,0,0|1,0,1]=4 2440 B9R1.15 CCc1ncccc1O Amb6468133 [0,1,0,1,0,0|0,0,1]=3 2441 B9R1.15 CCc1ncncc1O Amb27852447 [0,1,0,1,0,0|1,0,1]=4 2442 B9R1.15 CCc1nnccc1C Amb27441771 [0,1,0,1,0,0|2,0,0]=4 2443 B9R1.15 CN1C=CC=CC1C=O Amb27797982 [0,1,0,1,0,0|1,0,1]=4 2444 B9R1.15 CN1CC=CCC1CO Amb27805167 [0,1,0,1,0,0|0,0,2]=4 2445 B9R1.15 CNC1C=CCCC1O Amb27954422 [0,1,0,1,0,0|0,0,2]=4 2446 B9R1.15 CNc1ccccc1O Amb6336644 [0,1,0,1,0,0|0,0,2]=4 2447 B9R1.15 COC1C=CCCC1O Amb27632601 [0,1,0,1,0,0|0,0,2]=4 2448 B9R1.15 COc1ccccc1C Amb8513241 [0,1,0,1,0,0|0,0,2]=4 2449 B9R1.15 COc1ccccc1O Amb3939629 [0,1,0,1,0,0|0,0,2]=4 2450 B9R1.15 COc1cccnc1O Amb8428106 [0,1,0,1,0,0|1,0,1]=4 2451 B9R1.15 COc1ccncc1O Amb10067115 [0,1,0,1,0,0|1,0,1]=4 2452 B9R1.15 COc1cnccc1O Amb19895108 [0,1,0,1,0,0|1,0,1]=4 2453 B9R1.15 COc1ncccc1O Amb9792642 [0,1,0,1,0,0|1,0,1]=4 2454 B9R1.15 CSc1ccccc1O Amb2688795 [0,1,0,1,0,0|0,0,2]=4 2455 B9R1.15 CSc1ccncc1O Amb25918829 [0,1,0,1,0,0|1,0,1]=4 2456 B9R1.15 CSc1ncccc1O Amb10552587 [0,1,0,1,0,0|1,0,1]=4 2457 B9R1.15 C[C@@H]1CC=CO[C@@H]1CO Amb27215397 [0,1,0,1,0,0|0,0,2]=4 2458 B9R1.15 C[C@H]1CC=CC[C@@H]1CO Amb27853895 [0,1,0,1,0,0|0,0,2]=4 2459 B9R1.15 C[C@H]1CC=CC[C@H]1CO Amb27422301 [0,1,0,1,0,0|0,0,2]=4 2460 B9R1.15 Cc1ccccc1CBr Amb3939708 [0,1,0,1,0,0|1,0,1]=4 2461 B9R1.15 Cc1ccccc1CCl Amb2792896 [0,1,0,1,0,0|1,0,1]=4 2462 B9R1.15 Cc1ccccc1CN Amb1651810 [0,1,0,1,0,0|1,0,1]=4 2463 B9R1.15 Cc1ccccc1CN Amb24065797 [0,1,0,1,0,0|1,0,1]=4 2464 B9R1.15 Cc1ccccc1CO Amb837463 [0,1,0,1,0,0|0,0,1]=3 2465 B9R1.15 Cc1ccccc1CS Amb2726199 [0,1,0,1,0,0|0,1,1]=4 2466 B9R1.15 Cc1ccccc1NO Amb21961958 [0,1,0,1,0,0|0,0,2]=4 2467 B9R1.15 Cc1ccccc1[NH2+]O Amb24113085 [0,1,0,1,0,0|0,0,2]=4 2468 B9R1.15 Cc1cccnc1CBr Amb1935083 [0,1,0,1,0,0|1,0,1]=4 2469 B9R1.15 Cc1cccnc1CBr Amb2692416 [0,1,0,1,0,0|1,0,1]=4 2470 B9R1.15 Cc1cccnc1CCl Amb21964607 [0,1,0,1,0,0|1,0,1]=4 2471 B9R1.15 Cc1cccnc1CCl Amb3941355 [0,1,0,1,0,0|1,0,1]=4 2472 B9R1.15 Cc1cccnc1CN Amb22233790 [0,1,0,1,0,0|1,0,1]=4 2473 B9R1.15 Cc1cccnc1CN Amb2684467 [0,1,0,1,0,0|1,0,1]=4 2474 B9R1.15 Cc1cccnc1CO Amb22233995 [0,1,0,1,0,0|0,0,1]=3 2475 B9R1.15 Cc1cccnc1CO Amb2695614 [0,1,0,1,0,0|0,0,1]=3 2476 B9R1.15 Cc1cccnc1CS Amb25284674 [0,1,0,1,0,0|0,1,1]=4 2477 B9R1.15 Cc1ccncc1CBr Amb21964366 [0,1,0,1,0,0|1,0,1]=4 2478 B9R1.15 Cc1ccncc1CBr Amb22436775 [0,1,0,1,0,0|1,0,1]=4 2479 B9R1.15 Cc1ccncc1CCl Amb20668411 [0,1,0,1,0,0|1,0,1]=4 2480 B9R1.15 Cc1ccncc1CN Amb22500751 [0,1,0,1,0,0|1,0,1]=4 2481 B9R1.15 Cc1ccncc1CN Amb22747290 [0,1,0,1,0,0|1,0,1]=4 2482 B9R1.15 Cc1ccncc1CN Amb8010867 [0,1,0,1,0,0|1,0,1]=4 2483 B9R1.15 Cc1ccncc1CO Amb19892286 [0,1,0,1,0,0|0,0,1]=3 2484 B9R1.15 Cc1ccncc1CS Amb25839891 [0,1,0,1,0,0|0,1,1]=4 2485 B9R1.15 Cc1cnccc1CBr Amb24752357 [0,1,0,1,0,0|1,0,1]=4 2486 B9R1.15 Cc1cnccc1CCl Amb19516653 [0,1,0,1,0,0|1,0,1]=4 2487 B9R1.15 Cc1cnccc1CCl Amb30526965 [0,1,0,1,0,0|1,0,1]=4 2488 B9R1.15 Cc1cnccc1CN Amb2695617 [0,1,0,1,0,0|1,0,1]=4 2489 B9R1.15 Cc1cnccc1CN Amb8630132 [0,1,0,1,0,0|1,0,1]=4 2490 B9R1.15 Cc1cnccc1CO Amb2695451 [0,1,0,1,0,0|0,0,1]=3 2491 B9R1.15 Cc1cnccc1CS Amb26925948 [0,1,0,1,0,0|0,1,1]=4 2492 B9R1.15 Cc1cnccc1NO Amb27652342 [0,1,0,1,0,0|1,0,1]=4 2493 B9R1.15 Cc1cncnc1CO Amb26331108 [0,1,0,1,0,0|1,0,1]=4 2494 B9R1.15 Cc1ncccc1CBr Amb18850480 [0,1,0,1,0,0|1,0,1]=4 2495 B9R1.15 Cc1ncccc1CBr Amb20671009 [0,1,0,1,0,0|1,0,1]=4 2496 B9R1.15 Cc1ncccc1CCl Amb18851725 [0,1,0,1,0,0|1,0,1]=4 2497 B9R1.15 Cc1ncccc1CCl Amb20171422 [0,1,0,1,0,0|1,0,1]=4 2498 B9R1.15 Cc1ncccc1CN Amb22747289 [0,1,0,1,0,0|1,0,1]=4 2499 B9R1.15 Cc1ncccc1CN Amb33542974 [0,1,0,1,0,0|1,0,1]=4 2500 B9R1.15 Cc1ncccc1CO Amb33533075 [0,1,0,1,0,0|0,0,1]=3 2501 B9R1.15 Cc1ncccc1CS Amb18852312 [0,1,0,1,0,0|0,1,1]=4 2502 B9R1.15 Cc1nccnc1CO Amb19516781 [0,1,0,1,0,0|1,0,1]=4 2503 B9R1.15 Cc1ncncc1CO Amb23401791 [0,1,0,1,0,0|1,0,1]=4 2504 B9R1.15 Cc1nnccc1CO Amb30594092 [0,1,0,1,0,0|1,0,1]=4 2505 B9R1.15 N#CC1=CNC=CC1O Amb28285126 [0,1,0,1,0,0|1,0,1]=4 2506 B9R1.15 NC1C=CCCC1CO Amb27841059 [0,1,0,1,0,0|0,0,2]=4 2507 B9R1.15 NC1CC=CCC1CO Amb26335299 [0,1,0,1,0,0|0,0,2]=4 2508 B9R1.15 NCc1ccccc1O Amb1111172 [0,1,0,1,0,0|0,0,2]=4 2509 B9R1.15 NCc1ccccc1O Amb13951900 [0,1,0,1,0,0|0,0,2]=4 2510 B9R1.15 NCc1ccccc1O Amb30594500 [0,1,0,1,0,0|0,0,2]=4 2511 B9R1.15 NCc1cccnc1O Amb32409635 [0,1,0,1,0,0|1,0,1]=4 2512 B9R1.15 NCc1cccnc1O Amb33611602 [0,1,0,1,0,0|1,0,1]=4 2513 B9R1.15 NCc1cccnc1O Amb8855139 [0,1,0,1,0,0|1,0,1]=4 2514 B9R1.15 NCc1ccncc1O Amb20247896 [0,1,0,1,0,0|1,0,1]=4 2515 B9R1.15 NCc1cnccc1O Amb18908274 [0,1,0,1,0,0|1,0,1]=4 2516 B9R1.15 NCc1ncccc1O Amb22501146 [0,1,0,1,0,0|1,0,1]=4 2517 B9R1.15 NCc1ncccc1O Amb2697349 [0,1,0,1,0,0|1,0,1]=4 2518 B9R1.15 NCc1ncccc1O Amb33482924 [0,1,0,1,0,0|1,0,1]=4 2519 B9R1.15 N[C@@H]1C=CCC[C@H]1CO Amb26464134 [0,1,0,1,0,0|0,0,2]=4 2520 B9R1.15 N[C@@H]1CC=CC[C@H]1CO Amb1993795 [0,1,0,1,0,0|0,0,2]=4 2521 B9R1.15 N[C@H]1C=CCC[C@H]1CO Amb25231204 [0,1,0,1,0,0|0,0,2]=4 2522 B9R1.15 N[C@H]1CC=CC[C@@H]1CO Amb28195328 [0,1,0,1,0,0|0,0,2]=4 2523 B9R1.15 N[n+]1ccccc1CO Amb27839504 [0,1,0,1,0,0|1,0,1]=4 2524 B9R1.15 Nc1ccccc1CO Amb1808337 [0,1,0,1,0,0|0,0,2]=4 2525 B9R1.15 Nc1cccnc1CO Amb2697304 [0,1,0,1,0,0|1,0,1]=4 2526 B9R1.15 Nc1ccncc1CO Amb2697298 [0,1,0,1,0,0|1,0,1]=4 2527 B9R1.15 Nc1cnccc1CO Amb2697302 [0,1,0,1,0,0|1,0,1]=4 2528 B9R1.15 Nc1ncccc1CO Amb2608577 [0,1,0,1,0,0|1,0,1]=4 2529 B9R1.15 O=C1C=CNN=C1CO Amb28351522 [0,1,0,1,0,0|2,0,0]=4 2530 B9R1.15 O=C1NC=CC=C1CO Amb18922455 [0,1,0,1,0,0|1,0,1]=4 2531 B9R1.15 OCC1=C(Cl)CCCC1 Amb28061885 [0,1,0,1,0,0|0,0,2]=4 2532 B9R1.15 OCC1=CC=CNC1=S Amb25210908 [0,1,0,1,0,0|1,0,1]=4 2533 B9R1.15 OCC1NCC=CC1O Amb28343160 [0,1,0,1,0,0|1,0,1]=4 2534 B9R1.15 OCC1SCC=CC1O Amb27780179 [0,1,0,1,0,0|1,0,1]=4 2535 B9R1.15 OC[C@@H]1CC=CC[C@@H]1Cl Amb27634878 [0,1,0,1,0,0|0,0,2]=4 2536 B9R1.15 OC[C@@H]1CC=CC[C@H]1O Amb27857923 [0,1,0,1,0,0|0,0,2]=4 2537 B9R1.15 OC[C@@H]1CCC=C[C@@H]1O Amb27215271 [0,1,0,1,0,0|0,0,2]=4 2538 B9R1.15 OC[C@@H]1OCC=C[C@H]1O Amb27632773 [0,1,0,1,0,0|1,0,1]=4 2539 B9R1.15 OC[C@H]1CCC=C[C@H]1O Amb27218905 [0,1,0,1,0,0|0,0,2]=4 2540 B9R1.15 OC[C@H]1OCC=C[C@@H]1O Amb28318872 [0,1,0,1,0,0|1,0,1]=4 2541 B9R1.15 OCc1ccccc1Br Amb3939081 [0,1,0,1,0,0|0,0,2]=4 2542 B9R1.15 OCc1ccccc1Cl Amb837338 [0,1,0,1,0,0|0,0,2]=4 2543 B9R1.15 OCc1ccccc1F Amb837270 [0,1,0,1,0,0|0,0,2]=4 2544 B9R1.15 OCc1ccccc1I Amb6373404 [0,1,0,1,0,0|0,0,2]=4 2545 B9R1.15 OCc1ccccc1O Amb3940117 [0,1,0,1,0,0|0,0,2]=4 2546 B9R1.15 OCc1ccccc1S Amb2689068 [0,1,0,1,0,0|0,0,2]=4 2547 B9R1.15 OCc1cccnc1Br Amb4561110 [0,1,0,1,0,0|1,0,1]=4 2548 B9R1.15 OCc1cccnc1Cl Amb2722986 [0,1,0,1,0,0|1,0,1]=4 2549 B9R1.15 OCc1cccnc1F Amb10603593 [0,1,0,1,0,0|1,0,1]=4 2550 B9R1.15 OCc1cccnc1O Amb20247914 [0,1,0,1,0,0|1,0,1]=4 2551 B9R1.15 OCc1ccncc1Br Amb19958216 [0,1,0,1,0,0|1,0,1]=4 2552 B9R1.15 OCc1ccncc1Cl Amb8630898 [0,1,0,1,0,0|1,0,1]=4 2553 B9R1.15 OCc1ccncc1F Amb13887027 [0,1,0,1,0,0|1,0,1]=4 2554 B9R1.15 OCc1ccncc1I Amb23447040 [0,1,0,1,0,0|1,0,1]=4 2555 B9R1.15 OCc1ccncc1O Amb8439447 [0,1,0,1,0,0|1,0,1]=4 2556 B9R1.15 OCc1cnccc1Br Amb19958695 [0,1,0,1,0,0|1,0,1]=4 2557 B9R1.15 OCc1cnccc1Br Amb20671165 [0,1,0,1,0,0|1,0,1]=4 2558 B9R1.15 OCc1cnccc1Br Amb31205724 [0,1,0,1,0,0|1,0,1]=4 2559 B9R1.15 OCc1cnccc1Cl Amb10068416 [0,1,0,1,0,0|1,0,1]=4 2560 B9R1.15 OCc1cnccc1Cl Amb22233797 [0,1,0,1,0,0|1,0,1]=4 2561 B9R1.15 OCc1cnccc1F Amb25147035 [0,1,0,1,0,0|1,0,1]=4 2562 B9R1.15 OCc1cnccc1F Amb30633187 [0,1,0,1,0,0|1,0,1]=4 2563 B9R1.15 OCc1cnccc1I Amb27603031 [0,1,0,1,0,0|1,0,1]=4 2564 B9R1.15 OCc1ncccc1Br Amb13882830 [0,1,0,1,0,0|1,0,1]=4 2565 B9R1.15 OCc1ncccc1Cl Amb15695291 [0,1,0,1,0,0|1,0,1]=4 2566 B9R1.15 OCc1ncccc1F Amb2723486 [0,1,0,1,0,0|1,0,1]=4 2567 B9R1.15 OCc1ncccc1I Amb23447033 [0,1,0,1,0,0|1,0,1]=4 2568 B9R1.15 OCc1ncccc1O Amb2611945 [0,1,0,1,0,0|1,0,1]=4 2569 B9R1.15 OCc1ncccc1O Amb8384342 [0,1,0,1,0,0|1,0,1]=4 2570 B9R1.15 Oc1ccccc1CBr Amb18129657 [0,1,0,1,0,0|0,0,2]=4 2571 B9R1.15 Oc1ccccc1CCl Amb17477840 [0,1,0,1,0,0|0,0,2]=4 2572 B9R1.15 Oc1ccccc1CS Amb25188976 [0,1,0,1,0,0|0,0,2]=4 2573 B9R1.15 Oc1cccnc1CBr Amb8504199 [0,1,0,1,0,0|1,0,1]=4 2574 B9R1.15 Oc1cccnc1CCl Amb24062575 [0,1,0,1,0,0|1,0,1]=4 2575 B9R1.15 Oc1cccnc1CCl Amb34916680 [0,1,0,1,0,0|1,0,1]=4 2576 B9R1.15 Oc1cnccc1CBr Amb25697071 [0,1,0,1,0,0|1,0,1]=4 2577 B9R1.15 [O-][n+]1ccccc1CO Amb17615558 [0,1,0,1,0,0|1,0,1]=4 2578 B9R1.20 CCC\C=C1\CC1CO Amb27858002 [0,1,0,1,0,0|0,0,2]=4 2579 B9R1.20 CC\C=C\C1OC1CO Amb27207668 [0,1,0,1,0,0|0,0,2]=4 2580 B9R1.20 CC\C=C\[C@H]1O[C@@H]1CO Amb27207853 [0,1,0,1,0,0|0,0,2]=4 2581 B9R1.22 CCC1=CC(=O)OC1O Amb25221620 [0,1,0,1,0,0|1,0,0]=3 2582 B9R1.22 CCc1cc(Br)oc1O Amb18186812 [0,1,0,1,0,0|1,0,1]=4 2583 B9R1.22 COC1=CC(=O)OC1O Amb28244857 [0,1,0,1,0,0|2,0,0]=4 2584 B9R1.22 C[C@H]1C[C@@H](C)C=C1CO Amb27488142 [0,1,0,1,0,0|0,0,2]=4 2585 B9R1.22 Cc1cc(Br)oc1CO Amb27180451 [0,1,0,1,0,0|1,0,1]=4 2586 B9R1.22 Cc1cc(C)n(CO)c1 Amb28315498 [0,1,0,1,0,0|1,0,1]=4 2587 B9R1.22 Cc1cc(CO)c(C)o1 Amb9004306 [0,1,0,1,0,0|1,0,1]=4 2588 B9R1.22 Cc1cc(CO)c(C)s1 Amb8846380 [0,1,0,1,0,0|1,0,1]=4 2589 B9R1.22 Cc1cc(CO)n(C)n1 Amb2723188 [0,1,0,1,0,0|2,0,0]=4 2590 B9R1.22 Cc1cn(C)c(CO)n1 Amb24269254 [0,1,0,1,0,0|2,0,0]=4 2591 B9R1.22 Cc1cn(C)cc1CO Amb32698558 [0,1,0,1,0,0|1,0,1]=4 2592 B9R1.22 Cc1oc(Br)cc1CO Amb27805528 [0,1,0,1,0,0|1,0,1]=4 2593 B9R1.22 Cc1sc(Br)cc1CO Amb28255674 [0,1,0,1,0,0|1,0,1]=4 2594 B9R1.22 Cn1cc(Br)cc1CN Amb18253004 [0,1,0,1,0,0|2,0,0]=4 2595 B9R1.22 Cn1cc(Br)cc1CN Amb35788172 [0,1,0,1,0,0|2,0,0]=4 2596 B9R1.22 Cn1cc(Br)nc1CO Amb27406876 [0,1,0,1,0,0|2,0,0]=4 2597 B9R1.22 Cn1cc(Cl)cc1CN Amb18251280 [0,1,0,1,0,0|2,0,0]=4 2598 B9R1.22 Cn1nc(Br)cc1CO Amb25267921 [0,1,0,1,0,0|2,0,0]=4 2599 B9R1.22 Cn1nc(I)cc1CO Amb33621384 [0,1,0,1,0,0|2,0,0]=4 2600 B9R1.22 Cn1nc(N)cc1CO Amb20619775 [0,1,0,1,0,0|2,0,0]=4 2601 B9R1.22 O=C1C=C(CCl)C(O)O1 Amb24669206 [0,1,0,1,0,0|2,0,0]=4 2602 B9R1.27 CC1=C(CO)C(C)CO1 Amb27396212 [0,1,0,1,0,0|1,0,1]=4 2603 B9R1.27 CC1=C(CO)[C@H](C)CC1 Amb27806087 [0,1,0,1,0,0|0,0,2]=4 2604 B9R1.27 CCC1C(=O)C=CC1C Amb28199783 [0,1,0,1,0,0|1,0,1]=4 2605 B9R1.27 CC[C@@H]1C(=O)C=C[C@@H]1C Amb28052276 [0,1,0,1,0,0|1,0,1]=4 2606 B9R1.27 CCc1c(C)ccn1C Amb28145539 [0,1,0,1,0,0|2,0,0]=4 2607 B9R1.27 Cc1ccc(C)n1CO Amb26930214 [0,1,0,1,0,0|1,0,1]=4 2608 B9R1.27 Cc1ccn(C)c1CO Amb23441151 [0,1,0,1,0,0|1,0,0]=3 2609 B9R1.27 Cc1cnn(C)c1CO Amb24269234 [0,1,0,1,0,0|2,0,0]=4 2610 B9R1.27 Cc1csc(C)c1CO Amb25296332 [0,1,0,1,0,0|1,0,1]=4 2611 B9R1.27 Cc1ncn(C)c1CO Amb27950167 [0,1,0,1,0,0|2,0,0]=4 2612 B9R1.27 Cn1cnc(Br)c1CO Amb23441159 [0,1,0,1,0,0|2,0,0]=4 2613 B9R1.27 Cn1ncc(Br)c1CO Amb20619739 [0,1,0,1,0,0|2,0,0]=4 2614 B9R1.27 Cn1ncc(Cl)c1CO Amb20619725 [0,1,0,1,0,0|2,0,0]=4 2615 B9R1.27 Cn1ncc(I)c1CO Amb25091672 [0,1,0,1,0,0|2,0,0]=4 2616 B9R1.33 C#CCc1cccn1C Amb25308963 [0,1,0,1,0,0|2,0,0]=4 2617 B9R1.33 C=CCc1cccn1C Amb26872959 [0,1,0,1,0,0|2,0,0]=4 2618 B9R1.33 CC1=C(CCO)CC=C1 Amb27761613 [0,1,0,1,0,0|0,0,2]=4 2619 B9R1.33 CCCc1cccn1C Amb27259846 [0,1,0,1,0,0|2,0,0]=4 2620 B9R1.33 CCCc1oncc1N Amb28130585 [0,1,0,1,0,0|1,0,1]=4 2621 B9R1.33 CC\C=C1/CC=CC1=O Amb28144042 [0,1,0,1,0,0|0,0,2]=4 2622 B9R1.33 CC\C=C1/CCCC1=O Amb27235548 [0,1,0,1,0,0|1,0,1]=4 2623 B9R1.33 CC\C=C1\CCCC1=O Amb26408836 [0,1,0,1,0,0|1,0,1]=4 2624 B9R1.33 CC\C=C1\CCOC1=O Amb25225082 [0,1,0,1,0,0|2,0,0]=4 2625 B9R1.33 CNCc1cccn1C Amb6332084 [0,1,0,1,0,0|2,0,0]=4 2626 B9R1.33 COC[C@H]1C=CC[C@@H]1O Amb27652492 [0,1,0,1,0,0|0,0,2]=4 2627 B9R1.33 COCc1ccnn1C Amb24269821 [0,1,0,1,0,0|2,0,0]=4 2628 B9R1.33 COCc1ccoc1O Amb33448290 [0,1,0,1,0,0|1,0,1]=4 2629 B9R1.33 COCc1ccsc1C Amb27185549 [0,1,0,1,0,0|1,0,1]=4 2630 B9R1.33 COCc1nccn1C Amb33328565 [0,1,0,1,0,0|2,0,0]=4 2631 B9R1.33 COCc1occc1C Amb27665910 [0,1,0,1,0,0|1,0,1]=4 2632 B9R1.33 Cc1ccoc1CCO Amb25300068 [0,1,0,1,0,0|0,0,2]=4 2633 B9R1.33 Cc1ccoc1CNO Amb26944486 [0,1,0,1,0,0|1,0,1]=4 2634 B9R1.33 Cc1ccoc1CON Amb33343539 [0,1,0,1,0,0|1,0,1]=4 2635 B9R1.33 Cc1ccsc1CCO Amb25935748 [0,1,0,1,0,0|0,0,2]=4 2636 B9R1.33 Cc1ccsc1CNO Amb27971966 [0,1,0,1,0,0|1,0,1]=4 2637 B9R1.33 Cc1ccsc1CON Amb27847247 [0,1,0,1,0,0|1,0,1]=4 2638 B9R1.33 Cc1ccsc1\C=N\O Amb2782070 [0,1,0,1,0,0|1,0,1]=4 2639 B9R1.33 Cc1cocc1CCO Amb26918329 [0,1,0,1,0,0|0,0,2]=4 2640 B9R1.33 Cc1cscc1CCO Amb33147729 [0,1,0,1,0,0|0,0,2]=4 2641 B9R1.33 Cc1cscc1CNO Amb28129567 [0,1,0,1,0,0|1,0,1]=4 2642 B9R1.33 Cc1cscc1CON Amb33146562 [0,1,0,1,0,0|1,0,1]=4 2643 B9R1.33 Cc1occc1CCO Amb25104148 [0,1,0,1,0,0|0,0,2]=4 2644 B9R1.33 Cc1occc1CNO Amb26361281 [0,1,0,1,0,0|1,0,1]=4 2645 B9R1.33 Cc1occc1CON Amb33275067 [0,1,0,1,0,0|1,0,1]=4 2646 B9R1.33 Cc1sccc1CCO Amb24738484 [0,1,0,1,0,0|0,0,2]=4 2647 B9R1.33 Cn1cccc1CC#N Amb6306524 [0,1,0,1,0,0|2,0,0]=4 2648 B9R1.33 Cn1cccc1CC=O Amb27244764 [0,1,0,1,0,0|1,0,1]=4 2649 B9R1.33 Cn1cccc1CCBr Amb33113563 [0,1,0,1,0,0|2,0,0]=4 2650 B9R1.33 Cn1cccc1CCCl Amb24419304 [0,1,0,1,0,0|2,0,0]=4 2651 B9R1.33 Cn1cccc1CCN Amb7796008 [0,1,0,1,0,0|2,0,0]=4 2652 B9R1.33 Cn1cccc1CCO Amb19957346 [0,1,0,1,0,0|1,0,0]=3 2653 B9R1.33 Cn1cccc1CCS Amb25282882 [0,1,0,1,0,0|1,1,0]=4 2654 B9R1.33 Cn1cccc1CNN Amb19664698 [0,1,0,1,0,0|2,0,0]=4 2655 B9R1.33 Cn1cccc1CNO Amb26515826 [0,1,0,1,0,0|1,0,0]=3 2656 B9R1.33 Cn1cccc1CON Amb25837380 [0,1,0,1,0,0|1,0,0]=3 2657 B9R1.33 Cn1cccc1\C=N\O Amb3520695 [0,1,0,1,0,0|1,0,1]=4 2658 B9R1.33 Cn1ccnc1CCO Amb17593312 [0,1,0,1,0,0|1,0,1]=4 2659 B9R1.33 Cn1ccnc1CNO Amb24339748 [0,1,0,1,0,0|2,0,0]=4 2660 B9R1.33 Cn1ccnc1CON Amb25887266 [0,1,0,1,0,0|2,0,0]=4 2661 B9R1.33 Cn1ccnc1\C=N\O Amb22641063 [0,1,0,1,0,0|2,0,0]=4 2662 B9R1.33 Cn1cncc1CCO Amb25111555 [0,1,0,1,0,0|1,0,1]=4 2663 B9R1.33 Cn1cncc1CNO Amb24416831 [0,1,0,1,0,0|2,0,0]=4 2664 B9R1.33 Cn1cncc1CON Amb25859369 [0,1,0,1,0,0|2,0,0]=4 2665 B9R1.33 Cn1cncc1\C=N\O Amb1933532 [0,1,0,1,0,0|2,0,0]=4 2666 B9R1.33 Cn1nccc1CCO Amb19957348 [0,1,0,1,0,0|1,0,1]=4 2667 B9R1.33 Cn1nccc1CNO Amb25360541 [0,1,0,1,0,0|2,0,0]=4 2668 B9R1.33 OCCC1=C(Br)CCC1 Amb27826576 [0,1,0,1,0,0|0,0,2]=4 2669 B9R1.33 OCCC1C=CCC1O Amb27642147 [0,1,0,1,0,0|0,0,2]=4 2670 B9R1.33 OCC[C@@H]1C=CC[C@@H]1O Amb27207047 [0,1,0,1,0,0|0,0,2]=4 2671 B9R1.33 OCC[C@H]1CC=C[C@H]1O Amb27218968 [0,1,0,1,0,0|0,0,2]=4 2672 B9R1.48 C=C1C=CCCC(O)C1 Amb28065207 [0,1,0,1,0,0|0,0,1]=3 2673 B9R1.48 CC1=CC=CC=C(C)O1 Amb26521492 [0,1,0,1,0,0|0,0,2]=4 2674 B9R1.48 CC1CCC=CC(=O)C1 Amb28460736 [0,1,0,1,0,0|1,0,1]=4 2675 B9R1.48 CC1CCC=CC(O)C1 Amb28400665 [0,1,0,1,0,0|0,0,2]=4 2676 B9R1.48 O=C1C=CC=CC(O)C1 Amb28430523 [0,1,0,1,0,0|0,0,1]=3 2677 B9R1.48 O=C1C=CCC[C@H](O)C1 Amb27838758 [0,1,0,1,0,0|0,0,1]=3 2678 B9R1.48 OC1C=C(Br)CCCC1 Amb28455049 [0,1,0,1,0,0|0,0,2]=4 2679 B9R1.48 OC1C=CC=CC(O)C1 Amb27770332 [0,1,0,1,0,0|0,0,0]=2 2680 B9R1.49 CC1=CCC(O)CC=C1 Amb28123967 [0,1,0,1,0,0|0,0,2]=4 2681 B9R1.49 CC1C=CC(O)CCC1 Amb27599988 [0,1,0,1,0,0|0,0,2]=4 2682 B9R1.49 CC1CC=CC(=O)CC1 Amb27838660 [0,1,0,1,0,0|1,0,1]=4 2683 B9R1.49 C[C@@H]1C=C[C@@H](O)CCC1 Amb27220561 [0,1,0,1,0,0|0,0,2]=4 2684 B9R1.49 O=C1NC=CC(O)CN1 Amb27409827 [0,1,0,1,0,0|2,0,0]=4 2685 B9R1.50 BrC1C=CCC=CCC1 Amb25088467 [0,1,0,1,0,0|1,0,0]=3 2686 B9R1.50 NC1C=CC=CCCC1 Amb27181161 [0,1,0,1,0,0|1,0,0]=3 2687 B9R1.50 O=C1C=CC=CCCC1 Amb27164621 [0,1,0,1,0,0|0,0,2]=4 2688 B9R1.50 O=C1C=CCC=CCC1 Amb28207621 [0,1,0,1,0,0|0,0,2]=4 2689 B9R1.50 O=C1C=CCCCC=C1 Amb22364780 [0,1,0,1,0,0|1,0,1]=4 2690 B9R1.50 O=C1C=CCCCCC1 Amb3987503 [0,1,0,1,0,0|1,0,1]=4 2691 B9R1.50 O=C1C=CCCCCN1 Amb24469221 [0,1,0,1,0,0|2,0,0]=4 2692 B9R1.50 O=C1C=CCCOCC1 Amb27838783 [0,1,0,1,0,0|0,0,1]=3 2693 B9R1.50 O=C1CC=CCCOC1 Amb22364797 [0,1,0,1,0,0|0,0,1]=3 2694 B9R1.50 OC1C=CC#CCCC1 Amb27618196 [0,1,0,1,0,0|0,0,2]=4 2695 B9R1.50 OC1C=CCC=CCC1 Amb27825906 [0,1,0,1,0,0|0,0,0]=2 2696 B9R1.50 OC1C=CCCCCC1 Amb22364937 [0,1,0,1,0,0|0,0,2]=4 2697 B9R1.50 OC1C=CCCCOC1 Amb27452486 [0,1,0,1,0,0|0,0,2]=4 2698 B9R1.50 OC1CC=CCCOC1 Amb22364794 [0,1,0,1,0,0|0,0,2]=4 2699 B9R1.50 OC1CCC=CCCC1 Amb21858009 [0,1,0,1,0,0|0,0,2]=4 2700 B9R1.50 O[C@@H]1C=CC=CCCC1 Amb27841912 [0,1,0,1,0,0|0,0,0]=2 2701 B9R1.50 O[C@@H]1C=CCC=CCC1 Amb28315535 [0,1,0,1,0,0|0,0,0]=2 2702 B9R1.50 O[C@@H]1C=CCCCCC1 Amb27826413 [0,1,0,1,0,0|0,0,2]=4 2703 B9R1.50 O[C@@H]1CCC=CCCC1 Amb25781269 [0,1,0,1,0,0|0,0,2]=4 2704 B9R1.50 O[C@H]1C=CC=CCCC1 Amb28315480 [0,1,0,1,0,0|0,0,0]=2 2705 B9R1.50 O[C@H]1CCC=CCCC1 Amb24481888 [0,1,0,1,0,0|0,0,2]=4 2706 B9R1.69 CC1=CC(=O)C=CC1O Amb27750285 [0,1,0,1,0,0|0,0,1]=3 2707 B9R1.69 CC1=CC(C)C(O)CC1 Amb27664856 [0,1,0,1,0,0|0,0,2]=4 2708 B9R1.69 CC1=CC(O)[C@H](C)CC1 Amb28049248 [0,1,0,1,0,0|0,0,2]=4 2709 B9R1.69 CC1=CCC(C)C(O)O1 Amb27206419 [0,1,0,1,0,0|1,0,1]=4 2710 B9R1.69 CC1=CCC(O)C(C)C1 Amb27977995 [0,1,0,1,0,0|0,0,2]=4 2711 B9R1.69 CC1=CC[C@@H](O)C(C)C1 Amb27956617 [0,1,0,1,0,0|0,0,2]=4 2712 B9R1.69 CC1C=CC(C)C(O)C1 Amb27395845 [0,1,0,1,0,0|0,0,2]=4 2713 B9R1.69 CC1CC(O)C=CC1O Amb27978689 [0,1,0,1,0,0|0,0,2]=4 2714 B9R1.69 C[C@@H]1C=C[C@@H](O)[C@@H](C)O1 Amb28292131 [0,1,0,1,0,0|1,0,1]=4 2715 B9R1.69 C[C@@H]1O[C@H](C)C=C[C@H]1O Amb27980739 [0,1,0,1,0,0|1,0,1]=4 2716 B9R1.69 Cc1cc(Br)ccc1O Amb6344704 [0,1,0,1,0,0|0,0,2]=4 2717 B9R1.69 Cc1cc(Cl)ccc1O Amb3939553 [0,1,0,1,0,0|0,0,2]=4 2718 B9R1.69 Cc1cc(F)ccc1O Amb2688208 [0,1,0,1,0,0|0,0,2]=4 2719 B9R1.69 Cc1cc(I)ccc1O Amb3940781 [0,1,0,1,0,0|0,0,2]=4 2720 B9R1.69 Cc1cc(N)ccc1O Amb8854975 [0,1,0,1,0,0|0,0,2]=4 2721 B9R1.69 Cc1cc(O)ccc1O Amb4037056 [0,1,0,1,0,0|0,0,2]=4 2722 B9R1.69 Cc1cc(S)ccc1O Amb8393835 [0,1,0,1,0,0|0,0,2]=4 2723 B9R1.69 Cc1ccc(Br)cc1O Amb6297716 [0,1,0,1,0,0|0,0,2]=4 2724 B9R1.69 Cc1ccc(C)c(O)c1 Amb3939544 [0,1,0,1,0,0|0,0,2]=4 2725 B9R1.69 Cc1ccc(Cl)cc1O Amb2686224 [0,1,0,1,0,0|0,0,2]=4 2726 B9R1.69 Cc1ccc(F)cc1O Amb2688210 [0,1,0,1,0,0|0,0,2]=4 2727 B9R1.69 Cc1ccc(I)cc1O Amb20623185 [0,1,0,1,0,0|0,0,2]=4 2728 B9R1.69 Cc1ccc(N)cc1O Amb3940727 [0,1,0,1,0,0|0,0,2]=4 2729 B9R1.69 Cc1ccc(N)cc1O Amb8629332 [0,1,0,1,0,0|0,0,2]=4 2730 B9R1.69 Cc1ccc(O)c(C)c1 Amb3939543 [0,1,0,1,0,0|0,0,2]=4 2731 B9R1.69 Cc1ccc(O)cc1O Amb9871491 [0,1,0,1,0,0|0,0,2]=4 2732 B9R1.69 Cc1ccc(S)cc1O Amb26338323 [0,1,0,1,0,0|0,0,2]=4 2733 B9R1.69 O=C1C=CC(O)C(O)C1 Amb27984020 [0,1,0,1,0,0|1,0,1]=4 2734 B9R1.69 O=C1C=CC(O)[C@H](O)C1 Amb27836776 [0,1,0,1,0,0|1,0,1]=4 2735 B9R1.73 CCNC(=O)C1=CCC1 Amb27197334 [0,1,0,1,0,0|2,0,0]=4 2736 B9R1.73 CCOC(=O)C1=CCC1 Amb25317027 [0,1,0,1,0,0|2,0,0]=4 2737 B9R1.75 CCOC(=O)C=C1CC1 Amb22495632 [0,1,0,1,0,0|2,0,0]=4 2738 B9R1.75 C\C=C\C(=O)C=C1CC1 Amb27838815 [0,1,0,1,0,0|1,0,1]=4 2739 B9R1.134 CC1(CCO)C=CCC1 Amb27978216 [0,1,0,1,0,0|0,0,2]=4 2740 B9R1.5 CC1=CC=CCCC1=O Amb27803075 [0,1,0,1,0,0|0,0,2]=4 2741 B9R1.5 CC1=CCC=CCC1O Amb27653215 [0,1,0,1,0,0|0,0,2]=4 2742 B9R1.5 CC1=CCCCCC1O Amb27184844 [0,1,0,1,0,0|0,0,2]=4 2743 B9R1.5 CC1C=CC=CCC1=O Amb27206986 [0,1,0,1,0,0|0,0,1]=3 2744 B9R1.5 CC1CCCC=CC1=O Amb27838624 [0,1,0,1,0,0|1,0,1]=4 2745 B9R1.5 C[C@H]1C=CCCC[C@@H]1O Amb27852529 [0,1,0,1,0,0|0,0,2]=4 2746 B9R1.5 NC1CCCC=CC1O Amb27209173 [0,1,0,1,0,0|0,0,2]=4 2747 B9R1.5 O=C1C=CCCCC1O Amb27838742 [0,1,0,1,0,0|0,0,1]=3 2748 B9R1.5 OC1CCCCC=C1Br Amb27604372 [0,1,0,1,0,0|0,0,2]=4 2749 B9R1.5 OC1CCCCC=C1Cl Amb28185035 [0,1,0,1,0,0|0,0,2]=4 2750 B9R1.5 O[C@@H]1C=CCCC[C@H]1O Amb27184263 [0,1,0,1,0,0|0,0,2]=4 2751 B9R1.5 O[C@@H]1CC=CCC[C@H]1O Amb27873382 [0,1,0,1,0,0|0,0,2]=4 2752 B9R1.5 O[C@H]1C=CCC=C[C@H]1O Amb28064031 [0,1,0,1,0,0|1,0,0]=3 2753 B9R1.5 O[C@H]1C=CCCC[C@@H]1O Amb28428672 [0,1,0,1,0,0|0,0,2]=4 2754 B9R1.14 BrCc1ccsc1CBr Amb25735651 [0,1,0,1,0,0|2,0,0]=4 2755 B9R1.14 BrCc1cscc1CBr Amb27830609 [0,1,0,1,0,0|2,0,0]=4 2756 B9R1.14 C#Cc1sccc1CC Amb24518836 [0,1,0,1,0,0|1,0,1]=4 2757 B9R1.14 C#Cc1sccc1CO Amb28207228 [0,1,0,1,0,0|0,0,2]=4 2758 B9R1.14 C=Cc1sccc1CC Amb32729142 [0,1,0,1,0,0|1,0,1]=4 2759 B9R1.14 C=Cn1cccc1CC Amb28249845 [0,1,0,1,0,0|1,0,1]=4 2760 B9R1.14 CCC1=C(CO)CCC1 Amb27978212 [0,1,0,1,0,0|0,0,2]=4 2761 B9R1.14 CCC1CCC=C1CO Amb28049264 [0,1,0,1,0,0|0,0,2]=4 2762 B9R1.14 CCc1cccn1CC Amb27843474 [0,1,0,1,0,0|1,0,0]=3 2763 B9R1.14 CCc1ccnn1CC Amb6890654 [0,1,0,1,0,0|2,0,0]=4 2764 B9R1.14 CCc1ccoc1C#N Amb33188883 [0,1,0,1,0,0|1,0,1]=4 2765 B9R1.14 CCc1ccoc1C=O Amb18139773 [0,1,0,1,0,0|0,0,2]=4 2766 B9R1.14 CCc1ccoc1CN Amb29860301 [0,1,0,1,0,0|1,0,0]=3 2767 B9R1.14 CCc1ccoc1CS Amb28292958 [0,1,0,1,0,0|0,1,0]=3 2768 B9R1.14 CCc1ccsc1C#N Amb27838592 [0,1,0,1,0,0|1,0,1]=4 2769 B9R1.14 CCc1ccsc1CBr Amb27595243 [0,1,0,1,0,0|1,0,0]=3 2770 B9R1.14 CCc1ccsc1CCl Amb25686979 [0,1,0,1,0,0|1,0,0]=3 2771 B9R1.14 CCc1ccsc1CN Amb18954316 [0,1,0,1,0,0|1,0,0]=3 2772 B9R1.14 CCc1ccsc1CO Amb24352853 [0,1,0,1,0,0|0,0,0]=2 2773 B9R1.14 CCc1ccsc1CS Amb27186319 [0,1,0,1,0,0|0,1,0]=3 2774 B9R1.14 CCc1cocc1C=O Amb18681114 [0,1,0,1,0,0|0,0,2]=4 2775 B9R1.14 CCc1cscc1C#N Amb33457252 [0,1,0,1,0,0|1,0,1]=4 2776 B9R1.14 CCc1cscc1C=O Amb18680899 [0,1,0,1,0,0|0,0,2]=4 2777 B9R1.14 CCc1cscc1CN Amb33299247 [0,1,0,1,0,0|1,0,0]=3 2778 B9R1.14 CCc1cscc1CN Amb33456996 [0,1,0,1,0,0|1,0,0]=3 2779 B9R1.14 CCc1cscc1CS Amb20528453 [0,1,0,1,0,0|0,1,0]=3 2780 B9R1.14 CCc1cscc1OC Amb27246576 [0,1,0,1,0,0|1,0,1]=4 2781 B9R1.14 CCc1ncoc1CN Amb18832747 [0,1,0,1,0,0|2,0,0]=4 2782 B9R1.14 CCc1nocc1CCl Amb25122102 [0,1,0,1,0,0|2,0,0]=4 2783 B9R1.14 CCc1nocc1CN Amb18832754 [0,1,0,1,0,0|2,0,0]=4 2784 B9R1.14 CCc1nocc1CO Amb25172647 [0,1,0,1,0,0|1,0,0]=3 2785 B9R1.14 CCc1nonc1CO Amb26351227 [0,1,0,1,0,0|2,0,0]=4 2786 B9R1.14 CCc1nscc1CO Amb27184527 [0,1,0,1,0,0|1,0,0]=3 2787 B9R1.14 CCc1occc1C=O Amb18832921 [0,1,0,1,0,0|0,0,2]=4 2788 B9R1.14 CCc1occc1CO Amb27444076 [0,1,0,1,0,0|0,0,0]=2 2789 B9R1.14 CCc1occc1CS Amb27862619 [0,1,0,1,0,0|0,1,0]=3 2790 B9R1.14 CCc1occc1SC Amb27795113 [0,1,0,1,0,0|2,0,0]=4 2791 B9R1.14 CCc1ocnc1CO Amb28366815 [0,1,0,1,0,0|1,0,0]=3 2792 B9R1.14 CCc1oncc1CO Amb24417162 [0,1,0,1,0,0|1,0,0]=3 2793 B9R1.14 CCc1sccc1C=O Amb25868889 [0,1,0,1,0,0|0,0,2]=4 2794 B9R1.14 CCc1sccc1CO Amb27752318 [0,1,0,1,0,0|0,0,0]=2 2795 B9R1.14 CCn1cccc1C#N Amb18124278 [0,1,0,1,0,0|1,0,1]=4 2796 B9R1.14 CCn1cccc1C=O Amb33531562 [0,1,0,1,0,0|0,0,2]=4 2797 B9R1.14 CCn1cccc1CBr Amb22270986 [0,1,0,1,0,0|1,0,0]=3 2798 B9R1.14 CCn1cccc1CN Amb18251089 [0,1,0,1,0,0|1,0,0]=3 2799 B9R1.14 CCn1cccc1CO Amb837266 [0,1,0,1,0,0|0,0,0]=2 2800 B9R1.14 CCn1cccc1CS Amb22270990 [0,1,0,1,0,0|0,1,0]=3 2801 B9R1.14 CCn1cccc1C[O-] Amb22411416 [0,1,0,1,0,0|0,0,1]=3 2802 B9R1.14 CCn1cccc1C[O-] Amb32411914 [0,1,0,1,0,0|0,0,1]=3 2803 B9R1.14 CCn1ccnc1CBr Amb22271011 [0,1,0,1,0,0|2,0,0]=4 2804 B9R1.14 CCn1ccnc1CBr Amb32645743 [0,1,0,1,0,0|2,0,0]=4 2805 B9R1.14 CCn1ccnc1CCl Amb13952564 [0,1,0,1,0,0|2,0,0]=4 2806 B9R1.14 CCn1ccnc1CCl Amb2797430 [0,1,0,1,0,0|2,0,0]=4 2807 B9R1.14 CCn1ccnc1CI Amb22271012 [0,1,0,1,0,0|2,0,0]=4 2808 B9R1.14 CCn1ccnc1CN Amb21959843 [0,1,0,1,0,0|2,0,0]=4 2809 B9R1.14 CCn1ccnc1CN Amb2797428 [0,1,0,1,0,0|2,0,0]=4 2810 B9R1.14 CCn1ccnc1CO Amb7093337 [0,1,0,1,0,0|1,0,0]=3 2811 B9R1.14 CCn1ccnc1CS Amb22271015 [0,1,0,1,0,0|1,1,0]=4 2812 B9R1.14 CCn1cncc1CBr Amb24677627 [0,1,0,1,0,0|2,0,0]=4 2813 B9R1.14 CCn1cncc1CBr Amb33189268 [0,1,0,1,0,0|2,0,0]=4 2814 B9R1.14 CCn1cncc1CCl Amb10607769 [0,1,0,1,0,0|2,0,0]=4 2815 B9R1.14 CCn1cncc1CCl Amb22586990 [0,1,0,1,0,0|2,0,0]=4 2816 B9R1.14 CCn1cncc1CN Amb10607678 [0,1,0,1,0,0|2,0,0]=4 2817 B9R1.14 CCn1cncc1CN Amb22586953 [0,1,0,1,0,0|2,0,0]=4 2818 B9R1.14 CCn1cncc1CO Amb8503417 [0,1,0,1,0,0|1,0,0]=3 2819 B9R1.14 CCn1cncc1CS Amb26366543 [0,1,0,1,0,0|1,1,0]=4 2820 B9R1.14 CCn1cnnc1CO Amb25887243 [0,1,0,1,0,0|2,0,0]=4 2821 B9R1.14 CCn1nccc1CBr Amb25109229 [0,1,0,1,0,0|2,0,0]=4 2822 B9R1.14 CCn1nccc1CCl Amb21961656 [0,1,0,1,0,0|2,0,0]=4 2823 B9R1.14 CCn1nccc1CCl Amb33543889 [0,1,0,1,0,0|2,0,0]=4 2824 B9R1.14 CCn1nccc1CN Amb1945676 [0,1,0,1,0,0|2,0,0]=4 2825 B9R1.14 CCn1nccc1CN Amb22280452 [0,1,0,1,0,0|2,0,0]=4 2826 B9R1.14 CCn1nccc1CO Amb6890431 [0,1,0,1,0,0|1,0,0]=3 2827 B9R1.14 CCn1nccc1CS Amb25126445 [0,1,0,1,0,0|1,1,0]=4 2828 B9R1.14 CCn1ncnc1CO Amb7990130 [0,1,0,1,0,0|2,0,0]=4 2829 B9R1.14 CCn1nncc1CO Amb17537579 [0,1,0,1,0,0|2,0,0]=4 2830 B9R1.14 COC1C=COC1CO Amb27755993 [0,1,0,1,0,0|1,0,1]=4 2831 B9R1.14 COc1ccoc1CS Amb25090900 [0,1,0,1,0,0|1,1,0]=4 2832 B9R1.14 COc1ccsc1CN Amb9677583 [0,1,0,1,0,0|2,0,0]=4 2833 B9R1.14 COc1ccsc1CO Amb16231069 [0,1,0,1,0,0|1,0,0]=3 2834 B9R1.14 COc1cscc1CBr Amb25067402 [0,1,0,1,0,0|2,0,0]=4 2835 B9R1.14 COc1cscc1CN Amb22642016 [0,1,0,1,0,0|2,0,0]=4 2836 B9R1.14 COc1sccc1CO Amb27422738 [0,1,0,1,0,0|1,0,0]=3 2837 B9R1.14 CSc1nccn1CO Amb28315520 [0,1,0,1,0,0|2,0,0]=4 2838 B9R1.14 C\C=C1\OC=CC1CO Amb28315503 [0,1,0,1,0,0|0,0,2]=4 2839 B9R1.14 ClCc1cscc1CCl Amb27627265 [0,1,0,1,0,0|2,0,0]=4 2840 B9R1.14 N#Cc1ccsc1CO Amb24685120 [0,1,0,1,0,0|1,0,1]=4 2841 B9R1.14 NCc1ccsc1CO Amb32759351 [0,1,0,1,0,0|1,0,0]=3 2842 B9R1.14 O=Cc1ccsc1CO Amb24665662 [0,1,0,1,0,0|1,0,1]=4 2843 B9R1.14 O=Cc1cocc1CO Amb2610310 [0,1,0,1,0,0|1,0,1]=4 2844 B9R1.14 OC[C@H]1C=CC[C@@H]1CO Amb27206819 [0,1,0,1,0,0|0,0,2]=4 2845 B9R1.14 OCc1ccoc1CO Amb25226420 [0,1,0,1,0,0|1,0,0]=3 2846 B9R1.14 OCc1ccsc1CO Amb2236395 [0,1,0,1,0,0|1,0,0]=3 2847 B9R1.14 OCc1cocc1CO Amb23589212 [0,1,0,1,0,0|1,0,0]=3 2848 B9R1.14 OCc1cscc1CO Amb27662570 [0,1,0,1,0,0|1,0,0]=3 2849 B9R1.14 OCc1nccn1CO Amb27167644 [0,1,0,1,0,0|2,0,0]=4 2850 B9R1.14 OCc1ncsc1CO Amb22749254 [0,1,0,1,0,0|2,0,0]=4 2851 B9R1.39 CC1=C(C#CCO)CC1 Amb28453484 [0,1,0,1,0,0|0,0,2]=4 2852 B9R1.83 CCC\C=C\CC1CO1 Amb33424832 [0,1,0,1,0,0|0,0,2]=4 2853 B9R1.83 COCC\C=C\C1CC1 Amb22365293 [0,1,0,1,0,0|0,0,2]=4 2854 B9R1.83 OCCCCC=C1CC1 Amb25889566 [0,1,0,1,0,0|0,0,2]=4 2855 B9R1.83 OC\C=C\C#CC1CC1 Amb28207144 [0,1,0,1,0,0|0,0,2]=4 2856 B9R1.89 BrCC1=CC=CC=CC1 Amb28137481 [0,1,0,1,0,0|1,0,1]=4 2857 B9R1.89 BrCC1OCC=CCO1 Amb22226798 [0,1,0,1,0,0|1,0,1]=4 2858 B9R1.89 COC1=CC=CC=CC1 Amb25887191 [0,1,0,1,0,0|0,0,2]=4 2859 B9R1.89 NCC1C=CC=CC=C1 Amb24567699 [0,1,0,1,0,0|1,0,1]=4 2860 B9R1.89 OCC1=CCC=CCC1 Amb28315414 [0,1,0,1,0,0|0,0,0]=2 2861 B9R1.89 OCC1=CCCCCC1 Amb27424682 [0,1,0,1,0,0|0,0,2]=4 2862 B9R1.89 OCC1C=CCCCC1 Amb27662352 [0,1,0,1,0,0|0,0,2]=4 2863 B9R1.89 OCC1CCC=CCC1 Amb25100187 [0,1,0,1,0,0|0,0,2]=4 2864 B9R1.89 OC[C@@H]1C=CCC=CC1 Amb27418283 [0,1,0,1,0,0|0,0,2]=4 2865 B9R1.89 OC[C@H]1C=CCC=CC1 Amb27653026 [0,1,0,1,0,0|0,0,2]=4 2866 B9R1.103 C1=CCC=CCC=CC1 Amb22356836 [0,1,0,1,0,0|1,0,1]=4 2867 B9R1.103 C1=CCOCCCCC1 Amb29838311 [0,1,0,1,0,0|0,0,2]=4 2868 B9R1.1 CC1=CC=C(CO)SS1 Amb27843903 [0,1,0,1,0,0|2,0,0]=4 2869 B9R1.1 CC1=CCC(CO)CC1 Amb2699906 [0,1,0,1,0,0|0,0,2]=4 2870 B9R1.1 CCC1=CNC(=O)C=C1 Amb19889888 [0,1,0,1,0,0|2,0,0]=4 2871 B9R1.1 CCC1=NNC(=O)C=C1 Amb27945358 [0,1,0,1,0,0|2,0,0]=4 2872 B9R1.1 CCC1=NNC(=S)C=C1 Amb35707045 [0,1,0,1,0,0|2,0,0]=4 2873 B9R1.1 CCC1C=CC(=O)CC1 Amb26870913 [0,1,0,1,0,0|1,0,1]=4 2874 B9R1.1 CCc1ccc(Br)cc1 Amb3939114 [0,1,0,1,0,0|1,0,1]=4 2875 B9R1.1 CCc1ccc(Br)cc1 Amb9787458 [0,1,0,1,0,0|1,0,1]=4 2876 B9R1.1 CCc1ccc(Br)cn1 Amb19957826 [0,1,0,1,0,0|1,0,1]=4 2877 B9R1.1 CCc1ccc(Br)nc1 Amb10600529 [0,1,0,1,0,0|2,0,0]=4 2878 B9R1.1 CCc1ccc(Br)nn1 Amb10599692 [0,1,0,1,0,0|2,0,0]=4 2879 B9R1.1 CCc1ccc(C)nc1 Amb2609965 [0,1,0,1,0,0|2,0,0]=4 2880 B9R1.1 CCc1ccc(Cl)cc1 Amb17674113 [0,1,0,1,0,0|1,0,1]=4 2881 B9R1.1 CCc1ccc(Cl)cn1 Amb10600804 [0,1,0,1,0,0|1,0,1]=4 2882 B9R1.1 CCc1ccc(Cl)nc1 Amb19516432 [0,1,0,1,0,0|2,0,0]=4 2883 B9R1.1 CCc1ccc(Cl)nn1 Amb22754020 [0,1,0,1,0,0|2,0,0]=4 2884 B9R1.1 CCc1ccc(F)cc1 Amb2687851 [0,1,0,1,0,0|1,0,1]=4 2885 B9R1.1 CCc1ccc(F)cn1 Amb23402698 [0,1,0,1,0,0|1,0,1]=4 2886 B9R1.1 CCc1ccc(F)nc1 Amb28239504 [0,1,0,1,0,0|2,0,0]=4 2887 B9R1.1 CCc1ccc(I)cc1 Amb8514902 [0,1,0,1,0,0|1,0,1]=4 2888 B9R1.1 CCc1ccc(I)nc1 Amb24436572 [0,1,0,1,0,0|2,0,0]=4 2889 B9R1.1 CCc1ccc(N)cc1 Amb2792820 [0,1,0,1,0,0|1,0,1]=4 2890 B9R1.1 CCc1ccc(N)cn1 Amb10600806 [0,1,0,1,0,0|1,0,1]=4 2891 B9R1.1 CCc1ccc(N)nc1 Amb10600531 [0,1,0,1,0,0|2,0,0]=4 2892 B9R1.1 CCc1ccc(N)nn1 Amb10599694 [0,1,0,1,0,0|2,0,0]=4 2893 B9R1.1 CCc1ccc(O)cc1 Amb2227602 [0,1,0,1,0,0|1,0,1]=4 2894 B9R1.1 CCc1ccc(O)cn1 Amb10573735 [0,1,0,1,0,0|1,0,1]=4 2895 B9R1.1 CCc1ccc(O)nc1 Amb10600532 [0,1,0,1,0,0|2,0,0]=4 2896 B9R1.1 CCc1ccc(S)cc1 Amb2687959 [0,1,0,1,0,0|1,0,1]=4 2897 B9R1.1 CN1CC=C(CO)CC1 Amb22754040 [0,1,0,1,0,0|1,0,1]=4 2898 B9R1.1 CN1CC=C(CO)CC1 Amb32662654 [0,1,0,1,0,0|1,0,1]=4 2899 B9R1.1 COC1C=CC(=O)CO1 Amb24713481 [0,1,0,1,0,0|1,0,1]=4 2900 B9R1.1 CO[C@@H]1C=CC(=O)CO1 Amb27265732 [0,1,0,1,0,0|1,0,1]=4 2901 B9R1.1 Cc1ccc(CO)cc1 Amb6705746 [0,1,0,1,0,0|0,0,2]=4 2902 B9R1.1 Cc1ccc(CO)cn1 Amb33550507 [0,1,0,1,0,0|1,0,1]=4 2903 B9R1.1 Cc1ccc(CO)nc1 Amb20248030 [0,1,0,1,0,0|1,0,1]=4 2904 B9R1.1 Cc1ccc(CO)nc1 Amb32663099 [0,1,0,1,0,0|1,0,1]=4 2905 B9R1.1 Cc1ccc(CO)nn1 Amb22002148 [0,1,0,1,0,0|2,0,0]=4 2906 B9R1.1 N[C@@H]1C=C[C@H](CO)CC1 Amb24649717 [0,1,0,1,0,0|0,0,2]=4 2907 B9R1.1 N[C@H]1C=C[C@@H](CO)CC1 Amb24443345 [0,1,0,1,0,0|0,0,2]=4 2908 B9R1.1 Nc1ccc(CO)cc1 Amb4605845 [0,1,0,1,0,0|0,0,2]=4 2909 B9R1.1 Nc1ccc(CO)cn1 Amb2699139 [0,1,0,1,0,0|1,0,1]=4 2910 B9R1.1 Nc1ccc(CO)nc1 Amb8386685 [0,1,0,1,0,0|1,0,1]=4 2911 B9R1.1 Nc1ccc(CO)nn1 Amb27440764 [0,1,0,1,0,0|2,0,0]=4 2912 B9R1.1 Nc1ccc(CO)nn1 Amb30585184 [0,1,0,1,0,0|2,0,0]=4 2913 B9R1.1 O=C1C=CC(CO)=CN1 Amb20243253 [0,1,0,1,0,0|1,0,1]=4 2914 B9R1.1 O=C1C=CC(CO)=CO1 Amb25835811 [0,1,0,1,0,0|1,0,1]=4 2915 B9R1.1 O=C1C=CC(CO)=NN1 Amb18848567 [0,1,0,1,0,0|2,0,0]=4 2916 B9R1.1 O=C1C=C[C@@H](CO)CC1 Amb27838659 [0,1,0,1,0,0|0,0,1]=3 2917 B9R1.1 O=C1CC=C(CO)CC1 Amb28253672 [0,1,0,1,0,0|0,0,1]=3 2918 B9R1.1 OCC1=CCC(O)CC1 Amb28206504 [0,1,0,1,0,0|0,0,2]=4 2919 B9R1.1 OCC1CC=C(O)CC1 Amb27465669 [0,1,0,1,0,0|0,0,2]=4 2920 B9R1.1 OCc1ccc(Br)cc1 Amb3939087 [0,1,0,1,0,0|0,0,2]=4 2921 B9R1.1 OCc1ccc(Br)cn1 Amb20241980 [0,1,0,1,0,0|1,0,1]=4 2922 B9R1.1 OCc1ccc(Br)cn1 Amb2725040 [0,1,0,1,0,0|1,0,1]=4 2923 B9R1.1 OCc1ccc(Br)nc1 Amb8396845 [0,1,0,1,0,0|1,0,1]=4 2924 B9R1.1 OCc1ccc(Cl)cc1 Amb837320 [0,1,0,1,0,0|0,0,2]=4 2925 B9R1.1 OCc1ccc(Cl)cn1 Amb10975423 [0,1,0,1,0,0|1,0,1]=4 2926 B9R1.1 OCc1ccc(Cl)nc1 Amb3428032 [0,1,0,1,0,0|1,0,1]=4 2927 B9R1.1 OCc1ccc(Cl)nn1 Amb21857536 [0,1,0,1,0,0|2,0,0]=4 2928 B9R1.1 OCc1ccc(Cl)nn1 Amb32990138 [0,1,0,1,0,0|2,0,0]=4 2929 B9R1.1 OCc1ccc(F)cc1 Amb837490 [0,1,0,1,0,0|0,0,2]=4 2930 B9R1.1 OCc1ccc(F)cn1 Amb6308297 [0,1,0,1,0,0|1,0,1]=4 2931 B9R1.1 OCc1ccc(F)nc1 Amb8394588 [0,1,0,1,0,0|1,0,1]=4 2932 B9R1.1 OCc1ccc(I)cc1 Amb837382 [0,1,0,1,0,0|0,0,2]=4 2933 B9R1.1 OCc1ccc(I)cn1 Amb23441249 [0,1,0,1,0,0|1,0,1]=4 2934 B9R1.1 OCc1ccc(I)nc1 Amb23446974 [0,1,0,1,0,0|1,0,1]=4 2935 B9R1.1 OCc1ccc(O)cc1 Amb6365572 [0,1,0,1,0,0|0,0,2]=4 2936 B9R1.1 OCc1ccc(O)cn1 Amb18642263 [0,1,0,1,0,0|1,0,1]=4 2937 B9R1.1 OCc1ccc(O)nc1 Amb8397234 [0,1,0,1,0,0|1,0,1]=4 2938 B9R1.1 OCc1ccc(S)cc1 Amb16192940 [0,1,0,1,0,0|0,0,2]=4 2939 B9R1.1 O\N=C1/C=CC(Cl)CC1 Amb27232636 [0,1,0,1,0,0|1,0,1]=4 2940 B9R1.3 C=C1C=CC[C@@H](O)[C@@H]1O Amb28248512 [0,1,0,1,0,0|1,0,1]=4 2941 B9R1.3 CC1=NC=CC(=O)C1O Amb22015135 [0,1,0,1,0,0|1,0,1]=4 2942 B9R1.3 CC1C=CCC(=O)C1C Amb28245024 [0,1,0,1,0,0|1,0,1]=4 2943 B9R1.3 CC1C=CCC(O)C1O Amb27756031 [0,1,0,1,0,0|0,0,2]=4 2944 B9R1.3 CC1CC=CC(=O)C1C Amb27838646 [0,1,0,1,0,0|1,0,1]=4 2945 B9R1.3 CC1CC=CC(O)C1O Amb27466712 [0,1,0,1,0,0|0,0,2]=4 2946 B9R1.3 CC1OC=CC(N)C1O Amb27965411 [0,1,0,1,0,0|1,0,1]=4 2947 B9R1.3 CN1C=NC=C(F)C1O Amb27267392 [0,1,0,1,0,0|2,0,0]=4 2948 B9R1.3 C[C@@H]1C(=O)C=CC[C@H]1C Amb28054028 [0,1,0,1,0,0|1,0,1]=4 2949 B9R1.3 C[C@@H]1C=CC[C@@H](O)[C@@H]1O Amb28127362 [0,1,0,1,0,0|0,0,2]=4 2950 B9R1.3 C[C@@H]1OC=C[C@@H](N)[C@H]1O Amb27439224 [0,1,0,1,0,0|1,0,1]=4 2951 B9R1.3 C[C@@H]1OC=C[C@@H](O)[C@H]1O Amb27650162 [0,1,0,1,0,0|1,0,1]=4 2952 B9R1.3 C[C@H]1C=CCC(=O)[C@H]1C Amb27441703 [0,1,0,1,0,0|1,0,1]=4 2953 B9R1.3 C[C@H]1C=CC[C@@H](O)[C@@H]1O Amb27197562 [0,1,0,1,0,0|0,0,2]=4 2954 B9R1.3 C[C@H]1CC=CC(=O)[C@H]1C Amb27441720 [0,1,0,1,0,0|1,0,1]=4 2955 B9R1.3 C[C@H]1OC=C[C@@H](O)[C@H]1O Amb27211078 [0,1,0,1,0,0|1,0,1]=4 2956 B9R1.3 C[C@H]1OC=C[C@H](N)[C@@H]1O Amb27621379 [0,1,0,1,0,0|1,0,1]=4 2957 B9R1.3 C[C@H]1OC=C[C@H](O)[C@@H]1O Amb27196693 [0,1,0,1,0,0|1,0,1]=4 2958 B9R1.3 C[C@H]1OC=C[C@H](O)[C@H]1O Amb27853565 [0,1,0,1,0,0|1,0,1]=4 2959 B9R1.3 Cc1c(N)cccc1O Amb3941508 [0,1,0,1,0,0|0,0,2]=4 2960 B9R1.3 Cc1c(O)cccc1Br Amb18129645 [0,1,0,1,0,0|0,0,2]=4 2961 B9R1.3 Cc1c(O)cccc1Cl Amb2686222 [0,1,0,1,0,0|0,0,2]=4 2962 B9R1.3 Cc1c(O)cccc1F Amb8393656 [0,1,0,1,0,0|0,0,2]=4 2963 B9R1.3 Cc1c(O)cccc1I Amb25063898 [0,1,0,1,0,0|0,0,2]=4 2964 B9R1.3 Cc1c(O)cccc1O Amb6297190 [0,1,0,1,0,0|0,0,2]=4 2965 B9R1.3 Cc1c(O)cccc1S Amb24378209 [0,1,0,1,0,0|0,0,2]=4 2966 B9R1.3 Cc1cccc(Br)c1O Amb18129656 [0,1,0,1,0,0|0,0,2]=4 2967 B9R1.3 Cc1cccc(C)c1O Amb2609019 [0,1,0,1,0,0|0,0,2]=4 2968 B9R1.3 Cc1cccc(Cl)c1O Amb2725440 [0,1,0,1,0,0|0,0,2]=4 2969 B9R1.3 Cc1cccc(F)c1O Amb2447539 [0,1,0,1,0,0|0,0,2]=4 2970 B9R1.3 Cc1cccc(I)c1O Amb27188957 [0,1,0,1,0,0|0,0,2]=4 2971 B9R1.3 Cc1cccc(N)c1O Amb1931716 [0,1,0,1,0,0|0,0,2]=4 2972 B9R1.3 Cc1cccc(N)c1O Amb22587115 [0,1,0,1,0,0|0,0,2]=4 2973 B9R1.3 Cc1cccc(O)c1C Amb2711008 [0,1,0,1,0,0|0,0,2]=4 2974 B9R1.3 Cc1cccc(O)c1O Amb1211946 [0,1,0,1,0,0|0,0,2]=4 2975 B9R1.3 Cc1cccc(S)c1O Amb28285870 [0,1,0,1,0,0|0,0,2]=4 2976 B9R1.11 C=C(CBr)c1ccco1 Amb33451440 [0,1,0,1,0,0|1,0,1]=4 2977 B9R1.11 C=C(CC)c1ccco1 Amb28119044 [0,1,0,1,0,0|0,0,1]=3 2978 B9R1.11 C=C(CC)c1cccs1 Amb27494295 [0,1,0,1,0,0|0,1,1]=4 2979 B9R1.11 C=C(CCl)c1ccco1 Amb28249972 [0,1,0,1,0,0|1,0,1]=4 2980 B9R1.11 C=C(CN)c1ccco1 Amb26971270 [0,1,0,1,0,0|1,0,1]=4 2981 B9R1.11 C=C(CO)c1cccs1 Amb27395559 [0,1,0,1,0,0|1,0,1]=4 2982 B9R1.11 C=C(CO)c1ccoc1 Amb8392419 [0,1,0,1,0,0|1,0,1]=4 2983 B9R1.11 CC(CO)=C1C=CC=C1 Amb27981717 [0,1,0,1,0,0|0,0,2]=4 2984 B9R1.11 CC(CO)C1=CCC=C1 Amb27981767 [0,1,0,1,0,0|0,0,2]=4 2985 B9R1.11 CCC(=O)C1=CCCC1 Amb23558951 [0,1,0,1,0,0|1,0,1]=4 2986 B9R1.11 CCC(=O)c1ccco1 Amb844124 [0,1,0,1,0,0|0,0,1]=3 2987 B9R1.11 CCC(=O)c1cccs1 Amb2690591 [0,1,0,1,0,0|0,1,1]=4 2988 B9R1.11 CCC(=O)c1ccoc1 Amb27196907 [0,1,0,1,0,0|2,0,0]=4 2989 B9R1.11 CCC(=O)c1ccsc1 Amb6298062 [0,1,0,1,0,0|2,0,0]=4 2990 B9R1.11 CCC(=O)c1cnco1 Amb33328540 [0,1,0,1,0,0|1,0,1]=4 2991 B9R1.11 CCC(Cl)c1ccco1 Amb17138399 [0,1,0,1,0,0|0,0,2]=4 2992 B9R1.11 CCC(N)c1ccco1 Amb17061211 [0,1,0,1,0,0|0,0,2]=4 2993 B9R1.11 CCC(N)c1ccco1 Amb35745739 [0,1,0,1,0,0|0,0,2]=4 2994 B9R1.11 CCC(N)c1ccno1 Amb18832755 [0,1,0,1,0,0|1,0,1]=4 2995 B9R1.11 CCC(O)c1ccco1 Amb17138369 [0,1,0,1,0,0|0,0,2]=4 2996 B9R1.11 CCC(O)c1ccno1 Amb27946779 [0,1,0,1,0,0|1,0,1]=4 2997 B9R1.11 CCC(S)c1ccco1 Amb27621419 [0,1,0,1,0,0|0,0,2]=4 2998 B9R1.11 CC[C@H](N)c1ccco1 Amb27946499 [0,1,0,1,0,0|0,0,2]=4 2999 B9R1.11 CC[C@H](O)c1ccco1 Amb27970619 [0,1,0,1,0,0|0,0,2]=4 3000 B9R1.11 CC[SiH](C)c1ccco1 Amb27849145 [0,1,0,1,0,0|0,1,1]=4 3001 B9R1.11 CNC(=O)c1ccco1 Amb2612183 [0,1,0,1,0,0|1,0,1]=4 3002 B9R1.11 COC(=O)C1=CCCO1 Amb27265911 [0,1,0,1,0,0|1,0,1]=4 3003 B9R1.11 COC(=O)C1C=CCO1 Amb28399993 [0,1,0,1,0,0|1,0,1]=4 3004 B9R1.11 COC(=O)c1ccco1 Amb4302709 [0,1,0,1,0,0|1,0,1]=4 3005 B9R1.11 COC(=O)c1ccno1 Amb4450531 [0,1,0,1,0,0|2,0,0]=4 3006 B9R1.11 C[C@@H](CO)C1=CCC=C1 Amb27959624 [0,1,0,1,0,0|0,0,2]=4 3007 B9R1.11 C\N=C(/Cl)c1ccco1 Amb30585147 [0,1,0,1,0,0|1,0,1]=4 3008 B9R1.11 C\N=C(\Cl)c1ccco1 Amb2371268 [0,1,0,1,0,0|1,0,1]=4 3009 B9R1.11 NCC(=O)C1=CCCO1 Amb25978766 [0,1,0,1,0,0|1,0,1]=4 3010 B9R1.11 NCC(=O)C1=COCC1 Amb27187902 [0,1,0,1,0,0|2,0,0]=4 3011 B9R1.11 NCC(=O)c1ccco1 Amb18642269 [0,1,0,1,0,0|1,0,1]=4 3012 B9R1.11 NCC(=O)c1ccco1 Amb19373982 [0,1,0,1,0,0|1,0,1]=4 3013 B9R1.11 O=C(CBr)c1ccco1 Amb2721798 [0,1,0,1,0,0|1,0,1]=4 3014 B9R1.11 O=C(CCl)c1ccco1 Amb17138398 [0,1,0,1,0,0|1,0,1]=4 3015 B9R1.11 O=C(CO)c1ccco1 Amb17689139 [0,1,0,1,0,0|1,0,1]=4 3016 B9R1.11 O=C(CO)c1cccs1 Amb25742219 [0,1,0,1,0,0|1,0,1]=4 3017 B9R1.11 O=C(NO)C1=CCCC1 Amb25178133 [0,1,0,1,0,0|1,0,1]=4 3018 B9R1.11 OCC(F)=C1CCCC1 Amb27852389 [0,1,0,1,0,0|0,0,2]=4 3019 B9R1.11 OCC(O)C1=CCCC1 Amb28206820 [0,1,0,1,0,0|0,0,2]=4 3020 B9R1.11 OC\C(F)=C1/CCNC1 Amb24529071 [0,1,0,1,0,0|1,0,1]=4 3021 B9R1.21 C#Cc1ccc(CC)o1 Amb27205080 [0,1,0,1,0,0|1,0,1]=4 3022 B9R1.21 C#Cc1ccc(CC)s1 Amb25789529 [0,1,0,1,0,0|1,0,1]=4 3023 B9R1.21 CCC1=COC(CO)C1 Amb27660962 [0,1,0,1,0,0|1,0,1]=4 3024 B9R1.21 CCc1cc(CN)co1 Amb29864682 [0,1,0,1,0,0|2,0,0]=4 3025 B9R1.21 CCc1cc(CN)cs1 Amb18908358 [0,1,0,1,0,0|2,0,0]=4 3026 B9R1.21 CCc1cc(CO)co1 Amb28399121 [0,1,0,1,0,0|1,0,0]=3 3027 B9R1.21 CCc1cc(CO)cs1 Amb17093897 [0,1,0,1,0,0|1,0,0]=3 3028 B9R1.21 CCc1cc(CO)no1 Amb24074422 [0,1,0,1,0,0|2,0,0]=4 3029 B9R1.21 CCc1cc(CO)on1 Amb7088959 [0,1,0,1,0,0|2,0,0]=4 3030 B9R1.21 CCc1cc(CO)sn1 Amb27441290 [0,1,0,1,0,0|2,0,0]=4 3031 B9R1.21 CCc1ccc(C#N)o1 Amb10574576 [0,1,0,1,0,0|1,0,1]=4 3032 B9R1.21 CCc1ccc(C#N)s1 Amb9781634 [0,1,0,1,0,0|1,0,1]=4 3033 B9R1.21 CCc1ccc(C=O)o1 Amb844097 [0,1,0,1,0,0|0,0,2]=4 3034 B9R1.21 CCc1ccc(C=O)s1 Amb2722496 [0,1,0,1,0,0|0,0,2]=4 3035 B9R1.21 CCc1ccc(CBr)s1 Amb27837525 [0,1,0,1,0,0|1,0,0]=3 3036 B9R1.21 CCc1ccc(CC)o1 Amb27221509 [0,1,0,1,0,0|1,0,0]=3 3037 B9R1.21 CCc1ccc(CCl)s1 Amb18797933 [0,1,0,1,0,0|1,0,0]=3 3038 B9R1.21 CCc1ccc(CI)s1 Amb27423501 [0,1,0,1,0,0|1,0,0]=3 3039 B9R1.21 CCc1ccc(CN)o1 Amb18960153 [0,1,0,1,0,0|1,0,0]=3 3040 B9R1.21 CCc1ccc(CN)s1 Amb6257247 [0,1,0,1,0,0|1,0,0]=3 3041 B9R1.21 CCc1ccc(CO)s1 Amb8846379 [0,1,0,1,0,0|0,0,0]=2 3042 B9R1.21 CCc1ccc(CS)o1 Amb24367663 [0,1,0,1,0,0|0,1,0]=3 3043 B9R1.21 CCc1ccc(CS)s1 Amb6257353 [0,1,0,1,0,0|0,1,0]=3 3044 B9R1.21 CCc1ccc(NC)o1 Amb27955653 [0,1,0,1,0,0|2,0,0]=4 3045 B9R1.21 CCc1ccc(OC)o1 Amb25229999 [0,1,0,1,0,0|2,0,0]=4 3046 B9R1.21 CCc1ccc(OC)s1 Amb25380674 [0,1,0,1,0,0|2,0,0]=4 3047 B9R1.21 CCc1cnc(CBr)o1 Amb32688052 [0,1,0,1,0,0|2,0,0]=4 3048 B9R1.21 CCc1cnc(CCl)o1 Amb19148906 [0,1,0,1,0,0|2,0,0]=4 3049 B9R1.21 CCc1cnc(CCl)s1 Amb18175841 [0,1,0,1,0,0|2,0,0]=4 3050 B9R1.21 CCc1cnc(CN)o1 Amb18832750 [0,1,0,1,0,0|2,0,0]=4 3051 B9R1.21 CCc1cnc(CN)s1 Amb5754065 [0,1,0,1,0,0|2,0,0]=4 3052 B9R1.21 CCc1cnc(CO)o1 Amb32685453 [0,1,0,1,0,0|1,0,0]=3 3053 B9R1.21 CCc1cnc(CO)s1 Amb24271105 [0,1,0,1,0,0|1,0,0]=3 3054 B9R1.21 CCc1cnc(CS)s1 Amb32788635 [0,1,0,1,0,0|1,1,0]=4 3055 B9R1.21 CCc1coc(CCl)n1 Amb25873791 [0,1,0,1,0,0|2,0,0]=4 3056 B9R1.21 CCc1coc(CS)c1 Amb27960882 [0,1,0,1,0,0|1,1,0]=4 3057 B9R1.21 CCc1csc(CC)n1 Amb28043161 [0,1,0,1,0,0|2,0,0]=4 3058 B9R1.21 CCc1csc(CCl)n1 Amb18177710 [0,1,0,1,0,0|2,0,0]=4 3059 B9R1.21 CCc1csc(CN)n1 Amb22586914 [0,1,0,1,0,0|2,0,0]=4 3060 B9R1.21 CCc1csc(CN)n1 Amb33529429 [0,1,0,1,0,0|2,0,0]=4 3061 B9R1.21 CCc1csc(CO)n1 Amb26420361 [0,1,0,1,0,0|1,0,0]=3 3062 B9R1.21 CCc1nc(CBr)co1 Amb32680024 [0,1,0,1,0,0|2,0,0]=4 3063 B9R1.21 CCc1nc(CBr)cs1 Amb27838520 [0,1,0,1,0,0|2,0,0]=4 3064 B9R1.21 CCc1nc(CCl)co1 Amb17399896 [0,1,0,1,0,0|2,0,0]=4 3065 B9R1.21 CCc1nc(CCl)cs1 Amb1113524 [0,1,0,1,0,0|2,0,0]=4 3066 B9R1.21 CCc1nc(CCl)cs1 Amb22587096 [0,1,0,1,0,0|2,0,0]=4 3067 B9R1.21 CCc1nc(CN)co1 Amb17399807 [0,1,0,1,0,0|2,0,0]=4 3068 B9R1.21 CCc1nc(CN)cs1 Amb22586915 [0,1,0,1,0,0|2,0,0]=4 3069 B9R1.21 CCc1nc(CN)cs1 Amb33527361 [0,1,0,1,0,0|2,0,0]=4 3070 B9R1.21 CCc1nc(CN)cs1 Amb33527602 [0,1,0,1,0,0|2,0,0]=4 3071 B9R1.21 CCc1nc(CO)co1 Amb27148238 [0,1,0,1,0,0|1,0,0]=3 3072 B9R1.21 CCc1nc(CO)cs1 Amb22587132 [0,1,0,1,0,0|1,0,0]=3 3073 B9R1.21 CCc1nc(CO)cs1 Amb33527360 [0,1,0,1,0,0|1,0,0]=3 3074 B9R1.21 CCc1nc(CO)no1 Amb10607633 [0,1,0,1,0,0|2,0,0]=4 3075 B9R1.21 CCc1nc(CS)cs1 Amb17108589 [0,1,0,1,0,0|1,1,0]=4 3076 B9R1.21 CCc1ncc(CBr)o1 Amb24669190 [0,1,0,1,0,0|2,0,0]=4 3077 B9R1.21 CCc1ncc(CCl)o1 Amb28120987 [0,1,0,1,0,0|2,0,0]=4 3078 B9R1.21 CCc1ncc(CCl)s1 Amb18256842 [0,1,0,1,0,0|2,0,0]=4 3079 B9R1.21 CCc1ncc(CCl)s1 Amb35789371 [0,1,0,1,0,0|2,0,0]=4 3080 B9R1.21 CCc1ncc(CN)o1 Amb17231843 [0,1,0,1,0,0|2,0,0]=4 3081 B9R1.21 CCc1ncc(CN)s1 Amb18951455 [0,1,0,1,0,0|2,0,0]=4 3082 B9R1.21 CCc1ncc(CO)o1 Amb26966503 [0,1,0,1,0,0|1,0,0]=3 3083 B9R1.21 CCc1ncc(CO)s1 Amb17514230 [0,1,0,1,0,0|1,0,0]=3 3084 B9R1.21 CCc1ncc(CS)s1 Amb18254571 [0,1,0,1,0,0|1,1,0]=4 3085 B9R1.21 CCc1nnc(CO)s1 Amb23555741 [0,1,0,1,0,0|2,0,0]=4 3086 B9R1.21 CCc1noc(CO)n1 Amb33531859 [0,1,0,1,0,0|2,0,0]=4 3087 B9R1.21 CCn1cc(CO)cn1 Amb1946160 [0,1,0,1,0,0|2,0,0]=4 3088 B9R1.21 CCn1ccc(CBr)n1 Amb24116383 [0,1,0,1,0,0|2,0,0]=4 3089 B9R1.21 CCn1ccc(CBr)n1 Amb24269203 [0,1,0,1,0,0|2,0,0]=4 3090 B9R1.21 CCn1ccc(CCl)n1 Amb22587486 [0,1,0,1,0,0|2,0,0]=4 3091 B9R1.21 CCn1ccc(CCl)n1 Amb6890926 [0,1,0,1,0,0|2,0,0]=4 3092 B9R1.21 CCn1ccc(CN)c1 Amb28423962 [0,1,0,1,0,0|2,0,0]=4 3093 B9R1.21 CCn1ccc(CN)c1 Amb33140989 [0,1,0,1,0,0|2,0,0]=4 3094 B9R1.21 CCn1ccc(CN)n1 Amb33542980 [0,1,0,1,0,0|2,0,0]=4 3095 B9R1.21 CCn1ccc(CO)c1 Amb27161033 [0,1,0,1,0,0|1,0,0]=3 3096 B9R1.21 CCn1ccc(CO)n1 Amb6891043 [0,1,0,1,0,0|1,0,0]=3 3097 B9R1.21 CCn1ccc(CS)c1 Amb32788662 [0,1,0,1,0,0|1,1,0]=4 3098 B9R1.21 CCn1ccc(CS)n1 Amb33146891 [0,1,0,1,0,0|1,1,0]=4 3099 B9R1.21 CCn1ncc(CO)n1 Amb23541011 [0,1,0,1,0,0|2,0,0]=4 3100 B9R1.21 CNc1nc(CO)cs1 Amb26555528 [0,1,0,1,0,0|2,0,0]=4 3101 B9R1.21 CNc1ncc(CO)s1 Amb25266898 [0,1,0,1,0,0|2,0,0]=4 3102 B9R1.21 COc1cc(CO)cs1 Amb27800819 [0,1,0,1,0,0|2,0,0]=4 3103 B9R1.21 COc1ccc(CBr)s1 Amb27956524 [0,1,0,1,0,0|2,0,0]=4 3104 B9R1.21 COc1ccc(CN)s1 Amb27187903 [0,1,0,1,0,0|2,0,0]=4 3105 B9R1.21 COc1ccc(CS)o1 Amb27867382 [0,1,0,1,0,0|1,1,0]=4 3106 B9R1.21 COc1csc(CO)c1 Amb23450202 [0,1,0,1,0,0|2,0,0]=4 3107 B9R1.21 COc1ncc(CO)s1 Amb2592103 [0,1,0,1,0,0|2,0,0]=4 3108 B9R1.21 CSc1ccc(CBr)s1 Amb27393588 [0,1,0,1,0,0|2,0,0]=4 3109 B9R1.21 CSc1ccc(CCl)s1 Amb28046800 [0,1,0,1,0,0|2,0,0]=4 3110 B9R1.21 CSc1ccc(CN)o1 Amb18908342 [0,1,0,1,0,0|2,0,0]=4 3111 B9R1.21 CSc1ccc(CN)o1 Amb31156141 [0,1,0,1,0,0|2,0,0]=4 3112 B9R1.21 CSc1ccc(CN)s1 Amb31156506 [0,1,0,1,0,0|2,0,0]=4 3113 B9R1.21 CSc1ccc(CN)s1 Amb7801185 [0,1,0,1,0,0|2,0,0]=4 3114 B9R1.21 CSc1ccc(CO)s1 Amb24364786 [0,1,0,1,0,0|1,0,0]=3 3115 B9R1.21 CSc1nc(CO)cs1 Amb27966117 [0,1,0,1,0,0|2,0,0]=4 3116 B9R1.21 CSc1ncc(CO)s1 Amb27842227 [0,1,0,1,0,0|2,0,0]=4 3117 B9R1.21 ClCc1ccc(CCl)s1 Amb22235042 [0,1,0,1,0,0|2,0,0]=4 3118 B9R1.21 N#Cc1ccc(CO)o1 Amb18642081 [0,1,0,1,0,0|1,0,1]=4 3119 B9R1.21 N#Cc1ccc(CO)s1 Amb22233914 [0,1,0,1,0,0|1,0,1]=4 3120 B9R1.21 NCc1cc(CO)cs1 Amb18202473 [0,1,0,1,0,0|2,0,0]=4 3121 B9R1.21 NCc1ccc(CN)o1 Amb17609504 [0,1,0,1,0,0|2,0,0]=4 3122 B9R1.21 NCc1ccc(CN)s1 Amb24545865 [0,1,0,1,0,0|2,0,0]=4 3123 B9R1.21 NCc1ccc(CO)o1 Amb33544862 [0,1,0,1,0,0|1,0,0]=3 3124 B9R1.21 NCc1ccc(CO)s1 Amb28061863 [0,1,0,1,0,0|1,0,0]=3 3125 B9R1.21 NCc1csc(CO)c1 Amb18202474 [0,1,0,1,0,0|2,0,0]=4 3126 B9R1.21 NCc1nc(CO)cs1 Amb18908383 [0,1,0,1,0,0|2,0,0]=4 3127 B9R1.21 NCc1nc(CO)cs1 Amb24271112 [0,1,0,1,0,0|2,0,0]=4 3128 B9R1.21 NCc1ncc(CO)s1 Amb27218504 [0,1,0,1,0,0|2,0,0]=4 3129 B9R1.21 O=CC1=CC=C(CO)C1 Amb28342387 [0,1,0,1,0,0|1,0,1]=4 3130 B9R1.21 O=Cc1ccc(CO)o1 Amb2715062 [0,1,0,1,0,0|1,0,1]=4 3131 B9R1.21 O=Cc1ccc(CO)s1 Amb18643874 [0,1,0,1,0,0|1,0,1]=4 3132 B9R1.21 OCc1ccc(CCl)o1 Amb27393617 [0,1,0,1,0,0|1,0,0]=3 3133 B9R1.21 OCc1ccc(CO)o1 Amb5494053 [0,1,0,1,0,0|1,0,0]=3 3134 B9R1.21 OCc1ccc(CO)s1 Amb22387630 [0,1,0,1,0,0|1,0,0]=3 3135 B9R1.21 OCc1ccc(CS)o1 Amb27480598 [0,1,0,1,0,0|1,0,0]=3 3136 B9R1.21 OCc1cnc(CBr)s1 Amb27174354 [0,1,0,1,0,0|2,0,0]=4 3137 B9R1.21 OCc1cnc(CCl)o1 Amb32685848 [0,1,0,1,0,0|2,0,0]=4 3138 B9R1.21 OCc1coc(CO)c1 Amb20248338 [0,1,0,1,0,0|2,0,0]=4 3139 B9R1.21 OCc1coc(CO)n1 Amb23590972 [0,1,0,1,0,0|2,0,0]=4 3140 B9R1.21 OCc1csc(CO)n1 Amb25074137 [0,1,0,1,0,0|2,0,0]=4 3141 B9R1.21 OCc1csc(CS)n1 Amb32788381 [0,1,0,1,0,0|2,0,0]=4 3142 B9R1.79 C\C(=C/C1CCC1)CO Amb27838424 [0,1,0,1,0,0|0,0,2]=4 3143 B9R1.99 CCC\C=C\C1(C)CO1 Amb33424825 [0,1,0,1,0,0|0,0,2]=4 3144 B9R1.118 CC1(CO)C=CCCC1 Amb28049165 [0,1,0,1,0,0|0,0,2]=4 3145 B9R1.118 NC1(CO)CC=CCC1 Amb29869963 [0,1,0,1,0,0|0,0,2]=4 3146 B9R1.118 OC[C@@]1(O)CC=CCC1 Amb28315551 [0,1,0,1,0,0|0,0,2]=4 3147 B9R1.132 CCC1=CNC(=O)C1C Amb28285251 [0,1,0,1,0,0|2,0,0]=4 3148 B9R1.132 CCc1ccc(F)n1C Amb24373276 [0,1,0,1,0,0|2,0,0]=4 3149 B9R1.132 CN1C(=S)NC=C1CO Amb20637276 [0,1,0,1,0,0|2,0,0]=4 3150 B9R1.132 CO[C@@H]1C=CC(=O)[C@H]1O Amb27844193 [0,1,0,1,0,0|1,0,1]=4 3151 B9R1.132 Cc1c(Br)csc1CO Amb26961495 [0,1,0,1,0,0|1,0,1]=4 3152 B9R1.132 Cc1ccc(CN)n1C Amb10531650 [0,1,0,1,0,0|2,0,0]=4 3153 B9R1.132 Cc1ccc(CN)n1C Amb1090454 [0,1,0,1,0,0|2,0,0]=4 3154 B9R1.132 Cc1ccc(C[NH3+])n1C Amb34916611 [0,1,0,1,0,0|2,0,0]=4 3155 B9R1.132 Cc1cnc(CO)n1C Amb24192760 [0,1,0,1,0,0|2,0,0]=4 3156 B9R1.132 Cc1ncc(CO)n1C Amb22009457 [0,1,0,1,0,0|2,0,0]=4 3157 B9R1.132 Cc1scc(CO)c1C Amb6753829 [0,1,0,1,0,0|1,0,1]=4 3158 B9R1.132 Cn1c(Br)cnc1CO Amb6751935 [0,1,0,1,0,0|2,0,0]=4 3159 B9R1.132 Cn1c(CO)cnc1Br Amb22495979 [0,1,0,1,0,0|2,0,0]=4 3160 B9R1.132 Cn1c(CO)cnc1Cl Amb25809022 [0,1,0,1,0,0|2,0,0]=4 3161 B9R1.132 Cn1c(CO)cnc1N Amb2699144 [0,1,0,1,0,0|2,0,0]=4 3162 B9R1.132 Cn1c(CO)cnc1S Amb2424532 [0,1,0,1,0,0|2,0,0]=4 3163 B9R1.132 Cn1c(Cl)ccc1CO Amb26549135 [0,1,0,1,0,0|1,0,0]=3 3164 B9R1.132 Cn1c(Cl)cnc1CO Amb13951698 [0,1,0,1,0,0|2,0,0]=4 3165 B9R1.132 Cn1c(Cl)cnc1CO Amb9287817 [0,1,0,1,0,0|2,0,0]=4 3166 B9R1.6 CC(Br)c1ccccc1 Amb5716854 [0,1,0,1,0,0|1,0,1]=4 3167 B9R1.6 CC(Br)c1ccccn1 Amb6770323 [0,1,0,1,0,0|1,0,1]=4 3168 B9R1.6 CC(Br)c1ccccn1 Amb8835436 [0,1,0,1,0,0|1,0,1]=4 3169 B9R1.6 CC(Br)c1cccnc1 Amb33552368 [0,1,0,1,0,0|2,0,0]=4 3170 B9R1.6 CC(Br)c1cccnc1 Amb8835401 [0,1,0,1,0,0|2,0,0]=4 3171 B9R1.6 CC(C)c1ccccc1 Amb2793016 [0,1,0,1,0,0|1,0,1]=4 3172 B9R1.6 CC(C)c1ccccc1 Amb33524021 [0,1,0,1,0,0|1,0,1]=4 3173 B9R1.6 CC(C)c1ccccn1 Amb8438962 [0,1,0,1,0,0|1,0,1]=4 3174 B9R1.6 CC(C)c1cccnc1 Amb24320774 [0,1,0,1,0,0|2,0,0]=4 3175 B9R1.6 CC(C)c1cccnn1 Amb26572070 [0,1,0,1,0,0|2,0,0]=4 3176 B9R1.6 CC(Cl)c1ccccc1 Amb5716855 [0,1,0,1,0,0|1,0,1]=4 3177 B9R1.6 CC(Cl)c1ccccn1 Amb10610197 [0,1,0,1,0,0|1,0,1]=4 3178 B9R1.6 CC(Cl)c1ccccn1 Amb9205056 [0,1,0,1,0,0|1,0,1]=4 3179 B9R1.6 CC(Cl)c1cccnc1 Amb13952205 [0,1,0,1,0,0|2,0,0]=4 3180 B9R1.6 CC(Cl)c1cccnc1 Amb9205037 [0,1,0,1,0,0|2,0,0]=4 3181 B9R1.6 CC(N)c1ccccc1 Amb5716844 [0,1,0,1,0,0|1,0,1]=4 3182 B9R1.6 CC(N)c1ccccn1 Amb1102610 [0,1,0,1,0,0|1,0,1]=4 3183 B9R1.6 CC(N)c1ccccn1 Amb22265614 [0,1,0,1,0,0|1,0,1]=4 3184 B9R1.6 CC(N)c1ccccn1 Amb24064899 [0,1,0,1,0,0|1,0,1]=4 3185 B9R1.6 CC(N)c1ccccn1 Amb31206895 [0,1,0,1,0,0|1,0,1]=4 3186 B9R1.6 CC(N)c1cccnc1 Amb1214297 [0,1,0,1,0,0|2,0,0]=4 3187 B9R1.6 CC(N)c1cccnc1 Amb22754521 [0,1,0,1,0,0|2,0,0]=4 3188 B9R1.6 CC(O)C1=CCCCC1 Amb25747240 [0,1,0,1,0,0|0,0,2]=4 3189 B9R1.6 CC(O)C1=CCCCO1 Amb25349292 [0,1,0,1,0,0|0,0,2]=4 3190 B9R1.6 CC(O)C1C=CCCC1 Amb22365214 [0,1,0,1,0,0|0,0,2]=4 3191 B9R1.6 CC(O)C1CC=CCC1 Amb26633109 [0,1,0,1,0,0|0,0,2]=4 3192 B9R1.6 CC(O)c1ccccc1 Amb3940114 [0,1,0,1,0,0|0,0,2]=4 3193 B9R1.6 CC(O)c1ccccn1 Amb32666055 [0,1,0,1,0,0|1,0,1]=4 3194 B9R1.6 CC(O)c1ccccn1 Amb9748230 [0,1,0,1,0,0|1,0,1]=4 3195 B9R1.6 CC(O)c1cccnc1 Amb9748268 [0,1,0,1,0,0|1,0,1]=4 3196 B9R1.6 CC(O)c1cccnn1 Amb26346035 [0,1,0,1,0,0|2,0,0]=4 3197 B9R1.6 CC(S)c1ccccc1 Amb6256013 [0,1,0,1,0,0|1,0,1]=4 3198 B9R1.6 CC(S)c1ccccn1 Amb9208044 [0,1,0,1,0,0|1,0,1]=4 3199 B9R1.6 CC(S)c1cccnc1 Amb9208030 [0,1,0,1,0,0|2,0,0]=4 3200 B9R1.6 C[C@@H](Br)c1ccccc1 Amb25055693 [0,1,0,1,0,0|1,0,1]=4 3201 B9R1.6 C[C@@H](N)c1ccccc1 Amb22168000 [0,1,0,1,0,0|1,0,1]=4 3202 B9R1.6 C[C@@H](N)c1ccccc1 Amb3940166 [0,1,0,1,0,0|1,0,1]=4 3203 B9R1.6 C[C@@H](N)c1ccccn1 Amb19514583 [0,1,0,1,0,0|1,0,1]=4 3204 B9R1.6 C[C@@H](N)c1ccccn1 Amb2695967 [0,1,0,1,0,0|1,0,1]=4 3205 B9R1.6 C[C@@H](N)c1ccccn1 Amb30526699 [0,1,0,1,0,0|1,0,1]=4 3206 B9R1.6 C[C@@H](N)c1cccnc1 Amb13951181 [0,1,0,1,0,0|2,0,0]=4 3207 B9R1.6 C[C@@H](N)c1cccnc1 Amb6893473 [0,1,0,1,0,0|2,0,0]=4 3208 B9R1.6 C[C@@H](O)C1=COCCC1 Amb33415677 [0,1,0,1,0,0|1,0,1]=4 3209 B9R1.6 C[C@@H](O)C1CC=CCC1 Amb33314942 [0,1,0,1,0,0|0,0,2]=4 3210 B9R1.6 C[C@@H](O)c1ccccc1 Amb6366772 [0,1,0,1,0,0|0,0,2]=4 3211 B9R1.6 C[C@@H](O)c1ccccn1 Amb24087444 [0,1,0,1,0,0|1,0,1]=4 3212 B9R1.6 C[C@@H](O)c1ccccn1 Amb4166327 [0,1,0,1,0,0|1,0,1]=4 3213 B9R1.6 C[C@@H](O)c1cccnc1 Amb6893471 [0,1,0,1,0,0|1,0,1]=4 3214 B9R1.6 C[C@@H](S)c1ccccc1 Amb28069838 [0,1,0,1,0,0|1,0,1]=4 3215 B9R1.6 C[C@H](Br)c1ccccn1 Amb28123940 [0,1,0,1,0,0|1,0,1]=4 3216 B9R1.6 C[C@H](Cl)c1ccccn1 Amb33068907 [0,1,0,1,0,0|1,0,1]=4 3217 B9R1.6 C[C@H](N)c1ccccc1 Amb2725550 [0,1,0,1,0,0|1,0,1]=4 3218 B9R1.6 C[C@H](N)c1ccccn1 Amb13951343 [0,1,0,1,0,0|1,0,1]=4 3219 B9R1.6 C[C@H](N)c1ccccn1 Amb33871554 [0,1,0,1,0,0|1,0,1]=4 3220 B9R1.6 C[C@H](N)c1ccccn1 Amb6893465 [0,1,0,1,0,0|1,0,1]=4 3221 B9R1.6 C[C@H](N)c1cccnc1 Amb30647445 [0,1,0,1,0,0|2,0,0]=4 3222 B9R1.6 C[C@H](N)c1cccnc1 Amb6893472 [0,1,0,1,0,0|2,0,0]=4 3223 B9R1.6 C[C@H](O)C1=COCCC1 Amb33415714 [0,1,0,1,0,0|1,0,1]=4 3224 B9R1.6 C[C@H](O)C1CC=CCC1 Amb33314845 [0,1,0,1,0,0|0,0,2]=4 3225 B9R1.6 C[C@H](O)c1ccccc1 Amb4021849 [0,1,0,1,0,0|0,0,2]=4 3226 B9R1.6 C[C@H](O)c1ccccn1 Amb30526838 [0,1,0,1,0,0|1,0,1]=4 3227 B9R1.6 C[C@H](O)c1cccnc1 Amb6893470 [0,1,0,1,0,0|1,0,1]=4 3228 B9R1.6 C[C@H](S)c1ccccc1 Amb25935694 [0,1,0,1,0,0|1,0,1]=4 3229 B9R1.6 O=C(O)C1=NC=CCC1 Amb26865460 [0,1,0,1,0,0|1,0,1]=4 3230 B9R1.6 O[C@@H](Br)c1ccccc1 Amb27233551 [0,1,0,1,0,0|0,0,2]=4 3231 B9R1.6 O[C@@H](Cl)c1ccccc1 Amb28119929 [0,1,0,1,0,0|0,0,2]=4 3232 B9R1.13 CC(=O)\C=C1/C=CCO1 Amb27186200 [0,1,0,1,0,0|0,0,1]=3 3233 B9R1.13 CC(Br)Cc1ccco1 Amb25074648 [0,1,0,1,0,0|0,0,2]=4 3234 B9R1.13 CC(C)Cc1ccco1 Amb2592659 [0,1,0,1,0,0|0,0,2]=4 3235 B9R1.13 CC(C)Oc1ccco1 Amb27451310 [0,1,0,1,0,0|1,0,1]=4 3236 B9R1.13 CC(C)Sc1ccco1 Amb28255929 [0,1,0,1,0,0|1,0,1]=4 3237 B9R1.13 CC(Cl)Cc1ccco1 Amb27472699 [0,1,0,1,0,0|0,0,2]=4 3238 B9R1.13 CC(N)Cc1ccco1 Amb534653 [0,1,0,1,0,0|0,0,2]=4 3239 B9R1.13 CC(N)Cc1ccno1 Amb27438725 [0,1,0,1,0,0|1,0,1]=4 3240 B9R1.13 CC(O)CC1=CCCC1 Amb28345352 [0,1,0,1,0,0|0,0,2]=4 3241 B9R1.13 CC(O)CC1C=CCO1 Amb27191727 [0,1,0,1,0,0|0,0,2]=4 3242 B9R1.13 CC(O)Cc1ccco1 Amb22748663 [0,1,0,1,0,0|0,0,2]=4 3243 B9R1.13 CC(O)Cc1ccno1 Amb24747618 [0,1,0,1,0,0|1,0,1]=4 3244 B9R1.13 CC(O)\C=C1\CCSC1 Amb27657381 [0,1,0,1,0,0|1,0,1]=4 3245 B9R1.13 CC(S)Cc1ccco1 Amb25132353 [0,1,0,1,0,0|0,0,2]=4 3246 B9R1.13 C[C@@H](N)Cc1ccco1 Amb33360956 [0,1,0,1,0,0|0,0,2]=4 3247 B9R1.13 C[C@@H](N)Cc1ccno1 Amb33230097 [0,1,0,1,0,0|1,0,1]=4 3248 B9R1.13 C[C@@H](O)CC1=CCCC1 Amb28315475 [0,1,0,1,0,0|0,0,2]=4 3249 B9R1.13 C[C@@H](O)C[C@@H]1C=CCO1 Amb28346422 [0,1,0,1,0,0|0,0,2]=4 3250 B9R1.13 C[C@@H](O)Cc1ccco1 Amb24433279 [0,1,0,1,0,0|0,0,2]=4 3251 B9R1.13 C[C@@H](O)Cc1ccno1 Amb28205802 [0,1,0,1,0,0|1,0,1]=4 3252 B9R1.13 C[C@H](N)Cc1ccco1 Amb27831576 [0,1,0,1,0,0|0,0,2]=4 3253 B9R1.13 C[C@H](N)Cc1ccno1 Amb33230085 [0,1,0,1,0,0|1,0,1]=4 3254 B9R1.13 C[C@H](O)CC1=CC=CC1 Amb27770335 [0,1,0,1,0,0|0,0,2]=4 3255 B9R1.13 C[C@H](O)CC1=CCC=C1 Amb28049106 [0,1,0,1,0,0|0,0,2]=4 3256 B9R1.13 C[C@H](O)Cc1ccco1 Amb28342905 [0,1,0,1,0,0|0,0,2]=4 3257 B9R1.24 CC1(C)SCC=C1CO Amb25221098 [0,1,0,1,0,0|1,0,1]=4 3258 B9R1.24 CC1(O)C=CCC1CO Amb27448821 [0,1,0,1,0,0|0,0,2]=4 3259 B9R1.40 CC1(C)C=CCCC1O Amb27485684 [0,1,0,1,0,0|0,0,2]=4 3260 B9R1.40 CC1(C)CCC=C[C@@H]1O Amb28454457 [0,1,0,1,0,0|0,0,2]=4 3261 B9R1.40 CC1(N)C=CC=CC1N Amb27411147 [0,1,0,1,0,0|1,0,0]=3 3262 B9R1.40 C[C@]1(O)C=CC=C[C@@H]1O Amb27441472 [0,1,0,1,0,0|0,0,0]=2 3263 B9R1.41 CC(C)C1=CCC[C@H]1O Amb27969079 [0,1,0,1,0,0|0,0,2]=4 3264 B9R1.41 CC(N)c1cccn1C Amb5722734 [0,1,0,1,0,0|2,0,0]=4 3265 B9R1.41 CC(N)c1ccoc1O Amb27658285 [0,1,0,1,0,0|1,0,1]=4 3266 B9R1.41 CC(O)c1cccn1C Amb25348523 [0,1,0,1,0,0|1,0,0]=3 3267 B9R1.41 CC(O)c1ccnn1C Amb26961603 [0,1,0,1,0,0|2,0,0]=4 3268 B9R1.41 CC(O)c1nccn1C Amb22267722 [0,1,0,1,0,0|2,0,0]=4 3269 B9R1.41 C[C@@H](N)c1cccn1C Amb22831455 [0,1,0,1,0,0|2,0,0]=4 3270 B9R1.41 C[C@@H](N)c1ccsc1O Amb27838434 [0,1,0,1,0,0|1,0,1]=4 3271 B9R1.41 C[C@@H](N)c1cocc1O Amb27226011 [0,1,0,1,0,0|1,0,1]=4 3272 B9R1.41 C[C@@H](N)c1occc1O Amb27493031 [0,1,0,1,0,0|1,0,1]=4 3273 B9R1.41 C[C@@H](N)c1sccc1O Amb27779882 [0,1,0,1,0,0|1,0,1]=4 3274 B9R1.41 C[C@@H](O)c1cccn1C Amb27179780 [0,1,0,1,0,0|1,0,0]=3 3275 B9R1.41 C[C@@H](O)c1ccnn1C Amb26885470 [0,1,0,1,0,0|2,0,0]=4 3276 B9R1.41 C[C@@H](O)c1cncn1C Amb27768803 [0,1,0,1,0,0|2,0,0]=4 3277 B9R1.41 C[C@@H](O)c1nccn1C Amb25923996 [0,1,0,1,0,0|2,0,0]=4 3278 B9R1.41 C[C@H](N)[C@H]1OC=C[C@H]1O Amb28388362 [0,1,0,1,0,0|1,0,1]=4 3279 B9R1.41 C[C@H](N)c1cccn1C Amb26327046 [0,1,0,1,0,0|2,0,0]=4 3280 B9R1.41 C[C@H](N)c1occc1O Amb27838437 [0,1,0,1,0,0|1,0,1]=4 3281 B9R1.41 C[C@H](O)c1cccn1C Amb27805042 [0,1,0,1,0,0|1,0,0]=3 3282 B9R1.41 C[C@H](O)c1ccnn1C Amb27835648 [0,1,0,1,0,0|2,0,0]=4 3283 B9R1.41 C[C@H](O)c1cncn1C Amb26047662 [0,1,0,1,0,0|2,0,0]=4 3284 B9R1.41 C[C@H](O)c1nccn1C Amb26340398 [0,1,0,1,0,0|2,0,0]=4 3285 B9R1.41 Cc1ccoc1[C@@H](C)O Amb26578606 [0,1,0,1,0,0|1,0,1]=4 3286 B9R1.41 Cc1ccoc1[C@H](C)O Amb27653321 [0,1,0,1,0,0|1,0,1]=4 3287 B9R1.41 Cc1ccsc1C(C)O Amb24556518 [0,1,0,1,0,0|1,0,1]=4 3288 B9R1.41 Cc1ccsc1[C@@H](C)O Amb25842069 [0,1,0,1,0,0|1,0,1]=4 3289 B9R1.41 Cc1ccsc1[C@H](C)O Amb25088944 [0,1,0,1,0,0|1,0,1]=4 3290 B9R1.41 Cc1cocc1C(C)O Amb27184714 [0,1,0,1,0,0|1,0,1]=4 3291 B9R1.41 Cc1cscc1C(C)O Amb27494376 [0,1,0,1,0,0|1,0,1]=4 3292 B9R1.41 Cc1cscc1[C@@H](C)O Amb27441437 [0,1,0,1,0,0|1,0,1]=4 3293 B9R1.41 Cc1cscc1[C@H](C)O Amb24671755 [0,1,0,1,0,0|1,0,1]=4 3294 B9R1.41 Cc1occc1[C@@H](C)O Amb27768676 [0,1,0,1,0,0|1,0,1]=4 3295 B9R1.41 Cc1occc1[C@H](C)O Amb24403069 [0,1,0,1,0,0|1,0,1]=4 3296 B9R1.41 Cn1cccc1B(O)O Amb16185674 [0,1,0,1,0,0|2,0,0]=4 3297 B9R1.41 Cn1cccc1C(=O)O Amb1151288 [0,1,0,1,0,0|1,0,1]=4 3298 B9R1.41 Cn1cccc1C(N)O Amb25349340 [0,1,0,1,0,0|1,0,0]=3 3299 B9R1.41 O=C(O)C1=CC=CC1Cl Amb27780445 [0,1,0,1,0,0|1,0,1]=4 3300 B9R1.46 CC(O)\C=C\C1OC1C Amb27956506 [0,1,0,1,0,0|1,0,1]=4 3301 B9R1.46 CC(O)\C=C\[C@H]1O[C@@H]1C Amb28350347 [0,1,0,1,0,0|1,0,1]=4 3302 B9R1.77 CC1(C)CC1\C=C\CO Amb27165277 [0,1,0,1,0,0|0,0,2]=4 3303 B9R1.77 CC1(C)C[C@@H]1\C=C\CO Amb27195119 [0,1,0,1,0,0|0,0,2]=4 3304 B9R1.77 CC1(C)C\C1=C/CCO Amb28194214 [0,1,0,1,0,0|0,0,2]=4 3305 B9R1.84 CC(O)\C=C\C1CCC1 Amb27645263 [0,1,0,1,0,0|0,0,2]=4 3306 B9R1.96 C[C@@H](O)[C@@H]1C=C[C@@H]1CO Amb27660278 [0,1,0,1,0,0|0,0,2]=4 3307 B9R1.148 CC1(C)C=COCCO1 Amb30621781 [0,1,0,1,0,0|1,0,1]=4 3308 B9R1.148 CC1(C)OCC=CCO1 Amb22728345 [0,1,0,1,0,0|1,0,1]=4 3309 B9R2.24 OC1C2C=CC1CC2 Amb24745608 [0,0,0,2,0,0|0,0,2]=4 3310 B9R2.50 C1=CCC2=C(C1)CC2 Amb17778803 [0,0,0,2,0,0|1,0,1]=4 3311 B9R2.50 c1ccc2c(c1)CC2 Amb17778802 [0,0,0,2,0,0|1,0,1]=4 3312 B9R2.6 CC12CC=CCC1O2 Amb22365024 [0,0,0,2,0,0|0,0,2]=4 3313 B9R2.19 OC1C=CC2CC1C2 Amb28207135 [0,0,0,2,0,0|0,0,2]=4 3314 B9R2.39 OC1CC2C=CC1C2 Amb19958337 [0,0,0,2,0,0|0,0,2]=4 3315 B9R2.39 OC1C[C@@H]2C=C[C@H]1C2 Amb26920676 [0,0,0,2,0,0|0,0,2]=4 3316 B9R2.39 OC1C[C@H]2C=C[C@@H]1C2 Amb33524064 [0,0,0,2,0,0|0,0,2]=4 3317 B9R2.39 OC1C[C@H]2C=C[C@H]1C2 Amb28428493 [0,0,0,2,0,0|0,0,2]=4 3318 B9R2.39 OC1N[C@H]2C=C[C@@H]1C2 Amb27216764 [0,0,0,2,0,0|1,0,1]=4 3319 B9R2.39 O[C@@H]1CC2C=C[C@@H]1C2 Amb28069705 [0,0,0,2,0,0|0,0,2]=4 3320 B9R2.39 O[C@@H]1C[C@H]2C=C[C@@H]1C2 Amb28369855 [0,0,0,2,0,0|0,0,2]=4 3321 B9R2.39 O[C@@H]1C[C@H]2C=C[C@H]1C2 Amb28053800 [0,0,0,2,0,0|0,0,2]=4 3322 B9R2.39 O[C@H]1C[C@@H]2C=C[C@H]1C2 Amb27428377 [0,0,0,2,0,0|0,0,2]=4 3323 B9R2.39 O[C@H]1C[C@H]2C=C[C@@H]1C2 Amb27635724 [0,0,0,2,0,0|0,0,2]=4 3324 B9R2.109 O[C@@H]1C=CC[C@H]2C[C@@H]12 Amb27790188 [0,0,0,2,0,0|0,0,2]=4 3325 B9R2.109 O[C@H]1C=CC[C@H]2C[C@H]21 Amb27219001 [0,0,0,2,0,0|0,0,2]=4 3326 B9R2.2 c1coc(C2CC2)c1 Amb24323177 [0,0,0,2,0,0|0,0,2]=4 3327 B9R2.3 C1=C[C@H]2CCO[C@H]2O1 Amb27852857 [0,0,0,2,0,0|1,0,1]=4 3328 B9R2.3 c1cc2c(o1)NCC2 Amb18833124 [0,0,0,2,0,0|1,0,1]=4 3329 B9R2.3 c1cc2n(c1)CCC2 Amb17689384 [0,0,0,2,0,0|2,0,0]=4 3330 B9R2.3 c1noc2c1CCN2 Amb18833119 [0,0,0,2,0,0|2,0,0]=4 3331 B9R2.7 OC1CC2=C1CCC2 Amb27481033 [0,0,0,2,0,0|0,0,2]=4 3332 B9R2.7 OC1C[C@H]2C=CC[C@@H]12 Amb27652871 [0,0,0,2,0,0|0,0,2]=4 3333 B9R2.7 O[C@@H]1C[C@H]2C=CC[C@H]21 Amb27488639 [0,0,0,2,0,0|0,0,2]=4 3334 B9R2.7 O[C@H]1C[C@H]2C=CC[C@@H]12 Amb28065322 [0,0,0,2,0,0|0,0,2]=4 3335 B9R2.7 O[C@H]1C[C@H]2CC=C[C@@H]12 Amb27205200 [0,0,0,2,0,0|0,0,2]=4 3336 B9R2.21 OC1C=C[C@@H]2C[C@@H]2C1 Amb27197544 [0,0,0,2,0,0|0,0,2]=4 3337 B9R2.21 O[C@@H]1C=C[C@H]2C[C@H]2C1 Amb28202543 [0,0,0,2,0,0|0,0,2]=4 3338 B9R2.20 O[C@@H]1C=C[C@@H]2CC[C@H]12 Amb25252536 [0,0,0,2,0,0|0,0,2]=4 3339 B9R2.20 O[C@@H]1CC[C@@H]2C=C[C@H]12 Amb28435644 [0,0,0,2,0,0|0,0,2]=4 3340 B9R2.20 O[C@H]1C=CC2CCC21 Amb26641999 [0,0,0,2,0,0|0,0,2]=4 3341 B9R2.20 O[C@H]1C=C[C@@H]2CC[C@@H]21 Amb24648863 [0,0,0,2,0,0|0,0,2]=4 3342 B9R2.33 O[C@@H]1C[C@@H]2C=C[C@@H]2C1 Amb27595179 [0,0,0,2,0,0|0,0,2]=4 3343 B9R2.28 OC\C=C1\CC12CC2 Amb28065337 [0,0,0,2,0,0|0,0,2]=4 3344 B9R2.79 OC[C@@H]1CC1=C2CC2 Amb27631965 [0,0,0,2,0,0|0,0,2]=4