0 B13R2.369 Brc1cc2ccccc2cc1Br Amb4027856 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.369 Brc1cc2ccccc2cc1I Amb13883628 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.369 Brc1cc2ccccc2nc1Br Amb2609656 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.369 Brc1cc2ccccc2nc1I Amb24483630 [0,0,0,0,0,0|3,0,0]=3 4 B13R2.369 Brc1cc2cccnc2nc1Br Amb2795319 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.369 Brc1cc2ccncc2cc1Br Amb25674114 [0,0,0,0,0,0|4,0,0]=4 6 B13R2.369 Brc1cc2ncccc2nc1Br Amb17912720 [0,0,0,0,0,0|4,0,0]=4 7 B13R2.369 Brc1nc2ccccc2cc1I Amb27665904 [0,0,0,0,0,0|3,0,0]=3 8 B13R2.369 Brc1nc2ccccc2nc1Br Amb24121534 [0,0,0,0,0,0|4,0,0]=4 9 B13R2.369 C=C1C=C2C=CC=CC2=CC1=O Amb27175861 [0,0,0,0,0,0|2,0,0]=2 10 B13R2.369 C=C1Nc2ccccc2OC1=O Amb25996357 [0,0,0,0,0,0|2,0,0]=2 11 B13R2.369 CC1=Cc2ccccc2NC1=O Amb19115338 [0,0,0,0,0,0|2,0,0]=2 12 B13R2.369 CC1=Cc2ccccc2OC1=O Amb20247474 [0,0,0,0,0,0|1,0,0]=1 13 B13R2.369 CC1=Cc2cccnc2NC1=O Amb22497900 [0,0,0,0,0,0|3,0,0]=3 14 B13R2.369 CC1=Cc2cnccc2NC1=O Amb27876494 [0,0,0,0,0,0|3,0,0]=3 15 B13R2.369 CC1=Nc2ccccc2NC1=O Amb18368610 [0,0,0,0,0,0|3,0,0]=3 16 B13R2.369 CC1=Nc2ccccc2NC1=S Amb18043495 [0,0,0,0,0,0|3,1,0]=4 17 B13R2.369 CC1=Nc2ccccc2OC1=O Amb27482974 [0,0,0,0,0,0|2,0,0]=2 18 B13R2.369 CC1=Nc2cccnc2NC1=O Amb19373141 [0,0,0,0,0,0|4,0,0]=4 19 B13R2.369 CC1=Nc2ccncc2NC1=O Amb23597005 [0,0,0,0,0,0|4,0,0]=4 20 B13R2.369 CC1=Nc2ncccc2NC1=O Amb26342261 [0,0,0,0,0,0|4,0,0]=4 21 B13R2.369 CC1C=C2C=CC=CC2=NC1=O Amb22015245 [0,0,0,0,0,0|2,0,1]=3 22 B13R2.369 CC1Cc2ccccc2CC1=O Amb28321881 [0,0,0,0,0,0|2,0,2]=4 23 B13R2.369 CC1Cc2ccccc2NC1=O Amb10604462 [0,0,0,0,0,0|2,0,2]=4 24 B13R2.369 CC1Nc2ccccc2NC1=O Amb2418151 [0,0,0,0,0,0|3,0,1]=4 25 B13R2.369 CC1Nc2ccccc2OC1=O Amb17217247 [0,0,0,0,0,0|2,0,1]=3 26 B13R2.369 CC1Oc2ccccc2N=C1Cl Amb18118342 [0,0,0,0,0,0|3,0,1]=4 27 B13R2.369 CC1Oc2ccccc2N=C1N Amb25992518 [0,0,0,0,0,0|3,0,1]=4 28 B13R2.369 CC1Oc2ccccc2NC1=O Amb2568450 [0,0,0,0,0,0|2,0,2]=4 29 B13R2.369 CC1Sc2ccccc2CC1=O Amb27836849 [0,0,0,0,0,0|3,0,1]=4 30 B13R2.369 CC1Sc2ccccc2NC1=O Amb2714505 [0,0,0,0,0,0|3,0,1]=4 31 B13R2.369 CN1Cc2ccccc2CC1=O Amb22388960 [0,0,0,0,0,0|3,0,1]=4 32 B13R2.369 CN1Cc2ccccc2NC1=O Amb6198737 [0,0,0,0,0,0|3,0,1]=4 33 B13R2.369 CN1Cc2ccccc2OC1=O Amb28244326 [0,0,0,0,0,0|2,0,1]=3 34 B13R2.369 C[C@H]1Nc2ccccc2NC1=O Amb24653859 [0,0,0,0,0,0|3,0,1]=4 35 B13R2.369 Cc1cc2cccc[n+]2cc1C Amb2613497 [0,0,0,0,0,0|4,0,0]=4 36 B13R2.369 Cc1cc2ccccc2c[n+]1[O-] Amb2612197 [0,0,0,0,0,0|3,0,1]=4 37 B13R2.369 Cc1cc2ccccc2cc1Br Amb22228668 [0,0,0,0,0,0|3,0,0]=3 38 B13R2.369 Cc1cc2ccccc2cc1C Amb4012683 [0,0,0,0,0,0|3,0,0]=3 39 B13R2.369 Cc1cc2ccccc2cc1Cl Amb24408885 [0,0,0,0,0,0|3,0,0]=3 40 B13R2.369 Cc1cc2ccccc2cc1F Amb24484265 [0,0,0,0,0,0|3,0,0]=3 41 B13R2.369 Cc1cc2ccccc2cc1I Amb26457588 [0,0,0,0,0,0|3,0,0]=3 42 B13R2.369 Cc1cc2ccccc2cc1N Amb22751118 [0,0,0,0,0,0|3,0,0]=3 43 B13R2.369 Cc1cc2ccccc2cc1O Amb22262990 [0,0,0,0,0,0|2,0,0]=2 44 B13R2.369 Cc1cc2ccccc2nc1Br Amb4057225 [0,0,0,0,0,0|3,0,0]=3 45 B13R2.369 Cc1cc2ccccc2nc1C Amb2411347 [0,0,0,0,0,0|3,0,0]=3 46 B13R2.369 Cc1cc2ccccc2nc1Cl Amb2447526 [0,0,0,0,0,0|3,0,0]=3 47 B13R2.369 Cc1cc2ccccc2nc1F Amb34164902 [0,0,0,0,0,0|3,0,0]=3 48 B13R2.369 Cc1cc2ccccc2nc1I Amb27840817 [0,0,0,0,0,0|3,0,0]=3 49 B13R2.369 Cc1cc2ccccc2nc1N Amb9134109 [0,0,0,0,0,0|3,0,0]=3 50 B13R2.369 Cc1cc2ccccc2nc1S Amb2786384 [0,0,0,0,0,0|2,1,0]=3 51 B13R2.369 Cc1cc2cccnc2cc1Br Amb26041897 [0,0,0,0,0,0|4,0,0]=4 52 B13R2.369 Cc1cc2cccnc2cc1C Amb24309324 [0,0,0,0,0,0|4,0,0]=4 53 B13R2.369 Cc1cc2cccnc2cc1O Amb18645153 [0,0,0,0,0,0|3,0,0]=3 54 B13R2.369 Cc1cc2cccnc2nc1Cl Amb22497901 [0,0,0,0,0,0|4,0,0]=4 55 B13R2.369 Cc1cc2ccncc2cc1Br Amb27200092 [0,0,0,0,0,0|4,0,0]=4 56 B13R2.369 Cc1cc2ccncc2cc1O Amb27262920 [0,0,0,0,0,0|3,0,0]=3 57 B13R2.369 Cc1cc2ccncc2nc1Cl Amb9174243 [0,0,0,0,0,0|4,0,0]=4 58 B13R2.369 Cc1cc2cnccc2cc1F Amb24485443 [0,0,0,0,0,0|4,0,0]=4 59 B13R2.369 Cc1cc2cnccc2cc1O Amb21963927 [0,0,0,0,0,0|3,0,0]=3 60 B13R2.369 Cc1cc2ncccc2cc1Br Amb21858684 [0,0,0,0,0,0|4,0,0]=4 61 B13R2.369 Cc1cc2ncccc2cc1F Amb23504855 [0,0,0,0,0,0|4,0,0]=4 62 B13R2.369 Cc1cc2ncccc2cc1N Amb594754 [0,0,0,0,0,0|4,0,0]=4 63 B13R2.369 Cc1cc2ncccc2cc1O Amb18645152 [0,0,0,0,0,0|3,0,0]=3 64 B13R2.369 Cc1cc2ncccc2cc1O Amb35747831 [0,0,0,0,0,0|3,0,0]=3 65 B13R2.369 Cc1cc2ncccc2nc1Br Amb10879381 [0,0,0,0,0,0|4,0,0]=4 66 B13R2.369 Cc1cc2ncccc2nc1Cl Amb7101485 [0,0,0,0,0,0|4,0,0]=4 67 B13R2.369 Cc1cc2ncccc2nc1N Amb7101466 [0,0,0,0,0,0|4,0,0]=4 68 B13R2.369 Cc1cc2ncccc2nc1O Amb7101465 [0,0,0,0,0,0|3,0,1]=4 69 B13R2.369 Cc1nc2ccccc2cc1Br Amb2720703 [0,0,0,0,0,0|3,0,0]=3 70 B13R2.369 Cc1nc2ccccc2cc1I Amb27628637 [0,0,0,0,0,0|3,0,0]=3 71 B13R2.369 Cc1nc2ccccc2cc1N Amb18062093 [0,0,0,0,0,0|3,0,0]=3 72 B13R2.369 Cc1nc2ccccc2cc1N Amb20239532 [0,0,0,0,0,0|3,0,0]=3 73 B13R2.369 Cc1nc2ccccc2cc1O Amb660984 [0,0,0,0,0,0|2,0,0]=2 74 B13R2.369 Cc1nc2ccccc2nc1Br Amb19374379 [0,0,0,0,0,0|4,0,0]=4 75 B13R2.369 Cc1nc2ccccc2nc1C Amb4026039 [0,0,0,0,0,0|4,0,0]=4 76 B13R2.369 Cc1nc2ccccc2nc1C Amb6339409 [0,0,0,0,0,0|4,0,0]=4 77 B13R2.369 Cc1nc2ccccc2nc1Cl Amb6336175 [0,0,0,0,0,0|4,0,0]=4 78 B13R2.369 Cc1nc2ccccc2nc1N Amb2609680 [0,0,0,0,0,0|4,0,0]=4 79 B13R2.369 Cc1nc2ccccc2nc1O Amb631810 [0,0,0,0,0,0|3,0,0]=3 80 B13R2.369 Cc1nc2ccccc2nc1S Amb6371739 [0,0,0,0,0,0|3,1,0]=4 81 B13R2.369 Cc1nc2ccncc2cc1N Amb23441222 [0,0,0,0,0,0|4,0,0]=4 82 B13R2.369 Cc1nc2ccncc2cc1O Amb24692629 [0,0,0,0,0,0|3,0,0]=3 83 B13R2.369 Cc1nc2ncccc2cc1Br Amb2610813 [0,0,0,0,0,0|4,0,0]=4 84 B13R2.369 Cc1nc2ncccc2cc1O Amb25359913 [0,0,0,0,0,0|3,0,0]=3 85 B13R2.369 Clc1cc2ccccc2cc1Br Amb26539587 [0,0,0,0,0,0|3,0,0]=3 86 B13R2.369 Clc1cc2ccccc2cc1Cl Amb22730503 [0,0,0,0,0,0|3,0,0]=3 87 B13R2.369 Clc1cc2ccccc2nc1Cl Amb19958556 [0,0,0,0,0,0|3,0,0]=3 88 B13R2.369 Clc1cc2ccccc2nc1I Amb27603446 [0,0,0,0,0,0|3,0,0]=3 89 B13R2.369 Clc1cc2cccnc2cc1Cl Amb21964466 [0,0,0,0,0,0|4,0,0]=4 90 B13R2.369 Clc1cc2cccnc2nc1Br Amb22751899 [0,0,0,0,0,0|4,0,0]=4 91 B13R2.369 Clc1cc2ccncc2cc1Br Amb26373869 [0,0,0,0,0,0|4,0,0]=4 92 B13R2.369 Clc1cc2ccncc2cc1Cl Amb23589877 [0,0,0,0,0,0|4,0,0]=4 93 B13R2.369 Clc1cc2cnccc2cc1Br Amb26503757 [0,0,0,0,0,0|4,0,0]=4 94 B13R2.369 Clc1nc2ccccc2cc1Br Amb10606855 [0,0,0,0,0,0|3,0,0]=3 95 B13R2.369 Clc1nc2ccccc2nc1Cl Amb1157547 [0,0,0,0,0,0|4,0,0]=4 96 B13R2.369 Clc1nc2ncccc2cc1Br Amb33512710 [0,0,0,0,0,0|4,0,0]=4 97 B13R2.369 Fc1cc2ccccc2cc1Br Amb25351655 [0,0,0,0,0,0|3,0,0]=3 98 B13R2.369 Fc1cc2ccccc2cc1Cl Amb24606517 [0,0,0,0,0,0|3,0,0]=3 99 B13R2.369 Fc1cc2ccccc2cc1F Amb25100177 [0,0,0,0,0,0|3,0,0]=3 100 B13R2.369 Fc1cc2ccccc2cc1I Amb28436689 [0,0,0,0,0,0|3,0,0]=3 101 B13R2.369 Fc1cc2ccccc2nc1Br Amb22547372 [0,0,0,0,0,0|3,0,0]=3 102 B13R2.369 Fc1cc2ccccc2nc1Cl Amb26328980 [0,0,0,0,0,0|3,0,0]=3 103 B13R2.369 Fc1cc2ccccc2nc1I Amb25797787 [0,0,0,0,0,0|3,0,0]=3 104 B13R2.369 Fc1cc2cccnc2cc1F Amb620169 [0,0,0,0,0,0|4,0,0]=4 105 B13R2.369 Fc1cc2ccncc2cc1Br Amb22235927 [0,0,0,0,0,0|4,0,0]=4 106 B13R2.369 Fc1cc2ccncc2cc1Cl Amb22410838 [0,0,0,0,0,0|4,0,0]=4 107 B13R2.369 Fc1cc2ccncc2cc1F Amb27774885 [0,0,0,0,0,0|4,0,0]=4 108 B13R2.369 Fc1cc2cnccc2cc1Br Amb23439691 [0,0,0,0,0,0|4,0,0]=4 109 B13R2.369 Fc1cc2ncccc2cc1Br Amb18548688 [0,0,0,0,0,0|4,0,0]=4 110 B13R2.369 Fc1nc2ccccc2cc1Br Amb25897111 [0,0,0,0,0,0|3,0,0]=3 111 B13R2.369 Fc1nc2ccccc2nc1Cl Amb27253168 [0,0,0,0,0,0|4,0,0]=4 112 B13R2.369 Fc1nc2ccccc2nc1F Amb24065287 [0,0,0,0,0,0|4,0,0]=4 113 B13R2.369 Ic1cc2ccccc2cc1I Amb21954221 [0,0,0,0,0,0|3,0,0]=3 114 B13R2.369 N=C1Nc2ccccc2NC1=O Amb19804517 [0,0,0,0,0,0|3,0,0]=3 115 B13R2.369 N=C1Nc2ccccc2OC1=O Amb20053203 [0,0,0,0,0,0|2,0,0]=2 116 B13R2.369 NC1=Cc2ccccc2NC1=S Amb24373878 [0,0,0,0,0,0|2,1,0]=3 117 B13R2.369 NC1=Cc2ccccc2OC1=O Amb18511494 [0,0,0,0,0,0|1,0,0]=1 118 B13R2.369 NC1=Cc2cnccc2NC1=O Amb32418303 [0,0,0,0,0,0|3,0,0]=3 119 B13R2.369 NC1=Nc2cccnc2NC1=O Amb25106877 [0,0,0,0,0,0|4,0,0]=4 120 B13R2.369 NC1=Nc2cnccc2NC1=O Amb26371895 [0,0,0,0,0,0|4,0,0]=4 121 B13R2.369 NC1Cc2ccccc2NC1=O Amb10975380 [0,0,0,0,0,0|2,0,2]=4 122 B13R2.369 NC1Cc2ccccc2NC1=O Amb2196732 [0,0,0,0,0,0|2,0,2]=4 123 B13R2.369 NC1Cc2ccccc2NC1=O Amb6353803 [0,0,0,0,0,0|2,0,2]=4 124 B13R2.369 NC1Cc2ccccc2OC1=O Amb18645811 [0,0,0,0,0,0|1,0,2]=3 125 B13R2.369 NN1Cc2ccccc2NC1=O Amb28076843 [0,0,0,0,0,0|3,0,1]=4 126 B13R2.369 Nc1cc2ccccc2c[n+]1N Amb27594694 [0,0,0,0,0,0|4,0,0]=4 127 B13R2.369 Nc1cc2ccccc2cc1Br Amb2610350 [0,0,0,0,0,0|3,0,0]=3 128 B13R2.369 Nc1cc2ccccc2cc1Cl Amb18648080 [0,0,0,0,0,0|3,0,0]=3 129 B13R2.369 Nc1cc2ccccc2cc1F Amb26978863 [0,0,0,0,0,0|3,0,0]=3 130 B13R2.369 Nc1cc2ccccc2cc1I Amb21955955 [0,0,0,0,0,0|3,0,0]=3 131 B13R2.369 Nc1cc2ccccc2cc1N Amb2710387 [0,0,0,0,0,0|3,0,0]=3 132 B13R2.369 Nc1cc2ccccc2cc1O Amb2781576 [0,0,0,0,0,0|2,0,0]=2 133 B13R2.369 Nc1cc2ccccc2nc1Br Amb22499505 [0,0,0,0,0,0|3,0,0]=3 134 B13R2.369 Nc1cc2ccccc2nc1Cl Amb22263229 [0,0,0,0,0,0|3,0,0]=3 135 B13R2.369 Nc1cc2ccccc2nc1O Amb18645300 [0,0,0,0,0,0|2,0,1]=3 136 B13R2.369 Nc1cc2cccnc2cc1Cl Amb24601767 [0,0,0,0,0,0|4,0,0]=4 137 B13R2.369 Nc1cc2cccnc2cc1F Amb31291475 [0,0,0,0,0,0|4,0,0]=4 138 B13R2.369 Nc1cc2cccnc2cc1O Amb26586376 [0,0,0,0,0,0|3,0,0]=3 139 B13R2.369 Nc1cc2cccnc2nc1Br Amb13881196 [0,0,0,0,0,0|4,0,0]=4 140 B13R2.369 Nc1cc2cccnc2nc1Cl Amb27175619 [0,0,0,0,0,0|4,0,0]=4 141 B13R2.369 Nc1cc2cccnc2nc1N Amb21811362 [0,0,0,0,0,0|4,0,0]=4 142 B13R2.369 Nc1cc2cccnc2nc1O Amb13881382 [0,0,0,0,0,0|3,0,1]=4 143 B13R2.369 Nc1cc2ccncc2cc1Cl Amb18824789 [0,0,0,0,0,0|4,0,0]=4 144 B13R2.369 Nc1cc2ccncc2cc1F Amb18829767 [0,0,0,0,0,0|4,0,0]=4 145 B13R2.369 Nc1cc2ccncc2cc1O Amb18830217 [0,0,0,0,0,0|3,0,0]=3 146 B13R2.369 Nc1cc2ncccc2cc1O Amb25966047 [0,0,0,0,0,0|3,0,0]=3 147 B13R2.369 Nc1cc2ncccc2nc1Br Amb13881197 [0,0,0,0,0,0|4,0,0]=4 148 B13R2.369 Nc1cc2ncccc2nc1N Amb18645346 [0,0,0,0,0,0|4,0,0]=4 149 B13R2.369 Nc1nc2ccccc2c[n+]1N Amb27208271 [0,0,0,0,0,0|4,0,0]=4 150 B13R2.369 Nc1nc2ccccc2cc1Br Amb21962044 [0,0,0,0,0,0|3,0,0]=3 151 B13R2.369 Nc1nc2ccccc2cc1F Amb25800913 [0,0,0,0,0,0|3,0,0]=3 152 B13R2.369 Nc1nc2ccccc2cc1O Amb27471786 [0,0,0,0,0,0|2,0,0]=2 153 B13R2.369 Nc1nc2ccccc2nc1Cl Amb1149908 [0,0,0,0,0,0|4,0,0]=4 154 B13R2.369 Nc1nc2ccccc2nc1F Amb29853508 [0,0,0,0,0,0|4,0,0]=4 155 B13R2.369 Nc1nc2ccccc2nc1N Amb2518943 [0,0,0,0,0,0|4,0,0]=4 156 B13R2.369 Nc1nc2ccccc2nc1S Amb18648058 [0,0,0,0,0,0|3,1,0]=4 157 B13R2.369 Nc1nc2cccnc2cc1Br Amb28400870 [0,0,0,0,0,0|4,0,0]=4 158 B13R2.369 Nc1nc2cccnc2cc1F Amb28052946 [0,0,0,0,0,0|4,0,0]=4 159 B13R2.369 Nc1nc2ncccc2cc1Br Amb2795054 [0,0,0,0,0,0|4,0,0]=4 160 B13R2.369 O=C1C=C2CCNC=C2C=C1O Amb33513030 [0,0,0,0,0,0|2,0,2]=4 161 B13R2.369 O=C1Cc2ccccc2CC1Cl Amb28458358 [0,0,0,0,0,0|2,0,2]=4 162 B13R2.369 O=C1Cc2ccccc2CN1O Amb27607094 [0,0,0,0,0,0|2,0,1]=3 163 B13R2.369 O=C1Cc2ccccc2OC1=O Amb22755081 [0,0,0,0,0,0|0,0,2]=2 164 B13R2.369 O=C1N=C2C=CC=CC2=CC1Cl Amb22015161 [0,0,0,0,0,0|2,0,1]=3 165 B13R2.369 O=C1Nc2ccccc2C=C1Br Amb20247010 [0,0,0,0,0,0|2,0,0]=2 166 B13R2.369 O=C1Nc2ccccc2C=C1Cl Amb21857147 [0,0,0,0,0,0|2,0,0]=2 167 B13R2.369 O=C1Nc2ccccc2C=C1F Amb22547229 [0,0,0,0,0,0|2,0,0]=2 168 B13R2.369 O=C1Nc2ccccc2C=C1O Amb20619410 [0,0,0,0,0,0|1,0,0]=1 169 B13R2.369 O=C1Nc2ccccc2CC1Br Amb10601380 [0,0,0,0,0,0|2,0,2]=4 170 B13R2.369 O=C1Nc2ccccc2CC1O Amb22899290 [0,0,0,0,0,0|1,0,2]=3 171 B13R2.369 O=C1Nc2ccccc2NC1=O Amb18545062 [0,0,0,0,0,0|2,0,1]=3 172 B13R2.369 O=C1Nc2ccccc2NC1=S Amb19654259 [0,0,0,0,0,0|2,1,0]=3 173 B13R2.369 O=C1Nc2ccccc2OC1=O Amb19650977 [0,0,0,0,0,0|1,0,1]=2 174 B13R2.369 O=C1Nc2ccccc2OC1Br Amb33328763 [0,0,0,0,0,0|2,0,2]=4 175 B13R2.369 O=C1Nc2ccccc2OC1O Amb9824611 [0,0,0,0,0,0|2,0,1]=3 176 B13R2.369 O=C1Nc2ccccc2SC1=O Amb27949655 [0,0,0,0,0,0|1,1,1]=3 177 B13R2.369 O=C1Nc2ccccc2SC1O Amb28243913 [0,0,0,0,0,0|2,0,1]=3 178 B13R2.369 O=C1Nc2cccnc2C=C1Br Amb20671324 [0,0,0,0,0,0|3,0,0]=3 179 B13R2.369 O=C1Nc2cccnc2NC1=O Amb19813203 [0,0,0,0,0,0|3,0,1]=4 180 B13R2.369 O=C1Nc2ccncc2C=C1Br Amb26647449 [0,0,0,0,0,0|3,0,0]=3 181 B13R2.369 O=C1Nc2ccncc2C=C1Cl Amb27587506 [0,0,0,0,0,0|3,0,0]=3 182 B13R2.369 O=C1Nc2ccncc2C=C1O Amb25034645 [0,0,0,0,0,0|2,0,0]=2 183 B13R2.369 O=C1Nc2ccncc2NC1=O Amb18043122 [0,0,0,0,0,0|3,0,1]=4 184 B13R2.369 O=C1Nc2ncccc2OC1O Amb25352472 [0,0,0,0,0,0|3,0,1]=4 185 B13R2.369 O=C1Oc2ccccc2C=C1Br Amb19655979 [0,0,0,0,0,0|1,0,0]=1 186 B13R2.369 O=C1Oc2ccccc2C=C1F Amb22547186 [0,0,0,0,0,0|1,0,0]=1 187 B13R2.369 O=C1Oc2ccccc2C=C1O Amb18511465 [0,0,0,0,0,0|0,0,0]=0 188 B13R2.369 O=C1Oc2ccccc2C=C1S Amb27173626 [0,0,0,0,0,0|0,1,0]=1 189 B13R2.369 O=C1Oc2ccccc2N=C1Cl Amb21858712 [0,0,0,0,0,0|2,0,0]=2 190 B13R2.369 O=C1Oc2ccccc2N=C1O Amb22494623 [0,0,0,0,0,0|1,0,0]=1 191 B13R2.369 O=C1Oc2ccccc2NC1=S Amb27947432 [0,0,0,0,0,0|1,1,0]=2 192 B13R2.369 O=C1Oc2ccccc2NC1Cl Amb27444661 [0,0,0,0,0,0|2,0,1]=3 193 B13R2.369 O=C1Oc2ccccc2NC1O Amb27767886 [0,0,0,0,0,0|1,0,1]=2 194 B13R2.369 O=C1Sc2ccccc2C=C1Br Amb19886583 [0,0,0,0,0,0|1,1,0]=2 195 B13R2.369 O=C1Sc2ccccc2C=C1Cl Amb22347336 [0,0,0,0,0,0|1,1,0]=2 196 B13R2.369 O=C1Sc2ccccc2C=C1F Amb22641706 [0,0,0,0,0,0|1,1,0]=2 197 B13R2.369 O=C1Sc2ccccc2NC1Cl Amb27984888 [0,0,0,0,0,0|2,1,1]=4 198 B13R2.369 O=c1nc2cccnc2nc1=O Amb1040622 [0,0,0,0,0,0|3,0,1]=4 199 B13R2.369 OC1Oc2ccccc2C=C1Cl Amb27218912 [0,0,0,0,0,0|1,0,2]=3 200 B13R2.369 Oc1cc2ccccc2cc1Br Amb17596080 [0,0,0,0,0,0|2,0,0]=2 201 B13R2.369 Oc1cc2ccccc2cc1Cl Amb4010282 [0,0,0,0,0,0|2,0,0]=2 202 B13R2.369 Oc1cc2ccccc2cc1F Amb26494442 [0,0,0,0,0,0|2,0,0]=2 203 B13R2.369 Oc1cc2ccccc2cc1I Amb25148790 [0,0,0,0,0,0|2,0,0]=2 204 B13R2.369 Oc1cc2ccccc2cc1O Amb6296607 [0,0,0,0,0,0|1,0,1]=2 205 B13R2.369 Oc1cc2ccccc2nc1Br Amb18134374 [0,0,0,0,0,0|2,0,0]=2 206 B13R2.369 Oc1cc2ccccc2nc1Cl Amb21963885 [0,0,0,0,0,0|2,0,0]=2 207 B13R2.369 Oc1cc2ccccc2nc1F Amb27244594 [0,0,0,0,0,0|2,0,0]=2 208 B13R2.369 Oc1cc2ccccc2nc1I Amb28187128 [0,0,0,0,0,0|2,0,0]=2 209 B13R2.369 Oc1cc2cccnc2cc1Br Amb18658931 [0,0,0,0,0,0|3,0,0]=3 210 B13R2.369 Oc1cc2cccnc2cc1Br Amb33734275 [0,0,0,0,0,0|3,0,0]=3 211 B13R2.369 Oc1cc2cccnc2cc1Cl Amb23403182 [0,0,0,0,0,0|3,0,0]=3 212 B13R2.369 Oc1cc2cccnc2cc1F Amb23437334 [0,0,0,0,0,0|3,0,0]=3 213 B13R2.369 Oc1cc2cccnc2cc1I Amb23437335 [0,0,0,0,0,0|3,0,0]=3 214 B13R2.369 Oc1cc2cccnc2cc1O Amb17594015 [0,0,0,0,0,0|2,0,1]=3 215 B13R2.369 Oc1cc2cccnc2nc1Br Amb21811364 [0,0,0,0,0,0|3,0,0]=3 216 B13R2.369 Oc1cc2ccncc2cc1Br Amb28244392 [0,0,0,0,0,0|3,0,0]=3 217 B13R2.369 Oc1cc2cnccc2cc1Br Amb24453966 [0,0,0,0,0,0|3,0,0]=3 218 B13R2.369 Oc1cc2ncccc2cc1Br Amb27154500 [0,0,0,0,0,0|3,0,0]=3 219 B13R2.369 Oc1cc2ncccc2cc1Cl Amb27175729 [0,0,0,0,0,0|3,0,0]=3 220 B13R2.369 Oc1cc2ncccc2cc1I Amb25771696 [0,0,0,0,0,0|3,0,0]=3 221 B13R2.369 Oc1nc2ccccc2cc1Br Amb10608236 [0,0,0,0,0,0|2,0,1]=3 222 B13R2.369 Oc1nc2ccccc2nc1Cl Amb22497412 [0,0,0,0,0,0|3,0,0]=3 223 B13R2.369 Oc1nc2ccccc2nc1O Amb6334823 [0,0,0,0,0,0|2,0,1]=3 224 B13R2.369 Oc1nc2ccccc2nc1S Amb4138352 [0,0,0,0,0,0|2,1,0]=3 225 B13R2.369 Oc1nc2ncccc2cc1Br Amb13881381 [0,0,0,0,0,0|3,0,1]=4 226 B13R2.369 S=C1Nc2ccccc2C=C1Br Amb27631744 [0,0,0,0,0,0|2,1,0]=3 227 B13R2.369 S=C1Nc2ccccc2N=C1Cl Amb27230317 [0,0,0,0,0,0|3,1,0]=4 228 B13R2.369 S=C1Nc2ccccc2NC1=S Amb22527759 [0,0,0,0,0,0|2,2,0]=4 229 B13R2.369 Sc1cc2ccccc2nc1Cl Amb26056479 [0,0,0,0,0,0|2,1,0]=3 230 B13R2.369 Sc1nc2ccccc2nc1S Amb1154155 [0,0,0,0,0,0|2,2,0]=4 231 B13R2.369 [O-][n+]1cc2ccccc2cc1Cl Amb4477251 [0,0,0,0,0,0|3,0,1]=4 232 B12R2.24 BrC1=Cc2ccccc2CC1 Amb25726468 [1,0,0,0,0,0|2,0,1]=4 233 B12R2.24 BrC1=Cc2ccccc2OC1 Amb27841536 [1,0,0,0,0,0|1,0,1]=3 234 B12R2.24 Brc1cc2ccccc2cn1 Amb8438943 [1,0,0,0,0,0|3,0,0]=4 235 B12R2.24 Brc1cc[n+]2ccccc2c1 Amb2613514 [1,0,0,0,0,0|3,0,0]=4 236 B12R2.24 Brc1ccc2cccc[n+]2c1 Amb24392821 [1,0,0,0,0,0|3,0,0]=4 237 B12R2.24 Brc1ccc2ccccc2c1 Amb1159157 [1,0,0,0,0,0|2,0,0]=3 238 B12R2.24 Brc1ccc2ccccc2n1 Amb8397285 [1,0,0,0,0,0|2,0,0]=3 239 B12R2.24 Brc1ccc2cccnc2c1 Amb8397712 [1,0,0,0,0,0|3,0,0]=4 240 B12R2.24 Brc1ccc2cccnc2n1 Amb2795056 [1,0,0,0,0,0|3,0,0]=4 241 B12R2.24 Brc1ccc2ccncc2c1 Amb22276934 [1,0,0,0,0,0|3,0,0]=4 242 B12R2.24 Brc1ccc2ccncc2c1 Amb7101503 [1,0,0,0,0,0|3,0,0]=4 243 B12R2.24 Brc1ccc2ccncc2n1 Amb21962043 [1,0,0,0,0,0|3,0,0]=4 244 B12R2.24 Brc1ccc2cnccc2c1 Amb33140904 [1,0,0,0,0,0|3,0,0]=4 245 B12R2.24 Brc1ccc2cnccc2c1 Amb7101488 [1,0,0,0,0,0|3,0,0]=4 246 B12R2.24 Brc1ccc2cnccc2n1 Amb10070412 [1,0,0,0,0,0|3,0,0]=4 247 B12R2.24 Brc1ccc2ncccc2c1 Amb1033034 [1,0,0,0,0,0|3,0,0]=4 248 B12R2.24 Brc1ccc2ncccc2c1 Amb19516224 [1,0,0,0,0,0|3,0,0]=4 249 B12R2.24 Brc1ccc2ncccc2n1 Amb8438939 [1,0,0,0,0,0|3,0,0]=4 250 B12R2.24 Brc1cnc2ccccc2c1 Amb2722485 [1,0,0,0,0,0|2,0,0]=3 251 B12R2.24 Brc1cnc2ccccc2n1 Amb33538649 [1,0,0,0,0,0|3,0,0]=4 252 B12R2.24 Brc1cnc2cccnc2c1 Amb19958317 [1,0,0,0,0,0|3,0,0]=4 253 B12R2.24 Brc1cnc2ccncc2c1 Amb18176152 [1,0,0,0,0,0|3,0,0]=4 254 B12R2.24 Brc1cnc2cnccc2c1 Amb22500442 [1,0,0,0,0,0|3,0,0]=4 255 B12R2.24 Brc1cnc2ncccc2c1 Amb2541644 [1,0,0,0,0,0|3,0,0]=4 256 B12R2.24 Brc1ncc2ccccc2n1 Amb23399840 [1,0,0,0,0,0|3,0,0]=4 257 B12R2.24 C=C1CCc2ccccc2O1 Amb27210216 [1,0,0,0,0,0|1,0,2]=4 258 B12R2.24 CC1=Cc2ccccc2CC1 Amb31292543 [1,0,0,0,0,0|2,0,1]=4 259 B12R2.24 CC1=Cc2ccccc2CN1 Amb28322961 [1,0,0,0,0,0|3,0,0]=4 260 B12R2.24 CC1=Cc2ccccc2NC1 Amb18559652 [1,0,0,0,0,0|2,0,1]=4 261 B12R2.24 CC1C=Cc2ccccc2N1 Amb17593644 [1,0,0,0,0,0|2,0,1]=4 262 B12R2.24 CC1C=Cc2ncccc2O1 Amb25700391 [1,0,0,0,0,0|2,0,1]=4 263 B12R2.24 C[n+]1ccc2ccccc2c1 Amb1147460 [1,0,0,0,0,0|3,0,0]=4 264 B12R2.24 C[n+]1ccc2ccccc2c1 Amb2609709 [1,0,0,0,0,0|3,0,0]=4 265 B12R2.24 Cc1cc2ccccc2cn1 Amb8395994 [1,0,0,0,0,0|3,0,0]=4 266 B12R2.24 Cc1ccc2ccccc2c1 Amb6608830 [1,0,0,0,0,0|2,0,0]=3 267 B12R2.24 Cc1ccc2ccccc2n1 Amb1151967 [1,0,0,0,0,0|2,0,0]=3 268 B12R2.24 Cc1ccc2ccccc2n1 Amb33249592 [1,0,0,0,0,0|2,0,0]=3 269 B12R2.24 Cc1ccc2cccnc2c1 Amb8397711 [1,0,0,0,0,0|3,0,0]=4 270 B12R2.24 Cc1ccc2cccnc2n1 Amb2793429 [1,0,0,0,0,0|3,0,0]=4 271 B12R2.24 Cc1ccc2ccncc2c1 Amb33544176 [1,0,0,0,0,0|3,0,0]=4 272 B12R2.24 Cc1ccc2ccncc2n1 Amb25305156 [1,0,0,0,0,0|3,0,0]=4 273 B12R2.24 Cc1ccc2cnccc2c1 Amb10071945 [1,0,0,0,0,0|3,0,0]=4 274 B12R2.24 Cc1ccc2cnccc2n1 Amb23441223 [1,0,0,0,0,0|3,0,0]=4 275 B12R2.24 Cc1ccc2ncccc2c1 Amb22235973 [1,0,0,0,0,0|3,0,0]=4 276 B12R2.24 Cc1ccc2ncccc2c1 Amb6892169 [1,0,0,0,0,0|3,0,0]=4 277 B12R2.24 Cc1ccc2ncccc2n1 Amb15692772 [1,0,0,0,0,0|3,0,0]=4 278 B12R2.24 Cc1cnc2ccccc2c1 Amb2447051 [1,0,0,0,0,0|2,0,0]=3 279 B12R2.24 Cc1cnc2ccccc2n1 Amb4026338 [1,0,0,0,0,0|3,0,0]=4 280 B12R2.24 Cc1cnc2cccnc2c1 Amb26979817 [1,0,0,0,0,0|3,0,0]=4 281 B12R2.24 Cc1cnc2ncccc2c1 Amb26074359 [1,0,0,0,0,0|3,0,0]=4 282 B12R2.24 Clc1cc2ccccc2cn1 Amb10071462 [1,0,0,0,0,0|3,0,0]=4 283 B12R2.24 Clc1ccc2ccccc2c1 Amb6365655 [1,0,0,0,0,0|2,0,0]=3 284 B12R2.24 Clc1ccc2ccccc2n1 Amb2611299 [1,0,0,0,0,0|2,0,0]=3 285 B12R2.24 Clc1ccc2cccnc2c1 Amb10069239 [1,0,0,0,0,0|3,0,0]=4 286 B12R2.24 Clc1ccc2cccnc2n1 Amb9806399 [1,0,0,0,0,0|3,0,0]=4 287 B12R2.24 Clc1ccc2ccncc2c1 Amb32663641 [1,0,0,0,0,0|3,0,0]=4 288 B12R2.24 Clc1ccc2ccncc2c1 Amb4007488 [1,0,0,0,0,0|3,0,0]=4 289 B12R2.24 Clc1ccc2ccncc2n1 Amb4560931 [1,0,0,0,0,0|3,0,0]=4 290 B12R2.24 Clc1ccc2cnccc2c1 Amb10603859 [1,0,0,0,0,0|3,0,0]=4 291 B12R2.24 Clc1ccc2cnccc2n1 Amb10602045 [1,0,0,0,0,0|3,0,0]=4 292 B12R2.24 Clc1ccc2ncccc2c1 Amb749944 [1,0,0,0,0,0|3,0,0]=4 293 B12R2.24 Clc1ccc2ncccc2n1 Amb21856967 [1,0,0,0,0,0|3,0,0]=4 294 B12R2.24 Clc1cnc2ccccc2c1 Amb19515997 [1,0,0,0,0,0|2,0,0]=3 295 B12R2.24 Clc1cnc2ccccc2n1 Amb2371875 [1,0,0,0,0,0|3,0,0]=4 296 B12R2.24 Clc1cnc2ccncc2c1 Amb2609880 [1,0,0,0,0,0|3,0,0]=4 297 B12R2.24 Clc1cnc2ncccc2c1 Amb21864631 [1,0,0,0,0,0|3,0,0]=4 298 B12R2.24 Clc1ncc2ccccc2n1 Amb6316147 [1,0,0,0,0,0|3,0,0]=4 299 B12R2.24 FC1=Cc2ccccc2CC1 Amb26441264 [1,0,0,0,0,0|2,0,1]=4 300 B12R2.24 Fc1ccc2ccccc2c1 Amb5544291 [1,0,0,0,0,0|2,0,0]=3 301 B12R2.24 Fc1ccc2ccccc2n1 Amb20171185 [1,0,0,0,0,0|2,0,0]=3 302 B12R2.24 Fc1ccc2cccnc2c1 Amb2622129 [1,0,0,0,0,0|3,0,0]=4 303 B12R2.24 Fc1ccc2cccnc2n1 Amb24511773 [1,0,0,0,0,0|3,0,0]=4 304 B12R2.24 Fc1ccc2ccncc2c1 Amb19100617 [1,0,0,0,0,0|3,0,0]=4 305 B12R2.24 Fc1ccc2cnccc2c1 Amb19958275 [1,0,0,0,0,0|3,0,0]=4 306 B12R2.24 Fc1ccc2cnccc2n1 Amb27798977 [1,0,0,0,0,0|3,0,0]=4 307 B12R2.24 Fc1ccc2ncccc2c1 Amb22831215 [1,0,0,0,0,0|3,0,0]=4 308 B12R2.24 Fc1ccc2ncccc2c1 Amb6892892 [1,0,0,0,0,0|3,0,0]=4 309 B12R2.24 Fc1cnc2ccccc2c1 Amb22234447 [1,0,0,0,0,0|2,0,0]=3 310 B12R2.24 Ic1cc2ccccc2cn1 Amb22170100 [1,0,0,0,0,0|3,0,0]=4 311 B12R2.24 Ic1ccc2ccccc2c1 Amb4013025 [1,0,0,0,0,0|2,0,0]=3 312 B12R2.24 Ic1ccc2ccccc2n1 Amb10604284 [1,0,0,0,0,0|2,0,0]=3 313 B12R2.24 Ic1ccc2cccnc2c1 Amb21858708 [1,0,0,0,0,0|3,0,0]=4 314 B12R2.24 Ic1ccc2ccncc2c1 Amb22170101 [1,0,0,0,0,0|3,0,0]=4 315 B12R2.24 Ic1ccc2cnccc2c1 Amb10070847 [1,0,0,0,0,0|3,0,0]=4 316 B12R2.24 Ic1ccc2ncccc2c1 Amb10066910 [1,0,0,0,0,0|3,0,0]=4 317 B12R2.24 Ic1cnc2ccccc2c1 Amb19373724 [1,0,0,0,0,0|2,0,0]=3 318 B12R2.24 Ic1cnc2ccccc2n1 Amb24084425 [1,0,0,0,0,0|3,0,0]=4 319 B12R2.24 Ic1cnc2cccnc2c1 Amb13890060 [1,0,0,0,0,0|3,0,0]=4 320 B12R2.24 Ic1ncc2ccccc2n1 Amb27229523 [1,0,0,0,0,0|3,0,0]=4 321 B12R2.24 N=C1C=c2ccccc2=NC1 Amb24061571 [1,0,0,0,0,0|2,0,1]=4 322 B12R2.24 NC1=Cc2ccccc2NC1 Amb25079184 [1,0,0,0,0,0|2,0,1]=4 323 B12R2.24 NC1=Nc2ccccc2OC1 Amb18124903 [1,0,0,0,0,0|2,0,1]=4 324 B12R2.24 NC1C=Cc2ccccc2C1 Amb17470378 [1,0,0,0,0,0|2,0,1]=4 325 B12R2.24 NC1C=Cc2ccccc2O1 Amb24618074 [1,0,0,0,0,0|1,0,1]=3 326 B12R2.24 N[C@H]1C=Cc2ccccc2C1 Amb27779859 [1,0,0,0,0,0|2,0,1]=4 327 B12R2.24 Nc1cc2ccccc2cn1 Amb2722858 [1,0,0,0,0,0|3,0,0]=4 328 B12R2.24 Nc1cc2ccccc2nn1 Amb8438995 [1,0,0,0,0,0|3,0,0]=4 329 B12R2.24 Nc1ccc2ccccc2c1 Amb22057457 [1,0,0,0,0,0|2,0,0]=3 330 B12R2.24 Nc1ccc2ccccc2c1 Amb3940108 [1,0,0,0,0,0|2,0,0]=3 331 B12R2.24 Nc1ccc2ccccc2n1 Amb1152993 [1,0,0,0,0,0|2,0,0]=3 332 B12R2.24 Nc1ccc2cccnc2c1 Amb24183307 [1,0,0,0,0,0|3,0,0]=4 333 B12R2.24 Nc1ccc2cccnc2c1 Amb31217512 [1,0,0,0,0,0|3,0,0]=4 334 B12R2.24 Nc1ccc2cccnc2c1 Amb5717605 [1,0,0,0,0,0|3,0,0]=4 335 B12R2.24 Nc1ccc2cccnc2n1 Amb2795032 [1,0,0,0,0,0|3,0,0]=4 336 B12R2.24 Nc1ccc2ccncc2c1 Amb33456346 [1,0,0,0,0,0|3,0,0]=4 337 B12R2.24 Nc1ccc2ccncc2c1 Amb8011457 [1,0,0,0,0,0|3,0,0]=4 338 B12R2.24 Nc1ccc2ccncc2n1 Amb18124738 [1,0,0,0,0,0|3,0,0]=4 339 B12R2.24 Nc1ccc2cnccc2c1 Amb33527576 [1,0,0,0,0,0|3,0,0]=4 340 B12R2.24 Nc1ccc2cnccc2c1 Amb8010910 [1,0,0,0,0,0|3,0,0]=4 341 B12R2.24 Nc1ccc2cnccc2n1 Amb2796045 [1,0,0,0,0,0|3,0,0]=4 342 B12R2.24 Nc1ccc2cnccc2n1 Amb33329948 [1,0,0,0,0,0|3,0,0]=4 343 B12R2.24 Nc1ccc2ncccc2c1 Amb2721017 [1,0,0,0,0,0|3,0,0]=4 344 B12R2.24 Nc1ccc2ncccc2c1 Amb33536629 [1,0,0,0,0,0|3,0,0]=4 345 B12R2.24 Nc1ccc2ncccc2n1 Amb2696937 [1,0,0,0,0,0|3,0,0]=4 346 B12R2.24 Nc1cnc2ccccc2c1 Amb534917 [1,0,0,0,0,0|2,0,0]=3 347 B12R2.24 Nc1cnc2ccccc2n1 Amb4135072 [1,0,0,0,0,0|3,0,0]=4 348 B12R2.24 Nc1cnc2cccnc2c1 Amb13881251 [1,0,0,0,0,0|3,0,0]=4 349 B12R2.24 Nc1cnc2ccncc2c1 Amb18831471 [1,0,0,0,0,0|3,0,0]=4 350 B12R2.24 Nc1cnc2cnccc2c1 Amb24060730 [1,0,0,0,0,0|3,0,0]=4 351 B12R2.24 Nc1cnc2ncccc2c1 Amb8827554 [1,0,0,0,0,0|3,0,0]=4 352 B12R2.24 Nc1ncc2ccccc2n1 Amb8631314 [1,0,0,0,0,0|3,0,0]=4 353 B12R2.24 O=C1C=C2C=CC=CC2=CN1 Amb19958596 [1,0,0,0,0,0|2,0,0]=3 354 B12R2.24 O=C1C=C2C=CC=CC2=NN1 Amb21864850 [1,0,0,0,0,0|2,0,1]=4 355 B12R2.24 O=C1C=C2C=CC=NC2=CN1 Amb27239109 [1,0,0,0,0,0|3,0,0]=4 356 B12R2.24 O=C1C=C2N=CC=CC2=CN1 Amb27642614 [1,0,0,0,0,0|3,0,0]=4 357 B12R2.24 O=C1C=CN2N=CC=CC2=N1 Amb22497885 [1,0,0,0,0,0|3,0,0]=4 358 B12R2.24 O=C1C=Cc2ccccc2N1 Amb18546039 [1,0,0,0,0,0|1,0,0]=2 359 B12R2.24 O=C1C=Cc2ccccc2O1 Amb18511466 [1,0,0,0,0,0|0,0,0]=1 360 B12R2.24 O=C1C=Cc2ccccc2[N-]1 Amb21940629 [1,0,0,0,0,0|1,0,0]=2 361 B12R2.24 O=C1C=Cc2ccccc2[N-]1 Amb28991227 [1,0,0,0,0,0|1,0,0]=2 362 B12R2.24 O=C1C=Cc2cccnc2N1 Amb22001403 [1,0,0,0,0,0|2,0,0]=3 363 B12R2.24 O=C1C=Cc2ccncc2N1 Amb22493786 [1,0,0,0,0,0|2,0,0]=3 364 B12R2.24 O=C1C=Cc2ccncc2O1 Amb24395883 [1,0,0,0,0,0|1,0,0]=2 365 B12R2.24 O=C1C=Cc2cnccc2N1 Amb21618693 [1,0,0,0,0,0|2,0,0]=3 366 B12R2.24 O=C1C=Cc2ncccc2N1 Amb21856966 [1,0,0,0,0,0|2,0,0]=3 367 B12R2.24 O=C1C=Cc2nccnc2N1 Amb19957771 [1,0,0,0,0,0|3,0,0]=4 368 B12R2.24 O=C1C=Cc2ncncc2N1 Amb21811941 [1,0,0,0,0,0|3,0,0]=4 369 B12R2.24 O=C1C=Nc2ccccc2N1 Amb18372452 [1,0,0,0,0,0|2,0,0]=3 370 B12R2.24 O=C1C=Nc2cccnc2N1 Amb20461570 [1,0,0,0,0,0|3,0,0]=4 371 B12R2.24 O=C1C=Nc2ccncc2N1 Amb18016830 [1,0,0,0,0,0|3,0,0]=4 372 B12R2.24 O=C1CCc2ccccc2C1 Amb2383557 [1,0,0,0,0,0|1,0,2]=4 373 B12R2.24 O=C1CCc2ccccc2N1 Amb6358187 [1,0,0,0,0,0|1,0,2]=4 374 B12R2.24 O=C1CCc2ccccc2O1 Amb533490 [1,0,0,0,0,0|0,0,2]=3 375 B12R2.24 O=C1CNc2ccccc2C1 Amb18202302 [1,0,0,0,0,0|2,0,1]=4 376 B12R2.24 O=C1CNc2ccccc2N1 Amb6355388 [1,0,0,0,0,0|2,0,1]=4 377 B12R2.24 O=C1CNc2ccccc2O1 Amb22166855 [1,0,0,0,0,0|1,0,1]=3 378 B12R2.24 O=C1COc2ccccc2C1 Amb15692703 [1,0,0,0,0,0|0,0,3]=4 379 B12R2.24 O=C1COc2ccccc2N1 Amb1011836 [1,0,0,0,0,0|1,0,2]=4 380 B12R2.24 O=C1COc2ccccc2O1 Amb2759474 [1,0,0,0,0,0|1,0,1]=3 381 B12R2.24 O=C1CSc2ccccc2C1 Amb22231635 [1,0,0,0,0,0|2,0,1]=4 382 B12R2.24 O=C1CSc2ccccc2N1 Amb1007458 [1,0,0,0,0,0|2,0,1]=4 383 B12R2.24 O=C1Cc2ccccc2CN1 Amb33544470 [1,0,0,0,0,0|2,0,1]=4 384 B12R2.24 O=C1Cc2ccccc2CO1 Amb17750259 [1,0,0,0,0,0|2,0,1]=4 385 B12R2.24 O=C1N=Cc2ccccc2N1 Amb20653982 [1,0,0,0,0,0|2,0,0]=3 386 B12R2.24 O=C1N=Cc2ccccc2O1 Amb22054765 [1,0,0,0,0,0|1,0,0]=2 387 B12R2.24 O=C1NCc2ccccc2O1 Amb27468708 [1,0,0,0,0,0|1,0,1]=3 388 B12R2.24 O=C1Nc2ccccc2CO1 Amb19516356 [1,0,0,0,0,0|2,0,1]=4 389 B12R2.24 O=c1ccn2ccccc2c1 Amb2609671 [1,0,0,0,0,0|2,0,0]=3 390 B12R2.24 O=n1ccc2ccccc2c1 Amb20247039 [1,0,0,0,0,0|2,0,0]=3 391 B12R2.24 OC1=CC=C2C=CC=CN2C1 Amb17835334 [1,0,0,0,0,0|2,0,1]=4 392 B12R2.24 OC1=COc2ncccc2N1 Amb19516358 [1,0,0,0,0,0|2,0,0]=3 393 B12R2.24 OC1=Nc2ccccc2OC1 Amb22330533 [1,0,0,0,0,0|1,0,1]=3 394 B12R2.24 OC1C=Cc2ccccc2S1 Amb27394776 [1,0,0,0,0,0|0,1,2]=4 395 B12R2.24 OC1COc2ccccc2C1 Amb22498287 [1,0,0,0,0,0|0,0,3]=4 396 B12R2.24 OC1COc2ccccc2O1 Amb10552971 [1,0,0,0,0,0|1,0,2]=4 397 B12R2.24 O[C@@H]1COc2ccccc2C1 Amb28321438 [1,0,0,0,0,0|0,0,3]=4 398 B12R2.24 Oc1cc2ccccc2cn1 Amb10068513 [1,0,0,0,0,0|2,0,0]=3 399 B12R2.24 Oc1cc2cnccc2cn1 Amb25051663 [1,0,0,0,0,0|3,0,0]=4 400 B12R2.24 Oc1cc[n+]2ccccc2c1 Amb24309279 [1,0,0,0,0,0|2,0,0]=3 401 B12R2.24 Oc1ccc2c(c1)C=CCC2 Amb28075248 [1,0,0,0,0,0|1,0,2]=4 402 B12R2.24 Oc1ccc2c(c1)C=CCN2 Amb25998025 [1,0,0,0,0,0|2,0,1]=4 403 B12R2.24 Oc1ccc2c(c1)OCC=C2 Amb27804492 [1,0,0,0,0,0|2,0,1]=4 404 B12R2.24 Oc1ccc2ccccc2c1 Amb2609036 [1,0,0,0,0,0|1,0,0]=2 405 B12R2.24 Oc1ccc2cccnc2c1 Amb33204453 [1,0,0,0,0,0|2,0,0]=3 406 B12R2.24 Oc1ccc2cccnc2c1 Amb535010 [1,0,0,0,0,0|2,0,0]=3 407 B12R2.24 Oc1ccc2cccnc2n1 Amb9806398 [1,0,0,0,0,0|2,0,1]=4 408 B12R2.24 Oc1ccc2ccncc2c1 Amb1152014 [1,0,0,0,0,0|2,0,0]=3 409 B12R2.24 Oc1ccc2ccncc2c1 Amb19373209 [1,0,0,0,0,0|2,0,0]=3 410 B12R2.24 Oc1ccc2ccnnc2c1 Amb25319976 [1,0,0,0,0,0|3,0,0]=4 411 B12R2.24 Oc1ccc2cnccc2c1 Amb10067627 [1,0,0,0,0,0|2,0,0]=3 412 B12R2.24 Oc1ccc2cnccc2c1 Amb30325887 [1,0,0,0,0,0|2,0,0]=3 413 B12R2.24 Oc1ccc2cncnc2c1 Amb24066333 [1,0,0,0,0,0|3,0,0]=4 414 B12R2.24 Oc1ccc2cnncc2c1 Amb28284891 [1,0,0,0,0,0|3,0,0]=4 415 B12R2.24 Oc1ccc2ncccc2c1 Amb2609971 [1,0,0,0,0,0|2,0,0]=3 416 B12R2.24 Oc1ccc2nccnc2c1 Amb2548376 [1,0,0,0,0,0|3,0,0]=4 417 B12R2.24 Oc1ccc2ncncc2c1 Amb8484685 [1,0,0,0,0,0|3,0,0]=4 418 B12R2.24 Oc1ccc2nnccc2c1 Amb26871668 [1,0,0,0,0,0|3,0,0]=4 419 B12R2.24 Oc1cnc2ccccc2c1 Amb2610757 [1,0,0,0,0,0|1,0,0]=2 420 B12R2.24 Oc1cnc2ccccc2n1 Amb2603786 [1,0,0,0,0,0|2,0,0]=3 421 B12R2.24 Oc1cnc2cccnc2c1 Amb13890072 [1,0,0,0,0,0|2,0,0]=3 422 B12R2.24 Oc1cnc2ccncc2c1 Amb27265400 [1,0,0,0,0,0|2,0,0]=3 423 B12R2.24 Oc1cnc2ncccc2c1 Amb26616876 [1,0,0,0,0,0|2,0,0]=3 424 B12R2.24 Oc1cnc2ncccc2c1 Amb32653317 [1,0,0,0,0,0|2,0,0]=3 425 B12R2.24 Oc1cnc2nccnc2c1 Amb23401943 [1,0,0,0,0,0|3,0,0]=4 426 B12R2.24 Oc1nnc2ccccc2n1 Amb27445418 [1,0,0,0,0,0|3,0,0]=4 427 B12R2.24 S=C1C=Cc2ccccc2N1 Amb18526983 [1,0,0,0,0,0|1,1,0]=3 428 B12R2.24 S=C1C=Cc2cccnc2N1 Amb27233738 [1,0,0,0,0,0|2,1,0]=4 429 B12R2.24 S=C1C=Nc2ccccc2N1 Amb18043605 [1,0,0,0,0,0|2,1,0]=4 430 B12R2.24 S=C1COc2ccccc2N1 Amb10070958 [1,0,0,0,0,0|1,1,1]=4 431 B12R2.24 S=C1OCc2ccccc2O1 Amb28060956 [1,0,0,0,0,0|1,1,1]=4 432 B12R2.24 SC1=COc2ccccc2N1 Amb28204091 [1,0,0,0,0,0|1,1,0]=3 433 B12R2.24 Sc1ccc2ccccc2c1 Amb1152959 [1,0,0,0,0,0|1,1,0]=3 434 B12R2.24 Sc1ccc2ccccc2n1 Amb1151737 [1,0,0,0,0,0|1,1,0]=3 435 B12R2.24 Sc1ccc2cccnc2c1 Amb25885524 [1,0,0,0,0,0|2,1,0]=4 436 B12R2.24 Sc1ccc2ncccc2c1 Amb25076144 [1,0,0,0,0,0|2,1,0]=4 437 B12R2.24 Sc1cnc2ccccc2c1 Amb23440777 [1,0,0,0,0,0|1,1,0]=3 438 B12R2.24 Sc1cnc2ccccc2n1 Amb837074 [1,0,0,0,0,0|2,1,0]=4 439 B12R2.24 Sc1ncc2ccccc2n1 Amb27229522 [1,0,0,0,0,0|2,1,0]=4 440 B12R2.24 [Mg+]c1ccc2ccccc2c1 Amb22044011 [1,0,0,0,0,0|2,0,0]=3 441 B12R2.24 [O-][n+]1ccc2ccccc2c1 Amb2609972 [1,0,0,0,0,0|2,0,1]=4 442 B14R2.639 CC1(O)Oc2ccccc2NC1=O Amb28205899 [0,1,0,0,0,0|2,0,1]=4 443 B14R2.1128 BrCc1cc2ccccc2cc1I Amb26078041 [0,1,0,0,0,0|3,0,0]=4 444 B14R2.1128 C#CC1=Cc2ccccc2OC1=O Amb27186021 [0,1,0,0,0,0|1,0,0]=2 445 B14R2.1128 C#CC1=Nc2ccccc2NC1=O Amb29853352 [0,1,0,0,0,0|3,0,0]=4 446 B14R2.1128 C#Cc1cc2ccccc2cc1N Amb27393581 [0,1,0,0,0,0|3,0,0]=4 447 B14R2.1128 C#Cc1cc2ccccc2nc1Cl Amb22292332 [0,1,0,0,0,0|3,0,0]=4 448 B14R2.1128 C=CC1=Nc2ccccc2NC1=O Amb28252437 [0,1,0,0,0,0|3,0,0]=4 449 B14R2.1128 C=Cc1cc2ccccc2cc1O Amb28383138 [0,1,0,0,0,0|2,0,0]=3 450 B14R2.1128 C=Cc1cc2ccccc2nc1C Amb27959077 [0,1,0,0,0,0|3,0,0]=4 451 B14R2.1128 C=Cc1cc2ccccc2nc1Cl Amb25216291 [0,1,0,0,0,0|3,0,0]=4 452 B14R2.1128 C=Cc1nc2ccccc2cc1C Amb27209847 [0,1,0,0,0,0|3,0,0]=4 453 B14R2.1128 CC1=C(C=O)Oc2ccccc2S1 Amb27799849 [0,1,0,0,0,0|2,0,0]=3 454 B14R2.1128 CC1=Nc2ccccc2N\C1=N/O Amb19518000 [0,1,0,0,0,0|3,0,0]=4 455 B14R2.1128 CC1Oc2ccccc2C=C1C=O Amb2491693 [0,1,0,0,0,0|1,0,2]=4 456 B14R2.1128 CCC1=C(N)Nc2ccccc2O1 Amb27633874 [0,1,0,0,0,0|3,0,0]=4 457 B14R2.1128 CCC1=Cc2ccccc2NC1=O Amb22723317 [0,1,0,0,0,0|2,0,0]=3 458 B14R2.1128 CCC1=Nc2ccccc2NC1=O Amb19891159 [0,1,0,0,0,0|3,0,0]=4 459 B14R2.1128 CCc1cc2ccccc2cc1Br Amb32650448 [0,1,0,0,0,0|3,0,0]=4 460 B14R2.1128 CCc1cc2ccccc2cc1Cl Amb32650447 [0,1,0,0,0,0|3,0,0]=4 461 B14R2.1128 CCc1cc2ccccc2cc1O Amb25059607 [0,1,0,0,0,0|2,0,0]=3 462 B14R2.1128 CCc1cc2ccccc2nc1Br Amb17158083 [0,1,0,0,0,0|3,0,0]=4 463 B14R2.1128 CCc1cc2ccccc2nc1C Amb27391662 [0,1,0,0,0,0|3,0,0]=4 464 B14R2.1128 CCc1cc2ccccc2nc1Cl Amb9134222 [0,1,0,0,0,0|3,0,0]=4 465 B14R2.1128 CCc1cc2ccccc2nc1N Amb9134103 [0,1,0,0,0,0|3,0,0]=4 466 B14R2.1128 CCc1nc2ccccc2cc1Br Amb32695576 [0,1,0,0,0,0|3,0,0]=4 467 B14R2.1128 CCc1nc2ccccc2cc1N Amb26336609 [0,1,0,0,0,0|3,0,0]=4 468 B14R2.1128 CCc1nc2ccccc2cc1O Amb24749839 [0,1,0,0,0,0|2,0,0]=3 469 B14R2.1128 CNc1nc2ccccc2cc1C Amb27205570 [0,1,0,0,0,0|3,0,0]=4 470 B14R2.1128 CNc1nc2ccccc2cc1N Amb27415570 [0,1,0,0,0,0|3,0,0]=4 471 B14R2.1128 COC1=Cc2ccccc2OC1=O Amb23512578 [0,1,0,0,0,0|0,0,0]=1 472 B14R2.1128 COC1=Cc2ccncc2NC1=O Amb28364749 [0,1,0,0,0,0|2,0,0]=3 473 B14R2.1128 COC1=Cc2ncccc2NC1=O Amb27168932 [0,1,0,0,0,0|2,0,0]=3 474 B14R2.1128 COC1=Nc2cccnc2NC1=O Amb24674244 [0,1,0,0,0,0|3,0,0]=4 475 B14R2.1128 COc1cc2ccccc2cc1Br Amb22445934 [0,1,0,0,0,0|2,0,0]=3 476 B14R2.1128 COc1cc2ccccc2cc1C Amb24415328 [0,1,0,0,0,0|2,0,0]=3 477 B14R2.1128 COc1cc2ccccc2cc1Cl Amb24735700 [0,1,0,0,0,0|2,0,0]=3 478 B14R2.1128 COc1cc2ccccc2cc1I Amb26595184 [0,1,0,0,0,0|2,0,0]=3 479 B14R2.1128 COc1cc2ccccc2cc1N Amb18127045 [0,1,0,0,0,0|2,0,0]=3 480 B14R2.1128 COc1cc2ccccc2cc1O Amb6358072 [0,1,0,0,0,0|1,0,1]=3 481 B14R2.1128 COc1cc2ccccc2nc1Br Amb25739600 [0,1,0,0,0,0|2,0,0]=3 482 B14R2.1128 COc1cc2ccccc2nc1Cl Amb24534649 [0,1,0,0,0,0|2,0,0]=3 483 B14R2.1128 COc1cc2ccccc2nc1O Amb2612889 [0,1,0,0,0,0|1,0,1]=3 484 B14R2.1128 COc1cc2cccnc2cc1Br Amb23437339 [0,1,0,0,0,0|3,0,0]=4 485 B14R2.1128 COc1cc2cccnc2cc1C Amb22886999 [0,1,0,0,0,0|3,0,0]=4 486 B14R2.1128 COc1cc2cccnc2cc1Cl Amb23401102 [0,1,0,0,0,0|3,0,0]=4 487 B14R2.1128 COc1cc2cccnc2cc1F Amb19957347 [0,1,0,0,0,0|3,0,0]=4 488 B14R2.1128 COc1cc2cccnc2cc1I Amb23400929 [0,1,0,0,0,0|3,0,0]=4 489 B14R2.1128 COc1cc2cccnc2cc1N Amb24565737 [0,1,0,0,0,0|3,0,0]=4 490 B14R2.1128 COc1cc2ccncc2cc1Br Amb25999152 [0,1,0,0,0,0|3,0,0]=4 491 B14R2.1128 COc1cc2ccncc2cc1O Amb33528714 [0,1,0,0,0,0|2,0,1]=4 492 B14R2.1128 COc1cc2cnccc2cc1Br Amb25771927 [0,1,0,0,0,0|3,0,0]=4 493 B14R2.1128 COc1cc2cnccc2cc1F Amb25697053 [0,1,0,0,0,0|3,0,0]=4 494 B14R2.1128 COc1cc2cnccc2cc1I Amb24566749 [0,1,0,0,0,0|3,0,0]=4 495 B14R2.1128 COc1cc2cnccc2cc1N Amb18197674 [0,1,0,0,0,0|3,0,0]=4 496 B14R2.1128 COc1cc2cnccc2nc1C Amb28051261 [0,1,0,0,0,0|3,0,0]=4 497 B14R2.1128 COc1cc2ncccc2cc1Br Amb30594112 [0,1,0,0,0,0|3,0,0]=4 498 B14R2.1128 COc1cc2ncccc2cc1C Amb25869889 [0,1,0,0,0,0|3,0,0]=4 499 B14R2.1128 COc1cc2ncccc2cc1F Amb27593053 [0,1,0,0,0,0|3,0,0]=4 500 B14R2.1128 COc1cc2ncccc2cc1N Amb24427333 [0,1,0,0,0,0|3,0,0]=4 501 B14R2.1128 COc1nc2ccccc2cc1Br Amb10608360 [0,1,0,0,0,0|2,0,1]=4 502 B14R2.1128 COc1nc2ccccc2cc1Cl Amb24533657 [0,1,0,0,0,0|2,0,1]=4 503 B14R2.1128 COc1nc2ccccc2cc1N Amb27179996 [0,1,0,0,0,0|2,0,1]=4 504 B14R2.1128 COc1nc2ccccc2cc1O Amb27476171 [0,1,0,0,0,0|1,0,1]=3 505 B14R2.1128 COc1nc2ccccc2cc1S Amb32729752 [0,1,0,0,0,0|1,1,1]=4 506 B14R2.1128 COc1nc2ccccc2nc1Cl Amb8386355 [0,1,0,0,0,0|3,0,0]=4 507 B14R2.1128 COc1nc2ccccc2nc1F Amb35593850 [0,1,0,0,0,0|3,0,0]=4 508 B14R2.1128 COc1nc2ccccc2nc1I Amb28051615 [0,1,0,0,0,0|3,0,0]=4 509 B14R2.1128 COc1nc2ccccc2nc1N Amb18127415 [0,1,0,0,0,0|3,0,0]=4 510 B14R2.1128 CSC1=Cc2ccccc2OC1=O Amb27623644 [0,1,0,0,0,0|0,1,0]=2 511 B14R2.1128 CSc1cc2ccccc2nc1O Amb24564502 [0,1,0,0,0,0|1,1,1]=4 512 B14R2.1128 CSc1nc2ccccc2cc1Br Amb27209717 [0,1,0,0,0,0|2,1,0]=4 513 B14R2.1128 Cc1cc2ccccc2cc1C#N Amb27265786 [0,1,0,0,0,0|3,0,0]=4 514 B14R2.1128 Cc1cc2ccccc2cc1CBr Amb17778929 [0,1,0,0,0,0|3,0,0]=4 515 B14R2.1128 Cc1cc2ccccc2cc1CCl Amb17778928 [0,1,0,0,0,0|3,0,0]=4 516 B14R2.1128 Cc1cc2ccccc2cc1CN Amb24665750 [0,1,0,0,0,0|3,0,0]=4 517 B14R2.1128 Cc1cc2ccccc2cc1CO Amb25943382 [0,1,0,0,0,0|2,0,0]=3 518 B14R2.1128 Cc1cc2ccccc2nc1C#N Amb22002124 [0,1,0,0,0,0|3,0,0]=4 519 B14R2.1128 Cc1cc2ccccc2nc1C=O Amb22372301 [0,1,0,0,0,0|2,0,0]=3 520 B14R2.1128 Cc1cc2ccccc2nc1CBr Amb22498481 [0,1,0,0,0,0|3,0,0]=4 521 B14R2.1128 Cc1cc2ccccc2nc1CCl Amb22498479 [0,1,0,0,0,0|3,0,0]=4 522 B14R2.1128 Cc1cc2ccccc2nc1CN Amb17578253 [0,1,0,0,0,0|3,0,0]=4 523 B14R2.1128 Cc1cc2ccccc2nc1CO Amb22498485 [0,1,0,0,0,0|2,0,1]=4 524 B14R2.1128 Cc1cc2ccccc2nc1NN Amb5746565 [0,1,0,0,0,0|3,0,0]=4 525 B14R2.1128 Cc1cc2ncccc2cc1C=O Amb25956006 [0,1,0,0,0,0|3,0,0]=4 526 B14R2.1128 Cc1nc2ccccc2cc1C=O Amb25178959 [0,1,0,0,0,0|2,0,1]=4 527 B14R2.1128 Cc1nc2ccccc2cc1CI Amb28062546 [0,1,0,0,0,0|3,0,0]=4 528 B14R2.1128 Cc1nc2ccccc2cc1CN Amb17578252 [0,1,0,0,0,0|3,0,0]=4 529 B14R2.1128 Cc1nc2ccccc2cc1CO Amb27804004 [0,1,0,0,0,0|2,0,0]=3 530 B14R2.1128 Cc1nc2ccccc2cc1NN Amb26946674 [0,1,0,0,0,0|3,0,0]=4 531 B14R2.1128 Cc1nc2ccccc2nc1C=O Amb6322184 [0,1,0,0,0,0|3,0,0]=4 532 B14R2.1128 ClCc1cc2ccccc2cc1Br Amb25365052 [0,1,0,0,0,0|3,0,0]=4 533 B14R2.1128 ClCc1cc2ccccc2nc1Cl Amb1154286 [0,1,0,0,0,0|3,0,0]=4 534 B14R2.1128 Clc1cc2ccccc2cc1CBr Amb25958393 [0,1,0,0,0,0|3,0,0]=4 535 B14R2.1128 Clc1nc2ccccc2cc1CBr Amb24105731 [0,1,0,0,0,0|3,0,0]=4 536 B14R2.1128 FCc1cc2ccccc2nc1Cl Amb25141192 [0,1,0,0,0,0|3,0,0]=4 537 B14R2.1128 Fc1cc2ccccc2cc1CBr Amb26078253 [0,1,0,0,0,0|3,0,0]=4 538 B14R2.1128 Fc1cc2ccccc2cc1CCl Amb26319359 [0,1,0,0,0,0|3,0,0]=4 539 B14R2.1128 Fc1cc2ccccc2nc1CCl Amb27612866 [0,1,0,0,0,0|3,0,0]=4 540 B14R2.1128 N#CC1=C(N)Oc2ccccc2C1 Amb19337145 [0,1,0,0,0,0|2,0,1]=4 541 B14R2.1128 N#CC1=Cc2ccccc2NC1=O Amb18003107 [0,1,0,0,0,0|2,0,0]=3 542 B14R2.1128 N#CC1=Cc2ccccc2OC1=N Amb18048521 [0,1,0,0,0,0|2,0,0]=3 543 B14R2.1128 N#CC1=Cc2ccccc2OC1=O Amb18531768 [0,1,0,0,0,0|1,0,0]=2 544 B14R2.1128 N#CC1=Cc2cccnc2NC1=O Amb19895271 [0,1,0,0,0,0|3,0,0]=4 545 B14R2.1128 N#CC1=Cc2cnccc2NC1=O Amb25815326 [0,1,0,0,0,0|3,0,0]=4 546 B14R2.1128 N#CC1=Nc2ccccc2NC1=O Amb18126753 [0,1,0,0,0,0|3,0,0]=4 547 B14R2.1128 N#Cc1cc2ccccc2cc1Br Amb25771839 [0,1,0,0,0,0|3,0,0]=4 548 B14R2.1128 N#Cc1cc2ccccc2cc1Cl Amb27968319 [0,1,0,0,0,0|3,0,0]=4 549 B14R2.1128 N#Cc1cc2ccccc2cc1F Amb26636420 [0,1,0,0,0,0|3,0,0]=4 550 B14R2.1128 N#Cc1cc2ccccc2cc1I Amb27870832 [0,1,0,0,0,0|3,0,0]=4 551 B14R2.1128 N#Cc1cc2ccccc2cc1N Amb2613372 [0,1,0,0,0,0|3,0,0]=4 552 B14R2.1128 N#Cc1cc2ccccc2cc1O Amb27591627 [0,1,0,0,0,0|2,0,0]=3 553 B14R2.1128 N#Cc1cc2ccccc2nc1Br Amb33545684 [0,1,0,0,0,0|3,0,0]=4 554 B14R2.1128 N#Cc1cc2ccccc2nc1Cl Amb33527338 [0,1,0,0,0,0|3,0,0]=4 555 B14R2.1128 N#Cc1cc2ccccc2nc1F Amb35642413 [0,1,0,0,0,0|3,0,0]=4 556 B14R2.1128 N#Cc1cc2ccccc2nc1N Amb6315774 [0,1,0,0,0,0|3,0,0]=4 557 B14R2.1128 N#Cc1cc2cccnc2cc1O Amb25097189 [0,1,0,0,0,0|3,0,0]=4 558 B14R2.1128 N#Cc1cc2ncccc2cc1O Amb25219998 [0,1,0,0,0,0|3,0,0]=4 559 B14R2.1128 N#Cc1nc2ccccc2cc1Br Amb18134854 [0,1,0,0,0,0|3,0,0]=4 560 B14R2.1128 N#Cc1nc2ccccc2cc1Cl Amb27808504 [0,1,0,0,0,0|3,0,0]=4 561 B14R2.1128 N#Cc1nc2ccccc2cc1I Amb32685577 [0,1,0,0,0,0|3,0,0]=4 562 B14R2.1128 N#Cc1nc2ccccc2cc1N Amb23400485 [0,1,0,0,0,0|3,0,0]=4 563 B14R2.1128 N#Cc1nc2ccccc2cc1O Amb24655868 [0,1,0,0,0,0|2,0,0]=3 564 B14R2.1128 NCC1=Cc2ccccc2NC1=O Amb17991271 [0,1,0,0,0,0|2,0,0]=3 565 B14R2.1128 NCC1=Cc2ccccc2NC1=O Amb18908960 [0,1,0,0,0,0|2,0,0]=3 566 B14R2.1128 NCC1=Cc2ccccc2OC1=O Amb18908987 [0,1,0,0,0,0|1,0,0]=2 567 B14R2.1128 NCC1=Cc2ccccc2OC1=O Amb32686597 [0,1,0,0,0,0|1,0,0]=2 568 B14R2.1128 NCC1=Cc2cccnc2NC1=O Amb18252246 [0,1,0,0,0,0|3,0,0]=4 569 B14R2.1128 NCC1=Cc2ccncc2NC1=O Amb32668058 [0,1,0,0,0,0|3,0,0]=4 570 B14R2.1128 NCC1=Cc2cnccc2NC1=O Amb32668056 [0,1,0,0,0,0|3,0,0]=4 571 B14R2.1128 NCc1cc2ccccc2cc1Br Amb25980274 [0,1,0,0,0,0|3,0,0]=4 572 B14R2.1128 NCc1cc2ccccc2cc1Cl Amb25299156 [0,1,0,0,0,0|3,0,0]=4 573 B14R2.1128 NCc1cc2ccccc2cc1I Amb24448245 [0,1,0,0,0,0|3,0,0]=4 574 B14R2.1128 NCc1cc2ccccc2cc1N Amb18944641 [0,1,0,0,0,0|3,0,0]=4 575 B14R2.1128 NCc1cc2ccccc2cc1O Amb26044834 [0,1,0,0,0,0|2,0,0]=3 576 B14R2.1128 NCc1cc2ccccc2nc1Br Amb22497904 [0,1,0,0,0,0|3,0,0]=4 577 B14R2.1128 NCc1cc2ccccc2nc1Cl Amb22396141 [0,1,0,0,0,0|3,0,0]=4 578 B14R2.1128 NCc1cc2ccccc2nc1I Amb25802785 [0,1,0,0,0,0|3,0,0]=4 579 B14R2.1128 NCc1nc2ccccc2cc1Br Amb27608922 [0,1,0,0,0,0|3,0,0]=4 580 B14R2.1128 NCc1nc2ccccc2cc1N Amb23399949 [0,1,0,0,0,0|3,0,0]=4 581 B14R2.1128 NNC1=Nc2ccccc2NC1=O Amb18127652 [0,1,0,0,0,0|3,0,0]=4 582 B14R2.1128 NNc1cc2ccccc2cc1O Amb27830653 [0,1,0,0,0,0|2,0,0]=3 583 B14R2.1128 NNc1cc2ccccc2nc1Cl Amb33057602 [0,1,0,0,0,0|3,0,0]=4 584 B14R2.1128 NNc1nc2ccccc2cc1N Amb27234434 [0,1,0,0,0,0|3,0,0]=4 585 B14R2.1128 NNc1nc2ccccc2nc1O Amb1351727 [0,1,0,0,0,0|3,0,0]=4 586 B14R2.1128 Nc1cc2ccccc2cc1C=O Amb25782655 [0,1,0,0,0,0|2,0,0]=3 587 B14R2.1128 Nc1cc2ccccc2cc1CBr Amb27180804 [0,1,0,0,0,0|3,0,0]=4 588 B14R2.1128 Nc1cc2ccccc2cc1CCl Amb27862433 [0,1,0,0,0,0|3,0,0]=4 589 B14R2.1128 Nc1cc2ccccc2cc1CO Amb19959319 [0,1,0,0,0,0|2,0,0]=3 590 B14R2.1128 Nc1cc2ccccc2nc1C=O Amb23401878 [0,1,0,0,0,0|2,0,0]=3 591 B14R2.1128 Nc1cc2ccccc2nc1CO Amb18127225 [0,1,0,0,0,0|2,0,1]=4 592 B14R2.1128 Nc1nc2ccccc2cc1C=O Amb24624679 [0,1,0,0,0,0|2,0,1]=4 593 B14R2.1128 Nc1nc2ccccc2cc1CO Amb18946793 [0,1,0,0,0,0|2,0,0]=3 594 B14R2.1128 Nc1nc2ccccc2nc1C=O Amb25794060 [0,1,0,0,0,0|3,0,0]=4 595 B14R2.1128 O=C1Nc2ccccc2C=C1CCl Amb18015274 [0,1,0,0,0,0|2,0,0]=3 596 B14R2.1128 O=C1Nc2ccccc2C=C1CO Amb18528795 [0,1,0,0,0,0|1,0,0]=2 597 B14R2.1128 O=C1Nc2ccccc2C=C1NO Amb27827448 [0,1,0,0,0,0|1,0,0]=2 598 B14R2.1128 O=C1Nc2ccccc2N=C1CBr Amb18026153 [0,1,0,0,0,0|3,0,0]=4 599 B14R2.1128 O=C1Nc2ccccc2N=C1CCl Amb24723234 [0,1,0,0,0,0|3,0,0]=4 600 B14R2.1128 O=C1Nc2ccccc2N=C1NO Amb20641462 [0,1,0,0,0,0|2,0,0]=3 601 B14R2.1128 O=C1Nc2ccccc2NC1CO Amb9777133 [0,1,0,0,0,0|2,0,1]=4 602 B14R2.1128 O=C1Nc2ccccc2N[C@@H]1CO Amb24567701 [0,1,0,0,0,0|2,0,1]=4 603 B14R2.1128 O=C1Nc2ccccc2O[C@H]1CO Amb27618136 [0,1,0,0,0,0|2,0,1]=4 604 B14R2.1128 O=C1Nc2ncccc2C=C1CBr Amb25338287 [0,1,0,0,0,0|3,0,0]=4 605 B14R2.1128 O=C1Oc2ccccc2C=C1CBr Amb27239513 [0,1,0,0,0,0|1,0,0]=2 606 B14R2.1128 O=C1Oc2ccccc2C=C1CCl Amb21937093 [0,1,0,0,0,0|1,0,0]=2 607 B14R2.1128 O=C1Oc2ccccc2C\C1=N\O Amb27441913 [0,1,0,0,0,0|0,0,1]=2 608 B14R2.1128 O=C1Oc2ccccc2N=C1NO Amb20641490 [0,1,0,0,0,0|1,0,0]=2 609 B14R2.1128 O=C1Sc2ccccc2N=C1NO Amb20641550 [0,1,0,0,0,0|1,1,0]=3 610 B14R2.1128 O=CC1=C(Cl)Nc2ccccc2S1 Amb27751277 [0,1,0,0,0,0|2,1,0]=4 611 B14R2.1128 O=CC1=C(O)Nc2ccccc2N1 Amb27265827 [0,1,0,0,0,0|2,0,0]=3 612 B14R2.1128 O=CC1=Cc2ccccc2NC1=O Amb18014582 [0,1,0,0,0,0|1,0,1]=3 613 B14R2.1128 O=CC1=Cc2ccccc2OC1=O Amb18647793 [0,1,0,0,0,0|0,0,1]=2 614 B14R2.1128 O=Cc1cc2ccccc2cc1Cl Amb18650675 [0,1,0,0,0,0|2,0,0]=3 615 B14R2.1128 O=Cc1cc2ccccc2cc1F Amb18647802 [0,1,0,0,0,0|2,0,0]=3 616 B14R2.1128 O=Cc1cc2ccccc2cc1I Amb27223051 [0,1,0,0,0,0|2,0,0]=3 617 B14R2.1128 O=Cc1cc2ccccc2cc1O Amb5494028 [0,1,0,0,0,0|1,0,0]=2 618 B14R2.1128 O=Cc1cc2ccccc2nc1Cl Amb6334856 [0,1,0,0,0,0|2,0,1]=4 619 B14R2.1128 O=Cc1cc2ccccc2nc1F Amb27179991 [0,1,0,0,0,0|2,0,1]=4 620 B14R2.1128 O=Cc1cc2ccccc2nc1I Amb21897312 [0,1,0,0,0,0|2,0,1]=4 621 B14R2.1128 O=Cc1cc2ccccc2nc1O Amb1794818 [0,1,0,0,0,0|2,0,0]=3 622 B14R2.1128 O=Cc1cc2ccccc2nc1S Amb1153030 [0,1,0,0,0,0|1,1,1]=4 623 B14R2.1128 O=Cc1cc2cccnc2cc1Br Amb27180877 [0,1,0,0,0,0|3,0,0]=4 624 B14R2.1128 O=Cc1cc2cccnc2cc1F Amb20076039 [0,1,0,0,0,0|3,0,0]=4 625 B14R2.1128 O=Cc1cc2cccnc2cc1O Amb24432684 [0,1,0,0,0,0|2,0,0]=3 626 B14R2.1128 O=Cc1nc2ccccc2cc1Br Amb19516501 [0,1,0,0,0,0|2,0,0]=3 627 B14R2.1128 O=Cc1nc2ccccc2cc1Cl Amb25859966 [0,1,0,0,0,0|2,0,0]=3 628 B14R2.1128 O=Cc1nc2ccccc2cc1F Amb22547353 [0,1,0,0,0,0|2,0,0]=3 629 B14R2.1128 O=Cc1nc2ccccc2cc1I Amb27487355 [0,1,0,0,0,0|2,0,0]=3 630 B14R2.1128 O=Cc1nc2ccccc2nc1Br Amb26864091 [0,1,0,0,0,0|3,0,0]=4 631 B14R2.1128 O=Cc1nc2ccccc2nc1Cl Amb18651347 [0,1,0,0,0,0|3,0,0]=4 632 B14R2.1128 O=Cc1nc2ccccc2nc1I Amb24549250 [0,1,0,0,0,0|3,0,0]=4 633 B14R2.1128 O=Cc1nc2ccccc2nc1O Amb17594377 [0,1,0,0,0,0|2,0,0]=3 634 B14R2.1128 O=c1nc2ccccc2n\c1=N\O Amb2786676 [0,1,0,0,0,0|2,0,0]=3 635 B14R2.1128 OCc1cc2ccccc2cc1Br Amb27814189 [0,1,0,0,0,0|2,0,0]=3 636 B14R2.1128 OCc1cc2ccccc2cc1Cl Amb26512048 [0,1,0,0,0,0|2,0,0]=3 637 B14R2.1128 OCc1cc2ccccc2cc1F Amb25927086 [0,1,0,0,0,0|2,0,0]=3 638 B14R2.1128 OCc1cc2ccccc2cc1I Amb27949521 [0,1,0,0,0,0|2,0,0]=3 639 B14R2.1128 OCc1cc2ccccc2cc1O Amb18127196 [0,1,0,0,0,0|1,0,1]=3 640 B14R2.1128 OCc1cc2ccccc2nc1Cl Amb696676 [0,1,0,0,0,0|2,0,0]=3 641 B14R2.1128 OCc1cc2ccccc2nc1I Amb24309344 [0,1,0,0,0,0|2,0,0]=3 642 B14R2.1128 OCc1nc2ccccc2cc1Br Amb27218089 [0,1,0,0,0,0|2,0,1]=4 643 B14R2.1128 OCc1nc2ccccc2cc1I Amb25262837 [0,1,0,0,0,0|2,0,1]=4 644 B14R2.1128 O\N=C1\Oc2ccccc2CC1O Amb28066022 [0,1,0,0,0,0|0,0,3]=4 645 B14R2.1128 Oc1cc2ccccc2cc1CBr Amb26316705 [0,1,0,0,0,0|2,0,0]=3 646 B14R2.1128 Oc1cc2ccccc2cc1CCl Amb26053532 [0,1,0,0,0,0|2,0,0]=3 647 B14R2.1128 Oc1nc2ccccc2cc1CS Amb32788331 [0,1,0,0,0,0|1,1,1]=4 648 B14R2.1128 Oc1nc2ccccc2nc1CBr Amb2612678 [0,1,0,0,0,0|3,0,0]=4 649 B14R2.1128 SCc1cc2ccccc2nc1Cl Amb33057606 [0,1,0,0,0,0|2,1,0]=4 650 B14R2.1128 [C-]#[N+]c1cc2ccccc2nc1Cl Amb33058686 [0,1,0,0,0,0|3,0,0]=4 651 B14R2.8188 Brc1nc2ccccc2c(Br)c1Br Amb2609654 [0,1,0,0,0,0|3,0,0]=4 652 B14R2.8188 C=C1c2ccccc2NC(=O)N1C Amb25309633 [0,1,0,0,0,0|3,0,0]=4 653 B14R2.8188 CC1=C(Br)C(=O)Nc2ccccc21 Amb19650649 [0,1,0,0,0,0|2,0,0]=3 654 B14R2.8188 CC1=C(C)C(=O)c2ccccc2N1 Amb18180399 [0,1,0,0,0,0|3,0,0]=4 655 B14R2.8188 CC1=C(C)C(=O)c2cnccc2O1 Amb28066698 [0,1,0,0,0,0|3,0,0]=4 656 B14R2.8188 CC1=C(C)C(=S)c2ccccc2N1 Amb19553674 [0,1,0,0,0,0|3,0,0]=4 657 B14R2.8188 CC1=C(C)c2ccccc2OC1=O Amb20247473 [0,1,0,0,0,0|1,0,0]=2 658 B14R2.8188 CC1=C(Cl)C(=O)c2ccccc2O1 Amb27953690 [0,1,0,0,0,0|2,0,0]=3 659 B14R2.8188 CC1=C(Cl)c2ccccc2NC1=O Amb28457180 [0,1,0,0,0,0|2,0,0]=3 660 B14R2.8188 CC1=C(I)C(=O)c2ccccc2N1 Amb23533648 [0,1,0,0,0,0|3,0,0]=4 661 B14R2.8188 CC1=C(N)C(=O)Oc2ccccc21 Amb18127405 [0,1,0,0,0,0|1,0,0]=2 662 B14R2.8188 CC1=C(N)C(=O)c2ccccc2N1 Amb18647838 [0,1,0,0,0,0|3,0,0]=4 663 B14R2.8188 CC1=C(N)c2ccccc2NC1=O Amb25097050 [0,1,0,0,0,0|2,0,0]=3 664 B14R2.8188 CC1=C(O)C(=O)Nc2ccccc21 Amb22752590 [0,1,0,0,0,0|1,0,0]=2 665 B14R2.8188 CC1=C(O)C(=O)c2ccccc2N1 Amb20171457 [0,1,0,0,0,0|2,0,0]=3 666 B14R2.8188 CC1=C(O)C(=O)c2ccccc2O1 Amb24633658 [0,1,0,0,0,0|1,0,0]=2 667 B14R2.8188 CC1=C(O)c2ccccc2NC1=O Amb22752589 [0,1,0,0,0,0|2,0,0]=3 668 B14R2.8188 CC1=C(S)Oc2ccccc2C1=O Amb28045714 [0,1,0,0,0,0|1,1,0]=3 669 B14R2.8188 CC1=C2C=CC=CC2=NC(=O)C1Cl Amb22015274 [0,1,0,0,0,0|2,0,1]=4 670 B14R2.8188 CC1=C2C=CC=CC2=NC(=O)C1F Amb22015275 [0,1,0,0,0,0|2,0,1]=4 671 B14R2.8188 CC1=Cc2ccccc2N(C)C1=O Amb22904186 [0,1,0,0,0,0|2,0,0]=3 672 B14R2.8188 CC1=Nc2ccccc2C(=O)N1O Amb19748303 [0,1,0,0,0,0|3,0,0]=4 673 B14R2.8188 CC1=Nc2ccccc2N(C)C1=O Amb19652902 [0,1,0,0,0,0|3,0,0]=4 674 B14R2.8188 CC1=Nc2ccccc2N(N)C1=O Amb28319544 [0,1,0,0,0,0|3,0,0]=4 675 B14R2.8188 CC1=Nc2ccccc2N(O)C1=O Amb27205386 [0,1,0,0,0,0|3,0,0]=4 676 B14R2.8188 CC1C(=O)Nc2ccccc2C1=O Amb35735225 [0,1,0,0,0,0|2,0,1]=4 677 B14R2.8188 CC1Oc2ccccc2C(=O)C1O Amb27867004 [0,1,0,0,0,0|1,0,2]=4 678 B14R2.8188 CN1C(=O)C(=O)Nc2ccccc21 Amb19516760 [0,1,0,0,0,0|2,0,1]=4 679 B14R2.8188 CN1C(=O)C(Br)=Cc2ccccc21 Amb20246919 [0,1,0,0,0,0|2,0,0]=3 680 B14R2.8188 CN1C(=O)C(F)=Cc2ccccc21 Amb22547226 [0,1,0,0,0,0|2,0,0]=3 681 B14R2.8188 CN1C(=O)C(N)=Cc2ccccc21 Amb18065259 [0,1,0,0,0,0|2,0,0]=3 682 B14R2.8188 CN1C(=O)C(O)=Nc2ncccc21 Amb23557988 [0,1,0,0,0,0|3,0,0]=4 683 B14R2.8188 CN1C(=O)Cc2ccccc2C1=O Amb2406825 [0,1,0,0,0,0|3,0,0]=4 684 B14R2.8188 CN1C(=O)Nc2ccccc2C1=O Amb19372548 [0,1,0,0,0,0|3,0,0]=4 685 B14R2.8188 CN1C(=O)Oc2ccccc2C1=O Amb26599905 [0,1,0,0,0,0|2,0,0]=3 686 B14R2.8188 Cc1c(Br)c(=O)oc2ccccc12 Amb2797846 [0,1,0,0,0,0|1,0,0]=2 687 B14R2.8188 Cc1c(Br)c(Cl)nc2ccccc12 Amb23556984 [0,1,0,0,0,0|3,0,0]=4 688 B14R2.8188 Cc1c(Br)c(O)nc2ccccc12 Amb8439017 [0,1,0,0,0,0|2,0,1]=4 689 B14R2.8188 Cc1c(Br)nc2ccccc2c1C Amb27852752 [0,1,0,0,0,0|3,0,0]=4 690 B14R2.8188 Cc1c(Cl)c(O)cc2cccnc12 Amb27641337 [0,1,0,0,0,0|3,0,0]=4 691 B14R2.8188 Cc1c(Cl)cc2ccccc2c1N Amb27955183 [0,1,0,0,0,0|3,0,0]=4 692 B14R2.8188 Cc1c(Cl)nc2ccccc2c1Cl Amb2610213 [0,1,0,0,0,0|3,0,0]=4 693 B14R2.8188 Cc1c(N)c(N)nc2ccccc12 Amb27490957 [0,1,0,0,0,0|3,0,0]=4 694 B14R2.8188 Cc1c(O)cc2ccccc2c1C Amb24309351 [0,1,0,0,0,0|2,0,0]=3 695 B14R2.8188 Cc1c(O)cc2ccccc2c1O Amb27589809 [0,1,0,0,0,0|2,0,0]=3 696 B14R2.8188 Cc1c(O)nc2ccccc2c1C Amb17594354 [0,1,0,0,0,0|2,0,1]=4 697 B14R2.8188 Cc1cc2ccccc2c(Br)c1C Amb2388319 [0,1,0,0,0,0|3,0,0]=4 698 B14R2.8188 Cc1cc2ccccc2c(Br)c1O Amb27604330 [0,1,0,0,0,0|2,0,0]=3 699 B14R2.8188 Cc1cc2ccccc2c(C)c1C Amb6296864 [0,1,0,0,0,0|3,0,0]=4 700 B14R2.8188 Cc1cc2ccccc2c(I)c1C Amb4019468 [0,1,0,0,0,0|3,0,0]=4 701 B14R2.8188 Cc1cc2ccccc2c(N)c1C Amb18647536 [0,1,0,0,0,0|3,0,0]=4 702 B14R2.8188 Cc1cc2ccccc2c(N)c1C Amb32413941 [0,1,0,0,0,0|3,0,0]=4 703 B14R2.8188 Cc1cc2cccnc2c(C)c1O Amb27476093 [0,1,0,0,0,0|3,0,0]=4 704 B14R2.8188 Cc1cc2ncccc2c(C)c1O Amb28344072 [0,1,0,0,0,0|3,0,0]=4 705 B14R2.8188 Cc1nc2ccccc2[n+]([O-])c1O Amb26017784 [0,1,0,0,0,0|3,0,0]=4 706 B14R2.8188 Cc1nc2ccccc2c(Br)c1Cl Amb20239720 [0,1,0,0,0,0|3,0,0]=4 707 B14R2.8188 Cc1nc2ccccc2c(Br)c1O Amb15695061 [0,1,0,0,0,0|2,0,0]=3 708 B14R2.8188 Cc1nc2ccccc2c(C)c1C Amb1421566 [0,1,0,0,0,0|3,0,0]=4 709 B14R2.8188 Cc1nc2ccccc2c(C)c1Cl Amb23555807 [0,1,0,0,0,0|3,0,0]=4 710 B14R2.8188 Cc1nc2ccccc2c(Cl)c1Br Amb20239854 [0,1,0,0,0,0|3,0,0]=4 711 B14R2.8188 Cc1nc2ccccc2c(Cl)c1C Amb19050431 [0,1,0,0,0,0|3,0,0]=4 712 B14R2.8188 Cc1nc2ccccc2c(Cl)c1I Amb23536188 [0,1,0,0,0,0|3,0,0]=4 713 B14R2.8188 Cc1nc2ccccc2c(N)c1Br Amb20239946 [0,1,0,0,0,0|3,0,0]=4 714 B14R2.8188 Cc1nc2ccccc2c(N)c1C Amb18943873 [0,1,0,0,0,0|3,0,0]=4 715 B14R2.8188 Cc1nc2ccccc2c(O)c1Br Amb20239810 [0,1,0,0,0,0|3,0,0]=4 716 B14R2.8188 Cc1nc2ccccc2c(O)c1C Amb10604258 [0,1,0,0,0,0|3,0,0]=4 717 B14R2.8188 Cc1nc2ccccc2c(O)c1Cl Amb18130041 [0,1,0,0,0,0|3,0,0]=4 718 B14R2.8188 Cc1oc2ccccc2c(=O)c1C Amb4303041 [0,1,0,0,0,0|2,0,0]=3 719 B14R2.8188 Clc1cc2ccccc2c(Cl)c1Cl Amb27625091 [0,1,0,0,0,0|3,0,0]=4 720 B14R2.8188 Clc1nc2ccccc2c(Cl)c1Br Amb21961810 [0,1,0,0,0,0|3,0,0]=4 721 B14R2.8188 Clc1nc2ccccc2c(Cl)c1I Amb22546714 [0,1,0,0,0,0|3,0,0]=4 722 B14R2.8188 Cn1c(=O)c(N)nc2ccccc21 Amb8439682 [0,1,0,0,0,0|3,0,0]=4 723 B14R2.8188 Fc1c(I)c(Br)cc2ccccc12 Amb16185878 [0,1,0,0,0,0|3,0,0]=4 724 B14R2.8188 Ic1cc2ccccc2c(I)c1I Amb27812275 [0,1,0,0,0,0|3,0,0]=4 725 B14R2.8188 NC1=C(Br)C(=O)c2ccccc2S1 Amb28400849 [0,1,0,0,0,0|2,1,0]=4 726 B14R2.8188 NC1=C(Br)Oc2ccccc2C1=O Amb28077923 [0,1,0,0,0,0|2,0,0]=3 727 B14R2.8188 NC1=C(Br)Sc2ccccc2C1=O Amb28243133 [0,1,0,0,0,0|2,1,0]=4 728 B14R2.8188 NC1=C(Cl)C(=O)c2ccccc2O1 Amb27180146 [0,1,0,0,0,0|2,0,0]=3 729 B14R2.8188 NC1=C(Cl)Oc2ccccc2C1=O Amb27476005 [0,1,0,0,0,0|2,0,0]=3 730 B14R2.8188 NC1=C(Cl)Sc2ccccc2C1=O Amb27642327 [0,1,0,0,0,0|2,1,0]=4 731 B14R2.8188 NC1=C(N)c2ccccc2OC1=O Amb18647951 [0,1,0,0,0,0|1,0,0]=2 732 B14R2.8188 NC1=C(O)C(=O)Oc2ccccc21 Amb28255541 [0,1,0,0,0,0|0,0,0]=1 733 B14R2.8188 NC1=C(O)C(=O)c2ccccc2O1 Amb28054811 [0,1,0,0,0,0|1,0,0]=2 734 B14R2.8188 NC1=C(O)Nc2ccccc2N1O Amb27445463 [0,1,0,0,0,0|3,0,0]=4 735 B14R2.8188 NC1=Cc2ccccc2N(O)C1=O Amb27244820 [0,1,0,0,0,0|2,0,0]=3 736 B14R2.8188 NN1C(=O)C(=O)Nc2ccccc21 Amb25828466 [0,1,0,0,0,0|2,0,1]=4 737 B14R2.8188 NN1C(=O)Cc2ccccc2C1=O Amb33533381 [0,1,0,0,0,0|3,0,0]=4 738 B14R2.8188 NN1C(=O)Nc2ccccc2C1=O Amb18186048 [0,1,0,0,0,0|3,0,0]=4 739 B14R2.8188 Nc1c(Br)c(Cl)nc2ccccc12 Amb26849160 [0,1,0,0,0,0|3,0,0]=4 740 B14R2.8188 Nc1c(Br)cc2ccccc2c1Br Amb2616472 [0,1,0,0,0,0|3,0,0]=4 741 B14R2.8188 Nc1c(Cl)c(Cl)nc2ccccc12 Amb27461956 [0,1,0,0,0,0|3,0,0]=4 742 B14R2.8188 Nc1c(Cl)c(O)nc2ccccc12 Amb24119519 [0,1,0,0,0,0|2,0,1]=4 743 B14R2.8188 Nc1c(Cl)cc2ccccc2c1F Amb28048868 [0,1,0,0,0,0|3,0,0]=4 744 B14R2.8188 Nc1c(Cl)cc2ccccc2c1O Amb28250138 [0,1,0,0,0,0|3,0,0]=4 745 B14R2.8188 Nc1c(Cl)nc2ccccc2c1Cl Amb22753411 [0,1,0,0,0,0|3,0,0]=4 746 B14R2.8188 Nc1c(Cl)nc2ccccc2c1N Amb26608816 [0,1,0,0,0,0|3,0,0]=4 747 B14R2.8188 Nc1c(F)cc2ccccc2c1Cl Amb27597491 [0,1,0,0,0,0|3,0,0]=4 748 B14R2.8188 Nc1c(O)c(O)cc2ccccc12 Amb17594436 [0,1,0,0,0,0|1,0,1]=3 749 B14R2.8188 Nc1c(O)cc2ccccc2c1N Amb17594400 [0,1,0,0,0,0|2,0,0]=3 750 B14R2.8188 Nc1cc2ccccc2c(N)c1O Amb17594395 [0,1,0,0,0,0|2,0,0]=3 751 B14R2.8188 Nc1cc2ccccc2c(O)c1O Amb17594426 [0,1,0,0,0,0|2,0,0]=3 752 B14R2.8188 Nc1nc2ccccc2c(Br)c1Br Amb26535911 [0,1,0,0,0,0|3,0,0]=4 753 B14R2.8188 Nc1nc2ccccc2c(Br)c1Cl Amb25323913 [0,1,0,0,0,0|3,0,0]=4 754 B14R2.8188 Nc1nc2ccccc2c(Br)c1N Amb27951733 [0,1,0,0,0,0|3,0,0]=4 755 B14R2.8188 Nc1nc2ccccc2c(O)c1N Amb27632319 [0,1,0,0,0,0|3,0,0]=4 756 B14R2.8188 Nc1nc2ccccc2c(O)c1O Amb27453637 [0,1,0,0,0,0|2,0,0]=3 757 B14R2.8188 O=C1C(=O)c2ccccc2C=C1Cl Amb27404598 [0,1,0,0,0,0|2,0,0]=3 758 B14R2.8188 O=C1C(=O)c2ccccc2C=C1O Amb17594373 [0,1,0,0,0,0|1,0,0]=2 759 B14R2.8188 O=C1C(O)Oc2ccccc2N1O Amb9824609 [0,1,0,0,0,0|2,0,1]=4 760 B14R2.8188 O=C1Cc2ccccc2C(=O)N1O Amb10553629 [0,1,0,0,0,0|2,0,0]=3 761 B14R2.8188 O=C1Nc2ccccc2C(=O)C1=O Amb26519857 [0,1,0,0,0,0|1,0,1]=3 762 B14R2.8188 O=C1Nc2ccccc2C(Cl)=C1Br Amb23533718 [0,1,0,0,0,0|2,0,0]=3 763 B14R2.8188 O=C1Nc2ccccc2C(O)=C1F Amb19667464 [0,1,0,0,0,0|2,0,0]=3 764 B14R2.8188 O=C1Nc2ccccc2C(O)=C1O Amb21912810 [0,1,0,0,0,0|1,0,0]=2 765 B14R2.8188 O=C1Nc2ccccc2C(O)C1O Amb28120097 [0,1,0,0,0,0|1,0,2]=4 766 B14R2.8188 O=C1Oc2ccccc2C(Br)C1Br Amb2137043 [0,1,0,0,0,0|1,0,2]=4 767 B14R2.8188 O=C1Oc2ccccc2C(O)=C1Br Amb19517267 [0,1,0,0,0,0|1,0,0]=2 768 B14R2.8188 O=C1Oc2ccccc2C(O)=C1O Amb28243097 [0,1,0,0,0,0|0,0,0]=1 769 B14R2.8188 O=C1Oc2ccccc2[C@H](O)[C@@H]1O Amb27631997 [0,1,0,0,0,0|0,0,2]=3 770 B14R2.8188 Oc1c(Cl)c(Cl)cc2ccccc12 Amb17595761 [0,1,0,0,0,0|3,0,0]=4 771 B14R2.8188 Oc1c(Cl)cc2ccccc2c1Cl Amb17595764 [0,1,0,0,0,0|2,0,0]=3 772 B14R2.8188 Oc1c(Cl)cc2ccccc2c1O Amb27949113 [0,1,0,0,0,0|2,0,0]=3 773 B14R2.8188 Oc1cc2ccccc2c(Br)c1O Amb28435398 [0,1,0,0,0,0|1,0,1]=3 774 B14R2.8188 Oc1cc2ccccc2c(Cl)c1Cl Amb17595770 [0,1,0,0,0,0|2,0,0]=3 775 B14R2.8188 Oc1cc2ccccc2c(O)c1O Amb17594459 [0,1,0,0,0,0|1,0,1]=3 776 B14R2.8239 C=C1Nc2cc(C)ccc2NC1=O Amb25222560 [0,1,0,0,0,0|3,0,0]=4 777 B14R2.8239 C=C1Nc2ccc(C)cc2NC1=O Amb25996380 [0,1,0,0,0,0|3,0,0]=4 778 B14R2.8239 CC1=C(N)Nc2cc(C)ccc2O1 Amb27748681 [0,1,0,0,0,0|3,0,0]=4 779 B14R2.8239 CC1=C(N)Nc2cc(Cl)ccc2O1 Amb27415642 [0,1,0,0,0,0|3,0,0]=4 780 B14R2.8239 CC1=C(N)Nc2ccc(C)cc2O1 Amb27845562 [0,1,0,0,0,0|3,0,0]=4 781 B14R2.8239 CC1=Cc2cc(Br)cnc2NC1=O Amb22497903 [0,1,0,0,0,0|3,0,0]=4 782 B14R2.8239 CC1=Cc2cc(C)ccc2NC1=O Amb24703263 [0,1,0,0,0,0|2,0,0]=3 783 B14R2.8239 CC1=Cc2cc(N)ccc2NC1=O Amb18529717 [0,1,0,0,0,0|2,0,0]=3 784 B14R2.8239 CC1=Cc2cc(O)ccc2NC1=O Amb18538502 [0,1,0,0,0,0|2,0,0]=3 785 B14R2.8239 CC1=Cc2ccc(C)cc2NC1=O Amb24670978 [0,1,0,0,0,0|2,0,0]=3 786 B14R2.8239 CC1=Cc2ccc(Cl)cc2NC1=O Amb27751346 [0,1,0,0,0,0|2,0,0]=3 787 B14R2.8239 CC1=Cc2ccc(F)cc2OC1=O Amb33719440 [0,1,0,0,0,0|1,0,0]=2 788 B14R2.8239 CC1=Cc2ccc(N)cc2NC1=O Amb18537355 [0,1,0,0,0,0|2,0,0]=3 789 B14R2.8239 CC1=Cc2ccc(O)cc2NC1=O Amb22752603 [0,1,0,0,0,0|2,0,0]=3 790 B14R2.8239 CC1=Cc2ccc(O)cc2OC1=O Amb18127560 [0,1,0,0,0,0|1,0,0]=2 791 B14R2.8239 CC1=Nc2cc(Br)ccc2NC1=O Amb20412635 [0,1,0,0,0,0|3,0,0]=4 792 B14R2.8239 CC1=Nc2ccc(Br)cc2NC1=O Amb19657942 [0,1,0,0,0,0|3,0,0]=4 793 B14R2.8239 CC1=Nc2ccc(C)cc2NC1=O Amb20412682 [0,1,0,0,0,0|3,0,0]=4 794 B14R2.8239 CC1=Nc2ccc(Cl)cc2NC1=O Amb20412679 [0,1,0,0,0,0|3,0,0]=4 795 B14R2.8239 CC1=Nc2ccc(N)cc2OC1=O Amb18028962 [0,1,0,0,0,0|2,0,0]=3 796 B14R2.8239 CC1Cc2cc(F)ccc2OC1=O Amb27254150 [0,1,0,0,0,0|1,0,2]=4 797 B14R2.8239 CC1Cc2ccc(O)cc2OC1=O Amb27427122 [0,1,0,0,0,0|1,0,2]=4 798 B14R2.8239 CC1Nc2cc(Cl)ccc2OC1=O Amb17217250 [0,1,0,0,0,0|2,0,1]=4 799 B14R2.8239 CN1Cc2cc(Br)ccc2OC1=O Amb17844347 [0,1,0,0,0,0|2,0,1]=4 800 B14R2.8239 CN1Cc2cc(N)ccc2OC1=O Amb35751952 [0,1,0,0,0,0|2,0,1]=4 801 B14R2.8239 CN1Cc2cc(N)ccc2OC1=O Amb35753089 [0,1,0,0,0,0|2,0,1]=4 802 B14R2.8239 Cc1cc2c(cc1O)OC(=O)C=C2 Amb18127564 [0,1,0,0,0,0|3,0,0]=4 803 B14R2.8239 Cc1cc2cc(Br)ccc2nc1C Amb32684855 [0,1,0,0,0,0|3,0,0]=4 804 B14R2.8239 Cc1cc2cc(Br)ccc2nc1Cl Amb1994745 [0,1,0,0,0,0|3,0,0]=4 805 B14R2.8239 Cc1cc2cc(Br)ccc2nc1S Amb27603591 [0,1,0,0,0,0|2,1,0]=4 806 B14R2.8239 Cc1cc2cc(Cl)ccc2nc1Br Amb17162527 [0,1,0,0,0,0|3,0,0]=4 807 B14R2.8239 Cc1cc2cc(Cl)ccc2nc1C Amb22755382 [0,1,0,0,0,0|3,0,0]=4 808 B14R2.8239 Cc1cc2cc(Cl)ccc2nc1Cl Amb1994358 [0,1,0,0,0,0|3,0,0]=4 809 B14R2.8239 Cc1cc2cc(Cl)ccc2nc1N Amb1994290 [0,1,0,0,0,0|3,0,0]=4 810 B14R2.8239 Cc1cc2cc(Cl)ccc2nc1S Amb25198540 [0,1,0,0,0,0|2,1,0]=4 811 B14R2.8239 Cc1cc2cc(F)ccc2nc1Br Amb17158882 [0,1,0,0,0,0|3,0,0]=4 812 B14R2.8239 Cc1cc2cc(F)ccc2nc1C Amb32684881 [0,1,0,0,0,0|3,0,0]=4 813 B14R2.8239 Cc1cc2cc(F)ccc2nc1Cl Amb1994530 [0,1,0,0,0,0|3,0,0]=4 814 B14R2.8239 Cc1cc2cc(F)ccc2nc1N Amb1994296 [0,1,0,0,0,0|3,0,0]=4 815 B14R2.8239 Cc1cc2cc(F)ccc2nc1S Amb28316686 [0,1,0,0,0,0|2,1,0]=4 816 B14R2.8239 Cc1cc2cc(N)ccc2nc1Cl Amb17064878 [0,1,0,0,0,0|3,0,0]=4 817 B14R2.8239 Cc1cc2cc(O)ccc2nc1Cl Amb17235854 [0,1,0,0,0,0|3,0,0]=4 818 B14R2.8239 Cc1cc2ccc(Br)cc2nc1C Amb32684854 [0,1,0,0,0,0|3,0,0]=4 819 B14R2.8239 Cc1cc2ccc(Br)cc2nc1Cl Amb1994534 [0,1,0,0,0,0|3,0,0]=4 820 B14R2.8239 Cc1cc2ccc(Cl)cc2nc1Br Amb17162526 [0,1,0,0,0,0|3,0,0]=4 821 B14R2.8239 Cc1cc2ccc(Cl)cc2nc1Cl Amb1994535 [0,1,0,0,0,0|3,0,0]=4 822 B14R2.8239 Cc1cc2ccc(Cl)cc2nc1S Amb26862317 [0,1,0,0,0,0|2,1,0]=4 823 B14R2.8239 Cc1cc2ccc(F)cc2nc1Br Amb17158881 [0,1,0,0,0,0|3,0,0]=4 824 B14R2.8239 Cc1cc2ccc(F)cc2nc1Cl Amb1994540 [0,1,0,0,0,0|3,0,0]=4 825 B14R2.8239 Cc1cc2ccc(F)cc2nc1N Amb1994297 [0,1,0,0,0,0|3,0,0]=4 826 B14R2.8239 Cc1cc2ccc(F)cc2nc1S Amb25800900 [0,1,0,0,0,0|2,1,0]=4 827 B14R2.8239 Cc1cc2oc(=O)ccc2cc1O Amb2677270 [0,1,0,0,0,0|3,0,0]=4 828 B14R2.8239 Cc1ccc2c(c1)C=C(Br)C(=O)O2 Amb23580464 [0,1,0,0,0,0|1,0,0]=2 829 B14R2.8239 Cc1ccc2c(c1)C=C(N)C(=O)O2 Amb26054633 [0,1,0,0,0,0|1,0,0]=2 830 B14R2.8239 Cc1ccc2c(c1)C=C(O)C(=O)N2 Amb22752606 [0,1,0,0,0,0|1,0,0]=2 831 B14R2.8239 Cc1ccc2c(c1)CC(=O)C(=O)O2 Amb28144182 [0,1,0,0,0,0|0,0,2]=3 832 B14R2.8239 Cc1ccc2c(c1)C[C@H](O)C(=O)N2 Amb28205939 [0,1,0,0,0,0|1,0,2]=4 833 B14R2.8239 Cc1ccc2c(c1)N=C(Cl)C(=O)N2 Amb27427018 [0,1,0,0,0,0|3,0,0]=4 834 B14R2.8239 Cc1ccc2c(c1)N=C(N)C(=N)O2 Amb27180301 [0,1,0,0,0,0|3,0,0]=4 835 B14R2.8239 Cc1ccc2c(c1)N=C(N)C(=O)O2 Amb18647952 [0,1,0,0,0,0|2,0,0]=3 836 B14R2.8239 Cc1ccc2c(c1)NC(=O)C(=O)N2 Amb18043058 [0,1,0,0,0,0|2,0,1]=4 837 B14R2.8239 Cc1ccc2c(c1)NC(=O)C(F)=C2 Amb27184526 [0,1,0,0,0,0|2,0,0]=3 838 B14R2.8239 Cc1ccc2c(c1)NC(=O)C(O)=C2 Amb22752604 [0,1,0,0,0,0|1,0,0]=2 839 B14R2.8239 Cc1ccc2c(c1)NC(=S)C(=O)O2 Amb28388649 [0,1,0,0,0,0|1,1,0]=3 840 B14R2.8239 Cc1ccc2c(c1)NC(C)C(=O)O2 Amb17217251 [0,1,0,0,0,0|2,0,1]=4 841 B14R2.8239 Cc1ccc2c(n1)NC(=O)C(Br)=C2 Amb23455854 [0,1,0,0,0,0|3,0,0]=4 842 B14R2.8239 Cc1ccc2cc(C)c(Br)nc2c1 Amb26039245 [0,1,0,0,0,0|3,0,0]=4 843 B14R2.8239 Cc1ccc2cc(C)c(C)cc2c1 Amb2747944 [0,1,0,0,0,0|3,0,0]=4 844 B14R2.8239 Cc1ccc2cc(C)c(Cl)nc2c1 Amb1994496 [0,1,0,0,0,0|3,0,0]=4 845 B14R2.8239 Cc1ccc2cc(C)c(S)nc2c1 Amb2785688 [0,1,0,0,0,0|2,1,0]=4 846 B14R2.8239 Cc1ccc2cc(O)c(C)cc2n1 Amb28122444 [0,1,0,0,0,0|3,0,0]=4 847 B14R2.8239 Cc1ccc2nc(Br)c(C)cc2c1 Amb17158082 [0,1,0,0,0,0|3,0,0]=4 848 B14R2.8239 Cc1ccc2nc(C)c(O)cc2c1 Amb33133959 [0,1,0,0,0,0|2,0,0]=3 849 B14R2.8239 Cc1ccc2nc(Cl)c(Br)cc2c1 Amb23449340 [0,1,0,0,0,0|3,0,0]=4 850 B14R2.8239 Cc1ccc2nc(Cl)c(C)cc2c1 Amb1994494 [0,1,0,0,0,0|3,0,0]=4 851 B14R2.8239 Cc1ccc2nc(Cl)c(Cl)cc2c1 Amb26939655 [0,1,0,0,0,0|3,0,0]=4 852 B14R2.8239 Cc1ccc2nc(N)c(Br)cc2c1 Amb23449355 [0,1,0,0,0,0|3,0,0]=4 853 B14R2.8239 Cc1ccc2nc(N)c(C)cc2c1 Amb9134100 [0,1,0,0,0,0|3,0,0]=4 854 B14R2.8239 Cc1ccc2nc(S)c(C)cc2c1 Amb2785693 [0,1,0,0,0,0|2,1,0]=4 855 B14R2.8239 Cc1nc2cc(Br)ccc2cc1O Amb33134036 [0,1,0,0,0,0|2,0,0]=3 856 B14R2.8239 Cc1nc2cc(Cl)ccc2cc1N Amb20239531 [0,1,0,0,0,0|3,0,0]=4 857 B14R2.8239 Cc1nc2cc(Cl)ccc2cc1N Amb22753391 [0,1,0,0,0,0|3,0,0]=4 858 B14R2.8239 Cc1nc2cc(Cl)ccc2cc1O Amb33134124 [0,1,0,0,0,0|2,0,0]=3 859 B14R2.8239 Cc1nc2cc(F)ccc2cc1O Amb33133993 [0,1,0,0,0,0|2,0,0]=3 860 B14R2.8239 Cc1nc2ccc(Br)cc2cc1O Amb22496218 [0,1,0,0,0,0|2,0,0]=3 861 B14R2.8239 Cc1nc2ccc(Cl)cc2cc1O Amb32416795 [0,1,0,0,0,0|2,0,0]=3 862 B14R2.8239 Cc1nc2ccc(F)cc2cc1O Amb32416801 [0,1,0,0,0,0|2,0,0]=3 863 B14R2.8239 Cc1nc2ccc(N)cc2cc1O Amb33133854 [0,1,0,0,0,0|2,0,0]=3 864 B14R2.8239 Clc1cc2cc(I)ccc2nc1Cl Amb23449343 [0,1,0,0,0,0|3,0,0]=4 865 B14R2.8239 Clc1ccc2cc(Br)c(Cl)nc2c1 Amb27845525 [0,1,0,0,0,0|3,0,0]=4 866 B14R2.8239 Clc1ccc2cc(Cl)c(Cl)cc2c1 Amb17620877 [0,1,0,0,0,0|3,0,0]=4 867 B14R2.8239 Clc1ccc2nc(Cl)c(Br)cc2c1 Amb23449318 [0,1,0,0,0,0|3,0,0]=4 868 B14R2.8239 Clc1nc2cc(Br)ccc2cc1Br Amb27797157 [0,1,0,0,0,0|3,0,0]=4 869 B14R2.8239 Clc1nc2ccc(Br)cc2cc1Br Amb23449321 [0,1,0,0,0,0|3,0,0]=4 870 B14R2.8239 Clc1nc2ccc(Br)cc2cc1I Amb27399551 [0,1,0,0,0,0|3,0,0]=4 871 B14R2.8239 Fc1cc2cc(Cl)ccc2nc1Br Amb22547362 [0,1,0,0,0,0|3,0,0]=4 872 B14R2.8239 Fc1ccc2cc(Br)c(Cl)nc2c1 Amb27669835 [0,1,0,0,0,0|3,0,0]=4 873 B14R2.8239 Fc1ccc2cc(F)c(Br)nc2c1 Amb22547382 [0,1,0,0,0,0|3,0,0]=4 874 B14R2.8239 Fc1ccc2nc(Cl)c(Br)cc2c1 Amb23449322 [0,1,0,0,0,0|3,0,0]=4 875 B14R2.8239 Fc1ccc2nc(Cl)c(Cl)cc2c1 Amb23449323 [0,1,0,0,0,0|3,0,0]=4 876 B14R2.8239 N=C1Cc2cc(N)ccc2OC1=O Amb28366042 [0,1,0,0,0,0|1,0,1]=3 877 B14R2.8239 N=C1Oc2ccc(Cl)cc2N=C1N Amb27179948 [0,1,0,0,0,0|3,0,0]=4 878 B14R2.8239 NC1=Cc2cc(Br)ccc2OC1=O Amb25116013 [0,1,0,0,0,0|1,0,0]=2 879 B14R2.8239 NC1=Cc2cc(F)ccc2OC1=O Amb27631411 [0,1,0,0,0,0|1,0,0]=2 880 B14R2.8239 NC1=Cc2cc(N)ccc2OC1=O Amb26033314 [0,1,0,0,0,0|1,0,0]=2 881 B14R2.8239 NC1=Cc2cc(O)ccc2OC1=O Amb25189956 [0,1,0,0,0,0|1,0,0]=2 882 B14R2.8239 NC1=Nc2cc(Cl)ccc2NC1=O Amb27238644 [0,1,0,0,0,0|3,0,0]=4 883 B14R2.8239 NC1=Nc2cc(Cl)ccc2OC1=O Amb24309782 [0,1,0,0,0,0|2,0,0]=3 884 B14R2.8239 NC1=Nc2ccc(Br)cc2NC1=O Amb27771981 [0,1,0,0,0,0|3,0,0]=4 885 B14R2.8239 Nc1cc2cc(Br)ccc2cc1O Amb28123732 [0,1,0,0,0,0|2,0,0]=3 886 B14R2.8239 Nc1cc2ccc(Br)cc2nc1Cl Amb25159109 [0,1,0,0,0,0|3,0,0]=4 887 B14R2.8239 Nc1cc2ccc(Br)cc2nc1Cl Amb32666554 [0,1,0,0,0,0|3,0,0]=4 888 B14R2.8239 Nc1cc2ccc(Cl)cc2nc1Cl Amb27869755 [0,1,0,0,0,0|3,0,0]=4 889 B14R2.8239 Nc1cc2ccc(O)cc2cc1O Amb27393167 [0,1,0,0,0,0|2,0,0]=3 890 B14R2.8239 Nc1ccc2c(c1)C=C(Br)C(=O)O2 Amb28185190 [0,1,0,0,0,0|1,0,0]=2 891 B14R2.8239 Nc1ccc2c(c1)NC(=O)C(=O)N2 Amb18038531 [0,1,0,0,0,0|2,0,1]=4 892 B14R2.8239 Nc1ccc2c(c1)NC(=O)C(=O)N2 Amb21955545 [0,1,0,0,0,0|2,0,1]=4 893 B14R2.8239 Nc1ccc2c(c1)NC(=O)C(O)=C2 Amb26622269 [0,1,0,0,0,0|1,0,0]=2 894 B14R2.8239 Nc1ccc2c(n1)NC(=O)C(I)=C2 Amb23510058 [0,1,0,0,0,0|3,0,0]=4 895 B14R2.8239 Nc1ccc2cc(Cl)c(Cl)cc2c1 Amb27949604 [0,1,0,0,0,0|3,0,0]=4 896 B14R2.8239 Nc1nc2ccc(Cl)cc2cc1Br Amb33715569 [0,1,0,0,0,0|3,0,0]=4 897 B14R2.8239 Nc1nc2ccc(F)cc2cc1Br Amb23449359 [0,1,0,0,0,0|3,0,0]=4 898 B14R2.8239 O=C1C=Cc2cc(O)c(O)cc2O1 Amb18511463 [0,1,0,0,0,0|2,0,1]=4 899 B14R2.8239 O=C1Cc2ccc(O)cc2OC1=O Amb28351683 [0,1,0,0,0,0|0,0,2]=3 900 B14R2.8239 O=C1Nc2cc(Br)ccc2C=C1O Amb25041039 [0,1,0,0,0,0|1,0,0]=2 901 B14R2.8239 O=C1Nc2cc(Br)ccc2N=C1Cl Amb27963102 [0,1,0,0,0,0|3,0,0]=4 902 B14R2.8239 O=C1Nc2cc(Cl)ccc2C=C1F Amb27868400 [0,1,0,0,0,0|2,0,0]=3 903 B14R2.8239 O=C1Nc2cc(Cl)ccc2C=C1O Amb28186631 [0,1,0,0,0,0|1,0,0]=2 904 B14R2.8239 O=C1Nc2cc(Cl)ccc2N=C1Cl Amb27815873 [0,1,0,0,0,0|3,0,0]=4 905 B14R2.8239 O=C1Nc2cc(Cl)ccc2OC1O Amb26449481 [0,1,0,0,0,0|2,0,1]=4 906 B14R2.8239 O=C1Nc2cc(Cl)cnc2C=C1O Amb27792917 [0,1,0,0,0,0|2,0,0]=3 907 B14R2.8239 O=C1Nc2cc(F)ccc2C=C1F Amb22547386 [0,1,0,0,0,0|2,0,0]=3 908 B14R2.8239 O=C1Nc2cc(F)cnc2C=C1O Amb27793269 [0,1,0,0,0,0|2,0,0]=3 909 B14R2.8239 O=C1Nc2ccc(Br)cc2C=C1Br Amb26331489 [0,1,0,0,0,0|2,0,0]=3 910 B14R2.8239 O=C1Nc2ccc(Br)cc2C=C1I Amb26327962 [0,1,0,0,0,0|2,0,0]=3 911 B14R2.8239 O=C1Nc2ccc(Br)cc2C=C1O Amb25866612 [0,1,0,0,0,0|1,0,0]=2 912 B14R2.8239 O=C1Nc2ccc(Br)cc2CC1O Amb22899291 [0,1,0,0,0,0|1,0,2]=4 913 B14R2.8239 O=C1Nc2ccc(Br)cc2NC1=O Amb18541037 [0,1,0,0,0,0|2,0,1]=4 914 B14R2.8239 O=C1Nc2ccc(Cl)cc2C=C1Br Amb23450241 [0,1,0,0,0,0|2,0,0]=3 915 B14R2.8239 O=C1Nc2ccc(Cl)cc2C=C1F Amb22547371 [0,1,0,0,0,0|2,0,0]=3 916 B14R2.8239 O=C1Nc2ccc(Cl)cc2C=C1O Amb24658218 [0,1,0,0,0,0|1,0,0]=2 917 B14R2.8239 O=C1Nc2ccc(Cl)cc2NC1=O Amb18043060 [0,1,0,0,0,0|2,0,1]=4 918 B14R2.8239 O=C1Nc2ccc(F)cc2C=C1Br Amb23451834 [0,1,0,0,0,0|2,0,0]=3 919 B14R2.8239 O=C1Nc2ccc(F)cc2C=C1Cl Amb23451835 [0,1,0,0,0,0|2,0,0]=3 920 B14R2.8239 O=C1Nc2ccc(F)cc2C=C1F Amb22641642 [0,1,0,0,0,0|2,0,0]=3 921 B14R2.8239 O=C1Nc2ccc(F)cc2C=C1O Amb25124313 [0,1,0,0,0,0|1,0,0]=2 922 B14R2.8239 O=C1Nc2ccc(F)cc2N=C1Cl Amb27618344 [0,1,0,0,0,0|3,0,0]=4 923 B14R2.8239 O=C1Nc2ccc(F)cc2NC1=O Amb18043059 [0,1,0,0,0,0|2,0,1]=4 924 B14R2.8239 O=C1Nc2ccc(F)cc2OC1O Amb27243174 [0,1,0,0,0,0|2,0,1]=4 925 B14R2.8239 O=C1Nc2ccc(I)cc2NC1=O Amb24488714 [0,1,0,0,0,0|2,0,1]=4 926 B14R2.8239 O=C1Nc2ccc(O)cc2C=C1Cl Amb18035970 [0,1,0,0,0,0|2,0,0]=3 927 B14R2.8239 O=C1Nc2ccc(O)cc2NC1=O Amb18128049 [0,1,0,0,0,0|2,0,1]=4 928 B14R2.8239 O=C1Nc2ccc(O)cc2OC1O Amb22168797 [0,1,0,0,0,0|2,0,1]=4 929 B14R2.8239 O=C1Nc2ncc(Cl)cc2C=C1O Amb27170935 [0,1,0,0,0,0|2,0,0]=3 930 B14R2.8239 O=C1Oc2cc(Br)ccc2C=C1Br Amb28051742 [0,1,0,0,0,0|1,0,0]=2 931 B14R2.8239 O=C1Oc2cc(O)ccc2C=C1Br Amb24556387 [0,1,0,0,0,0|1,0,0]=2 932 B14R2.8239 O=C1Oc2cc(O)ccc2C=C1O Amb26377380 [0,1,0,0,0,0|0,0,0]=1 933 B14R2.8239 O=C1Oc2ccc(Br)cc2C=C1Br Amb26974401 [0,1,0,0,0,0|1,0,0]=2 934 B14R2.8239 O=C1Oc2ccc(Cl)cc2C=C1Br Amb23580471 [0,1,0,0,0,0|1,0,0]=2 935 B14R2.8239 O=C1Oc2ccc(Cl)cc2NC1Cl Amb27248306 [0,1,0,0,0,0|2,0,1]=4 936 B14R2.8239 O=C1Oc2ccc(F)cc2C=C1Br Amb23580472 [0,1,0,0,0,0|1,0,0]=2 937 B14R2.8239 O=C1Oc2ccc(O)cc2C=C1O Amb28367070 [0,1,0,0,0,0|0,0,0]=1 938 B14R2.8239 Oc1cc2cc(Br)cnc2cc1Cl Amb22396338 [0,1,0,0,0,0|3,0,0]=4 939 B14R2.8239 Oc1cc2cc(Cl)ccc2nc1Br Amb25320239 [0,1,0,0,0,0|2,0,0]=3 940 B14R2.8239 Oc1cc2cc(Cl)ccc2nc1Cl Amb27231513 [0,1,0,0,0,0|2,0,0]=3 941 B14R2.8239 Oc1cc2cc(F)ccc2nc1Cl Amb28282561 [0,1,0,0,0,0|2,0,0]=3 942 B14R2.8239 Oc1cc2ccc(Cl)cc2cc1Cl Amb17595771 [0,1,0,0,0,0|2,0,0]=3 943 B14R2.8239 Oc1cc2ccc(Cl)cc2nc1Cl Amb27203959 [0,1,0,0,0,0|2,0,0]=3 944 B14R2.8239 Oc1cc2ccc(S)cc2cc1O Amb28351592 [0,1,0,0,0,0|1,0,1]=3 945 B14R2.8239 Oc1ccc2cc(Br)c(O)cc2c1 Amb28130965 [0,1,0,0,0,0|2,0,0]=3 946 B14R2.8239 Oc1ccc2nc(Cl)c(Cl)cc2c1 Amb17241632 [0,1,0,0,0,0|3,0,0]=4 947 B14R2.8239 Oc1nc2ccc(Br)cc2nc1O Amb3620860 [0,1,0,0,0,0|2,0,1]=4 948 B14R2.28472 CC1=C(N)Nc2cccc(C)c2O1 Amb27259363 [0,1,0,0,0,0|3,0,0]=4 949 B14R2.28472 CC1=Cc2c(O)cccc2NC1=O Amb22752597 [0,1,0,0,0,0|2,0,0]=3 950 B14R2.28472 CC1=Cc2cccc(Br)c2NC1=O Amb33714882 [0,1,0,0,0,0|2,0,0]=3 951 B14R2.28472 CC1=Cc2cccc(C)c2NC1=O Amb24425415 [0,1,0,0,0,0|2,0,0]=3 952 B14R2.28472 CC1=Cc2cccc(N)c2OC1=O Amb27259329 [0,1,0,0,0,0|1,0,0]=2 953 B14R2.28472 CC1=Cc2cccc(O)c2NC1=O Amb22752602 [0,1,0,0,0,0|2,0,0]=3 954 B14R2.28472 CC1=Cc2ccnc(Cl)c2NC1=O Amb33714877 [0,1,0,0,0,0|3,0,0]=4 955 B14R2.28472 CC1=Nc2c(Br)cccc2NC1=O Amb27445801 [0,1,0,0,0,0|3,0,0]=4 956 B14R2.28472 CC1=Nc2c(Cl)cccc2NC1=O Amb27635802 [0,1,0,0,0,0|3,0,0]=4 957 B14R2.28472 CC1=Nc2cccc(Br)c2NC1=O Amb27421476 [0,1,0,0,0,0|3,0,0]=4 958 B14R2.28472 Cc1cc2c(Br)cccc2nc1C Amb32684857 [0,1,0,0,0,0|3,0,0]=4 959 B14R2.28472 Cc1cc2c(Br)cccc2nc1Cl Amb25896235 [0,1,0,0,0,0|3,0,0]=4 960 B14R2.28472 Cc1cc2c(F)cccc2nc1Cl Amb27191853 [0,1,0,0,0,0|3,0,0]=4 961 B14R2.28472 Cc1cc2cccc(Br)c2nc1C Amb32684856 [0,1,0,0,0,0|3,0,0]=4 962 B14R2.28472 Cc1cc2cccc(Br)c2nc1N Amb28319459 [0,1,0,0,0,0|3,0,0]=4 963 B14R2.28472 Cc1cc2cccc(Br)c2nc1S Amb27945863 [0,1,0,0,0,0|2,1,0]=4 964 B14R2.28472 Cc1cc2cccc(C)c2cc1C Amb6357202 [0,1,0,0,0,0|3,0,0]=4 965 B14R2.28472 Cc1cc2cccc(C)c2nc1Br Amb17158081 [0,1,0,0,0,0|3,0,0]=4 966 B14R2.28472 Cc1cc2cccc(C)c2nc1C Amb27595634 [0,1,0,0,0,0|3,0,0]=4 967 B14R2.28472 Cc1cc2cccc(C)c2nc1Cl Amb1994497 [0,1,0,0,0,0|3,0,0]=4 968 B14R2.28472 Cc1cc2cccc(C)c2nc1N Amb9134102 [0,1,0,0,0,0|3,0,0]=4 969 B14R2.28472 Cc1cc2cccc(C)c2nc1S Amb2785695 [0,1,0,0,0,0|2,1,0]=4 970 B14R2.28472 Cc1cc2cccc(Cl)c2nc1Cl Amb25923875 [0,1,0,0,0,0|3,0,0]=4 971 B14R2.28472 Cc1cc2cccc(Cl)c2nc1S Amb24613180 [0,1,0,0,0,0|2,1,0]=4 972 B14R2.28472 Cc1cc2cccc(F)c2nc1N Amb27406513 [0,1,0,0,0,0|3,0,0]=4 973 B14R2.28472 Cc1cc2cccc(F)c2nc1S Amb27158747 [0,1,0,0,0,0|2,1,0]=4 974 B14R2.28472 Cc1cc2cccc(O)c2nc1C Amb25320736 [0,1,0,0,0,0|3,0,0]=4 975 B14R2.28472 Cc1cccc2c1C=C(F)C(=O)N2 Amb27771425 [0,1,0,0,0,0|2,0,0]=3 976 B14R2.28472 Cc1cccc2c1C=C(O)C(=O)N2 Amb22752608 [0,1,0,0,0,0|1,0,0]=2 977 B14R2.28472 Cc1cccc2c1N=C(Cl)C(=O)O2 Amb28455753 [0,1,0,0,0,0|2,0,0]=3 978 B14R2.28472 Cc1cccc2c1NC(=O)C(F)=C2 Amb22547233 [0,1,0,0,0,0|2,0,0]=3 979 B14R2.28472 Cc1cccc2c1NC(=O)C(O)=C2 Amb22752607 [0,1,0,0,0,0|1,0,0]=2 980 B14R2.28472 Cc1cccc2c1NC(=O)C(O)C2 Amb28243418 [0,1,0,0,0,0|1,0,2]=4 981 B14R2.28472 Cc1cccc2c1OC(=O)C(N)=C2 Amb27165226 [0,1,0,0,0,0|1,0,0]=2 982 B14R2.28472 Cc1cccc2cc(Br)c(N)nc12 Amb23449354 [0,1,0,0,0,0|3,0,0]=4 983 B14R2.28472 Cc1cccc2cc(Cl)c(Cl)nc12 Amb28245186 [0,1,0,0,0,0|3,0,0]=4 984 B14R2.28472 Cc1cccc2nc(O)c(O)nc12 Amb18127607 [0,1,0,0,0,0|2,0,1]=4 985 B14R2.28472 Cc1ccnc2c1C=C(Br)C(=O)N2 Amb32419009 [0,1,0,0,0,0|3,0,0]=4 986 B14R2.28472 Cc1nc2c(Br)cccc2cc1O Amb32455754 [0,1,0,0,0,0|2,0,0]=3 987 B14R2.28472 Cc1nc2c(C)cccc2cc1O Amb33133924 [0,1,0,0,0,0|2,0,0]=3 988 B14R2.28472 Cc1nc2c(Cl)cccc2cc1O Amb33134080 [0,1,0,0,0,0|2,0,0]=3 989 B14R2.28472 Cc1nc2c(F)cccc2cc1Br Amb24494209 [0,1,0,0,0,0|3,0,0]=4 990 B14R2.28472 Cc1nc2c(F)cccc2cc1N Amb25068897 [0,1,0,0,0,0|3,0,0]=4 991 B14R2.28472 Cc1nc2c(F)cccc2cc1O Amb27210982 [0,1,0,0,0,0|2,0,0]=3 992 B14R2.28472 Cc1nc2cccc(Br)c2cc1O Amb33134016 [0,1,0,0,0,0|2,0,0]=3 993 B14R2.28472 Cc1nc2cccc(Cl)c2cc1O Amb33134140 [0,1,0,0,0,0|2,0,0]=3 994 B14R2.28472 Cc1nccc2c1C=C(Br)C(=O)N2 Amb21926812 [0,1,0,0,0,0|3,0,0]=4 995 B14R2.28472 Cc1nccc2c1C=C(I)C(=O)N2 Amb21927566 [0,1,0,0,0,0|3,0,0]=4 996 B14R2.28472 Cc1nccc2c1C=C(O)C(=O)N2 Amb27825947 [0,1,0,0,0,0|2,0,0]=3 997 B14R2.28472 Clc1cc2cccc(Cl)c2nc1Cl Amb23509990 [0,1,0,0,0,0|3,0,0]=4 998 B14R2.28472 Clc1nc2c(Br)cccc2cc1Br Amb23449337 [0,1,0,0,0,0|3,0,0]=4 999 B14R2.28472 Clc1nc2c(Br)cccc2cc1I Amb10071778 [0,1,0,0,0,0|3,0,0]=4 1000 B14R2.28472 Clc1nc2c(Cl)cccc2cc1Br Amb23450240 [0,1,0,0,0,0|3,0,0]=4 1001 B14R2.28472 Fc1cc2cccc(Br)c2nc1Br Amb22547364 [0,1,0,0,0,0|3,0,0]=4 1002 B14R2.28472 Fc1cccc2cc(Br)c(I)nc12 Amb32664479 [0,1,0,0,0,0|3,0,0]=4 1003 B14R2.28472 NC1=CC2=C(C=CNC2=O)OC1=O Amb27608575 [0,1,0,0,0,0|2,0,0]=3 1004 B14R2.28472 NC1=Cc2c(F)cccc2OC1=O Amb27242642 [0,1,0,0,0,0|1,0,0]=2 1005 B14R2.28472 NC1=Cc2cccc(O)c2OC1=O Amb18127813 [0,1,0,0,0,0|1,0,0]=2 1006 B14R2.28472 NC1=Nc2c(O)cccc2NC1=O Amb22001484 [0,1,0,0,0,0|3,0,0]=4 1007 B14R2.28472 Nc1cc2c(Br)cccc2nc1Cl Amb27765257 [0,1,0,0,0,0|3,0,0]=4 1008 B14R2.28472 Nc1cccc2c1C=C(O)C(=O)N2 Amb25123362 [0,1,0,0,0,0|1,0,0]=2 1009 B14R2.28472 Nc1cccc2c1NC(=O)C(=O)N2 Amb19813318 [0,1,0,0,0,0|2,0,1]=4 1010 B14R2.28472 Nc1cccc2c1OC(O)=C(O)O2 Amb28421740 [0,1,0,0,0,0|1,0,1]=3 1011 B14R2.28472 Nc1nc2c(Cl)cccc2cc1Br Amb23449351 [0,1,0,0,0,0|3,0,0]=4 1012 B14R2.28472 O=C1NC=CC2=C1C=C(O)C(=O)O2 Amb28291020 [0,1,0,0,0,0|1,0,0]=2 1013 B14R2.28472 O=C1NC=Cc2cc(O)c(F)cc21 Amb24059946 [0,1,0,0,0,0|3,0,0]=4 1014 B14R2.28472 O=C1NC=Cc2cc(O)c(O)cc21 Amb19100714 [0,1,0,0,0,0|2,0,1]=4 1015 B14R2.28472 O=C1Nc2c(Br)cccc2C=C1F Amb22547234 [0,1,0,0,0,0|2,0,0]=3 1016 B14R2.28472 O=C1Nc2c(Br)cccc2C=C1O Amb25800197 [0,1,0,0,0,0|1,0,0]=2 1017 B14R2.28472 O=C1Nc2c(Cl)cccc2C=C1F Amb22547231 [0,1,0,0,0,0|2,0,0]=3 1018 B14R2.28472 O=C1Nc2c(Cl)cncc2C=C1O Amb27442983 [0,1,0,0,0,0|2,0,0]=3 1019 B14R2.28472 O=C1Nc2c(F)cccc2C=C1F Amb22547161 [0,1,0,0,0,0|2,0,0]=3 1020 B14R2.28472 O=C1Nc2c(F)cccc2C=C1O Amb24697603 [0,1,0,0,0,0|1,0,0]=2 1021 B14R2.28472 O=C1Nc2cccc(Br)c2C=C1O Amb26445096 [0,1,0,0,0,0|1,0,0]=2 1022 B14R2.28472 O=C1Nc2cccc(Cl)c2C=C1F Amb27599995 [0,1,0,0,0,0|2,0,0]=3 1023 B14R2.28472 O=C1Nc2cccc(F)c2C=C1F Amb27832552 [0,1,0,0,0,0|2,0,0]=3 1024 B14R2.28472 O=C1Nc2cccc(F)c2C=C1O Amb28342551 [0,1,0,0,0,0|1,0,0]=2 1025 B14R2.28472 O=C1Nc2cccc(F)c2CC1O Amb27415161 [0,1,0,0,0,0|1,0,2]=4 1026 B14R2.28472 O=C1Nc2cccc(O)c2C=C1Br Amb21926742 [0,1,0,0,0,0|2,0,0]=3 1027 B14R2.28472 O=C1Nc2cccc(O)c2NC1=O Amb22234954 [0,1,0,0,0,0|2,0,1]=4 1028 B14R2.28472 O=C1Nc2nccc(Br)c2C=C1O Amb27647706 [0,1,0,0,0,0|2,0,0]=3 1029 B14R2.28472 O=C1Oc2c(O)cccc2C=C1O Amb26476553 [0,1,0,0,0,0|0,0,0]=1 1030 B14R2.28472 Oc1cc2c(F)cccc2nc1Cl Amb27817699 [0,1,0,0,0,0|2,0,0]=3 1031 B14R2.28472 Oc1cc2cccc(O)c2cc1O Amb17594466 [0,1,0,0,0,0|1,0,1]=3 1032 B14R2.28472 Oc1cccc2cc(Cl)c(Cl)cc12 Amb17595762 [0,1,0,0,0,0|3,0,0]=4 1033 B14R2.28472 Oc1cccc2cc(F)c(F)cc12 Amb27750282 [0,1,0,0,0,0|3,0,0]=4 1034 B14R2.28472 Oc1nc2cccc(Br)c2nc1O Amb22371883 [0,1,0,0,0,0|2,0,1]=4 1035 B14R2.28472 Oc1nc2cccc(Cl)c2nc1O Amb25678371 [0,1,0,0,0,0|2,0,1]=4 1036 B12R1.43 C=C(C)C(=O)Cc1ccncc1 Amb28369377 [0,0,1,0,0,0|3,0,0]=4 1037 B12R1.43 C=C(C)C(=O)Nc1ccccc1 Amb6384289 [0,0,1,0,0,0|2,0,0]=3 1038 B12R1.43 C=C(C)C(=O)Nc1ccncc1 Amb2613139 [0,0,1,0,0,0|3,0,0]=4 1039 B12R1.43 C=C(C)C(=O)Oc1ccccc1 Amb8394675 [0,0,1,0,0,0|1,0,0]=2 1040 B12R1.43 C=C(C)C(=S)Nc1ccccc1 Amb28243811 [0,0,1,0,0,0|2,1,0]=4 1041 B12R1.43 C=C(Cc1ccccc1)C(=O)Cl Amb27416413 [0,0,1,0,0,0|2,0,1]=4 1042 B12R1.43 C=C(Cc1ccccc1)C(=O)O Amb8393733 [0,0,1,0,0,0|1,0,1]=3 1043 B12R1.43 C=C(Cc1cccnc1)C(=O)O Amb26636551 [0,0,1,0,0,0|2,0,1]=4 1044 B12R1.43 C=C(Cc1ccncc1)C(=O)O Amb27389258 [0,0,1,0,0,0|2,0,1]=4 1045 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 Amb27751263 [0,0,1,0,0,0|2,0,0]=3 1046 B12R1.43 C=C(Cl)C(=O)Nc1cccnc1 Amb28197358 [0,0,1,0,0,0|3,0,0]=4 1047 B12R1.43 CC(=O)C(=O)Cc1ccccc1 Amb23603619 [0,0,1,0,0,0|1,0,2]=4 1048 B12R1.43 CC(=O)C(=O)Nc1ccccc1 Amb2383839 [0,0,1,0,0,0|1,0,2]=4 1049 B12R1.43 CC(=O)C(O)Cc1ccccc1 Amb25340966 [0,0,1,0,0,0|1,0,2]=4 1050 B12R1.43 CC(=O)\C(Br)=C\c1ccccc1 Amb17596166 [0,0,1,0,0,0|2,0,0]=3 1051 B12R1.43 CC(=O)\C(C)=C\c1ccccc1 Amb17594004 [0,0,1,0,0,0|2,0,0]=3 1052 B12R1.43 CC(=O)\C(C)=C\c1cccnc1 Amb25373091 [0,0,1,0,0,0|3,0,0]=4 1053 B12R1.43 CC(=O)\C(C)=N\c1ccccc1 Amb24537849 [0,0,1,0,0,0|3,0,0]=4 1054 B12R1.43 CC(C)C(=O)Oc1ccccc1 Amb3129550 [0,0,1,0,0,0|1,0,2]=4 1055 B12R1.43 CC(Cc1ccccc1)C(=O)O Amb3939940 [0,0,1,0,0,0|1,0,2]=4 1056 B12R1.43 CC(N)C(=O)Oc1ccccc1 Amb17334632 [0,0,1,0,0,0|1,0,2]=4 1057 B12R1.43 CC(Nc1ccccc1)C(=O)O Amb1213440 [0,0,1,0,0,0|2,0,1]=4 1058 B12R1.43 CC(O)C(=O)Cc1ccccc1 Amb24487306 [0,0,1,0,0,0|1,0,2]=4 1059 B12R1.43 CC(O)C(=O)Nc1ccccc1 Amb1230509 [0,0,1,0,0,0|1,0,2]=4 1060 B12R1.43 CC(O)C(=O)Sc1ccccc1 Amb27594805 [0,0,1,0,0,0|0,1,2]=4 1061 B12R1.43 CC(Oc1ccccc1)C(=O)O Amb9702438 [0,0,1,0,0,0|2,0,1]=4 1062 B12R1.43 CC(Sc1ccccc1)C(=O)O Amb9745732 [0,0,1,0,0,0|2,0,1]=4 1063 B12R1.43 CN(C)C(=O)Oc1ccccc1 Amb4017572 [0,0,1,0,0,0|2,0,1]=4 1064 B12R1.43 CN(O)C(=O)Cc1ccccc1 Amb27622562 [0,0,1,0,0,0|2,0,1]=4 1065 B12R1.43 CN(O)C(=O)Nc1ccccc1 Amb2691797 [0,0,1,0,0,0|2,0,1]=4 1066 B12R1.43 CN(O)C(=O)Oc1ccccc1 Amb28125844 [0,0,1,0,0,0|1,0,1]=3 1067 B12R1.43 C[C@@H](Cc1ccccc1)C(=O)O Amb10844540 [0,0,1,0,0,0|1,0,2]=4 1068 B12R1.43 C[C@@H](Nc1ccccc1)C(=O)O Amb22801823 [0,0,1,0,0,0|2,0,1]=4 1069 B12R1.43 C[C@@H](Oc1ccccc1)C(=O)O Amb22736710 [0,0,1,0,0,0|2,0,1]=4 1070 B12R1.43 C[C@@H](Sc1ccccc1)C(=O)O Amb27425234 [0,0,1,0,0,0|2,0,1]=4 1071 B12R1.43 C[C@H](Cc1ccccc1)C(=O)O Amb10844541 [0,0,1,0,0,0|1,0,2]=4 1072 B12R1.43 C[C@H](N)C(=O)Oc1ccccc1 Amb28118920 [0,0,1,0,0,0|1,0,2]=4 1073 B12R1.43 C[C@H](Nc1ccccc1)C(=O)O Amb24434019 [0,0,1,0,0,0|2,0,1]=4 1074 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 Amb27244706 [0,0,1,0,0,0|1,0,2]=4 1075 B12R1.43 C[C@H](Oc1ccccc1)C(=O)O Amb22736711 [0,0,1,0,0,0|2,0,1]=4 1076 B12R1.43 C\C(=C/c1ccccc1)B(O)O Amb26348065 [0,0,1,0,0,0|2,0,1]=4 1077 B12R1.43 C\C(=C/c1ccccc1)C(=N)N Amb32952072 [0,0,1,0,0,0|3,0,0]=4 1078 B12R1.43 C\C(=C/c1ccccc1)C(=O)Cl Amb24061289 [0,0,1,0,0,0|2,0,0]=3 1079 B12R1.43 C\C(=C/c1ccccc1)C(=O)O Amb8513246 [0,0,1,0,0,0|1,0,0]=2 1080 B12R1.43 C\C(=C/c1ccccc1)C(C)O Amb27762014 [0,0,1,0,0,0|2,0,1]=4 1081 B12R1.43 C\C(=C/c1ccccc1)C(N)=S Amb33082670 [0,0,1,0,0,0|2,1,0]=4 1082 B12R1.43 C\C(=C/c1ccccc1)[C@@H](C)O Amb32952077 [0,0,1,0,0,0|2,0,1]=4 1083 B12R1.43 C\C(=C/c1ccccc1)[C@H](C)O Amb27589732 [0,0,1,0,0,0|2,0,1]=4 1084 B12R1.43 C\C(=C/c1ccccc1)[N+](=O)[O-] Amb6320973 [0,0,1,0,0,0|2,0,1]=4 1085 B12R1.43 C\C(=C/c1ccccn1)C(=O)O Amb30584914 [0,0,1,0,0,0|2,0,0]=3 1086 B12R1.43 C\C(=C/c1ccccn1)C(=O)O Amb33995393 [0,0,1,0,0,0|2,0,0]=3 1087 B12R1.43 C\C(=C/c1cccnc1)C(=O)O Amb30584915 [0,0,1,0,0,0|2,0,0]=3 1088 B12R1.43 C\C(=C/c1cccnc1)C(=O)O Amb5743927 [0,0,1,0,0,0|2,0,0]=3 1089 B12R1.43 C\C(=C/c1ccncc1)C(=O)O Amb30584913 [0,0,1,0,0,0|2,0,0]=3 1090 B12R1.43 C\C(=C/c1ccncc1)C(=O)O Amb5743928 [0,0,1,0,0,0|2,0,0]=3 1091 B12R1.43 C\C(=C/c1cncnc1)C(=O)O Amb27755121 [0,0,1,0,0,0|3,0,0]=4 1092 B12R1.43 C\C(=C\c1ccccc1)C(=O)O Amb24603461 [0,0,1,0,0,0|1,0,0]=2 1093 B12R1.43 C\C(=C\c1ccccc1)C(N)=S Amb27466528 [0,0,1,0,0,0|2,1,0]=4 1094 B12R1.43 C\C(=C\c1ccccc1)[N+](=O)[O-] Amb21520351 [0,0,1,0,0,0|2,0,1]=4 1095 B12R1.43 C\C(=C\c1cccnc1)C(=O)O Amb27837141 [0,0,1,0,0,0|2,0,0]=3 1096 B12R1.43 C\C(=C\c1ccncc1)C(=O)O Amb27882270 [0,0,1,0,0,0|2,0,0]=3 1097 B12R1.43 C\C(=C\c1cnccn1)C(=O)O Amb27622051 [0,0,1,0,0,0|3,0,0]=4 1098 B12R1.43 FC(F)=C(F)Oc1ccccc1 Amb10841028 [0,0,1,0,0,0|3,0,0]=4 1099 B12R1.43 N=C(N)C(=O)Cc1ccccc1 Amb27257229 [0,0,1,0,0,0|3,0,0]=4 1100 B12R1.43 N=C(Nc1ccccc1)C(=O)O Amb18645991 [0,0,1,0,0,0|2,0,0]=3 1101 B12R1.43 NC(=O)C(=O)Cc1ccccc1 Amb28119010 [0,0,1,0,0,0|1,0,2]=4 1102 B12R1.43 NC(=O)C(=O)Nc1ccccc1 Amb1859924 [0,0,1,0,0,0|2,0,1]=4 1103 B12R1.43 NC(=O)C(=O)Oc1ccccc1 Amb26619370 [0,0,1,0,0,0|1,0,1]=3 1104 B12R1.43 NC(=O)C(=S)Nc1ccccc1 Amb6316935 [0,0,1,0,0,0|2,1,0]=4 1105 B12R1.43 NC(=O)C(O)Cc1ccccc1 Amb18800896 [0,0,1,0,0,0|1,0,2]=4 1106 B12R1.43 NC(=O)N(O)Cc1ccccc1 Amb27966850 [0,0,1,0,0,0|2,0,1]=4 1107 B12R1.43 NC(=O)[C@@H](O)Cc1ccccc1 Amb26371653 [0,0,1,0,0,0|1,0,2]=4 1108 B12R1.43 NC(=O)[C@H](O)Cc1ccccc1 Amb25359872 [0,0,1,0,0,0|1,0,2]=4 1109 B12R1.43 NC(=O)\C(Cl)=C\c1ccccc1 Amb3724521 [0,0,1,0,0,0|2,0,0]=3 1110 B12R1.43 NC(Cc1ccccc1)C(=O)O Amb19958284 [0,0,1,0,0,0|1,0,2]=4 1111 B12R1.43 NC(Cc1ccccc1)C(=O)O Amb9703092 [0,0,1,0,0,0|1,0,2]=4 1112 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)O Amb22351110 [0,0,1,0,0,0|1,0,2]=4 1113 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)O Amb3940754 [0,0,1,0,0,0|1,0,2]=4 1114 B12R1.43 N[C@H](Cc1ccccc1)C(=O)O Amb2725663 [0,0,1,0,0,0|1,0,2]=4 1115 B12R1.43 N\C(=C/c1ccccc1)C(=O)O Amb24081025 [0,0,1,0,0,0|1,0,0]=2 1116 B12R1.43 N\C(=C/c1ccncn1)C(=O)O Amb24390213 [0,0,1,0,0,0|3,0,0]=4 1117 B12R1.43 N\C(=C\c1ccccc1)C(=O)O Amb27148014 [0,0,1,0,0,0|1,0,0]=2 1118 B12R1.43 N\C(=C\c1ccccn1)C(=O)O Amb27770994 [0,0,1,0,0,0|2,0,0]=3 1119 B12R1.43 N\C(=C\c1cnccn1)C(=O)O Amb27624449 [0,0,1,0,0,0|3,0,0]=4 1120 B12R1.43 O=C(Cl)C(O)Cc1ccccc1 Amb27632817 [0,0,1,0,0,0|1,0,2]=4 1121 B12R1.43 O=C(Cl)\C(F)=C/c1ccccc1 Amb27416385 [0,0,1,0,0,0|2,0,0]=3 1122 B12R1.43 O=C(O)C(=O)C[n+]1ccccc1 Amb28287668 [0,0,1,0,0,0|1,0,2]=4 1123 B12R1.43 O=C(O)C(=O)Cc1ccccc1 Amb2718694 [0,0,1,0,0,0|0,0,2]=3 1124 B12R1.43 O=C(O)C(=O)Cc1ccccn1 Amb17477815 [0,0,1,0,0,0|1,0,2]=4 1125 B12R1.43 O=C(O)C(=O)Cc1ccccn1 Amb32952891 [0,0,1,0,0,0|1,0,2]=4 1126 B12R1.43 O=C(O)C(=O)Cc1cccnc1 Amb17232515 [0,0,1,0,0,0|1,0,2]=4 1127 B12R1.43 O=C(O)C(=O)Cc1ccncc1 Amb17477816 [0,0,1,0,0,0|1,0,2]=4 1128 B12R1.43 O=C(O)C(=O)Nc1ccccc1 Amb838962 [0,0,1,0,0,0|1,0,1]=3 1129 B12R1.43 O=C(O)C(=O)Nc1ccccn1 Amb9303802 [0,0,1,0,0,0|2,0,1]=4 1130 B12R1.43 O=C(O)C(=O)Nc1cccnc1 Amb9303807 [0,0,1,0,0,0|2,0,1]=4 1131 B12R1.43 O=C(O)C(=O)Nc1ccncc1 Amb9303811 [0,0,1,0,0,0|2,0,1]=4 1132 B12R1.43 O=C(O)C(=S)Nc1ccccc1 Amb10558556 [0,0,1,0,0,0|1,1,0]=3 1133 B12R1.43 O=C(O)C(=S)Oc1ccccc1 Amb27484078 [0,0,1,0,0,0|1,1,0]=3 1134 B12R1.43 O=C(O)C(Br)Cc1ccccc1 Amb8392806 [0,0,1,0,0,0|1,0,2]=4 1135 B12R1.43 O=C(O)C(Cl)Cc1ccccc1 Amb17204339 [0,0,1,0,0,0|1,0,2]=4 1136 B12R1.43 O=C(O)C(Cl)Sc1ccccc1 Amb27797220 [0,0,1,0,0,0|2,0,1]=4 1137 B12R1.43 O=C(O)C(F)Cc1ccccc1 Amb27863462 [0,0,1,0,0,0|1,0,2]=4 1138 B12R1.43 O=C(O)C(O)Cc1ccccc1 Amb2718772 [0,0,1,0,0,0|0,0,2]=3 1139 B12R1.43 O=C(O)C(O)Cc1ccccn1 Amb17138619 [0,0,1,0,0,0|1,0,2]=4 1140 B12R1.43 O=C(O)C(O)Cc1ccccn1 Amb35750904 [0,0,1,0,0,0|1,0,2]=4 1141 B12R1.43 O=C(O)C(O)Cc1cccnc1 Amb2699798 [0,0,1,0,0,0|1,0,2]=4 1142 B12R1.43 O=C(O)C(O)Cc1ccncc1 Amb17138620 [0,0,1,0,0,0|1,0,2]=4 1143 B12R1.43 O=C(O)C(O)Oc1ccccc1 Amb27645391 [0,0,1,0,0,0|1,0,1]=3 1144 B12R1.43 O=C(O)C(S)Cc1ccccc1 Amb18289035 [0,0,1,0,0,0|0,1,2]=4 1145 B12R1.43 O=C(O)[C@@H](Cl)Cc1ccccc1 Amb24707843 [0,0,1,0,0,0|1,0,2]=4 1146 B12R1.43 O=C(O)[C@@H](F)Cc1ccccc1 Amb27983597 [0,0,1,0,0,0|1,0,2]=4 1147 B12R1.43 O=C(O)[C@@H](O)Cc1ccccc1 Amb6295887 [0,0,1,0,0,0|0,0,2]=3 1148 B12R1.43 O=C(O)[C@@H](O)Cc1cccnc1 Amb27878615 [0,0,1,0,0,0|1,0,2]=4 1149 B12R1.43 O=C(O)[C@H](O)Cc1ccccc1 Amb3940793 [0,0,1,0,0,0|0,0,2]=3 1150 B12R1.43 O=C(O)[C@H](O)Cc1ccccn1 Amb27165660 [0,0,1,0,0,0|1,0,2]=4 1151 B12R1.43 O=C(O)\C(Br)=C\c1ccccc1 Amb2794045 [0,0,1,0,0,0|1,0,0]=2 1152 B12R1.43 O=C(O)\C(Cl)=C/c1ccccc1 Amb18648695 [0,0,1,0,0,0|1,0,0]=2 1153 B12R1.43 O=C(O)\C(Cl)=C\c1ccccc1 Amb19651416 [0,0,1,0,0,0|1,0,0]=2 1154 B12R1.43 O=C(O)\C(Cl)=C\c1cccnc1 Amb26448364 [0,0,1,0,0,0|2,0,0]=3 1155 B12R1.43 O=C(O)\C(F)=C\c1ccccc1 Amb24093652 [0,0,1,0,0,0|1,0,0]=2 1156 B12R1.43 O=C(O)\C(F)=C\c1ccccn1 Amb27977069 [0,0,1,0,0,0|2,0,0]=3 1157 B12R1.43 O=C(O)\C(F)=C\c1cccnc1 Amb17614474 [0,0,1,0,0,0|2,0,0]=3 1158 B12R1.43 O=C(O)\C(F)=C\c1cccnc1 Amb31339126 [0,0,1,0,0,0|2,0,0]=3 1159 B12R1.43 O=C(O)\C(F)=C\c1cnccn1 Amb35600945 [0,0,1,0,0,0|3,0,0]=4 1160 B12R1.43 O=C(O)\C(S)=C/c1ccccc1 Amb2550972 [0,0,1,0,0,0|0,1,0]=2 1161 B12R1.43 O=C(O)\C(S)=C\c1ccccc1 Amb1250109 [0,0,1,0,0,0|0,1,0]=2 1162 B12R1.43 O=C(O)\C(S)=C\c1ccccn1 Amb1761004 [0,0,1,0,0,0|1,1,0]=3 1163 B12R1.43 O=C(O)\C(S)=C\c1ccncc1 Amb1761003 [0,0,1,0,0,0|1,1,0]=3 1164 B12R1.43 O=C([O-])C(=O)Cc1ccccc1 Amb19884048 [0,0,1,0,0,0|0,0,3]=4 1165 B12R1.43 O=C([O-])C(=O)Cc1ccccc1 Amb6365780 [0,0,1,0,0,0|0,0,3]=4 1166 B12R1.43 O=C([O-])C(=O)Cc1ccccc1 Amb8393076 [0,0,1,0,0,0|0,0,3]=4 1167 B12R1.43 O=C([O-])C(O)Cc1ccccc1 Amb33513053 [0,0,1,0,0,0|0,0,3]=4 1168 B12R1.43 O=[N+]([O-])\C(F)=C\c1ccccc1 Amb27843539 [0,0,1,0,0,0|2,0,1]=4 1169 B12R1.43 OB(O)\C(F)=C\c1ccccc1 Amb25667549 [0,0,1,0,0,0|2,0,1]=4 1170 B12R1.169 C=CCc1ccccc1NC=O Amb27412358 [0,0,1,0,0,0|2,0,1]=4 1171 B12R1.169 CCOc1ccccc1\C=C\Br Amb33134848 [0,0,1,0,0,0|2,0,1]=4 1172 B12R1.169 CCOc1ccccc1\C=N/O Amb25992554 [0,0,1,0,0,0|2,0,1]=4 1173 B12R1.169 CCOc1ccccc1\C=N\O Amb1104882 [0,0,1,0,0,0|2,0,1]=4 1174 B12R1.169 O=CNc1ccccc1CCO Amb28239664 [0,0,1,0,0,0|1,0,2]=4 1175 B12R1.169 O=CNc1ccccc1\C=N\O Amb27865601 [0,0,1,0,0,0|2,0,0]=3 1176 B12R1.169 O=CNc1ncccc1\C=N\O Amb28398080 [0,0,1,0,0,0|3,0,0]=4 1177 B12R1.371 C=CC(=O)Cc1ccccc1Br Amb28143882 [0,0,1,0,0,0|3,0,0]=4 1178 B12R1.371 C=CC(=O)Cc1ccccc1F Amb2699672 [0,0,1,0,0,0|3,0,0]=4 1179 B12R1.371 C=CC(=O)Nc1ccccc1C Amb6843670 [0,0,1,0,0,0|2,0,1]=4 1180 B12R1.371 C=CC(=O)Nc1ccccc1Cl Amb6843675 [0,0,1,0,0,0|3,0,0]=4 1181 B12R1.371 C=CC(=O)Nc1ccccc1F Amb6843680 [0,0,1,0,0,0|3,0,0]=4 1182 B12R1.371 C=CC(=O)Nc1ccccc1I Amb9261228 [0,0,1,0,0,0|3,0,0]=4 1183 B12R1.371 C=CC(=O)Oc1ccccc1C Amb28204165 [0,0,1,0,0,0|1,0,1]=3 1184 B12R1.371 C=CC(=O)Oc1ccccc1Cl Amb28364728 [0,0,1,0,0,0|2,0,0]=3 1185 B12R1.371 CC(C=O)Cc1ccccc1O Amb25313067 [0,0,1,0,0,0|1,0,2]=4 1186 B12R1.371 CCC(=O)Oc1ccccc1Br Amb26609039 [0,0,1,0,0,0|2,0,1]=4 1187 B12R1.371 CCC(=O)Oc1ccccc1Cl Amb3123529 [0,0,1,0,0,0|2,0,1]=4 1188 B12R1.371 CCC(=O)Oc1ccccc1F Amb25039137 [0,0,1,0,0,0|2,0,1]=4 1189 B12R1.371 CCC(=O)Oc1ccccc1I Amb27752759 [0,0,1,0,0,0|2,0,1]=4 1190 B12R1.371 CCC(=O)Oc1ccccc1O Amb22167293 [0,0,1,0,0,0|2,0,1]=4 1191 B12R1.371 CC\C(C)=C/c1ccccc1O Amb28253700 [0,0,1,0,0,0|2,0,1]=4 1192 B12R1.371 CNC(=O)Oc1ccccc1O Amb18646674 [0,0,1,0,0,0|3,0,0]=4 1193 B12R1.371 C\C(C=O)=C/c1ccccc1C Amb17334495 [0,0,1,0,0,0|2,0,0]=3 1194 B12R1.371 C\C(C=O)=C/c1ccccc1Cl Amb17335454 [0,0,1,0,0,0|2,0,0]=3 1195 B12R1.371 C\C(C=O)=C/c1ccccc1F Amb17334598 [0,0,1,0,0,0|2,0,0]=3 1196 B12R1.371 C\C(C=O)=C\c1ccccc1O Amb28457572 [0,0,1,0,0,0|1,0,0]=2 1197 B12R1.371 C\C=C(\C)Cc1ccccc1O Amb24380771 [0,0,1,0,0,0|2,0,1]=4 1198 B12R1.371 Cc1ccccc1CC(=O)CO Amb18563611 [0,0,1,0,0,0|1,0,2]=4 1199 B12R1.371 Cc1ccccc1CC(=O)NO Amb6257569 [0,0,1,0,0,0|2,0,1]=4 1200 B12R1.371 Cc1ccccc1NC(=O)CO Amb1110662 [0,0,1,0,0,0|1,0,2]=4 1201 B12R1.371 Cc1ccccc1NC(=O)NO Amb27614514 [0,0,1,0,0,0|2,0,1]=4 1202 B12R1.371 Cc1ccccc1OC(=O)CN Amb17334634 [0,0,1,0,0,0|1,0,2]=4 1203 B12R1.371 Cc1ccccc1OC(=O)CN Amb19115306 [0,0,1,0,0,0|1,0,2]=4 1204 B12R1.371 Cc1ccccc1OC(=O)NN Amb28369799 [0,0,1,0,0,0|2,0,1]=4 1205 B12R1.371 Cc1ccccc1\C=C(/F)C=O Amb27851468 [0,0,1,0,0,0|2,0,0]=3 1206 B12R1.371 NCC(=O)Oc1ccccc1Br Amb17344446 [0,0,1,0,0,0|2,0,1]=4 1207 B12R1.371 NCC(=O)Oc1ccccc1Cl Amb17335803 [0,0,1,0,0,0|2,0,1]=4 1208 B12R1.371 NCC(=O)Oc1ccccc1F Amb17334752 [0,0,1,0,0,0|2,0,1]=4 1209 B12R1.371 O=C(CCl)Oc1ccccc1O Amb17594841 [0,0,1,0,0,0|2,0,1]=4 1210 B12R1.371 O=C(CO)Cc1ccccc1Cl Amb18564303 [0,0,1,0,0,0|2,0,1]=4 1211 B12R1.371 O=C(CO)Nc1ccccc1Br Amb1109988 [0,0,1,0,0,0|2,0,1]=4 1212 B12R1.371 O=C(CO)Nc1ccccc1Cl Amb1111147 [0,0,1,0,0,0|2,0,1]=4 1213 B12R1.371 O=C(CO)Nc1ccccc1F Amb1109775 [0,0,1,0,0,0|2,0,1]=4 1214 B12R1.371 O=C(CO)Nc1ccccc1O Amb5798034 [0,0,1,0,0,0|2,0,1]=4 1215 B12R1.371 O=C(CO)OC1=CC=CNC1=O Amb27448658 [0,0,1,0,0,0|2,0,1]=4 1216 B12R1.371 O=C(CO)Oc1cccnc1Cl Amb27809295 [0,0,1,0,0,0|2,0,1]=4 1217 B12R1.371 O=C(Cc1ccccc1Cl)NO Amb6273362 [0,0,1,0,0,0|3,0,0]=4 1218 B12R1.371 O=C(Cc1ccccc1I)NO Amb28184737 [0,0,1,0,0,0|3,0,0]=4 1219 B12R1.371 O=C(NO)Nc1ccccc1Cl Amb4013619 [0,0,1,0,0,0|3,0,0]=4 1220 B12R1.371 O=C(NO)Nc1ccccc1F Amb28040914 [0,0,1,0,0,0|3,0,0]=4 1221 B12R1.371 OC\C(Cl)=C/c1ccccc1O Amb27256379 [0,0,1,0,0,0|1,0,2]=4 1222 B12R1.385 Cc1ccc(\C=C\C=O)cc1O Amb33310494 [0,0,1,0,0,0|3,0,0]=4 1223 B12R1.385 O=C\C=C\c1ccc(O)c(Br)c1 Amb33388591 [0,0,1,0,0,0|3,0,0]=4 1224 B12R1.385 O=C\C=C\c1ccc(O)c(Cl)c1 Amb33390541 [0,0,1,0,0,0|3,0,0]=4 1225 B12R1.385 O=C\C=C\c1ccc(O)c(F)c1 Amb33450047 [0,0,1,0,0,0|3,0,0]=4 1226 B12R1.385 O=C\C=C\c1ccc(O)c(O)c1 Amb33136429 [0,0,1,0,0,0|2,0,1]=4 1227 B14R3.5352 O=C1C(=O)C2=C1c3ccccc32 Amb27948619 [0,0,0,1,0,0|1,0,1]=3 1228 B12R2.18 Brc1sc2ccccc2c1Br Amb21858144 [0,0,0,0,1,0|2,1,0]=4 1229 B12R2.18 C=C1C(=O)Nc2ccccc21 Amb17779246 [0,0,0,0,1,0|2,0,0]=3 1230 B12R2.18 C=C1Cc2ccccc2C1=O Amb18062660 [0,0,0,0,1,0|1,0,1]=3 1231 B12R2.18 C=C1c2ccccc2OC1O Amb27197539 [0,0,0,0,1,0|1,0,2]=4 1232 B12R2.18 C=C1c2ccccc2SC1O Amb27775969 [0,0,0,0,1,0|2,0,1]=4 1233 B12R2.18 CC1=C(C)c2ccccc2C1 Amb21948330 [0,0,0,0,1,0|2,0,1]=4 1234 B12R2.18 CC1=C2C=CNC=C2OC1=O Amb27413033 [0,0,0,0,1,0|2,0,0]=3 1235 B12R2.18 CC1=C2C=COC=C2OC1=O Amb19133147 [0,0,0,0,1,0|2,0,0]=3 1236 B12R2.18 CC1=Cc2ccccc2C1O Amb17778950 [0,0,0,0,1,0|1,0,2]=4 1237 B12R2.18 CC1=Cc2ccccc2[C@H]1O Amb28319957 [0,0,0,0,1,0|1,0,2]=4 1238 B12R2.18 CC1C(=O)Cc2ccccc21 Amb20622460 [0,0,0,0,1,0|2,0,1]=4 1239 B12R2.18 CC1C(=O)Nc2ccccc21 Amb2612193 [0,0,0,0,1,0|2,0,1]=4 1240 B12R2.18 CC1C(=O)Oc2ccccc21 Amb25150504 [0,0,0,0,1,0|1,0,1]=3 1241 B12R2.18 CC1Cc2ccccc2C1=O Amb2724364 [0,0,0,0,1,0|1,0,2]=4 1242 B12R2.18 CC1Nc2ccccc2C1=O Amb17593674 [0,0,0,0,1,0|2,0,1]=4 1243 B12R2.18 CC1Oc2ccccc2C1=O Amb25956002 [0,0,0,0,1,0|1,0,2]=4 1244 B12R2.18 CN1C(=O)Cc2ccccc21 Amb1398903 [0,0,0,0,1,0|3,0,0]=4 1245 B12R2.18 CN1C(=O)Nc2ccccc21 Amb18537193 [0,0,0,0,1,0|3,0,0]=4 1246 B12R2.18 CN1C(=O)Oc2ccccc21 Amb18043105 [0,0,0,0,1,0|2,0,0]=3 1247 B12R2.18 CN1C(=O)Oc2ncccc21 Amb26560695 [0,0,0,0,1,0|3,0,0]=4 1248 B12R2.18 CN1C(=O)Sc2ccccc21 Amb19654015 [0,0,0,0,1,0|2,1,0]=4 1249 B12R2.18 CN1Cc2ccccc2C1=O Amb4006345 [0,0,0,0,1,0|2,0,1]=4 1250 B12R2.18 CN1Oc2ccccc2C1=O Amb27760365 [0,0,0,0,1,0|2,0,1]=4 1251 B12R2.18 CN1Sc2ccccc2C1=O Amb27218159 [0,0,0,0,1,0|3,0,0]=4 1252 B12R2.18 Cc1c(Br)oc2ccccc12 Amb24451202 [0,0,0,0,1,0|2,0,0]=3 1253 B12R2.18 Cc1c(I)sc2ccccc12 Amb26042872 [0,0,0,0,1,0|2,1,0]=4 1254 B12R2.18 Cc1c(N)oc2ccccc12 Amb18202306 [0,0,0,0,1,0|2,0,0]=3 1255 B12R2.18 Cc1c(O)oc2ccccc12 Amb33310521 [0,0,0,0,1,0|1,0,1]=3 1256 B12R2.18 Cc1cc2ccccc2n1C Amb1934988 [0,0,0,0,1,0|3,0,0]=4 1257 B12R2.18 Cc1cc2ccccc2n1N Amb28457281 [0,0,0,0,1,0|3,0,0]=4 1258 B12R2.18 Cc1cc2ccccn2c1Br Amb18559299 [0,0,0,0,1,0|3,0,0]=4 1259 B12R2.18 Cc1cc2ccccn2c1C Amb26481258 [0,0,0,0,1,0|3,0,0]=4 1260 B12R2.18 Cc1cc2ccccn2c1N Amb18559300 [0,0,0,0,1,0|3,0,0]=4 1261 B12R2.18 Cc1cn2ccccc2c1C Amb27492933 [0,0,0,0,1,0|3,0,0]=4 1262 B12R2.18 Cc1cn2ccccc2c1N Amb18149646 [0,0,0,0,1,0|3,0,0]=4 1263 B12R2.18 Cc1oc2ccccc2c1Br Amb18773210 [0,0,0,0,1,0|2,0,0]=3 1264 B12R2.18 Cc1oc2ccccc2c1C Amb8516959 [0,0,0,0,1,0|2,0,0]=3 1265 B12R2.18 Cc1oc2ccncc2c1Br Amb23591026 [0,0,0,0,1,0|3,0,0]=4 1266 B12R2.18 Cc1sc2ccccc2c1Br Amb10975969 [0,0,0,0,1,0|2,1,0]=4 1267 B12R2.18 Cc1sc2ccccc2c1I Amb25247275 [0,0,0,0,1,0|2,1,0]=4 1268 B12R2.18 Clc1c(Br)oc2ccccc12 Amb28284723 [0,0,0,0,1,0|2,0,0]=3 1269 B12R2.18 Clc1oc2ccccc2c1Br Amb33433284 [0,0,0,0,1,0|2,0,0]=3 1270 B12R2.18 Clc1sc2ccccc2c1Br Amb27792393 [0,0,0,0,1,0|2,1,0]=4 1271 B12R2.18 Clc1sc2ccccc2c1Cl Amb20669291 [0,0,0,0,1,0|2,1,0]=4 1272 B12R2.18 Cn1c(Br)cc2ccccc21 Amb22232574 [0,0,0,0,1,0|3,0,0]=4 1273 B12R2.18 Cn1c(Cl)cc2ccccc21 Amb26587274 [0,0,0,0,1,0|3,0,0]=4 1274 B12R2.18 Cn1c(F)cc2ccccc21 Amb27882722 [0,0,0,0,1,0|3,0,0]=4 1275 B12R2.18 Cn1c(I)cc2ccccc21 Amb24067548 [0,0,0,0,1,0|3,0,0]=4 1276 B12R2.18 Cn1c(N)cc2ccccc21 Amb18644284 [0,0,0,0,1,0|3,0,0]=4 1277 B12R2.18 Cn1c(N)cc2ccccc21 Amb19944548 [0,0,0,0,1,0|3,0,0]=4 1278 B12R2.18 Cn1c(O)cc2ccccc21 Amb3427957 [0,0,0,0,1,0|2,0,0]=3 1279 B12R2.18 Cn1c(S)cc2ccccc21 Amb26845572 [0,0,0,0,1,0|2,1,0]=4 1280 B12R2.18 Fc1sc2ccccc2c1Br Amb28323565 [0,0,0,0,1,0|2,1,0]=4 1281 B12R2.18 N=C1C(=O)Nc2ccccc21 Amb26318567 [0,0,0,0,1,0|2,0,0]=3 1282 B12R2.18 NC1=Nc2ccccc2S1=O Amb27875514 [0,0,0,0,1,0|3,0,0]=4 1283 B12R2.18 NC1C(=O)Cc2ccccc21 Amb25949607 [0,0,0,0,1,0|2,0,1]=4 1284 B12R2.18 NC1C(=O)Cc2ccccc21 Amb35788430 [0,0,0,0,1,0|2,0,1]=4 1285 B12R2.18 NC1C(=O)Nc2ccccc21 Amb1154822 [0,0,0,0,1,0|2,0,1]=4 1286 B12R2.18 NC1C(=O)Nc2ccccc21 Amb9745696 [0,0,0,0,1,0|2,0,1]=4 1287 B12R2.18 NC1C(=O)Oc2ccccc21 Amb28240356 [0,0,0,0,1,0|1,0,1]=3 1288 B12R2.18 NC1Cc2ccccc2C1=O Amb17470380 [0,0,0,0,1,0|1,0,2]=4 1289 B12R2.18 NC1Cc2ccccc2C1=O Amb33548490 [0,0,0,0,1,0|1,0,2]=4 1290 B12R2.18 NN1C(=O)Cc2ccccc21 Amb10560115 [0,0,0,0,1,0|3,0,0]=4 1291 B12R2.18 NN1C(=O)Oc2ccccc21 Amb18644412 [0,0,0,0,1,0|2,0,0]=3 1292 B12R2.18 NN1Cc2ccccc2C1=O Amb28652918 [0,0,0,0,1,0|2,0,1]=4 1293 B12R2.18 N[C@@H]1C(=O)Cc2ccccc21 Amb27202727 [0,0,0,0,1,0|2,0,1]=4 1294 B12R2.18 Nc1c(Br)sc2ccccc12 Amb18135010 [0,0,0,0,1,0|2,1,0]=4 1295 B12R2.18 Nc1sc2ccccc2c1Br Amb18135037 [0,0,0,0,1,0|2,1,0]=4 1296 B12R2.18 Nc1sc2ccccc2c1N Amb27823311 [0,0,0,0,1,0|2,1,0]=4 1297 B12R2.18 O=C1C(=S)Nc2ccccc21 Amb17594053 [0,0,0,0,1,0|1,1,0]=3 1298 B12R2.18 O=C1C(Cl)=Cc2ccccc21 Amb24736271 [0,0,0,0,1,0|1,0,0]=2 1299 B12R2.18 O=C1C(Cl)=Nc2ccccc21 Amb17594117 [0,0,0,0,1,0|2,0,0]=3 1300 B12R2.18 O=C1Cc2ccccc2C1=O Amb2694764 [0,0,0,0,1,0|0,0,2]=3 1301 B12R2.18 O=C1Cc2ccccc2C1Br Amb21987890 [0,0,0,0,1,0|2,0,1]=4 1302 B12R2.18 O=C1Cc2ccccc2C1Cl Amb27159145 [0,0,0,0,1,0|2,0,1]=4 1303 B12R2.18 O=C1Cc2ccccc2N1O Amb17940424 [0,0,0,0,1,0|2,0,0]=3 1304 B12R2.18 O=C1N=C2C=CC=CN2C1=O Amb18528339 [0,0,0,0,1,0|2,0,1]=4 1305 B12R2.18 O=C1Nc2ccccc2C1=O Amb2721711 [0,0,0,0,1,0|1,0,1]=3 1306 B12R2.18 O=C1Nc2ccccc2C1=S Amb9803339 [0,0,0,0,1,0|1,1,0]=3 1307 B12R2.18 O=C1Nc2ccccc2C1Br Amb2228105 [0,0,0,0,1,0|2,0,1]=4 1308 B12R2.18 O=C1Nc2ccccc2C1Cl Amb27753977 [0,0,0,0,1,0|2,0,1]=4 1309 B12R2.18 O=C1Nc2ccccc2C1F Amb32456094 [0,0,0,0,1,0|2,0,1]=4 1310 B12R2.18 O=C1Nc2ccccc2C1O Amb9748239 [0,0,0,0,1,0|1,0,1]=3 1311 B12R2.18 O=C1Nc2ccccc2C1S Amb32788888 [0,0,0,0,1,0|1,1,1]=4 1312 B12R2.18 O=C1Nc2ccccc2N1O Amb26332921 [0,0,0,0,1,0|2,0,0]=3 1313 B12R2.18 O=C1Nc2ncccc2C1=O Amb10976067 [0,0,0,0,1,0|2,0,1]=4 1314 B12R2.18 O=C1Oc2ccccc2C1=O Amb9783305 [0,0,0,0,1,0|0,0,1]=2 1315 B12R2.18 O=C1Oc2ccccc2C1Br Amb3939721 [0,0,0,0,1,0|1,0,1]=3 1316 B12R2.18 O=C1Sc2ccccc2C1=O Amb2608884 [0,0,0,0,1,0|0,1,1]=3 1317 B12R2.18 O=C1Sc2ccccc2C1O Amb27636570 [0,0,0,0,1,0|0,1,1]=3 1318 B12R2.18 O=C1c2ccccc2CC1Br Amb2724122 [0,0,0,0,1,0|1,0,2]=4 1319 B12R2.18 O=C1c2ccccc2CC1Cl Amb4402396 [0,0,0,0,1,0|1,0,2]=4 1320 B12R2.18 O=C1c2ccccc2CC1F Amb17593723 [0,0,0,0,1,0|1,0,2]=4 1321 B12R2.18 O=C1c2ccccc2CC1O Amb25342077 [0,0,0,0,1,0|0,0,2]=3 1322 B12R2.18 OC1Oc2ccccc2C1O Amb27945780 [0,0,0,0,1,0|0,0,3]=4 1323 B12R2.18 O[C@H]1Oc2ccccc2[C@H]1O Amb27782441 [0,0,0,0,1,0|0,0,3]=4 1324 B12R2.18 Oc1nn2ccccc2c1Br Amb22235376 [0,0,0,0,1,0|3,0,0]=4 1325 B12R2.18 Oc1sc2ccccc2c1O Amb27966224 [0,0,0,0,1,0|0,1,1]=3 1326 B12R2.100 O=C1Nc2cnoc2C=C1O Amb27427257 [0,0,0,0,1,0|3,0,0]=4 1327 B12R2.100 Oc1cc2ccoc2cc1O Amb26981330 [0,0,0,0,1,0|2,0,1]=4 1328 B12R2.100 Oc1cc2occc2cc1Br Amb23568419 [0,0,0,0,1,0|3,0,0]=4 1329 B12R2.100 Oc1cc2occc2cc1Cl Amb23568417 [0,0,0,0,1,0|3,0,0]=4 1330 B14R2.738 CC1=CC(=O)Nc2ccccc2N1 Amb17912774 [0,0,0,0,0,1|3,0,0]=4 1331 B14R2.738 CC1=Cc2ccccc2CC(=O)N1 Amb28146816 [0,0,0,0,0,1|2,0,0]=3 1332 B14R2.738 CC1=Nc2ccccc2CC(=O)N1 Amb28245833 [0,0,0,0,0,1|3,0,0]=4 1333 B14R2.738 CC1=Nc2ccccc2N=C(O)N1 Amb28422381 [0,0,0,0,0,1|3,0,0]=4 1334 B14R2.738 CC1=Nc2ccccc2NC(=O)C1 Amb1396300 [0,0,0,0,0,1|3,0,0]=4 1335 B14R2.738 O=C1C=C(O)Nc2ccccc2O1 Amb27427124 [0,0,0,0,0,1|1,0,0]=2 1336 B14R2.738 O=C1CC(=O)Nc2ccccc2N1 Amb1678046 [0,0,0,0,0,1|2,0,1]=4 1337 B14R2.738 O=C1CC(=S)Nc2ccccc2S1 Amb27872240 [0,0,0,0,0,1|1,2,0]=4 1338 B14R2.738 O=C1Cc2ccccc2CC(=O)N1 Amb6387110 [0,0,0,0,0,1|1,0,2]=4 1339 B14R2.741 CC1=Cc2ccccc2C=CC1=O Amb21948167 [0,0,0,0,0,1|2,0,0]=3 1340 B14R2.741 CC1=Cc2ccccc2C=CC1O Amb17843719 [0,0,0,0,0,1|2,0,1]=4 1341 B14R2.741 CC1=Nc2ccccc2CNC1=O Amb27628340 [0,0,0,0,0,1|3,0,0]=4 1342 B14R2.741 CC1N=Cc2ccccc2NC1=O Amb27882750 [0,0,0,0,0,1|2,0,1]=4 1343 B14R2.741 CN1N=Cc2ccccc2CC1=O Amb28188910 [0,0,0,0,0,1|3,0,0]=4 1344 B14R2.741 CN1N=Cc2ccccc2NC1=O Amb28325892 [0,0,0,0,0,1|3,0,0]=4 1345 B14R2.741 NC1=CCc2ccccc2NC1=O Amb27411952 [0,0,0,0,0,1|2,0,0]=3 1346 B14R2.741 O=C1C=C2C=CC=CC2=CC=C1O Amb26365142 [0,0,0,0,0,1|1,0,0]=2 1347 B14R2.741 O=C1C=Cc2cccnc2C=C1O Amb27267189 [0,0,0,0,0,1|2,0,0]=3 1348 B14R2.741 O=C1CCc2ccccc2CC1O Amb28324293 [0,0,0,0,0,1|1,0,2]=4 1349 B14R2.741 O=C1Cc2ccccc2N=NC1=O Amb28126677 [0,0,0,0,0,1|1,0,2]=4 1350 B14R2.741 O=C1N=C2C=CC=CC2=CC=C1I Amb20240863 [0,0,0,0,0,1|2,0,0]=3 1351 B14R2.741 O=C1Nc2ccccc2CCC1O Amb25226835 [0,0,0,0,0,1|1,0,2]=4 1352 B14R2.741 O=C1Nc2ccccc2CC[C@H]1O Amb28340942 [0,0,0,0,0,1|1,0,2]=4 1353 B14R2.741 O=C1Oc2ccccc2CCC1Cl Amb27863424 [0,0,0,0,0,1|1,0,2]=4 1354 B14R2.7726 O=C1C=C2C=CC=CC=C2C=C1O Amb28253719 [0,0,0,0,0,1|1,0,0]=2 1355 B11R1.40 C=C(C=O)Cc1ccccc1 Amb8392633 [1,0,1,0,0,0|1,0,1]=4 1356 B11R1.40 C=CC(=C)Sc1ccccc1 Amb4013516 [1,0,1,0,0,0|1,1,0]=4 1357 B11R1.40 C=CC(=O)Cc1ccccc1 Amb25353450 [1,0,1,0,0,0|1,0,0]=3 1358 B11R1.40 C=CC(=O)Cc1ccccn1 Amb24425169 [1,0,1,0,0,0|2,0,0]=4 1359 B11R1.40 C=CC(=O)Cc1cccnc1 Amb28365485 [1,0,1,0,0,0|2,0,0]=4 1360 B11R1.40 C=CC(=O)Cc1ccncc1 Amb27389580 [1,0,1,0,0,0|2,0,0]=4 1361 B11R1.40 C=CC(=O)Nc1ccccc1 Amb6843666 [1,0,1,0,0,0|1,0,0]=3 1362 B11R1.40 C=CC(=O)Nc1ccccn1 Amb33532236 [1,0,1,0,0,0|2,0,0]=4 1363 B11R1.40 C=CC(=O)Nc1cccnc1 Amb33532237 [1,0,1,0,0,0|2,0,0]=4 1364 B11R1.40 C=CC(=O)Nc1ccncc1 Amb9480418 [1,0,1,0,0,0|2,0,0]=4 1365 B11R1.40 C=C\C(C)=C/c1ccccc1 Amb27428211 [1,0,1,0,0,0|2,0,0]=4 1366 B11R1.40 C=C\C(C)=C\c1ccccc1 Amb27950688 [1,0,1,0,0,0|2,0,0]=4 1367 B11R1.40 CCC(=O)Oc1ccccc1 Amb2842289 [1,0,1,0,0,0|0,0,2]=4 1368 B11R1.40 CNC(=O)Oc1ccccc1 Amb27212784 [1,0,1,0,0,0|1,0,1]=4 1369 B11R1.40 COC(=O)Oc1ccccc1 Amb10807421 [1,0,1,0,0,0|1,0,1]=4 1370 B11R1.40 C\C(=C/c1ccccc1)CO Amb9825840 [1,0,1,0,0,0|1,0,1]=4 1371 B11R1.40 C\C(C=O)=C/c1ccccc1 Amb6608709 [1,0,1,0,0,0|1,0,0]=3 1372 B11R1.40 C\C(C=O)=C/c1ccccn1 Amb1014105 [1,0,1,0,0,0|2,0,0]=4 1373 B11R1.40 C\C(C=O)=C/c1cccnc1 Amb17334266 [1,0,1,0,0,0|2,0,0]=4 1374 B11R1.40 C\C(C=O)=C/c1ccncc1 Amb17334268 [1,0,1,0,0,0|2,0,0]=4 1375 B11R1.40 C\C(C=O)=C\c1cccnc1 Amb28070736 [1,0,1,0,0,0|2,0,0]=4 1376 B11R1.40 Cl\C=C(/Cl)Oc1ccccc1 Amb34048810 [1,0,1,0,0,0|2,0,0]=4 1377 B11R1.40 Cl\C=C(\Cl)Oc1ccccc1 Amb25968444 [1,0,1,0,0,0|2,0,0]=4 1378 B11R1.40 F\C(=C\Cl)Oc1ccccc1 Amb27477898 [1,0,1,0,0,0|2,0,0]=4 1379 B11R1.40 N#CC(=O)Oc1ccccc1 Amb27813575 [1,0,1,0,0,0|1,0,1]=4 1380 B11R1.40 NCC(=O)Oc1ccccc1 Amb17334310 [1,0,1,0,0,0|1,0,1]=4 1381 B11R1.40 NNC(=O)Oc1ccccc1 Amb2737176 [1,0,1,0,0,0|2,0,0]=4 1382 B11R1.40 NOC(=O)Oc1ccccc1 Amb27967373 [1,0,1,0,0,0|2,0,0]=4 1383 B11R1.40 O=C(CBr)Oc1ccccc1 Amb3940897 [1,0,1,0,0,0|1,0,1]=4 1384 B11R1.40 O=C(CCl)Oc1ccccc1 Amb1914503 [1,0,1,0,0,0|1,0,1]=4 1385 B11R1.40 O=C(CO)Nc1ccccc1 Amb1110212 [1,0,1,0,0,0|1,0,1]=4 1386 B11R1.40 O=C(CO)Oc1cccnc1 Amb28189046 [1,0,1,0,0,0|1,0,1]=4 1387 B11R1.40 O=C(NO)Nc1ccccc1 Amb2746999 [1,0,1,0,0,0|2,0,0]=4 1388 B11R1.40 O=C(NO)Oc1ccccc1 Amb22493600 [1,0,1,0,0,0|1,0,0]=3 1389 B11R1.40 O=CC(=O)Cc1ccccc1 Amb17593687 [1,0,1,0,0,0|0,0,2]=4 1390 B11R1.40 O=CC(=O)Nc1ccccc1 Amb27643437 [1,0,1,0,0,0|1,0,1]=4 1391 B11R1.40 O=CN(O)Cc1ccccc1 Amb27873557 [1,0,1,0,0,0|1,0,1]=4 1392 B11R1.40 O=C\C(Br)=C/c1ccccc1 Amb25047719 [1,0,1,0,0,0|1,0,0]=3 1393 B11R1.40 O=C\C(Br)=C\c1ccccc1 Amb6608679 [1,0,1,0,0,0|1,0,0]=3 1394 B11R1.40 O=C\C(Cl)=C/c1ccccc1 Amb6297306 [1,0,1,0,0,0|1,0,0]=3 1395 B11R1.40 O=C\C(Cl)=C\c1ccccc1 Amb2792752 [1,0,1,0,0,0|1,0,0]=3 1396 B11R1.40 O=C\C(Cl)=C\c1ccccn1 Amb18126489 [1,0,1,0,0,0|2,0,0]=4 1397 B11R1.40 O=C\C(O)=C\c1ccccc1 Amb18124881 [1,0,1,0,0,0|0,0,0]=2 1398 B11R1.40 O=N\C(Br)=C/c1ccccc1 Amb27862869 [1,0,1,0,0,0|2,0,0]=4 1399 B11R1.40 OC\C(Cl)=C/c1ccccc1 Amb27234634 [1,0,1,0,0,0|1,0,1]=4 1400 B11R1.40 O\N=C(/O)Cc1ccccc1 Amb19986986 [1,0,1,0,0,0|1,0,1]=4 1401 B11R1.91 C=C(C)COc1ccccc1 Amb10601706 [1,0,1,0,0,0|1,0,1]=4 1402 B11R1.91 C=C(C)\C=C\c1ccccc1 Amb22546632 [1,0,1,0,0,0|2,0,0]=4 1403 B11R1.91 C=C(O)OCc1ccccc1 Amb26478129 [1,0,1,0,0,0|2,0,0]=4 1404 B11R1.91 CC(=O)\C=C\c1ccccc1 Amb1658842 [1,0,1,0,0,0|1,0,0]=3 1405 B11R1.91 CC(=O)\C=C\c1ccccc1 Amb33716963 [1,0,1,0,0,0|1,0,0]=3 1406 B11R1.91 CC(=O)\C=C\c1ccccn1 Amb17477755 [1,0,1,0,0,0|2,0,0]=4 1407 B11R1.91 CC(=O)\C=C\c1ccccn1 Amb32652097 [1,0,1,0,0,0|2,0,0]=4 1408 B11R1.91 CC(=O)\C=C\c1cccnc1 Amb33223775 [1,0,1,0,0,0|2,0,0]=4 1409 B11R1.91 CC(=O)\C=C\c1ccncc1 Amb33359225 [1,0,1,0,0,0|2,0,0]=4 1410 B11R1.91 CC(C)=COc1ccccc1 Amb28182600 [1,0,1,0,0,0|1,0,1]=4 1411 B11R1.91 CC(O)\C=C\c1ccccc1 Amb17593695 [1,0,1,0,0,0|1,0,1]=4 1412 B11R1.91 C[C@@H](O)\C=C\c1ccccc1 Amb32954507 [1,0,1,0,0,0|1,0,1]=4 1413 B11R1.91 C[C@H](O)\C=C\c1ccccc1 Amb27405101 [1,0,1,0,0,0|1,0,1]=4 1414 B11R1.91 N=C(N)\C=C\c1ccccc1 Amb22756994 [1,0,1,0,0,0|2,0,0]=4 1415 B11R1.91 NC(=O)\C=C/c1ccccc1 Amb4420621 [1,0,1,0,0,0|1,0,0]=3 1416 B11R1.91 NC(=O)\C=C/c1cccnc1 Amb10552966 [1,0,1,0,0,0|2,0,0]=4 1417 B11R1.91 NC(=O)\C=C\c1ccccc1 Amb33719420 [1,0,1,0,0,0|1,0,0]=3 1418 B11R1.91 NC(=O)\C=C\c1ccccc1 Amb8513084 [1,0,1,0,0,0|1,0,0]=3 1419 B11R1.91 NC(=O)\C=C\c1ccccn1 Amb25887084 [1,0,1,0,0,0|2,0,0]=4 1420 B11R1.91 NC(=O)\C=C\c1cccnc1 Amb33854872 [1,0,1,0,0,0|2,0,0]=4 1421 B11R1.91 NC(=O)\C=C\c1ccncc1 Amb26859260 [1,0,1,0,0,0|2,0,0]=4 1422 B11R1.91 NC(=O)\N=C\c1ccccc1 Amb28364091 [1,0,1,0,0,0|2,0,0]=4 1423 B11R1.91 NC(=S)\C=C\c1ccccc1 Amb18105844 [1,0,1,0,0,0|1,1,0]=4 1424 B11R1.91 O=C(Cl)\C=C\c1ccccc1 Amb2792900 [1,0,1,0,0,0|1,0,0]=3 1425 B11R1.91 O=C(Cl)\C=C\c1cccnc1 Amb6307270 [1,0,1,0,0,0|2,0,0]=4 1426 B11R1.91 O=C(O)C#Cc1ccccc1 Amb6364732 [1,0,1,0,0,0|0,0,2]=4 1427 B11R1.91 O=C(O)CCc1ccccc1 Amb6356505 [1,0,1,0,0,0|0,0,2]=4 1428 B11R1.91 O=C(O)CNc1ccccc1 Amb840513 [1,0,1,0,0,0|1,0,1]=4 1429 B11R1.91 O=C(O)COc1ccccc1 Amb1213413 [1,0,1,0,0,0|1,0,1]=4 1430 B11R1.91 O=C(O)COc1ccccc1 Amb22274444 [1,0,1,0,0,0|1,0,1]=4 1431 B11R1.91 O=C(O)CSc1ccccc1 Amb1038999 [1,0,1,0,0,0|1,0,1]=4 1432 B11R1.91 O=C(O)\C=C/c1ccccc1 Amb26880208 [1,0,1,0,0,0|0,0,0]=2 1433 B11R1.91 O=C(O)\C=C/c1ccccn1 Amb10071558 [1,0,1,0,0,0|1,0,0]=3 1434 B11R1.91 O=C(O)\C=C/c1cccnc1 Amb25378742 [1,0,1,0,0,0|1,0,0]=3 1435 B11R1.91 O=C(O)\C=C/c1ccncc1 Amb20622011 [1,0,1,0,0,0|1,0,0]=3 1436 B11R1.91 O=C(O)\C=C/c1cncnc1 Amb27975406 [1,0,1,0,0,0|2,0,0]=4 1437 B11R1.91 O=C(O)\C=C\N1C=CC=CC1 Amb22015329 [1,0,1,0,0,0|1,0,1]=4 1438 B11R1.91 O=C(O)\C=C\c1ccccc1 Amb33719192 [1,0,1,0,0,0|0,0,0]=2 1439 B11R1.91 O=C(O)\C=C\c1ccccc1 Amb6456608 [1,0,1,0,0,0|0,0,0]=2 1440 B11R1.91 O=C(O)\C=C\c1ccccn1 Amb2690432 [1,0,1,0,0,0|1,0,0]=3 1441 B11R1.91 O=C(O)\C=C\c1cccnc1 Amb2690433 [1,0,1,0,0,0|1,0,0]=3 1442 B11R1.91 O=C(O)\C=C\c1cccnc1 Amb33718815 [1,0,1,0,0,0|1,0,0]=3 1443 B11R1.91 O=C(O)\C=C\c1cccnn1 Amb18125070 [1,0,1,0,0,0|2,0,0]=4 1444 B11R1.91 O=C(O)\C=C\c1ccncc1 Amb1107607 [1,0,1,0,0,0|1,0,0]=3 1445 B11R1.91 O=C(O)\C=C\c1ccncn1 Amb25337419 [1,0,1,0,0,0|2,0,0]=4 1446 B11R1.91 O=C(O)\C=C\c1ccnnc1 Amb18125071 [1,0,1,0,0,0|2,0,0]=4 1447 B11R1.91 O=C(O)\C=C\c1cnccn1 Amb24082749 [1,0,1,0,0,0|2,0,0]=4 1448 B11R1.91 O=C(O)\C=C\c1cncnc1 Amb9780324 [1,0,1,0,0,0|2,0,0]=4 1449 B11R1.91 O=C(O)\C=C\c1ncccn1 Amb17593721 [1,0,1,0,0,0|2,0,0]=4 1450 B11R1.91 O=C([O-])\C=C\c1ccccc1 Amb33513073 [1,0,1,0,0,0|0,0,1]=3 1451 B11R1.91 O=C([O-])\C=C\c1ccccc1 Amb6383246 [1,0,1,0,0,0|0,0,1]=3 1452 B11R1.91 O=C([O-])\C=C\c1cccnc1 Amb33512942 [1,0,1,0,0,0|1,0,1]=4 1453 B11R1.91 O=S(O)\C=C\c1ccccc1 Amb32753683 [1,0,1,0,0,0|1,0,0]=3 1454 B11R1.91 O=S([O-])\C=C\c1ccccc1 Amb26016414 [1,0,1,0,0,0|1,0,1]=4 1455 B11R1.91 O=[N+]([O-])\C=C/c1ccccc1 Amb4066298 [1,0,1,0,0,0|1,0,1]=4 1456 B11R1.91 O=[N+]([O-])\C=C\c1ccccc1 Amb33719275 [1,0,1,0,0,0|1,0,1]=4 1457 B11R1.91 O=[N+]([O-])\C=C\c1ccccc1 Amb8396046 [1,0,1,0,0,0|1,0,1]=4 1458 B11R1.91 OB(O)\C=C\c1ccccc1 Amb2447227 [1,0,1,0,0,0|1,0,1]=4 1459 B11R1.101 O=C1C=CC=CC=CC=CC1 Amb26062133 [1,0,1,0,0,0|1,0,0]=3 1460 B11R1.41 C=CCc1ccccc1C=O Amb18124788 [1,0,1,0,0,0|1,0,1]=4 1461 B11R1.41 C=COc1ccccc1C=O Amb26334217 [1,0,1,0,0,0|1,0,1]=4 1462 B11R1.41 C=Cc1ccccc1N=C=O Amb27876100 [1,0,1,0,0,0|1,0,1]=4 1463 B11R1.41 C=Cc1ccccc1NC=O Amb27856053 [1,0,1,0,0,0|1,0,0]=3 1464 B11R1.41 C=Cc1ccccc1OCC Amb26635795 [1,0,1,0,0,0|1,0,1]=4 1465 B11R1.41 COc1ccccc1\C=C\Br Amb33134852 [1,0,1,0,0,0|1,0,1]=4 1466 B11R1.41 COc1ccccc1\C=N\O Amb4036201 [1,0,1,0,0,0|1,0,1]=4 1467 B11R1.41 C\C=C\c1ccccc1OC Amb28064969 [1,0,1,0,0,0|1,0,1]=4 1468 B11R1.41 O=CCc1ccccc1C=O Amb17593688 [1,0,1,0,0,0|0,0,2]=4 1469 B11R1.41 O=Cc1ccccc1CCO Amb17593729 [1,0,1,0,0,0|0,0,2]=4 1470 B11R1.17 C=C\C=C\c1ccccc1C Amb26953331 [1,0,1,0,0,0|2,0,0]=4 1471 B11R1.17 CC\C=C\c1ccccc1O Amb18124914 [1,0,1,0,0,0|1,0,1]=4 1472 B11R1.17 CO\C=C/c1ccccc1O Amb24485852 [1,0,1,0,0,0|2,0,0]=4 1473 B11R1.17 CO\C=C\c1ccccc1O Amb25715988 [1,0,1,0,0,0|2,0,0]=4 1474 B11R1.17 CS\C=C/c1ccccc1O Amb28351599 [1,0,1,0,0,0|2,0,0]=4 1475 B11R1.17 C\C=C/Oc1ccccc1O Amb28137745 [1,0,1,0,0,0|2,0,0]=4 1476 B11R1.17 C\C=C\Cc1ccccc1O Amb3940146 [1,0,1,0,0,0|1,0,1]=4 1477 B11R1.17 Cc1ccccc1\C=C\C=O Amb17232007 [1,0,1,0,0,0|1,0,0]=3 1478 B11R1.17 Cc1cccnc1\C=C\C=O Amb33428727 [1,0,1,0,0,0|2,0,0]=4 1479 B11R1.17 Cc1ccncc1\C=C\C=O Amb32953945 [1,0,1,0,0,0|2,0,0]=4 1480 B11R1.17 Cc1cnccc1\C=C\C=O Amb33414326 [1,0,1,0,0,0|2,0,0]=4 1481 B11R1.17 Cc1ncccc1\C=C\C=O Amb32878968 [1,0,1,0,0,0|2,0,0]=4 1482 B11R1.17 N#C\C=C/c1ccccc1O Amb26450429 [1,0,1,0,0,0|1,0,1]=4 1483 B11R1.17 N=C\C=C\c1ccccc1O Amb27226996 [1,0,1,0,0,0|1,0,0]=3 1484 B11R1.17 NC\C=C\c1ccccc1O Amb27442155 [1,0,1,0,0,0|1,0,1]=4 1485 B11R1.17 Nc1ccccc1\C=C\C=O Amb24538270 [1,0,1,0,0,0|1,0,0]=3 1486 B11R1.17 O=CCCc1ccccc1O Amb22228954 [1,0,1,0,0,0|0,0,2]=4 1487 B11R1.17 O=CCOc1ccccc1O Amb27176428 [1,0,1,0,0,0|1,0,1]=4 1488 B11R1.17 O=C\C=C\c1ccccc1Br Amb17240825 [1,0,1,0,0,0|1,0,0]=3 1489 B11R1.17 O=C\C=C\c1ccccc1Cl Amb17232625 [1,0,1,0,0,0|1,0,0]=3 1490 B11R1.17 O=C\C=C\c1ccccc1F Amb17232062 [1,0,1,0,0,0|1,0,0]=3 1491 B11R1.17 O=C\C=C\c1ccccc1O Amb842565 [1,0,1,0,0,0|0,0,0]=2 1492 B11R1.17 O=C\C=C\c1ccccc1S Amb28422741 [1,0,1,0,0,0|0,1,0]=3 1493 B11R1.17 O=C\C=C\c1cccnc1Br Amb33387808 [1,0,1,0,0,0|2,0,0]=4 1494 B11R1.17 O=C\C=C\c1cccnc1Cl Amb33406391 [1,0,1,0,0,0|2,0,0]=4 1495 B11R1.17 O=C\C=C\c1cccnc1F Amb33224035 [1,0,1,0,0,0|2,0,0]=4 1496 B11R1.17 O=C\C=C\c1ccncc1Br Amb33478364 [1,0,1,0,0,0|2,0,0]=4 1497 B11R1.17 O=C\C=C\c1ccncc1Cl Amb33413767 [1,0,1,0,0,0|2,0,0]=4 1498 B11R1.17 O=C\C=C\c1ccncc1F Amb33317172 [1,0,1,0,0,0|2,0,0]=4 1499 B11R1.17 O=C\C=C\c1ncccc1Br Amb33388586 [1,0,1,0,0,0|2,0,0]=4 1500 B11R1.17 O=C\C=C\c1ncccc1F Amb33418874 [1,0,1,0,0,0|2,0,0]=4 1501 B11R1.17 O=C\N=C\c1ccccc1O Amb24422424 [1,0,1,0,0,0|1,0,0]=3 1502 B11R1.17 OC\C=C\c1ccccc1O Amb33450068 [1,0,1,0,0,0|0,0,2]=4 1503 B11R1.17 Oc1ccccc1\C=C/CBr Amb27759396 [1,0,1,0,0,0|1,0,1]=4 1504 B11R1.17 Oc1ccccc1\C=C\CCl Amb27848186 [1,0,1,0,0,0|1,0,1]=4 1505 B11R1.86 C=C(C)Oc1ccccc1Cl Amb26611218 [1,0,1,0,0,0|2,0,0]=4 1506 B11R1.86 C=C(C)Sc1ccccc1O Amb18646620 [1,0,1,0,0,0|2,0,0]=4 1507 B11R1.86 CC(=O)Cc1ccccc1O Amb18041942 [1,0,1,0,0,0|1,0,1]=4 1508 B11R1.86 CC(=O)Nc1ccccc1O Amb1212257 [1,0,1,0,0,0|2,0,0]=4 1509 B11R1.86 CC(=O)Oc1ccccc1Br Amb20242519 [1,0,1,0,0,0|1,0,1]=4 1510 B11R1.86 CC(=O)Oc1ccccc1Cl Amb3123033 [1,0,1,0,0,0|1,0,1]=4 1511 B11R1.86 CC(=O)Oc1ccccc1F Amb10605688 [1,0,1,0,0,0|1,0,1]=4 1512 B11R1.86 CC(=O)Oc1ccccc1I Amb10975213 [1,0,1,0,0,0|1,0,1]=4 1513 B11R1.86 CC(=O)Oc1ccccc1O Amb18125344 [1,0,1,0,0,0|1,0,1]=4 1514 B11R1.86 Cc1ccccc1CC(=O)O Amb2609430 [1,0,1,0,0,0|1,0,1]=4 1515 B11R1.86 Cc1ccccc1OC(=O)Cl Amb24055454 [1,0,1,0,0,0|1,0,1]=4 1516 B11R1.86 NC(=O)Cc1ccccc1O Amb4020853 [1,0,1,0,0,0|1,0,1]=4 1517 B11R1.86 NC(=O)Nc1ccccc1O Amb18125361 [1,0,1,0,0,0|2,0,0]=4 1518 B11R1.86 NC(=O)Oc1ccccc1O Amb27148270 [1,0,1,0,0,0|2,0,0]=4 1519 B11R1.86 Nc1ccccc1CC(=O)O Amb5519014 [1,0,1,0,0,0|1,0,1]=4 1520 B11R1.86 O=C(Cl)Cc1ccccc1O Amb27477566 [1,0,1,0,0,0|1,0,1]=4 1521 B11R1.86 O=C(Cl)Oc1ccccc1Br Amb28365355 [1,0,1,0,0,0|2,0,0]=4 1522 B11R1.86 O=C(Cl)Oc1ccccc1Cl Amb10844668 [1,0,1,0,0,0|2,0,0]=4 1523 B11R1.86 O=C(Cl)Oc1ccccc1F Amb26641132 [1,0,1,0,0,0|2,0,0]=4 1524 B11R1.86 O=C(Cl)Oc1ccccc1I Amb28313136 [1,0,1,0,0,0|2,0,0]=4 1525 B11R1.86 O=C(O)C[n+]1ccccc1O Amb27233666 [1,0,1,0,0,0|1,0,1]=4 1526 B11R1.86 O=C(O)Cc1ccccc1Br Amb1139894 [1,0,1,0,0,0|1,0,1]=4 1527 B11R1.86 O=C(O)Cc1ccccc1Cl Amb6365808 [1,0,1,0,0,0|1,0,1]=4 1528 B11R1.86 O=C(O)Cc1ccccc1F Amb2688300 [1,0,1,0,0,0|1,0,1]=4 1529 B11R1.86 O=C(O)Cc1ccccc1I Amb2754650 [1,0,1,0,0,0|1,0,1]=4 1530 B11R1.86 O=C(O)Cc1ccccc1O Amb2388914 [1,0,1,0,0,0|0,0,1]=3 1531 B11R1.86 O=C(O)Cc1ccccc1S Amb17616851 [1,0,1,0,0,0|0,1,1]=4 1532 B11R1.86 O=C(O)Cc1cnccc1O Amb33547475 [1,0,1,0,0,0|1,0,1]=4 1533 B11R1.86 O=C(O)Cc1ncccc1O Amb18125512 [1,0,1,0,0,0|1,0,1]=4 1534 B11R1.86 O=C(O)Cc1ncccc1O Amb20247882 [1,0,1,0,0,0|1,0,1]=4 1535 B11R1.86 O=[PH](O)Oc1ccccc1O Amb28122429 [1,0,1,0,0,0|2,0,0]=4 1536 B11R1.86 Oc1ccccc1C=C(Br)Br Amb28077279 [1,0,1,0,0,0|2,0,0]=4 1537 B11R1.1 C=C\C=C\c1ccc(Cl)cc1 Amb25260911 [1,0,1,0,0,0|2,0,0]=4 1538 B11R1.1 C=C\C=C\c1ccc(F)cc1 Amb26993814 [1,0,1,0,0,0|2,0,0]=4 1539 B11R1.1 O=C\C=C\c1ccc(O)cc1 Amb6296905 [1,0,1,0,0,0|2,0,0]=4 1540 B11R1.24 O=C\C=C\c1cccc(O)c1 Amb17334281 [1,0,1,0,0,0|2,0,0]=4 1541 B11R1.37 C=Cc1ccc(O)cc1C=O Amb26343785 [1,0,1,0,0,0|2,0,0]=4 1542 B11R2.20 C1=CCc2ccccc2C1 Amb8392372 [2,0,0,0,0,0|1,0,1]=4 1543 B11R2.20 C1=COC2=CN=CNC2=C1 Amb24564703 [2,0,0,0,0,0|2,0,0]=4 1544 B11R2.20 C1=COc2ccccc2N1 Amb27828258 [2,0,0,0,0,0|1,0,0]=3 1545 B11R2.20 C1=COc2cccnc2C1 Amb27860347 [2,0,0,0,0,0|1,0,1]=4 1546 B11R2.20 C1=COc2cccnc2N1 Amb27403264 [2,0,0,0,0,0|2,0,0]=4 1547 B11R2.20 C1=COc2ccncc2C1 Amb28050276 [2,0,0,0,0,0|1,0,1]=4 1548 B11R2.20 C1=Cc2ccccc2CC1 Amb1162229 [2,0,0,0,0,0|1,0,1]=4 1549 B11R2.20 C1=Cc2ccccc2CN1 Amb25999205 [2,0,0,0,0,0|2,0,0]=4 1550 B11R2.20 C1=Cc2ccccc2CO1 Amb27473263 [2,0,0,0,0,0|2,0,0]=4 1551 B11R2.20 C1=Cc2ccccc2NC1 Amb17593383 [2,0,0,0,0,0|1,0,1]=4 1552 B11R2.20 C1=Cc2ccccc2OC1 Amb17844055 [2,0,0,0,0,0|0,0,1]=3 1553 B11R2.20 C1=Cc2ccccc2SC1 Amb27494059 [2,0,0,0,0,0|0,1,1]=4 1554 B11R2.20 C1=Nc2ccccc2OC1 Amb28456926 [2,0,0,0,0,0|1,0,1]=4 1555 B11R2.20 c1cc[n+]2cccnc2c1 Amb2603162 [2,0,0,0,0,0|2,0,0]=4 1556 B11R2.20 c1ccc2[nH+]cccc2c1 Amb10839799 [2,0,0,0,0,0|1,0,0]=3 1557 B11R2.20 c1ccc2ccccc2c1 Amb6608803 [2,0,0,0,0,0|1,0,0]=3 1558 B11R2.20 c1ccc2cnccc2c1 Amb2609970 [2,0,0,0,0,0|2,0,0]=4 1559 B11R2.20 c1ccc2ncccc2c1 Amb22002632 [2,0,0,0,0,0|1,0,0]=3 1560 B11R2.20 c1ccc2ncccc2c1 Amb2610545 [2,0,0,0,0,0|1,0,0]=3 1561 B11R2.20 c1ccc2nccnc2c1 Amb2099438 [2,0,0,0,0,0|2,0,0]=4 1562 B11R2.20 c1ccc2ncncc2c1 Amb2609962 [2,0,0,0,0,0|2,0,0]=4 1563 B11R2.20 c1ccc2nnccc2c1 Amb21858429 [2,0,0,0,0,0|2,0,0]=4 1564 B11R2.20 c1ccc2nnccc2c1 Amb22001549 [2,0,0,0,0,0|2,0,0]=4 1565 B11R2.20 c1cnc2cccnc2c1 Amb1106274 [2,0,0,0,0,0|2,0,0]=4 1566 B11R2.20 c1cnc2ccncc2c1 Amb6565155 [2,0,0,0,0,0|2,0,0]=4 1567 B11R2.20 c1cnc2cnccc2c1 Amb4560929 [2,0,0,0,0,0|2,0,0]=4 1568 B11R2.20 c1cnc2ncccc2c1 Amb15692873 [2,0,0,0,0,0|2,0,0]=4 1569 B13R1.133 C=C(C)C(=O)Cc1ccc(Br)cc1 Amb27597422 [0,1,1,0,0,0|2,0,0]=4 1570 B13R1.133 C=C(C)C(=O)Cc1ccc(C)cc1 Amb27648783 [0,1,1,0,0,0|2,0,0]=4 1571 B13R1.133 C=C(C)C(=O)Cc1ccc(F)cc1 Amb28246359 [0,1,1,0,0,0|2,0,0]=4 1572 B13R1.133 C=C(C)C(=O)Cc1ccc(I)cc1 Amb27193782 [0,1,1,0,0,0|2,0,0]=4 1573 B13R1.133 C=C(C)C(=O)Nc1ccc(Br)cc1 Amb22001452 [0,1,1,0,0,0|2,0,0]=4 1574 B13R1.133 C=C(C)C(=O)Nc1ccc(C)cc1 Amb2410051 [0,1,1,0,0,0|2,0,0]=4 1575 B13R1.133 C=C(C)C(=O)Nc1ccc(Cl)cc1 Amb2406800 [0,1,1,0,0,0|2,0,0]=4 1576 B13R1.133 C=C(C)C(=O)Nc1ccc(F)cc1 Amb28255752 [0,1,1,0,0,0|2,0,0]=4 1577 B13R1.133 C=C(C)C(=O)Oc1ccc(C)cc1 Amb27648885 [0,1,1,0,0,0|1,0,0]=3 1578 B13R1.133 C=C(C)C(=O)Oc1ccc(O)cc1 Amb4017255 [0,1,1,0,0,0|1,0,0]=3 1579 B13R1.133 C=C(Cc1ccc(Br)cc1)C(=O)O Amb27648751 [0,1,1,0,0,0|1,0,1]=4 1580 B13R1.133 C=C(Cc1ccc(F)cc1)C(=O)O Amb27232941 [0,1,1,0,0,0|1,0,1]=4 1581 B13R1.133 C=C(Cl)C(=O)Nc1ccc(Br)cc1 Amb22460391 [0,1,1,0,0,0|2,0,0]=4 1582 B13R1.133 C=C(Cl)C(=O)Nc1ccc(C)cc1 Amb22460375 [0,1,1,0,0,0|2,0,0]=4 1583 B13R1.133 C=C(Cl)C(=O)Nc1ccc(Cl)cc1 Amb2444521 [0,1,1,0,0,0|2,0,0]=4 1584 B13R1.133 C=C(Cl)C(=O)Nc1ccc(F)cc1 Amb27959929 [0,1,1,0,0,0|2,0,0]=4 1585 B13R1.133 C=C(Cl)C(=O)Nc1ccc(I)cc1 Amb22460397 [0,1,1,0,0,0|2,0,0]=4 1586 B13R1.133 CC(=O)\C(Br)=C\c1ccc(Cl)cc1 Amb2433257 [0,1,1,0,0,0|2,0,0]=4 1587 B13R1.133 CC(=O)\C(C)=C\c1ccc(Br)cc1 Amb27636305 [0,1,1,0,0,0|2,0,0]=4 1588 B13R1.133 CC(=O)\C(C)=C\c1ccc(Cl)cc1 Amb27617723 [0,1,1,0,0,0|2,0,0]=4 1589 B13R1.133 CC(O)C(=O)Oc1ccc(Br)cc1 Amb27651254 [0,1,1,0,0,0|0,0,2]=4 1590 B13R1.133 CC(O)C(=O)Oc1ccc(Cl)cc1 Amb27833425 [0,1,1,0,0,0|0,0,2]=4 1591 B13R1.133 CC(O)C(=O)Oc1ccc(F)cc1 Amb28185788 [0,1,1,0,0,0|0,0,2]=4 1592 B13R1.133 CC(O)C(=O)Oc1ccc(I)cc1 Amb28349667 [0,1,1,0,0,0|0,0,2]=4 1593 B13R1.133 C[C@@H](O)C(=O)Oc1ccc(F)cc1 Amb27615740 [0,1,1,0,0,0|0,0,2]=4 1594 B13R1.133 C\C(=C/c1cc[n+]([O-])cc1)C(=O)O Amb27857680 [0,1,1,0,0,0|2,0,0]=4 1595 B13R1.133 C\C(=C/c1ccc(Br)cc1)C(=O)O Amb25696415 [0,1,1,0,0,0|1,0,0]=3 1596 B13R1.133 C\C(=C/c1ccc(C)cc1)C(=O)O Amb4007782 [0,1,1,0,0,0|1,0,0]=3 1597 B13R1.133 C\C(=C/c1ccc(C)nc1)C(=O)O Amb27165831 [0,1,1,0,0,0|2,0,0]=4 1598 B13R1.133 C\C(=C/c1ccc(Cl)cc1)C(=O)O Amb33800051 [0,1,1,0,0,0|1,0,0]=3 1599 B13R1.133 C\C(=C/c1ccc(F)cc1)C(=O)O Amb32835535 [0,1,1,0,0,0|1,0,0]=3 1600 B13R1.133 C\C(=C/c1ccc(I)cc1)C(=O)O Amb17844105 [0,1,1,0,0,0|1,0,0]=3 1601 B13R1.133 C\C(=C/c1ccc(O)cc1)C(=O)O Amb18128066 [0,1,1,0,0,0|1,0,0]=3 1602 B13R1.133 C\C(=C/c1ccc(S)cc1)C(=O)O Amb27607664 [0,1,1,0,0,0|1,0,0]=3 1603 B13R1.133 C\C(=C\c1ccc(Br)cc1)C(=O)O Amb28042216 [0,1,1,0,0,0|1,0,0]=3 1604 B13R1.133 C\C(=C\c1ccc(Br)cn1)C(=O)O Amb27815482 [0,1,1,0,0,0|2,0,0]=4 1605 B13R1.133 C\C(=C\c1ccc(C)cn1)C(=O)O Amb27254577 [0,1,1,0,0,0|2,0,0]=4 1606 B13R1.133 C\C(=C\c1ccc(C)nc1)C(=O)O Amb27597711 [0,1,1,0,0,0|2,0,0]=4 1607 B13R1.133 C\C(=C\c1ccc(Cl)cc1)C(=O)O Amb4010035 [0,1,1,0,0,0|1,0,0]=3 1608 B13R1.133 C\C(=C\c1ccc(I)cc1)C(=O)O Amb28186320 [0,1,1,0,0,0|1,0,0]=3 1609 B13R1.133 C\C(=C\c1ccc(N)nc1)C(=O)O Amb27637678 [0,1,1,0,0,0|2,0,0]=4 1610 B13R1.133 C\C(=C\c1ccc(O)cc1)C(=O)O Amb28186661 [0,1,1,0,0,0|1,0,0]=3 1611 B13R1.133 Cc1ccc(CC(=O)C(=O)O)cc1 Amb1140634 [0,1,1,0,0,0|0,0,2]=4 1612 B13R1.133 Cc1ccc(CC(O)C(=O)O)cc1 Amb17138950 [0,1,1,0,0,0|0,0,2]=4 1613 B13R1.133 Cc1ccc(NC(=O)C(=O)O)cc1 Amb838974 [0,1,1,0,0,0|1,0,1]=4 1614 B13R1.133 Cc1ccc(SC(=O)C(=O)O)cc1 Amb28366039 [0,1,1,0,0,0|1,0,1]=4 1615 B13R1.133 Cc1ccc(\C=C(/F)C(=O)O)cc1 Amb18128596 [0,1,1,0,0,0|1,0,0]=3 1616 B13R1.133 Cc1ccc(\C=C(\Br)C(=O)O)cc1 Amb28042378 [0,1,1,0,0,0|1,0,0]=3 1617 B13R1.133 Cc1ccc(\C=C(\S)C(=O)O)cc1 Amb25950062 [0,1,1,0,0,0|0,1,0]=3 1618 B13R1.133 N\C(=C\c1ccc(Br)cc1)C(=O)O Amb29883100 [0,1,1,0,0,0|1,0,0]=3 1619 B13R1.133 N\C(=C\c1ccc(Br)cn1)C(=O)O Amb35644575 [0,1,1,0,0,0|2,0,0]=4 1620 B13R1.133 N\C(=C\c1ccc(Cl)cc1)C(=O)O Amb27399082 [0,1,1,0,0,0|1,0,0]=3 1621 B13R1.133 Nc1ccc(CC(=O)C(=O)O)cc1 Amb24433983 [0,1,1,0,0,0|0,0,2]=4 1622 B13R1.133 Nc1ccc(CC(O)C(=O)O)cc1 Amb24635658 [0,1,1,0,0,0|0,0,2]=4 1623 B13R1.133 Nc1ccc(C[C@H](O)C(=O)O)cc1 Amb27403844 [0,1,1,0,0,0|0,0,2]=4 1624 B13R1.133 Nc1ccc(NC(=O)C(=O)O)cc1 Amb1348301 [0,1,1,0,0,0|1,0,1]=4 1625 B13R1.133 Nc1ccc(NC(=S)C(=O)O)cc1 Amb27858852 [0,1,1,0,0,0|1,1,0]=4 1626 B13R1.133 Nc1ccc(\C=C(\F)C(=O)O)cc1 Amb27659003 [0,1,1,0,0,0|1,0,0]=3 1627 B13R1.133 O=C(O)C(=O)Cc1ccc(Br)cc1 Amb1140012 [0,1,1,0,0,0|0,0,2]=4 1628 B13R1.133 O=C(O)C(=O)Cc1ccc(Cl)cc1 Amb1141688 [0,1,1,0,0,0|0,0,2]=4 1629 B13R1.133 O=C(O)C(=O)Cc1ccc(F)cc1 Amb1130482 [0,1,1,0,0,0|0,0,2]=4 1630 B13R1.133 O=C(O)C(=O)Cc1ccc(I)cc1 Amb26533898 [0,1,1,0,0,0|0,0,2]=4 1631 B13R1.133 O=C(O)C(=O)Cc1ccc(O)cc1 Amb1124591 [0,1,1,0,0,0|0,0,2]=4 1632 B13R1.133 O=C(O)C(=O)Nc1ccc(Br)cc1 Amb838965 [0,1,1,0,0,0|1,0,1]=4 1633 B13R1.133 O=C(O)C(=O)Nc1ccc(Cl)cc1 Amb2371148 [0,1,1,0,0,0|1,0,1]=4 1634 B13R1.133 O=C(O)C(=O)Nc1ccc(F)cc1 Amb9303980 [0,1,1,0,0,0|1,0,1]=4 1635 B13R1.133 O=C(O)C(=O)Nc1ccc(I)cc1 Amb9303921 [0,1,1,0,0,0|1,0,1]=4 1636 B13R1.133 O=C(O)C(O)Cc1ccc(Br)cc1 Amb17159703 [0,1,1,0,0,0|0,0,2]=4 1637 B13R1.133 O=C(O)C(O)Cc1ccc(Cl)cc1 Amb17139824 [0,1,1,0,0,0|0,0,2]=4 1638 B13R1.133 O=C(O)C(O)Cc1ccc(F)cc1 Amb17139080 [0,1,1,0,0,0|0,0,2]=4 1639 B13R1.133 O=C(O)C(O)Cc1ccc(I)cc1 Amb25079589 [0,1,1,0,0,0|0,0,2]=4 1640 B13R1.133 O=C(O)C(O)Cc1ccc(O)cc1 Amb9813717 [0,1,1,0,0,0|0,0,2]=4 1641 B13R1.133 O=C(O)[C@@H](O)Cc1ccc(Br)cc1 Amb25943047 [0,1,1,0,0,0|0,0,2]=4 1642 B13R1.133 O=C(O)[C@@H](O)Cc1ccc(Cl)cc1 Amb25816136 [0,1,1,0,0,0|0,0,2]=4 1643 B13R1.133 O=C(O)[C@@H](O)Cc1ccc(F)cc1 Amb27401894 [0,1,1,0,0,0|0,0,2]=4 1644 B13R1.133 O=C(O)[C@@H](O)Cc1ccc(O)cc1 Amb8390585 [0,1,1,0,0,0|0,0,2]=4 1645 B13R1.133 O=C(O)[C@H](O)Cc1ccc(Cl)cc1 Amb25731054 [0,1,1,0,0,0|0,0,2]=4 1646 B13R1.133 O=C(O)[C@H](O)Cc1ccc(O)cc1 Amb22388639 [0,1,1,0,0,0|0,0,2]=4 1647 B13R1.133 O=C(O)\C(F)=C\c1ccc(Br)cc1 Amb27415963 [0,1,1,0,0,0|1,0,0]=3 1648 B13R1.133 O=C(O)\C(F)=C\c1ccc(Cl)cc1 Amb25209028 [0,1,1,0,0,0|1,0,0]=3 1649 B13R1.133 O=C(O)\C(F)=C\c1ccc(F)cc1 Amb25858140 [0,1,1,0,0,0|1,0,0]=3 1650 B13R1.133 O=C(O)\C(O)=C\c1ccc(F)cc1 Amb22549399 [0,1,1,0,0,0|0,0,0]=2 1651 B13R1.133 O=C(O)\C(S)=C/c1ccc(Cl)cc1 Amb2550970 [0,1,1,0,0,0|0,1,0]=3 1652 B13R1.133 O=C(O)\C(S)=C\c1ccc(Br)cc1 Amb1250113 [0,1,1,0,0,0|0,1,0]=3 1653 B13R1.133 O=C(O)\C(S)=C\c1ccc(F)cc1 Amb1250112 [0,1,1,0,0,0|0,1,0]=3 1654 B13R1.133 O=C(O)\C(S)=C\c1ccc(I)cc1 Amb24400252 [0,1,1,0,0,0|0,1,0]=3 1655 B13R1.135 C=C(CN)C(=O)Nc1ccccc1 Amb27403619 [0,1,1,0,0,0|2,0,0]=4 1656 B13R1.135 C=C(CO)C(=O)Nc1ccccc1 Amb27653164 [0,1,1,0,0,0|1,0,0]=3 1657 B13R1.135 C=C(CO)C(=O)Nc1cccnc1 Amb27979930 [0,1,1,0,0,0|2,0,0]=4 1658 B13R1.135 C=C(Cc1ccccc1)C(=O)OC Amb8390348 [0,1,1,0,0,0|1,0,1]=4 1659 B13R1.135 C=C(SC)C(=O)Nc1ccccc1 Amb27797309 [0,1,1,0,0,0|1,1,0]=4 1660 B13R1.135 C=CC(=O)\C(C)=C\c1ccccc1 Amb33081532 [0,1,1,0,0,0|2,0,0]=4 1661 B13R1.135 CCC(=O)\C(C)=C\c1ccccc1 Amb27428384 [0,1,1,0,0,0|2,0,0]=4 1662 B13R1.135 CNC(=O)\C(C)=C\c1ccccc1 Amb3447584 [0,1,1,0,0,0|2,0,0]=4 1663 B13R1.135 COC(=O)C(=O)Cc1ccccc1 Amb17138843 [0,1,1,0,0,0|0,0,2]=4 1664 B13R1.135 COC(=O)C(O)Cc1ccccc1 Amb17138951 [0,1,1,0,0,0|0,0,2]=4 1665 B13R1.135 COC(=O)[C@@H](O)Cc1ccccc1 Amb5722454 [0,1,1,0,0,0|0,0,2]=4 1666 B13R1.135 COC(=O)[C@H](O)Cc1ccccc1 Amb8390894 [0,1,1,0,0,0|0,0,2]=4 1667 B13R1.135 COC(=O)\C(Br)=C\c1ccccc1 Amb24331619 [0,1,1,0,0,0|1,0,0]=3 1668 B13R1.135 C\C(=C/c1ccccc1)C(=O)CCl Amb27657602 [0,1,1,0,0,0|2,0,0]=4 1669 B13R1.135 C\C(=C/c1ccccc1)C(=O)CN Amb33476121 [0,1,1,0,0,0|2,0,0]=4 1670 B13R1.135 C\C(=C\O)C(=O)Oc1ccccc1 Amb28190324 [0,1,1,0,0,0|0,0,1]=3 1671 B13R1.135 C\C=C(\C)C(=O)Nc1ccccc1 Amb27604243 [0,1,1,0,0,0|2,0,0]=4 1672 B13R1.135 C\C=C(\C)C(=O)Oc1ccccc1 Amb28126464 [0,1,1,0,0,0|1,0,0]=3 1673 B13R1.135 C\C=C(\C)C(=O)Oc1cccnc1 Amb27806023 [0,1,1,0,0,0|2,0,0]=4 1674 B13R1.135 NNC(=O)\C(F)=C\c1ccccc1 Amb27833930 [0,1,1,0,0,0|2,0,0]=4 1675 B13R1.135 O=C(CO)N(O)Cc1ccccc1 Amb27835032 [0,1,1,0,0,0|1,0,1]=4 1676 B13R1.135 O=C(NO)C(=O)Nc1ccccc1 Amb27439064 [0,1,1,0,0,0|1,0,1]=4 1677 B13R1.135 O=C(Nc1ccccc1)\C(Cl)=C/O Amb27755040 [0,1,1,0,0,0|2,0,0]=4 1678 B13R1.135 O=C(Nc1ccccc1)\C(Cl)=N/O Amb27473306 [0,1,1,0,0,0|2,0,0]=4 1679 B13R1.135 O=C(Nc1ccccc1)\C(Cl)=N\O Amb5720077 [0,1,1,0,0,0|2,0,0]=4 1680 B13R1.135 OCC(O)\C(O)=C\c1ccccc1 Amb22489644 [0,1,1,0,0,0|0,0,2]=4 1681 B13R1.148 C=C(C)C(=O)Cc1cccc(Br)c1 Amb28124558 [0,1,1,0,0,0|2,0,0]=4 1682 B13R1.148 C=C(C)C(=O)Cc1cccc(Cl)c1 Amb27950794 [0,1,1,0,0,0|2,0,0]=4 1683 B13R1.148 C=C(C)C(=O)Cc1cccc(F)c1 Amb27836893 [0,1,1,0,0,0|2,0,0]=4 1684 B13R1.148 C=C(C)C(=O)Cc1cccc(N)c1 Amb27398775 [0,1,1,0,0,0|2,0,0]=4 1685 B13R1.148 C=C(C)C(=O)Nc1cccc(N)c1 Amb28137733 [0,1,1,0,0,0|2,0,0]=4 1686 B13R1.148 C=C(C)C(=O)Oc1cccc(C)c1 Amb27398190 [0,1,1,0,0,0|1,0,0]=3 1687 B13R1.148 C=C(C)C(=O)Oc1cccc(N)c1 Amb27441115 [0,1,1,0,0,0|1,0,0]=3 1688 B13R1.148 C=C(Cc1cccc(O)c1)C(=O)O Amb28291558 [0,1,1,0,0,0|1,0,1]=4 1689 B13R1.148 C=C(Cl)C(=O)Nc1cccc(Br)c1 Amb27868861 [0,1,1,0,0,0|2,0,0]=4 1690 B13R1.148 C=C(Cl)C(=O)Nc1cccc(I)c1 Amb27845250 [0,1,1,0,0,0|2,0,0]=4 1691 B13R1.148 C=C(Cl)C(=O)Nc1cccc(O)c1 Amb27880021 [0,1,1,0,0,0|2,0,0]=4 1692 B13R1.148 CC(=O)\C(C)=C\c1cccc(Br)c1 Amb28240585 [0,1,1,0,0,0|2,0,0]=4 1693 B13R1.148 CC(=O)\C(C)=C\c1cccc(Cl)c1 Amb27454684 [0,1,1,0,0,0|2,0,0]=4 1694 B13R1.148 CC(=O)\C(C)=C\c1cccc(F)c1 Amb26542885 [0,1,1,0,0,0|2,0,0]=4 1695 B13R1.148 CC(=O)\C(C)=C\c1cccc(I)c1 Amb28045755 [0,1,1,0,0,0|2,0,0]=4 1696 B13R1.148 CC(O)C(=O)Oc1cccc(F)c1 Amb28349643 [0,1,1,0,0,0|0,0,2]=4 1697 B13R1.148 CC(O)C(=O)Oc1cccc(I)c1 Amb27594382 [0,1,1,0,0,0|0,0,2]=4 1698 B13R1.148 C[C@@H](O)C(=O)Oc1cccc(F)c1 Amb27615757 [0,1,1,0,0,0|0,0,2]=4 1699 B13R1.148 C[C@H](O)C(=O)Oc1cccc(Cl)c1 Amb27599023 [0,1,1,0,0,0|0,0,2]=4 1700 B13R1.148 C\C(=C/c1cc(C)ccn1)C(=O)O Amb28137941 [0,1,1,0,0,0|2,0,0]=4 1701 B13R1.148 C\C(=C/c1cccc(Br)c1)C(=O)O Amb22339395 [0,1,1,0,0,0|1,0,0]=3 1702 B13R1.148 C\C(=C/c1cccc(C)c1)C(=O)O Amb4009520 [0,1,1,0,0,0|1,0,0]=3 1703 B13R1.148 C\C(=C/c1cccc(Cl)c1)C(=O)O Amb4007781 [0,1,1,0,0,0|1,0,0]=3 1704 B13R1.148 C\C(=C/c1cccc(F)c1)C(=O)O Amb24745620 [0,1,1,0,0,0|1,0,0]=3 1705 B13R1.148 C\C(=C/c1cccc(I)c1)C(=O)O Amb27393743 [0,1,1,0,0,0|1,0,0]=3 1706 B13R1.148 C\C(=C\c1ccnc(Br)c1)C(=O)O Amb27951843 [0,1,1,0,0,0|2,0,0]=4 1707 B13R1.148 Cc1cccc(CC(=O)C(=O)O)c1 Amb1131949 [0,1,1,0,0,0|0,0,2]=4 1708 B13R1.148 Cc1cccc(CC(O)C(=O)O)c1 Amb17138949 [0,1,1,0,0,0|0,0,2]=4 1709 B13R1.148 Cc1cccc(NC(=O)C(=O)O)c1 Amb838988 [0,1,1,0,0,0|1,0,1]=4 1710 B13R1.148 Cc1cccc(NC(=S)C(=O)O)c1 Amb27985884 [0,1,1,0,0,0|1,1,0]=4 1711 B13R1.148 Cc1cccc(OC(=O)C(C)O)c1 Amb27757078 [0,1,1,0,0,0|0,0,2]=4 1712 B13R1.148 Cc1cccc(\C=C(/F)C(=O)O)c1 Amb32677835 [0,1,1,0,0,0|1,0,0]=3 1713 B13R1.148 N\C(=C\c1cccc(Br)c1)C(=O)O Amb29883096 [0,1,1,0,0,0|1,0,0]=3 1714 B13R1.148 Nc1cccc(CC(O)C(=O)O)c1 Amb27415733 [0,1,1,0,0,0|0,0,2]=4 1715 B13R1.148 O=C(O)C(=O)Cc1cccc(Br)c1 Amb1137720 [0,1,1,0,0,0|0,0,2]=4 1716 B13R1.148 O=C(O)C(=O)Cc1cccc(Cl)c1 Amb1135307 [0,1,1,0,0,0|0,0,2]=4 1717 B13R1.148 O=C(O)C(=O)Cc1cccc(F)c1 Amb1126816 [0,1,1,0,0,0|0,0,2]=4 1718 B13R1.148 O=C(O)C(=O)Cc1cccc(I)c1 Amb27768916 [0,1,1,0,0,0|0,0,2]=4 1719 B13R1.148 O=C(O)C(=O)Cc1cccc(O)c1 Amb1141341 [0,1,1,0,0,0|0,0,2]=4 1720 B13R1.148 O=C(O)C(=O)Nc1cccc(Br)c1 Amb838964 [0,1,1,0,0,0|1,0,1]=4 1721 B13R1.148 O=C(O)C(=O)Nc1cccc(Cl)c1 Amb838963 [0,1,1,0,0,0|1,0,1]=4 1722 B13R1.148 O=C(O)C(=O)Nc1cccc(F)c1 Amb9303976 [0,1,1,0,0,0|1,0,1]=4 1723 B13R1.148 O=C(O)C(=S)Cc1cccc(Cl)c1 Amb27798340 [0,1,1,0,0,0|0,1,1]=4 1724 B13R1.148 O=C(O)C(O)Cc1cccc(Br)c1 Amb17159702 [0,1,1,0,0,0|0,0,2]=4 1725 B13R1.148 O=C(O)C(O)Cc1cccc(Cl)c1 Amb33549427 [0,1,1,0,0,0|0,0,2]=4 1726 B13R1.148 O=C(O)C(O)Cc1cccc(F)c1 Amb26651975 [0,1,1,0,0,0|0,0,2]=4 1727 B13R1.148 O=C(O)C(O)Cc1cccc(I)c1 Amb33353476 [0,1,1,0,0,0|0,0,2]=4 1728 B13R1.148 O=C(O)C(O)Cc1cccc(O)c1 Amb32669558 [0,1,1,0,0,0|0,0,2]=4 1729 B13R1.148 O=C(O)[C@@H](O)Cc1cccc(F)c1 Amb24725523 [0,1,1,0,0,0|0,0,2]=4 1730 B13R1.148 O=C(O)[C@H](O)Cc1cccc(Br)c1 Amb26964962 [0,1,1,0,0,0|0,0,2]=4 1731 B13R1.148 O=C(O)\C(Br)=C\c1cccc(Cl)c1 Amb2794050 [0,1,1,0,0,0|1,0,0]=3 1732 B13R1.148 O=C(O)\C(Cl)=C/c1cccc(Cl)c1 Amb27427070 [0,1,1,0,0,0|1,0,0]=3 1733 B13R1.148 O=C(O)\C(F)=C\c1cccc(Br)c1 Amb24520960 [0,1,1,0,0,0|1,0,0]=3 1734 B13R1.148 O=C(O)\C(F)=C\c1cccc(Cl)c1 Amb25085473 [0,1,1,0,0,0|1,0,0]=3 1735 B13R1.148 O=C(O)\C(F)=C\c1cccc(F)c1 Amb27162615 [0,1,1,0,0,0|1,0,0]=3 1736 B13R1.148 O=C(O)\C(F)=C\c1cccc(O)c1 Amb26474923 [0,1,1,0,0,0|1,0,0]=3 1737 B13R1.148 O=C(O)\C(S)=C\c1cccc(Cl)c1 Amb4036384 [0,1,1,0,0,0|0,1,0]=3 1738 B13R1.152 C=C(C(=C)c1ccccc1)C(=O)O Amb27760436 [0,1,1,0,0,0|1,0,0]=3 1739 B13R1.152 C=C(C(=O)O)C(C)c1ccccc1 Amb24634053 [0,1,1,0,0,0|1,0,1]=4 1740 B13R1.152 C=C(C(=O)O)C(O)c1ccccc1 Amb27477832 [0,1,1,0,0,0|1,0,1]=4 1741 B13R1.152 C=C(C(C)=O)C(=O)c1ccccc1 Amb17594383 [0,1,1,0,0,0|2,0,0]=4 1742 B13R1.152 C=C(C)C(=O)C(C)c1ccccc1 Amb27267154 [0,1,1,0,0,0|2,0,0]=4 1743 B13R1.152 C=C(C)C(=O)N(N)c1ccccc1 Amb33191329 [0,1,1,0,0,0|2,0,0]=4 1744 B13R1.152 C=C(C)C(=O)[C@@H](O)c1ccccc1 Amb28381192 [0,1,1,0,0,0|2,0,0]=4 1745 B13R1.152 C=C(Cl)C(=O)N(C)c1ccccc1 Amb27436283 [0,1,1,0,0,0|2,0,0]=4 1746 B13R1.152 C=C(c1ccccc1)C(C)C(=O)O Amb18127713 [0,1,1,0,0,0|1,0,1]=4 1747 B13R1.152 CC(=O)\C(C)=C(/O)c1ccccc1 Amb17594481 [0,1,1,0,0,0|2,0,0]=4 1748 B13R1.152 CC(=O)\C(C)=C(\N)c1ccccc1 Amb27966823 [0,1,1,0,0,0|2,0,0]=4 1749 B13R1.152 CC(C(=O)C(=O)O)c1ccccc1 Amb18648106 [0,1,1,0,0,0|0,0,2]=4 1750 B13R1.152 CC(C(=S)C(=O)O)c1ccccc1 Amb27409058 [0,1,1,0,0,0|0,1,1]=4 1751 B13R1.152 CC(c1ccccc1)C(O)C(=O)O Amb33537959 [0,1,1,0,0,0|0,0,2]=4 1752 B13R1.152 CN(C(=O)C(=O)O)c1ccccc1 Amb9303801 [0,1,1,0,0,0|1,0,1]=4 1753 B13R1.152 C\C(=C(\F)C(=O)O)c1ccccc1 Amb18128594 [0,1,1,0,0,0|1,0,0]=3 1754 B13R1.152 C\C(C(=O)O)=C(\C)c1ccccc1 Amb18127724 [0,1,1,0,0,0|1,0,0]=3 1755 B13R1.152 C\C(C(=O)O)=C(\C)c1ccncc1 Amb27485139 [0,1,1,0,0,0|2,0,0]=4 1756 B13R1.152 C\C(O)=C(\C)C(=O)c1ccccc1 Amb24378973 [0,1,1,0,0,0|2,0,0]=4 1757 B13R1.152 NC(c1ccccc1)C(O)C(=O)O Amb2697384 [0,1,1,0,0,0|0,0,2]=4 1758 B13R1.152 N[C@@H](c1ccccc1)C(O)C(=O)O Amb28422254 [0,1,1,0,0,0|0,0,2]=4 1759 B13R1.152 N[C@@H](c1ccccc1)[C@@H](O)C(=O)O Amb10601661 [0,1,1,0,0,0|0,0,2]=4 1760 B13R1.152 N[C@@H](c1ccccc1)[C@@H](O)C(=O)O Amb16231605 [0,1,1,0,0,0|0,0,2]=4 1761 B13R1.152 N[C@@H](c1ccccc1)[C@H](O)C(=O)O Amb27874033 [0,1,1,0,0,0|0,0,2]=4 1762 B13R1.152 N[C@H](c1ccccc1)[C@@H](O)C(=O)O Amb17779638 [0,1,1,0,0,0|0,0,2]=4 1763 B13R1.152 N[C@H](c1ccccc1)[C@H](O)C(=O)O Amb17619345 [0,1,1,0,0,0|0,0,2]=4 1764 B13R1.152 N[C@H](c1ccccc1)[C@H](O)C(=O)O Amb22745018 [0,1,1,0,0,0|0,0,2]=4 1765 B13R1.152 O=C(O)C(=O)C(=O)c1ccccc1 Amb31096952 [0,1,1,0,0,0|0,0,1]=3 1766 B13R1.152 O=C(O)C(=O)C(=O)c1ccccn1 Amb31096954 [0,1,1,0,0,0|1,0,1]=4 1767 B13R1.152 O=C(O)C(=O)C(=O)c1cccnc1 Amb31096955 [0,1,1,0,0,0|1,0,1]=4 1768 B13R1.152 O=C(O)C(=O)C(=O)c1ccncc1 Amb31096956 [0,1,1,0,0,0|1,0,1]=4 1769 B13R1.152 O=C(O)C(=O)C(Br)c1ccccc1 Amb18135901 [0,1,1,0,0,0|0,0,2]=4 1770 B13R1.152 O=C(O)C(=O)C(F)c1ccccc1 Amb27179146 [0,1,1,0,0,0|0,0,2]=4 1771 B13R1.152 O=C(O)C(=O)C(O)c1ccccc1 Amb27400378 [0,1,1,0,0,0|0,0,2]=4 1772 B13R1.152 O=C(O)C(O)C(Br)c1ccccc1 Amb17596766 [0,1,1,0,0,0|0,0,2]=4 1773 B13R1.152 O=C(O)C(O)C(O)c1ccccc1 Amb2799349 [0,1,1,0,0,0|0,0,2]=4 1774 B13R1.152 O=C(O)[C@@H](O)[C@@H](O)c1ccccc1 Amb559389 [0,1,1,0,0,0|0,0,2]=4 1775 B13R1.152 O=C(O)[C@@H](O)[C@H](Cl)c1ccccc1 Amb27438527 [0,1,1,0,0,0|0,0,2]=4 1776 B13R1.152 O=C(O)\C(Br)=C(/Br)c1ccccc1 Amb28240921 [0,1,1,0,0,0|1,0,0]=3 1777 B13R1.152 O=C(O)\C(Br)=C(\Br)c1ccccc1 Amb4013024 [0,1,1,0,0,0|1,0,0]=3 1778 B13R1.152 O=C(O)\C(Cl)=C(\F)c1ccccc1 Amb26913366 [0,1,1,0,0,0|1,0,0]=3 1779 B13R1.202 C=C(C)C(=O)Cc1ccccc1Br Amb27778385 [0,1,1,0,0,0|2,0,0]=4 1780 B13R1.202 C=C(C)C(=O)Cc1ccccc1C Amb27750536 [0,1,1,0,0,0|2,0,0]=4 1781 B13R1.202 C=C(C)C(=O)Nc1ccccc1Cl Amb28046252 [0,1,1,0,0,0|2,0,0]=4 1782 B13R1.202 C=C(C)C(=O)Oc1ccccc1C Amb28292452 [0,1,1,0,0,0|1,0,0]=3 1783 B13R1.202 C=C(C)C(=O)Oc1ccccc1N Amb27415716 [0,1,1,0,0,0|1,0,0]=3 1784 B13R1.202 C=C(Cc1ccccc1C)C(=O)O Amb27401861 [0,1,1,0,0,0|1,0,1]=4 1785 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1C Amb27620885 [0,1,1,0,0,0|2,0,0]=4 1786 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1Cl Amb22460395 [0,1,1,0,0,0|2,0,0]=4 1787 B13R1.202 C[C@@H](O)C(=O)Oc1ccccc1Cl Amb28291980 [0,1,1,0,0,0|0,0,2]=4 1788 B13R1.202 C[C@@H](O)C(=O)Oc1ccccc1F Amb27443836 [0,1,1,0,0,0|0,0,2]=4 1789 B13R1.202 C[C@H](O)C(=O)Oc1ccccc1Br Amb27260977 [0,1,1,0,0,0|0,0,2]=4 1790 B13R1.202 C\C(=C/c1ccccc1Br)C(=O)O Amb27181049 [0,1,1,0,0,0|1,0,0]=3 1791 B13R1.202 C\C(=C/c1ccccc1C)C(=O)O Amb4013359 [0,1,1,0,0,0|1,0,0]=3 1792 B13R1.202 C\C(=C/c1ccccc1Cl)C(=O)O Amb4005937 [0,1,1,0,0,0|1,0,0]=3 1793 B13R1.202 C\C(=C/c1ccccc1F)C(=O)O Amb5743929 [0,1,1,0,0,0|1,0,0]=3 1794 B13R1.202 C\C(=C/c1ccccc1O)C(=O)O Amb27881651 [0,1,1,0,0,0|1,0,0]=3 1795 B13R1.202 C\C(=C\c1ccccc1Br)C(=O)O Amb28128655 [0,1,1,0,0,0|1,0,0]=3 1796 B13R1.202 C\C(=C\c1ccccc1F)C(=O)O Amb27403871 [0,1,1,0,0,0|1,0,0]=3 1797 B13R1.202 C\C(=C\c1ccccc1N)C(=O)O Amb28436850 [0,1,1,0,0,0|1,0,0]=3 1798 B13R1.202 C\C(=N/c1ccccc1C)C(=O)O Amb27415502 [0,1,1,0,0,0|2,0,0]=4 1799 B13R1.202 Cc1ccccc1CC(=O)C(=O)O Amb1125804 [0,1,1,0,0,0|0,0,2]=4 1800 B13R1.202 Cc1ccccc1CC(O)C(=O)O Amb17138948 [0,1,1,0,0,0|0,0,2]=4 1801 B13R1.202 Cc1ccccc1NC(=O)C(=O)O Amb838973 [0,1,1,0,0,0|1,0,1]=4 1802 B13R1.202 Cc1ccccc1OC(=O)C(C)O Amb28078735 [0,1,1,0,0,0|0,0,2]=4 1803 B13R1.202 Cc1ccccc1OC(=O)[C@H](C)O Amb27458519 [0,1,1,0,0,0|0,0,2]=4 1804 B13R1.202 Cc1ccccc1\C=C(/F)C(=O)O Amb32677834 [0,1,1,0,0,0|1,0,0]=3 1805 B13R1.202 Cc1ccccc1\C=C(/S)C(=O)O Amb24115487 [0,1,1,0,0,0|0,1,0]=3 1806 B13R1.202 Cc1ccccc1\C=C(\N)C(=O)O Amb28078042 [0,1,1,0,0,0|1,0,0]=3 1807 B13R1.202 Cc1ccccc1\C=C(\S)C(=O)O Amb27650601 [0,1,1,0,0,0|0,1,0]=3 1808 B13R1.202 Cc1ccncc1\C=C(\N)C(=O)O Amb27664554 [0,1,1,0,0,0|2,0,0]=4 1809 B13R1.202 N=C(Nc1ccccc1Cl)C(=O)O Amb27876025 [0,1,1,0,0,0|2,0,0]=4 1810 B13R1.202 N\C(=C\c1ccccc1Cl)C(=O)O Amb28456914 [0,1,1,0,0,0|1,0,0]=3 1811 B13R1.202 Nc1ccccc1CC(=S)C(=O)O Amb27415505 [0,1,1,0,0,0|0,1,1]=4 1812 B13R1.202 O=C(O)C(=O)Cc1ccccc1Br Amb6261503 [0,1,1,0,0,0|0,0,2]=4 1813 B13R1.202 O=C(O)C(=O)Cc1ccccc1Cl Amb1135873 [0,1,1,0,0,0|0,0,2]=4 1814 B13R1.202 O=C(O)C(=O)Cc1ccccc1F Amb6249101 [0,1,1,0,0,0|0,0,2]=4 1815 B13R1.202 O=C(O)C(=O)Cc1ccccc1O Amb26601164 [0,1,1,0,0,0|0,0,2]=4 1816 B13R1.202 O=C(O)C(=O)Nc1ccccc1Br Amb9238892 [0,1,1,0,0,0|1,0,1]=4 1817 B13R1.202 O=C(O)C(=O)Nc1ccccc1Cl Amb9303981 [0,1,1,0,0,0|1,0,1]=4 1818 B13R1.202 O=C(O)C(=O)Nc1ccccc1F Amb9303984 [0,1,1,0,0,0|1,0,1]=4 1819 B13R1.202 O=C(O)C(=O)Nc1ccccc1O Amb18128783 [0,1,1,0,0,0|1,0,1]=4 1820 B13R1.202 O=C(O)C(=S)Cc1ccccc1Cl Amb26316839 [0,1,1,0,0,0|0,1,1]=4 1821 B13R1.202 O=C(O)C(=S)Cc1ccccc1O Amb28044414 [0,1,1,0,0,0|0,1,1]=4 1822 B13R1.202 O=C(O)C(O)Cc1ccccc1Br Amb26914266 [0,1,1,0,0,0|0,0,2]=4 1823 B13R1.202 O=C(O)C(O)Cc1ccccc1Cl Amb17139822 [0,1,1,0,0,0|0,0,2]=4 1824 B13R1.202 O=C(O)C(O)Cc1ccccc1F Amb17139079 [0,1,1,0,0,0|0,0,2]=4 1825 B13R1.202 O=C(O)C(O)Cc1ccccc1O Amb24692674 [0,1,1,0,0,0|0,0,2]=4 1826 B13R1.202 O=C(O)[C@H](O)Cc1ccccc1F Amb28291609 [0,1,1,0,0,0|0,0,2]=4 1827 B13R1.202 O=C(O)\C(F)=C\c1ccccc1Br Amb27415913 [0,1,1,0,0,0|1,0,0]=3 1828 B13R1.202 O=C(O)\C(F)=C\c1ccccc1Cl Amb25256125 [0,1,1,0,0,0|1,0,0]=3 1829 B13R1.202 O=C(O)\C(F)=C\c1ccccc1F Amb27812349 [0,1,1,0,0,0|1,0,0]=3 1830 B13R1.202 O=C(O)\C(S)=C/c1ccccc1Cl Amb2550971 [0,1,1,0,0,0|0,1,0]=3 1831 B13R1.353 CC(C)(O)C(=O)Oc1ccccc1 Amb27858229 [0,1,1,0,0,0|0,0,2]=4 1832 B13R1.418 C=C\C(=C\c1ccccc1)C(C)=O Amb27486089 [0,1,1,0,0,0|2,0,0]=4 1833 B13R1.418 CC(=O)\C(=C/O)Cc1ccccc1 Amb27260481 [0,1,1,0,0,0|1,0,1]=4 1834 B13R1.418 CC(=O)\C(=C\c1ccccc1)CCl Amb27252370 [0,1,1,0,0,0|2,0,0]=4 1835 B13R1.418 CC(=O)\C(Cc1ccccc1)=N/O Amb28202239 [0,1,1,0,0,0|1,0,1]=4 1836 B13R1.418 CC\C(=C/c1ccccc1)C(=O)O Amb4021410 [0,1,1,0,0,0|1,0,0]=3 1837 B13R1.418 CC\C(=C/c1ccccc1)C(C)=O Amb25285770 [0,1,1,0,0,0|2,0,0]=4 1838 B13R1.418 CC\C(=C/c1ccccn1)C(=O)O Amb5743950 [0,1,1,0,0,0|2,0,0]=4 1839 B13R1.418 CC\C(=C/c1cccnc1)C(=O)O Amb5743951 [0,1,1,0,0,0|2,0,0]=4 1840 B13R1.418 CC\C(=C/c1ccncc1)C(=O)O Amb5743952 [0,1,1,0,0,0|2,0,0]=4 1841 B13R1.418 CC\C(=C\c1cccnc1)C(=O)O Amb28321006 [0,1,1,0,0,0|2,0,0]=4 1842 B13R1.418 COC(Cc1ccccc1)C(=O)O Amb18128650 [0,1,1,0,0,0|0,0,2]=4 1843 B13R1.418 CO\C(=C/c1ccccc1)C(=O)O Amb1945718 [0,1,1,0,0,0|0,0,0]=2 1844 B13R1.418 CO\C(=C\c1ccccc1)C(=O)O Amb28242324 [0,1,1,0,0,0|0,0,0]=2 1845 B13R1.418 CO\C(=C\c1ccncc1)C(C)=O Amb28201155 [0,1,1,0,0,0|2,0,0]=4 1846 B13R1.418 CS\C(=C/c1ccccn1)C(=O)O Amb1761007 [0,1,1,0,0,0|1,1,0]=4 1847 B13R1.418 CS\C(=C/c1cccnc1)C(=O)O Amb1761008 [0,1,1,0,0,0|1,1,0]=4 1848 B13R1.418 CS\C(=C/c1ccncc1)C(=O)O Amb1761006 [0,1,1,0,0,0|1,1,0]=4 1849 B13R1.418 CS\C(=C\c1ccccc1)C(=O)O Amb18130097 [0,1,1,0,0,0|0,1,0]=3 1850 B13R1.418 N#C\C(=C/c1ccccc1)C(=O)Cl Amb17143094 [0,1,1,0,0,0|2,0,0]=4 1851 B13R1.418 N#C\C(=C/c1ccccc1)C(=O)O Amb17224284 [0,1,1,0,0,0|1,0,0]=3 1852 B13R1.418 N#C\C(=C/c1ccccc1)C(N)=O Amb2222555 [0,1,1,0,0,0|2,0,0]=4 1853 B13R1.418 N#C\C(=C/c1ccccn1)C(=O)O Amb6245649 [0,1,1,0,0,0|2,0,0]=4 1854 B13R1.418 N#C\C(=C/c1cccnc1)C(=O)O Amb1133348 [0,1,1,0,0,0|2,0,0]=4 1855 B13R1.418 N#C\C(=C/c1ccncc1)C(=O)O Amb1125727 [0,1,1,0,0,0|2,0,0]=4 1856 B13R1.418 N#C\C(=C\c1ccccc1)C(=O)O Amb4015026 [0,1,1,0,0,0|1,0,0]=3 1857 B13R1.418 N#C\C(=C\c1ccccc1)C(N)=O Amb4074010 [0,1,1,0,0,0|2,0,0]=4 1858 B13R1.418 N#C\C(=C\c1cccnc1)C(=O)O Amb10068989 [0,1,1,0,0,0|2,0,0]=4 1859 B13R1.418 N#C\C(=C\c1ccncc1)C(=O)O Amb32416243 [0,1,1,0,0,0|2,0,0]=4 1860 B13R1.418 NC(=O)\C(=C\O)Sc1ccccc1 Amb27630458 [0,1,1,0,0,0|2,0,0]=4 1861 B13R1.418 NC\C(=C/c1cccnc1)C(=O)O Amb27232796 [0,1,1,0,0,0|2,0,0]=4 1862 B13R1.418 NC\C(=C\c1cccnc1)C(=O)O Amb27477995 [0,1,1,0,0,0|2,0,0]=4 1863 B13R1.418 NOC(Cc1ccccc1)C(=O)O Amb32663372 [0,1,1,0,0,0|0,0,2]=4 1864 B13R1.418 NOC(Cc1ccccc1)C(=O)O Amb33339164 [0,1,1,0,0,0|0,0,2]=4 1865 B13R1.418 N\N=C(\Cc1ccccc1)C(=O)O Amb27409024 [0,1,1,0,0,0|1,0,1]=4 1866 B13R1.418 O=C(O)C(CO)Cc1ccccc1 Amb31291631 [0,1,1,0,0,0|0,0,2]=4 1867 B13R1.418 O=C(O)C(Cc1ccccc1)NO Amb33482855 [0,1,1,0,0,0|0,0,2]=4 1868 B13R1.418 O=C(O)[C@H](CO)Nc1ccccc1 Amb28243263 [0,1,1,0,0,0|1,0,1]=4 1869 B13R1.418 O=C(O)\C(=C/O)Nc1ccccc1 Amb27440517 [0,1,1,0,0,0|1,0,0]=3 1870 B13R1.418 O=C(O)\C(=C/c1ccccc1)CO Amb20671516 [0,1,1,0,0,0|0,0,0]=2 1871 B13R1.418 O=C(O)\C(=C\Cl)Cc1ccccc1 Amb27187237 [0,1,1,0,0,0|1,0,1]=4 1872 B13R1.418 O=C(O)\C(Cc1ccccc1)=N/O Amb4035775 [0,1,1,0,0,0|0,0,1]=3 1873 B13R1.418 O=C(O)\C(Cc1ccccn1)=N/O Amb23603651 [0,1,1,0,0,0|1,0,1]=4 1874 B13R1.418 O=C(O)\C(Cc1cccnc1)=N/O Amb23603650 [0,1,1,0,0,0|1,0,1]=4 1875 B13R1.418 O=C(O)\C(Cc1ccncc1)=N/O Amb23603652 [0,1,1,0,0,0|1,0,1]=4 1876 B13R1.418 O=[N+]([O-])\C(=C/c1ccccc1)CO Amb27191700 [0,1,1,0,0,0|1,0,1]=4 1877 B13R1.418 [C-]#[N+]\C(=C/c1ccccc1)C(=O)O Amb27608648 [0,1,1,0,0,0|1,0,0]=3 1878 B13R1.1073 CC(O)(Cc1ccccc1)C(=O)O Amb10067052 [0,1,1,0,0,0|0,0,2]=4 1879 B13R1.1073 C[C@@](O)(Cc1ccccc1)C(=O)O Amb10067053 [0,1,1,0,0,0|0,0,2]=4 1880 B13R1.1073 C[C@](O)(Cc1ccccc1)C(=O)O Amb4166326 [0,1,1,0,0,0|0,0,2]=4 1881 B13R1.380 C=CCc1ccccc1OC(=O)Cl Amb33297027 [0,1,1,0,0,0|1,0,1]=4 1882 B13R1.380 CC(=O)Nc1ccccc1\C=C\Br Amb33135173 [0,1,1,0,0,0|2,0,0]=4 1883 B13R1.380 CC(=O)Nc1ccccc1\C=C\Cl Amb27878645 [0,1,1,0,0,0|2,0,0]=4 1884 B13R1.380 CC(=O)Nc1ccccc1\C=N\O Amb27782390 [0,1,1,0,0,0|2,0,0]=4 1885 B13R1.380 NC(=O)Nc1ccccc1\C=N\O Amb27471956 [0,1,1,0,0,0|2,0,0]=4 1886 B13R1.380 O=C(O)Cc1ccccc1\C=N\O Amb27489077 [0,1,1,0,0,0|2,0,0]=4 1887 B13R1.382 C\C=C(\C)c1ccccc1NC=O Amb28077107 [0,1,1,0,0,0|2,0,0]=4 1888 B13R1.485 C=CCOc1ccccc1\C=N\O Amb6565443 [0,1,1,0,0,0|2,0,0]=4 1889 B13R1.485 C=CCc1ccccc1OCC=O Amb5731837 [0,1,1,0,0,0|1,0,1]=4 1890 B13R1.485 CCOc1ccccc1\C=C\CO Amb33080056 [0,1,1,0,0,0|1,0,1]=4 1891 B13R1.40 C\C(C=O)=C/c1cccc(C)c1O Amb23596358 [0,1,1,0,0,0|1,0,0]=3 1892 B13R1.40 C\C(C=O)=C\c1cccc(C)c1F Amb27861971 [0,1,1,0,0,0|2,0,0]=4 1893 B13R1.40 C\C(C=O)=C\c1cccc(F)c1F Amb27805588 [0,1,1,0,0,0|2,0,0]=4 1894 B13R1.40 C\C(C=O)=C\c1cccc(O)c1Cl Amb27953520 [0,1,1,0,0,0|2,0,0]=4 1895 B13R1.40 Cc1cccc(OC(=O)CO)c1Cl Amb27485706 [0,1,1,0,0,0|1,0,1]=4 1896 B13R1.40 O=C(CO)Oc1cccc(Cl)c1Cl Amb28458001 [0,1,1,0,0,0|1,0,1]=4 1897 B13R1.91 C=CC(=O)Nc1ccccc1C=C Amb27596942 [0,1,1,0,0,0|2,0,0]=4 1898 B13R1.91 CCC(=O)Oc1ccccc1C=O Amb17129203 [0,1,1,0,0,0|1,0,1]=4 1899 B13R1.91 COc1ccccc1\C=C(/C)C=O Amb17335111 [0,1,1,0,0,0|1,0,0]=3 1900 B13R1.91 COc1ccccc1\C=C(\F)C=O Amb28248169 [0,1,1,0,0,0|1,0,0]=3 1901 B13R1.91 O=Cc1ccccc1OC(=O)CCl Amb17129248 [0,1,1,0,0,0|1,0,1]=4 1902 B13R1.335 CC\C(C=O)=C/c1ccccc1C Amb17334989 [0,1,1,0,0,0|2,0,0]=4 1903 B13R1.335 CC\C(C=O)=C/c1ccccc1Cl Amb17336897 [0,1,1,0,0,0|2,0,0]=4 1904 B13R1.335 CC\C(C=O)=C/c1ccccc1F Amb17335219 [0,1,1,0,0,0|2,0,0]=4 1905 B13R1.335 CC\C(C=O)=C\c1ccccc1Br Amb27951163 [0,1,1,0,0,0|2,0,0]=4 1906 B13R1.335 CC\C(C=O)=C\c1ccccc1O Amb27841287 [0,1,1,0,0,0|1,0,0]=3 1907 B13R1.335 Cc1ccccc1C=C(C=O)C=O Amb27390174 [0,1,1,0,0,0|1,0,1]=4 1908 B13R1.335 Cc1ccccc1\C=C(/C#N)C=O Amb27776899 [0,1,1,0,0,0|2,0,0]=4 1909 B13R1.335 O=CC(C=O)=Cc1ccccc1O Amb18127566 [0,1,1,0,0,0|0,0,1]=3 1910 B13R1.470 C=CC\C(C)=C\c1ccccc1O Amb27256535 [0,1,1,0,0,0|2,0,0]=4 1911 B13R1.470 C\C=C\C(=O)Oc1ccccc1Br Amb27761278 [0,1,1,0,0,0|2,0,0]=4 1912 B13R1.470 C\C=C\C(=O)Oc1ccccc1C Amb27748839 [0,1,1,0,0,0|1,0,1]=4 1913 B13R1.470 Cc1ccccc1NC(=O)\C=N\O Amb6360526 [0,1,1,0,0,0|1,0,1]=4 1914 B13R1.470 O=C(\C=N\O)Nc1ccccc1Br Amb1223214 [0,1,1,0,0,0|2,0,0]=4 1915 B13R1.470 O=C(\C=N\O)Nc1ccccc1Cl Amb6547919 [0,1,1,0,0,0|2,0,0]=4 1916 B13R1.470 O=C(\C=N\O)Nc1ccccc1F Amb6548732 [0,1,1,0,0,0|2,0,0]=4 1917 B13R1.470 O=C(\C=N\O)Nc1ccccc1I Amb4032179 [0,1,1,0,0,0|2,0,0]=4 1918 B13R1.696 C\C(C=O)=C(\Cl)c1ccccc1F Amb25192511 [0,1,1,0,0,0|2,0,0]=4 1919 B13R1.2679 C=CC(=O)Oc1ccc(Br)cc1Br Amb27629305 [0,1,1,0,0,0|2,0,0]=4 1920 B13R1.2679 C\C(C=O)=C\c1ccc(C)cc1Cl Amb35711142 [0,1,1,0,0,0|2,0,0]=4 1921 B13R1.2679 C\C(C=O)=C\c1ccc(Cl)cc1Cl Amb27483823 [0,1,1,0,0,0|2,0,0]=4 1922 B13R1.2679 C\C(C=O)=C\c1ccc(O)cc1F Amb35688756 [0,1,1,0,0,0|2,0,0]=4 1923 B13R1.2679 Cc1ccc(OC(=O)CO)c(C)c1 Amb27485715 [0,1,1,0,0,0|0,0,2]=4 1924 B13R1.2679 O=C(CO)Oc1ccc(Br)cc1Cl Amb27829210 [0,1,1,0,0,0|1,0,1]=4 1925 B13R1.2679 O=C(CO)Oc1ccc(F)cc1Cl Amb27604013 [0,1,1,0,0,0|1,0,1]=4 1926 B13R1.2872 C\C(C=O)=C/c1cc(Br)ccc1O Amb3590889 [0,1,1,0,0,0|1,0,0]=3 1927 B13R1.2872 C\C(C=O)=C/c1cc(Cl)ccc1O Amb3465504 [0,1,1,0,0,0|1,0,0]=3 1928 B13R1.2872 C\C(C=O)=C/c1cc(F)ccc1F Amb28122344 [0,1,1,0,0,0|2,0,0]=4 1929 B13R1.2872 C\C(C=O)=C\c1cc(Cl)ccc1Br Amb28249932 [0,1,1,0,0,0|2,0,0]=4 1930 B13R1.2872 C\C(C=O)=C\c1cc(Cl)ccc1O Amb23483418 [0,1,1,0,0,0|1,0,0]=3 1931 B13R1.2872 Cc1ccc(Cl)c(OC(=O)CO)c1 Amb27749068 [0,1,1,0,0,0|1,0,1]=4 1932 B13R1.2872 Cc1ccc(I)c(OC(=O)CO)c1 Amb27394710 [0,1,1,0,0,0|1,0,1]=4 1933 B13R1.2872 N\C(C=O)=C\c1cc(Cl)ccc1O Amb18034042 [0,1,1,0,0,0|1,0,0]=3 1934 B13R1.2872 O=C\C(Cl)=C/c1cc(Cl)ccc1O Amb27263035 [0,1,1,0,0,0|1,0,0]=3 1935 B13R1.2872 O=C\C(Cl)=C\c1cc(Cl)ccc1O Amb17143680 [0,1,1,0,0,0|1,0,0]=3 1936 B13R1.4928 C\C(C=O)=C/c1c(F)cccc1Cl Amb17337353 [0,1,1,0,0,0|2,0,0]=4 1937 B13R1.4928 C\C(C=O)=C\c1c(Cl)cccc1Cl Amb28342778 [0,1,1,0,0,0|2,0,0]=4 1938 B13R1.466 CC1=CC=C(\C(C)=C/C=O)OC1=O Amb28422740 [0,1,1,0,0,0|2,0,0]=4 1939 B13R1.466 CC1=CC=C(\C(C)=C\C=O)OC1=O Amb27643664 [0,1,1,0,0,0|2,0,0]=4 1940 B13R2.32 Brc1c(I)cnc2ccccc12 Amb26908959 [1,1,0,0,0,0|2,0,0]=4 1941 B13R2.32 Brc1ccc2ccccc2c1I Amb24594397 [1,1,0,0,0,0|2,0,0]=4 1942 B13R2.32 C=C1C(=O)C=Cc2ccccc21 Amb27270865 [1,1,0,0,0,0|1,0,0]=3 1943 B13R2.32 C=C1C=Cc2ccccc2N1C Amb25918137 [1,1,0,0,0,0|2,0,0]=4 1944 B13R2.32 C=C1COc2ccccc2C1=O Amb18063792 [1,1,0,0,0,0|1,0,1]=4 1945 B13R2.32 CC1=C2C=CC=CC2=CNC1=O Amb27857230 [1,1,0,0,0,0|2,0,0]=4 1946 B13R2.32 CC1=CNc2ccccc2C1=O Amb21811680 [1,1,0,0,0,0|2,0,0]=4 1947 B13R2.32 CC1=COc2ccccc2C1=O Amb18048475 [1,1,0,0,0,0|1,0,0]=3 1948 B13R2.32 CC1=CSc2ccccc2C1=O Amb27154899 [1,1,0,0,0,0|1,1,0]=4 1949 B13R2.32 CN1C(=O)C=Cc2ccccc21 Amb19116112 [1,1,0,0,0,0|1,0,0]=3 1950 B13R2.32 CN1C(=O)C=Cc2cccnc21 Amb28365713 [1,1,0,0,0,0|2,0,0]=4 1951 B13R2.32 CN1C(=O)C=Cc2cnccc21 Amb22491898 [1,1,0,0,0,0|2,0,0]=4 1952 B13R2.32 CN1C(=O)C=Cc2ncccc21 Amb28254581 [1,1,0,0,0,0|2,0,0]=4 1953 B13R2.32 CN1C(=S)C=Cc2ccccc21 Amb19651670 [1,1,0,0,0,0|1,1,0]=4 1954 B13R2.32 C[n+]1c(I)ccc2ccccc21 Amb348184 [1,1,0,0,0,0|2,0,0]=4 1955 B13R2.32 C[n+]1c(N)ccc2ccccc21 Amb2609713 [1,1,0,0,0,0|2,0,0]=4 1956 B13R2.32 Cc1c(Br)ccc2ccccc12 Amb21929204 [1,1,0,0,0,0|2,0,0]=4 1957 B13R2.32 Cc1c(Br)cnc2ccccc12 Amb22263020 [1,1,0,0,0,0|2,0,0]=4 1958 B13R2.32 Cc1c(Cl)ccc2ccccc12 Amb26843093 [1,1,0,0,0,0|2,0,0]=4 1959 B13R2.32 Cc1c(F)ccc2ccccc12 Amb26880002 [1,1,0,0,0,0|2,0,0]=4 1960 B13R2.32 Cc1c(F)cnc2ccccc12 Amb25872717 [1,1,0,0,0,0|2,0,0]=4 1961 B13R2.32 Cc1c(I)ccc2ccccc12 Amb26367182 [1,1,0,0,0,0|2,0,0]=4 1962 B13R2.32 Cc1c(N)ccc2ccccc12 Amb17593938 [1,1,0,0,0,0|2,0,0]=4 1963 B13R2.32 Cc1c(N)cnc2ccccc12 Amb4016185 [1,1,0,0,0,0|2,0,0]=4 1964 B13R2.32 Cc1c(O)ccc2ccccc12 Amb4016608 [1,1,0,0,0,0|1,0,0]=3 1965 B13R2.32 Cc1c(O)ccc2ccncc12 Amb4013117 [1,1,0,0,0,0|2,0,0]=4 1966 B13R2.32 Cc1c(O)ccc2ncccc12 Amb18645164 [1,1,0,0,0,0|2,0,0]=4 1967 B13R2.32 Cc1c(O)ccc2ncccc12 Amb35748094 [1,1,0,0,0,0|2,0,0]=4 1968 B13R2.32 Cc1c(O)cnc2ccccc12 Amb18645166 [1,1,0,0,0,0|1,0,0]=3 1969 B13R2.32 Cc1ccc2ccccc2[n+]1C Amb17843414 [1,1,0,0,0,0|2,0,0]=4 1970 B13R2.32 Cc1ccc2ccccc2[n+]1C Amb2540178 [1,1,0,0,0,0|2,0,0]=4 1971 B13R2.32 Cc1ccc2ccccc2[n+]1C Amb4322944 [1,1,0,0,0,0|2,0,0]=4 1972 B13R2.32 Cc1ccc2ccccc2c1Br Amb3939041 [1,1,0,0,0,0|2,0,0]=4 1973 B13R2.32 Cc1ccc2ccccc2c1C Amb6297194 [1,1,0,0,0,0|2,0,0]=4 1974 B13R2.32 Cc1ccc2ccccc2c1I Amb27851450 [1,1,0,0,0,0|2,0,0]=4 1975 B13R2.32 Cc1ccc2ccccc2c1N Amb2429201 [1,1,0,0,0,0|2,0,0]=4 1976 B13R2.32 Cc1ccc2ccccc2c1N Amb6383344 [1,1,0,0,0,0|2,0,0]=4 1977 B13R2.32 Cc1ccc2ccccc2c1O Amb3939072 [1,1,0,0,0,0|2,0,0]=4 1978 B13R2.32 Cc1ccc2ccccc2c1S Amb25340394 [1,1,0,0,0,0|2,0,0]=4 1979 B13R2.32 Cc1cnc2ccccc2c1Br Amb27963907 [1,1,0,0,0,0|2,0,0]=4 1980 B13R2.32 Cc1cnc2ccccc2c1C Amb2612997 [1,1,0,0,0,0|2,0,0]=4 1981 B13R2.32 Cc1cnc2ccccc2c1Cl Amb17739750 [1,1,0,0,0,0|2,0,0]=4 1982 B13R2.32 Cc1cnc2ccccc2c1N Amb8389560 [1,1,0,0,0,0|2,0,0]=4 1983 B13R2.32 Cc1cnc2ccccc2c1O Amb18560317 [1,1,0,0,0,0|2,0,0]=4 1984 B13R2.32 Clc1c(Br)ccc2ccccc12 Amb24444356 [1,1,0,0,0,0|2,0,0]=4 1985 B13R2.32 Clc1c(Br)cnc2ccccc12 Amb8439996 [1,1,0,0,0,0|2,0,0]=4 1986 B13R2.32 Clc1c(I)ccc2ccccc12 Amb25866644 [1,1,0,0,0,0|2,0,0]=4 1987 B13R2.32 Clc1c(I)cnc2ccccc12 Amb22002439 [1,1,0,0,0,0|2,0,0]=4 1988 B13R2.32 Clc1ccc2ccccc2c1Br Amb25082370 [1,1,0,0,0,0|2,0,0]=4 1989 B13R2.32 Clc1ccc2ccccc2c1Cl Amb25189491 [1,1,0,0,0,0|2,0,0]=4 1990 B13R2.32 Clc1ccc2ccccc2c1I Amb25309391 [1,1,0,0,0,0|2,0,0]=4 1991 B13R2.32 Clc1cnc2ccccc2c1Br Amb10808171 [1,1,0,0,0,0|2,0,0]=4 1992 B13R2.32 Clc1cnc2ccccc2c1Cl Amb10241203 [1,1,0,0,0,0|2,0,0]=4 1993 B13R2.32 Cn1c(=N)ccc2ccccc21 Amb8439002 [1,1,0,0,0,0|2,0,0]=4 1994 B13R2.32 Cn1c(=O)cnc2ccccc21 Amb2612192 [1,1,0,0,0,0|2,0,0]=4 1995 B13R2.32 Fc1c(Br)ccc2ccccc12 Amb16186009 [1,1,0,0,0,0|2,0,0]=4 1996 B13R2.32 Fc1c(Br)cnc2ccccc12 Amb25751891 [1,1,0,0,0,0|2,0,0]=4 1997 B13R2.32 Fc1c(I)ccc2ccccc12 Amb22547558 [1,1,0,0,0,0|2,0,0]=4 1998 B13R2.32 Fc1ccc2ccccc2c1Br Amb25068848 [1,1,0,0,0,0|2,0,0]=4 1999 B13R2.32 Fc1ccc2ccccc2c1Cl Amb25232022 [1,1,0,0,0,0|2,0,0]=4 2000 B13R2.32 Fc1ccc2ccccc2c1I Amb28250690 [1,1,0,0,0,0|2,0,0]=4 2001 B13R2.32 Fc1cnc2ccccc2c1Br Amb22547375 [1,1,0,0,0,0|2,0,0]=4 2002 B13R2.32 Fc1cnc2ccccc2c1I Amb24099978 [1,1,0,0,0,0|2,0,0]=4 2003 B13R2.32 Ic1ccc2ccccc2c1I Amb8392015 [1,1,0,0,0,0|2,0,0]=4 2004 B13R2.32 N=C1C(=O)C=Cc2ccccc21 Amb27227038 [1,1,0,0,0,0|1,0,0]=3 2005 B13R2.32 N=C1C=Cc2ccccc2C1=O Amb27948681 [1,1,0,0,0,0|2,0,0]=4 2006 B13R2.32 N=C1COc2ccccc2C1=O Amb27186345 [1,1,0,0,0,0|1,0,1]=4 2007 B13R2.32 NC1=COc2ccccc2C1=O Amb23399677 [1,1,0,0,0,0|1,0,0]=3 2008 B13R2.32 NC1=CSc2ccccc2C1=O Amb18648055 [1,1,0,0,0,0|1,1,0]=4 2009 B13R2.32 Nc1c(Br)ccc2ccccc12 Amb17596049 [1,1,0,0,0,0|2,0,0]=4 2010 B13R2.32 Nc1c(Br)cnc2ccccc12 Amb2609668 [1,1,0,0,0,0|2,0,0]=4 2011 B13R2.32 Nc1c(Cl)ccc2ccccc12 Amb17594523 [1,1,0,0,0,0|2,0,0]=4 2012 B13R2.32 Nc1c(Cl)cnc2ccccc12 Amb10808268 [1,1,0,0,0,0|2,0,0]=4 2013 B13R2.32 Nc1c(F)ccc2ccccc12 Amb17594017 [1,1,0,0,0,0|2,0,0]=4 2014 B13R2.32 Nc1c(I)ccc2ccccc12 Amb22491989 [1,1,0,0,0,0|2,0,0]=4 2015 B13R2.32 Nc1c(I)cnc2ccccc12 Amb24463620 [1,1,0,0,0,0|2,0,0]=4 2016 B13R2.32 Nc1c(O)cc[n+]2ccccc12 Amb24309281 [1,1,0,0,0,0|2,0,0]=4 2017 B13R2.32 Nc1c(O)ccc2ccccc12 Amb1088955 [1,1,0,0,0,0|1,0,0]=3 2018 B13R2.32 Nc1c(O)ccc2ccccc12 Amb2592795 [1,1,0,0,0,0|1,0,0]=3 2019 B13R2.32 Nc1c(O)ccc2cccnc12 Amb23440835 [1,1,0,0,0,0|2,0,0]=4 2020 B13R2.32 Nc1c(O)ccc2cccnc12 Amb35748746 [1,1,0,0,0,0|2,0,0]=4 2021 B13R2.32 Nc1c(O)ccc2ccncc12 Amb18830216 [1,1,0,0,0,0|2,0,0]=4 2022 B13R2.32 Nc1c(O)ccc2ccncc12 Amb35747930 [1,1,0,0,0,0|2,0,0]=4 2023 B13R2.32 Nc1c(O)ccc2ccncc12 Amb35748102 [1,1,0,0,0,0|2,0,0]=4 2024 B13R2.32 Nc1c(O)ccc2cnccc12 Amb24071034 [1,1,0,0,0,0|2,0,0]=4 2025 B13R2.32 Nc1c(O)ccc2ncccc12 Amb9676621 [1,1,0,0,0,0|2,0,0]=4 2026 B13R2.32 Nc1c(O)ncc2ccccc12 Amb25249568 [1,1,0,0,0,0|2,0,0]=4 2027 B13R2.32 Nc1c(P)ccc2ccccc12 Amb28186928 [1,1,0,0,0,0|2,0,0]=4 2028 B13R2.32 Nc1c(S)ccc2ccccc12 Amb17594453 [1,1,0,0,0,0|1,1,0]=4 2029 B13R2.32 Nc1ccc2ccccc2c1Br Amb19374680 [1,1,0,0,0,0|2,0,0]=4 2030 B13R2.32 Nc1ccc2ccccc2c1Br Amb4012961 [1,1,0,0,0,0|2,0,0]=4 2031 B13R2.32 Nc1ccc2ccccc2c1Cl Amb4006312 [1,1,0,0,0,0|2,0,0]=4 2032 B13R2.32 Nc1ccc2ccccc2c1F Amb22497545 [1,1,0,0,0,0|2,0,0]=4 2033 B13R2.32 Nc1ccc2ccccc2c1I Amb27407346 [1,1,0,0,0,0|2,0,0]=4 2034 B13R2.32 Nc1ccc2ccccc2c1N Amb16191900 [1,1,0,0,0,0|2,0,0]=4 2035 B13R2.32 Nc1ccc2ccccc2c1O Amb17593980 [1,1,0,0,0,0|2,0,0]=4 2036 B13R2.32 Nc1ccc2ccccc2c1O Amb19930160 [1,1,0,0,0,0|2,0,0]=4 2037 B13R2.32 Nc1ccc2ccccc2c1S Amb18647914 [1,1,0,0,0,0|2,0,0]=4 2038 B13R2.32 Nc1cnc2ccccc2c1Br Amb33548927 [1,1,0,0,0,0|2,0,0]=4 2039 B13R2.32 Nc1cnc2ccccc2c1Cl Amb18128300 [1,1,0,0,0,0|2,0,0]=4 2040 B13R2.32 Nc1cnc2ccccc2c1F Amb33035705 [1,1,0,0,0,0|2,0,0]=4 2041 B13R2.32 Nc1cnc2ccccc2c1N Amb2695557 [1,1,0,0,0,0|2,0,0]=4 2042 B13R2.32 Nc1cnc2ccccc2c1O Amb23402467 [1,1,0,0,0,0|2,0,0]=4 2043 B13R2.32 Nc1cnc2ccccc2c1S Amb8439780 [1,1,0,0,0,0|2,0,0]=4 2044 B13R2.32 O=C1C(Br)=COc2ccccc21 Amb19664799 [1,1,0,0,0,0|1,0,0]=3 2045 B13R2.32 O=C1C(Br)=CSc2ccccc21 Amb21859134 [1,1,0,0,0,0|1,1,0]=4 2046 B13R2.32 O=C1C(Cl)=COc2ccccc21 Amb27492891 [1,1,0,0,0,0|1,0,0]=3 2047 B13R2.32 O=C1C(I)=COc2ccccc21 Amb19887490 [1,1,0,0,0,0|1,0,0]=3 2048 B13R2.32 O=C1C(O)=CSc2ccccc21 Amb20252018 [1,1,0,0,0,0|0,1,0]=3 2049 B13R2.32 O=C1C=Cc2ccccc2C1=O Amb534349 [1,1,0,0,0,0|1,0,0]=3 2050 B13R2.32 O=C1C=Cc2ccccc2C1=S Amb27177701 [1,1,0,0,0,0|1,0,0]=3 2051 B13R2.32 O=C1C=Cc2ccccc2N1O Amb22723451 [1,1,0,0,0,0|1,0,0]=3 2052 B13R2.32 O=C1N=Cc2ccccc2N1O Amb28248668 [1,1,0,0,0,0|2,0,0]=4 2053 B13R2.32 O=C1NC=C2C=CC=CC2=C1F Amb25269874 [1,1,0,0,0,0|2,0,0]=4 2054 B13R2.32 O=C1c2ccccc2OCC1O Amb26593098 [1,1,0,0,0,0|0,0,2]=4 2055 B13R2.32 O=c1c2ccccc2ncn1O Amb2795808 [1,1,0,0,0,0|2,0,0]=4 2056 B13R2.32 OC1C(=S)C=Cc2ccccc21 Amb26035492 [1,1,0,0,0,0|1,1,0]=4 2057 B13R2.32 Oc1c(Br)ccc2ccccc12 Amb8394123 [1,1,0,0,0,0|2,0,0]=4 2058 B13R2.32 Oc1c(Br)cnc2ccccc12 Amb2610838 [1,1,0,0,0,0|2,0,0]=4 2059 B13R2.32 Oc1c(Cl)ccc2ccccc12 Amb17594568 [1,1,0,0,0,0|2,0,0]=4 2060 B13R2.32 Oc1c(Cl)cnc2ccccc12 Amb10241101 [1,1,0,0,0,0|2,0,0]=4 2061 B13R2.32 Oc1c(F)ccc2ccccc12 Amb18645623 [1,1,0,0,0,0|2,0,0]=4 2062 B13R2.32 Oc1c(F)cnc2ccccc12 Amb24650731 [1,1,0,0,0,0|2,0,0]=4 2063 B13R2.32 Oc1c(I)ccc2ccccc12 Amb26478044 [1,1,0,0,0,0|2,0,0]=4 2064 B13R2.32 Oc1c(I)cnc2ccccc12 Amb22491992 [1,1,0,0,0,0|2,0,0]=4 2065 B13R2.32 Oc1ccc2ccccc2c1Br Amb6399651 [1,1,0,0,0,0|1,0,0]=3 2066 B13R2.32 Oc1ccc2ccccc2c1Cl Amb17594574 [1,1,0,0,0,0|1,0,0]=3 2067 B13R2.32 Oc1ccc2ccccc2c1F Amb18645624 [1,1,0,0,0,0|1,0,0]=3 2068 B13R2.32 Oc1ccc2ccccc2c1I Amb2782872 [1,1,0,0,0,0|1,0,0]=3 2069 B13R2.32 Oc1ccc2ccccc2c1O Amb18054059 [1,1,0,0,0,0|1,0,0]=3 2070 B13R2.32 Oc1ccc2ccccc2c1S Amb20093303 [1,1,0,0,0,0|1,0,0]=3 2071 B13R2.32 Oc1ccc2cccnc2c1Br Amb21864974 [1,1,0,0,0,0|2,0,0]=4 2072 B13R2.32 Oc1ccc2cccnc2c1Br Amb28719639 [1,1,0,0,0,0|2,0,0]=4 2073 B13R2.32 Oc1ccc2cccnc2c1Cl Amb23437336 [1,1,0,0,0,0|2,0,0]=4 2074 B13R2.32 Oc1ccc2cccnc2c1F Amb23437338 [1,1,0,0,0,0|2,0,0]=4 2075 B13R2.32 Oc1ccc2cccnc2c1I Amb23437337 [1,1,0,0,0,0|2,0,0]=4 2076 B13R2.32 Oc1ccc2ccncc2c1Br Amb23441146 [1,1,0,0,0,0|2,0,0]=4 2077 B13R2.32 Oc1ccc2ccncc2c1Cl Amb17594597 [1,1,0,0,0,0|2,0,0]=4 2078 B13R2.32 Oc1ccc2ccncc2c1O Amb27460768 [1,1,0,0,0,0|2,0,0]=4 2079 B13R2.32 Oc1ccc2ncccc2c1Br Amb18658841 [1,1,0,0,0,0|2,0,0]=4 2080 B13R2.32 Oc1ccc2ncccc2c1Br Amb33803387 [1,1,0,0,0,0|2,0,0]=4 2081 B13R2.32 Oc1ccc2ncccc2c1Cl Amb22757138 [1,1,0,0,0,0|2,0,0]=4 2082 B13R2.32 Oc1ccc2ncccc2c1F Amb22728877 [1,1,0,0,0,0|2,0,0]=4 2083 B13R2.32 Oc1ccc2ncccc2c1I Amb23437325 [1,1,0,0,0,0|2,0,0]=4 2084 B13R2.32 Oc1ccc2ncccc2c1O Amb27442475 [1,1,0,0,0,0|2,0,0]=4 2085 B13R2.32 Oc1ccc2ncccc2c1O Amb33802648 [1,1,0,0,0,0|2,0,0]=4 2086 B13R2.32 Oc1cnc2ccccc2c1Br Amb8438944 [1,1,0,0,0,0|1,0,0]=3 2087 B13R2.32 Oc1cnc2ccccc2c1Cl Amb18648301 [1,1,0,0,0,0|1,0,0]=3 2088 B13R2.32 Oc1cnc2ccccc2c1Cl Amb32653571 [1,1,0,0,0,0|1,0,0]=3 2089 B13R2.32 Oc1cnc2ccccc2c1F Amb27592408 [1,1,0,0,0,0|1,0,0]=3 2090 B13R2.32 Oc1cnc2ccccc2c1I Amb22752326 [1,1,0,0,0,0|1,0,0]=3 2091 B13R2.32 Oc1cnc2ccccc2c1O Amb5718045 [1,1,0,0,0,0|1,0,0]=3 2092 B13R2.32 Oc1cnc2ccccc2c1S Amb18127892 [1,1,0,0,0,0|1,0,0]=3 2093 B13R2.32 Oc1cnc2cccnc2c1I Amb13890076 [1,1,0,0,0,0|2,0,0]=4 2094 B13R2.32 S=C1C(S)=CNc2ccccc21 Amb27209576 [1,1,0,0,0,0|1,1,0]=4 2095 B13R2.32 [NH3+]c1c(O)ccc2ccccc12 Amb22489532 [1,1,0,0,0,0|1,0,0]=3 2096 B13R2.32 [NH3+]c1c([O-])ccc2ccccc12 Amb4268650 [1,1,0,0,0,0|1,0,1]=4 2097 B13R2.32 [O-][n+]1c(Cl)ccc2ccccc21 Amb27439580 [1,1,0,0,0,0|2,0,0]=4 2098 B13R2.32 [O-][n+]1c(S)ccc2ccccc21 Amb27438214 [1,1,0,0,0,0|1,1,0]=4 2099 B13R2.57 BrCc1ccc2ccccc2c1 Amb2609043 [1,1,0,0,0,0|2,0,0]=4 2100 B13R2.57 BrCc1ccc2ccccc2n1 Amb21857522 [1,1,0,0,0,0|2,0,0]=4 2101 B13R2.57 BrCc1ccc2ccccc2n1 Amb8397282 [1,1,0,0,0,0|2,0,0]=4 2102 B13R2.57 BrCc1cnc2ccccc2c1 Amb24061934 [1,1,0,0,0,0|2,0,0]=4 2103 B13R2.57 BrCc1cnc2ccccc2c1 Amb32652350 [1,1,0,0,0,0|2,0,0]=4 2104 B13R2.57 C#Cc1ccc2ccccc2c1 Amb10071054 [1,1,0,0,0,0|2,0,0]=4 2105 B13R2.57 C#Cc1ccc2ccccc2n1 Amb22490538 [1,1,0,0,0,0|2,0,0]=4 2106 B13R2.57 C#Cc1cnc2ccccc2c1 Amb776988 [1,1,0,0,0,0|2,0,0]=4 2107 B13R2.57 C=Cc1ccc2ccccc2c1 Amb8394029 [1,1,0,0,0,0|2,0,0]=4 2108 B13R2.57 C=Cc1ccc2ccccc2n1 Amb10071967 [1,1,0,0,0,0|2,0,0]=4 2109 B13R2.57 C=Cc1cnc2ccccc2c1 Amb8394032 [1,1,0,0,0,0|2,0,0]=4 2110 B13R2.57 CCc1ccc2ccccc2c1 Amb6298320 [1,1,0,0,0,0|2,0,0]=4 2111 B13R2.57 CCc1ccc2ccccc2n1 Amb20667571 [1,1,0,0,0,0|2,0,0]=4 2112 B13R2.57 CCc1cnc2ccccc2c1 Amb15691863 [1,1,0,0,0,0|2,0,0]=4 2113 B13R2.57 CNc1ccc2ccccc2c1 Amb415893 [1,1,0,0,0,0|2,0,0]=4 2114 B13R2.57 CNc1ccc2ccccc2n1 Amb6627062 [1,1,0,0,0,0|2,0,0]=4 2115 B13R2.57 CNc1cnc2ccccc2c1 Amb18948972 [1,1,0,0,0,0|2,0,0]=4 2116 B13R2.57 COC1=Nc2ccccc2OC1 Amb33218462 [1,1,0,0,0,0|1,0,1]=4 2117 B13R2.57 COc1cc2ccccc2cn1 Amb25861237 [1,1,0,0,0,0|2,0,0]=4 2118 B13R2.57 COc1ccc2ccccc2c1 Amb2610832 [1,1,0,0,0,0|1,0,0]=3 2119 B13R2.57 COc1ccc2ccccc2n1 Amb20171196 [1,1,0,0,0,0|1,0,1]=4 2120 B13R2.57 COc1ccc2cccnc2c1 Amb17617089 [1,1,0,0,0,0|2,0,0]=4 2121 B13R2.57 COc1ccc2cccnc2c1 Amb24183299 [1,1,0,0,0,0|2,0,0]=4 2122 B13R2.57 COc1ccc2ccncc2c1 Amb10610318 [1,1,0,0,0,0|2,0,0]=4 2123 B13R2.57 COc1ccc2ccncc2c1 Amb5638098 [1,1,0,0,0,0|2,0,0]=4 2124 B13R2.57 COc1ccc2cnccc2c1 Amb10071944 [1,1,0,0,0,0|2,0,0]=4 2125 B13R2.57 COc1ccc2cnccc2c1 Amb22236031 [1,1,0,0,0,0|2,0,0]=4 2126 B13R2.57 COc1ccc2ncccc2c1 Amb1156981 [1,1,0,0,0,0|2,0,0]=4 2127 B13R2.57 COc1cnc2ccccc2c1 Amb19957896 [1,1,0,0,0,0|1,0,0]=3 2128 B13R2.57 COc1cnc2cccnc2c1 Amb21959422 [1,1,0,0,0,0|2,0,0]=4 2129 B13R2.57 CSc1ccc2ccccc2c1 Amb2609071 [1,1,0,0,0,0|1,1,0]=4 2130 B13R2.57 CSc1ccc2ccccc2n1 Amb6477854 [1,1,0,0,0,0|1,1,0]=4 2131 B13R2.57 ClCC1=CCc2ccccc2O1 Amb27642028 [1,1,0,0,0,0|1,0,1]=4 2132 B13R2.57 ClCC1=Cc2ccccc2OC1 Amb24470057 [1,1,0,0,0,0|1,0,1]=4 2133 B13R2.57 ClCC1C=Cc2ccccc2O1 Amb27603401 [1,1,0,0,0,0|1,0,1]=4 2134 B13R2.57 ClCc1c[nH+]c2ccccc2c1 Amb31273163 [1,1,0,0,0,0|2,0,0]=4 2135 B13R2.57 ClCc1ccc2ccccc2[nH+]1 Amb24113853 [1,1,0,0,0,0|2,0,0]=4 2136 B13R2.57 ClCc1ccc2ccccc2c1 Amb2796492 [1,1,0,0,0,0|2,0,0]=4 2137 B13R2.57 ClCc1ccc2ccccc2n1 Amb6892745 [1,1,0,0,0,0|2,0,0]=4 2138 B13R2.57 ClCc1cnc2ccccc2c1 Amb19375278 [1,1,0,0,0,0|2,0,0]=4 2139 B13R2.57 FCc1ccc2ccccc2c1 Amb28139672 [1,1,0,0,0,0|2,0,0]=4 2140 B13R2.57 ICc1ccc2ccccc2n1 Amb28141827 [1,1,0,0,0,0|2,0,0]=4 2141 B13R2.57 N#CC1=COc2ccccc2O1 Amb27416465 [1,1,0,0,0,0|2,0,0]=4 2142 B13R2.57 N#CC1=Cc2ccccc2OC1 Amb1106140 [1,1,0,0,0,0|1,0,1]=4 2143 B13R2.57 N#Cc1ccc2ccccc2c1 Amb4009131 [1,1,0,0,0,0|2,0,0]=4 2144 B13R2.57 N#Cc1ccc2ccccc2n1 Amb1063463 [1,1,0,0,0,0|2,0,0]=4 2145 B13R2.57 N#Cc1cnc2ccccc2c1 Amb2390028 [1,1,0,0,0,0|2,0,0]=4 2146 B13R2.57 N=Cc1ccc2ccccc2n1 Amb27642853 [1,1,0,0,0,0|2,0,0]=4 2147 B13R2.57 NCC1=COc2ccccc2O1 Amb18645814 [1,1,0,0,0,0|2,0,0]=4 2148 B13R2.57 NCC1=Cc2ccccc2OC1 Amb22642376 [1,1,0,0,0,0|1,0,1]=4 2149 B13R2.57 NCc1ccc2ccccc2c1 Amb1120053 [1,1,0,0,0,0|2,0,0]=4 2150 B13R2.57 NCc1ccc2ccccc2c1 Amb19957972 [1,1,0,0,0,0|2,0,0]=4 2151 B13R2.57 NCc1ccc2ccccc2c1 Amb7969859 [1,1,0,0,0,0|2,0,0]=4 2152 B13R2.57 NCc1ccc2ccccc2n1 Amb1139476 [1,1,0,0,0,0|2,0,0]=4 2153 B13R2.57 NCc1ccc2ccccc2n1 Amb15695438 [1,1,0,0,0,0|2,0,0]=4 2154 B13R2.57 NCc1ccc2ccccc2n1 Amb7990033 [1,1,0,0,0,0|2,0,0]=4 2155 B13R2.57 NCc1cnc2ccccc2c1 Amb10576326 [1,1,0,0,0,0|2,0,0]=4 2156 B13R2.57 NCc1cnc2ccccc2c1 Amb17622269 [1,1,0,0,0,0|2,0,0]=4 2157 B13R2.57 NCc1cnc2ccccc2c1 Amb33527281 [1,1,0,0,0,0|2,0,0]=4 2158 B13R2.57 NCc1cnc2ccccc2c1 Amb33545553 [1,1,0,0,0,0|2,0,0]=4 2159 B13R2.57 NNc1ccc2ccccc2c1 Amb1772358 [1,1,0,0,0,0|2,0,0]=4 2160 B13R2.57 NNc1ccc2ccccc2c1 Amb6296513 [1,1,0,0,0,0|2,0,0]=4 2161 B13R2.57 NNc1ccc2ccccc2n1 Amb1105542 [1,1,0,0,0,0|2,0,0]=4 2162 B13R2.57 NNc1cnc2ccccc2c1 Amb18645202 [1,1,0,0,0,0|2,0,0]=4 2163 B13R2.57 NNc1cnc2ccccc2c1 Amb28984102 [1,1,0,0,0,0|2,0,0]=4 2164 B13R2.57 NOc1ccc2ncccc2c1 Amb24397483 [1,1,0,0,0,0|2,0,0]=4 2165 B13R2.57 O=CC1=CNc2ccccc2C1 Amb25152519 [1,1,0,0,0,0|2,0,0]=4 2166 B13R2.57 O=CC1=COc2ccccc2O1 Amb25348637 [1,1,0,0,0,0|1,0,0]=3 2167 B13R2.57 O=CC1=CSc2ccccc2S1 Amb28239532 [1,1,0,0,0,0|1,1,0]=4 2168 B13R2.57 O=CC1=Cc2ccccc2OC1 Amb1158025 [1,1,0,0,0,0|0,0,2]=4 2169 B13R2.57 O=Cc1cc2ccccc2cn1 Amb8010573 [1,1,0,0,0,0|2,0,0]=4 2170 B13R2.57 O=Cc1ccc2ccccc2c1 Amb3939951 [1,1,0,0,0,0|1,0,0]=3 2171 B13R2.57 O=Cc1ccc2ccccc2n1 Amb533663 [1,1,0,0,0,0|1,0,0]=3 2172 B13R2.57 O=Cc1ccc2cccnc2c1 Amb2548373 [1,1,0,0,0,0|2,0,0]=4 2173 B13R2.57 O=Cc1ccc2cccnc2n1 Amb1323330 [1,1,0,0,0,0|2,0,0]=4 2174 B13R2.57 O=Cc1ccc2ccncc2c1 Amb8010572 [1,1,0,0,0,0|2,0,0]=4 2175 B13R2.57 O=Cc1ccc2ccncc2n1 Amb22498133 [1,1,0,0,0,0|2,0,0]=4 2176 B13R2.57 O=Cc1ccc2cnccc2c1 Amb8010571 [1,1,0,0,0,0|2,0,0]=4 2177 B13R2.57 O=Cc1ccc2cnccc2n1 Amb3931332 [1,1,0,0,0,0|2,0,0]=4 2178 B13R2.57 O=Cc1ccc2ncccc2c1 Amb1266161 [1,1,0,0,0,0|2,0,0]=4 2179 B13R2.57 O=Cc1ccc2ncccc2n1 Amb25292132 [1,1,0,0,0,0|2,0,0]=4 2180 B13R2.57 O=Cc1cnc2ccccc2c1 Amb1995106 [1,1,0,0,0,0|1,0,1]=4 2181 B13R2.57 O=Cc1cnc2ccccc2n1 Amb6315572 [1,1,0,0,0,0|2,0,0]=4 2182 B13R2.57 O=Nc1ccc2ccccc2c1 Amb27170669 [1,1,0,0,0,0|1,0,0]=3 2183 B13R2.57 OCC1=CNc2ccccc2N1 Amb24309070 [1,1,0,0,0,0|2,0,0]=4 2184 B13R2.57 OCC1=Cc2ccccc2OC1 Amb2723365 [1,1,0,0,0,0|0,0,1]=3 2185 B13R2.57 OCC1=Cc2ccccc2SS1 Amb27589744 [1,1,0,0,0,0|1,1,0]=4 2186 B13R2.57 OCC1C=Cc2ccccc2O1 Amb27416664 [1,1,0,0,0,0|0,0,2]=4 2187 B13R2.57 OCc1cc2ccccc2cn1 Amb8439028 [1,1,0,0,0,0|2,0,0]=4 2188 B13R2.57 OCc1ccc2ccccc2c1 Amb2389960 [1,1,0,0,0,0|1,0,0]=3 2189 B13R2.57 OCc1ccc2ccccc2n1 Amb1154605 [1,1,0,0,0,0|1,0,1]=4 2190 B13R2.57 OCc1ccc2cccnc2c1 Amb19105058 [1,1,0,0,0,0|2,0,0]=4 2191 B13R2.57 OCc1ccc2ccncc2c1 Amb19104916 [1,1,0,0,0,0|2,0,0]=4 2192 B13R2.57 OCc1ccc2cnccc2c1 Amb10070398 [1,1,0,0,0,0|2,0,0]=4 2193 B13R2.57 OCc1ccc2ncccc2c1 Amb1995120 [1,1,0,0,0,0|2,0,0]=4 2194 B13R2.57 OCc1cnc2ccccc2c1 Amb1995109 [1,1,0,0,0,0|1,0,0]=3 2195 B13R2.57 OCc1cnc2ccccc2c1 Amb20668047 [1,1,0,0,0,0|1,0,0]=3 2196 B13R2.57 OCc1cnc2ccccc2n1 Amb33532423 [1,1,0,0,0,0|2,0,0]=4 2197 B13R2.57 OCc1cnc2cccnc2c1 Amb21959456 [1,1,0,0,0,0|2,0,0]=4 2198 B13R2.57 OCc1cnc2ncccc2c1 Amb25068002 [1,1,0,0,0,0|2,0,0]=4 2199 B13R2.57 O\N=C1/COc2ccccc2N1 Amb27174281 [1,1,0,0,0,0|1,0,1]=4 2200 B13R2.57 O\N=C1\COc2ccccc2C1 Amb28313271 [1,1,0,0,0,0|0,0,2]=4 2201 B13R2.57 SCc1ccc2ccccc2c1 Amb21943705 [1,1,0,0,0,0|1,1,0]=4 2202 B13R2.57 SCc1ccc2ccccc2n1 Amb28200238 [1,1,0,0,0,0|1,1,0]=4 2203 B13R2.57 SCc1cnc2ccccc2c1 Amb25083301 [1,1,0,0,0,0|1,1,0]=4 2204 B13R2.57 [C-]#[N+]c1ccc2ccccc2c1 Amb22348022 [1,1,0,0,0,0|2,0,0]=4 2205 B13R2.57 [C-]#[N+]c1ccc2ccccc2n1 Amb33200400 [1,1,0,0,0,0|2,0,0]=4 2206 B13R2.57 [C-]#[N+]c1cnc2ccccc2c1 Amb25320374 [1,1,0,0,0,0|2,0,0]=4 2207 B13R2.155 Brc1ccc2ccc(Br)cc2c1 Amb2609443 [1,1,0,0,0,0|2,0,0]=4 2208 B13R2.155 Brc1ccc2ccc(Br)nc2c1 Amb22000956 [1,1,0,0,0,0|2,0,0]=4 2209 B13R2.155 Brc1ccc2ccc(I)cc2c1 Amb24758917 [1,1,0,0,0,0|2,0,0]=4 2210 B13R2.155 Brc1ccc2ccc(I)nc2c1 Amb25217538 [1,1,0,0,0,0|2,0,0]=4 2211 B13R2.155 Brc1ccc2ncc(Br)cc2c1 Amb21964475 [1,1,0,0,0,0|2,0,0]=4 2212 B13R2.155 Brc1ccc2ncc(I)cc2c1 Amb24179183 [1,1,0,0,0,0|2,0,0]=4 2213 B13R2.155 Brc1cnc2ccc(I)cc2c1 Amb15693012 [1,1,0,0,0,0|2,0,0]=4 2214 B13R2.155 CC1=CC2=CC(=O)NC=C2C=C1 Amb22371048 [1,1,0,0,0,0|2,0,0]=4 2215 B13R2.155 CC1C=Cc2ccc(O)cc2O1 Amb6840059 [1,1,0,0,0,0|1,0,1]=4 2216 B13R2.155 Cc1cc2c(cn1)C=CC(=O)N2 Amb27790702 [1,1,0,0,0,0|2,0,0]=4 2217 B13R2.155 Cc1ccc2c(c1)NC(=O)C=C2 Amb21857833 [1,1,0,0,0,0|1,0,0]=3 2218 B13R2.155 Cc1ccc2c(c1)NC(=O)N=C2 Amb24468183 [1,1,0,0,0,0|2,0,0]=4 2219 B13R2.155 Cc1ccc2c(c1)OC(=O)C=C2 Amb18511476 [1,1,0,0,0,0|0,0,0]=2 2220 B13R2.155 Cc1ccc2c(c1)OC(=O)CC2 Amb27975901 [1,1,0,0,0,0|0,0,2]=4 2221 B13R2.155 Cc1ccc2c(c1)OC(=O)NC2 Amb27967408 [1,1,0,0,0,0|1,0,1]=4 2222 B13R2.155 Cc1ccc2c(c1)OC(=O)OC2 Amb27861046 [1,1,0,0,0,0|1,0,1]=4 2223 B13R2.155 Cc1ccc2ccc(Br)cc2c1 Amb21864772 [1,1,0,0,0,0|2,0,0]=4 2224 B13R2.155 Cc1ccc2ccc(Br)cc2n1 Amb1994793 [1,1,0,0,0,0|2,0,0]=4 2225 B13R2.155 Cc1ccc2ccc(C)cc2c1 Amb2687557 [1,1,0,0,0,0|2,0,0]=4 2226 B13R2.155 Cc1ccc2ccc(C)nc2c1 Amb22002033 [1,1,0,0,0,0|2,0,0]=4 2227 B13R2.155 Cc1ccc2ccc(Cl)cc2c1 Amb24626109 [1,1,0,0,0,0|2,0,0]=4 2228 B13R2.155 Cc1ccc2ccc(Cl)cc2n1 Amb2371819 [1,1,0,0,0,0|2,0,0]=4 2229 B13R2.155 Cc1ccc2ccc(Cl)nc2c1 Amb22007944 [1,1,0,0,0,0|2,0,0]=4 2230 B13R2.155 Cc1ccc2ccc(F)cc2c1 Amb24429006 [1,1,0,0,0,0|2,0,0]=4 2231 B13R2.155 Cc1ccc2ccc(F)cc2n1 Amb2688237 [1,1,0,0,0,0|2,0,0]=4 2232 B13R2.155 Cc1ccc2ccc(I)cc2n1 Amb26576362 [1,1,0,0,0,0|2,0,0]=4 2233 B13R2.155 Cc1ccc2ccc(N)cc2c1 Amb24707712 [1,1,0,0,0,0|2,0,0]=4 2234 B13R2.155 Cc1ccc2ccc(N)nc2c1 Amb25982717 [1,1,0,0,0,0|2,0,0]=4 2235 B13R2.155 Cc1ccc2ccc(O)cc2c1 Amb18645051 [1,1,0,0,0,0|1,0,0]=3 2236 B13R2.155 Cc1ccc2ccc(O)cc2n1 Amb18353419 [1,1,0,0,0,0|2,0,0]=4 2237 B13R2.155 Cc1ccc2ccc(S)nc2c1 Amb23536151 [1,1,0,0,0,0|1,1,0]=4 2238 B13R2.155 Cc1ccc2ncc(Br)cc2c1 Amb24054480 [1,1,0,0,0,0|2,0,0]=4 2239 B13R2.155 Cc1ccc2ncc(C)cc2c1 Amb17334418 [1,1,0,0,0,0|2,0,0]=4 2240 B13R2.155 Cc1ccc2ncc(F)cc2c1 Amb28244382 [1,1,0,0,0,0|2,0,0]=4 2241 B13R2.155 Cc1ccc2ncc(N)cc2c1 Amb17157131 [1,1,0,0,0,0|2,0,0]=4 2242 B13R2.155 Cc1ccc2ncc(O)cc2c1 Amb8506040 [1,1,0,0,0,0|1,0,0]=3 2243 B13R2.155 Cc1cnc2c(c1)NC(=O)C=C2 Amb24556512 [1,1,0,0,0,0|2,0,0]=4 2244 B13R2.155 Cc1cnc2ccc(Br)cc2c1 Amb1994327 [1,1,0,0,0,0|2,0,0]=4 2245 B13R2.155 Cc1cnc2ccc(N)cc2c1 Amb26609461 [1,1,0,0,0,0|2,0,0]=4 2246 B13R2.155 Cc1cnc2ccc(O)cc2c1 Amb25204459 [1,1,0,0,0,0|2,0,0]=4 2247 B13R2.155 Clc1ccc2ccc(Br)cc2c1 Amb28241023 [1,1,0,0,0,0|2,0,0]=4 2248 B13R2.155 Clc1ccc2ccc(Br)cc2n1 Amb1994309 [1,1,0,0,0,0|2,0,0]=4 2249 B13R2.155 Clc1ccc2ccc(Cl)cc2c1 Amb6298113 [1,1,0,0,0,0|2,0,0]=4 2250 B13R2.155 Clc1ccc2ccc(Cl)nc2c1 Amb20239455 [1,1,0,0,0,0|2,0,0]=4 2251 B13R2.155 Clc1ccc2ccc(I)cc2c1 Amb25790503 [1,1,0,0,0,0|2,0,0]=4 2252 B13R2.155 Clc1ccc2ncc(Br)cc2c1 Amb22899265 [1,1,0,0,0,0|2,0,0]=4 2253 B13R2.155 Clc1ccc2ncc(I)cc2c1 Amb28135713 [1,1,0,0,0,0|2,0,0]=4 2254 B13R2.155 Clc1cnc2ccc(Br)cc2c1 Amb22751168 [1,1,0,0,0,0|2,0,0]=4 2255 B13R2.155 Fc1ccc2ccc(Br)cc2c1 Amb25365032 [1,1,0,0,0,0|2,0,0]=4 2256 B13R2.155 Fc1ccc2ccc(Br)nc2c1 Amb23401192 [1,1,0,0,0,0|2,0,0]=4 2257 B13R2.155 Fc1ccc2ccc(Cl)cc2c1 Amb27862466 [1,1,0,0,0,0|2,0,0]=4 2258 B13R2.155 Fc1ccc2ccc(Cl)cc2n1 Amb27965778 [1,1,0,0,0,0|2,0,0]=4 2259 B13R2.155 Fc1ccc2ccc(Cl)nc2c1 Amb19148834 [1,1,0,0,0,0|2,0,0]=4 2260 B13R2.155 Fc1ccc2ccc(F)cc2c1 Amb25347384 [1,1,0,0,0,0|2,0,0]=4 2261 B13R2.155 Fc1ccc2ccc(I)cc2c1 Amb24483667 [1,1,0,0,0,0|2,0,0]=4 2262 B13R2.155 Fc1ccc2ccc(S)nc2c1 Amb26491962 [1,1,0,0,0,0|1,1,0]=4 2263 B13R2.155 Fc1ccc2ncc(Br)cc2c1 Amb22899327 [1,1,0,0,0,0|2,0,0]=4 2264 B13R2.155 Fc1ccc2ncc(Cl)cc2c1 Amb27218236 [1,1,0,0,0,0|2,0,0]=4 2265 B13R2.155 Fc1ccc2ncc(F)cc2c1 Amb25793547 [1,1,0,0,0,0|2,0,0]=4 2266 B13R2.155 Fc1ccc2ncc(I)cc2c1 Amb25739549 [1,1,0,0,0,0|2,0,0]=4 2267 B13R2.155 Fc1cnc2ccc(Br)cc2c1 Amb22899328 [1,1,0,0,0,0|2,0,0]=4 2268 B13R2.155 Fc1cnc2ccc(Cl)cc2c1 Amb24553217 [1,1,0,0,0,0|2,0,0]=4 2269 B13R2.155 Fc1cnc2ccc(I)cc2c1 Amb26374202 [1,1,0,0,0,0|2,0,0]=4 2270 B13R2.155 Ic1ccc2ccc(I)cc2c1 Amb27152994 [1,1,0,0,0,0|2,0,0]=4 2271 B13R2.155 NC1=CC=C2C=CC(=O)N=C2N1 Amb22386908 [1,1,0,0,0,0|2,0,0]=4 2272 B13R2.155 Nc1cc2c(cn1)C=CC(=O)N2 Amb24400239 [1,1,0,0,0,0|2,0,0]=4 2273 B13R2.155 Nc1cc2cc(O)ccc2cn1 Amb25915246 [1,1,0,0,0,0|2,0,0]=4 2274 B13R2.155 Nc1ccc2c(c1)N=C(O)CO2 Amb17914492 [1,1,0,0,0,0|1,0,1]=4 2275 B13R2.155 Nc1ccc2c(c1)NC(=O)C=C2 Amb18545106 [1,1,0,0,0,0|1,0,0]=3 2276 B13R2.155 Nc1ccc2c(c1)NC(=O)C=N2 Amb19789097 [1,1,0,0,0,0|2,0,0]=4 2277 B13R2.155 Nc1ccc2c(c1)OC(=O)C=C2 Amb19130409 [1,1,0,0,0,0|0,0,0]=2 2278 B13R2.155 Nc1ccc2c(n1)NC(=O)C=C2 Amb19516712 [1,1,0,0,0,0|2,0,0]=4 2279 B13R2.155 Nc1ccc2ccc(Br)cc2c1 Amb17596044 [1,1,0,0,0,0|2,0,0]=4 2280 B13R2.155 Nc1ccc2ccc(Br)cc2c1 Amb35751800 [1,1,0,0,0,0|2,0,0]=4 2281 B13R2.155 Nc1ccc2ccc(Br)cc2n1 Amb16234051 [1,1,0,0,0,0|2,0,0]=4 2282 B13R2.155 Nc1ccc2ccc(Cl)cc2c1 Amb17594515 [1,1,0,0,0,0|2,0,0]=4 2283 B13R2.155 Nc1ccc2ccc(Cl)cc2n1 Amb18648193 [1,1,0,0,0,0|2,0,0]=4 2284 B13R2.155 Nc1ccc2ccc(F)cc2c1 Amb26879895 [1,1,0,0,0,0|2,0,0]=4 2285 B13R2.155 Nc1ccc2ccc(F)cc2n1 Amb25121338 [1,1,0,0,0,0|2,0,0]=4 2286 B13R2.155 Nc1ccc2ccc(N)cc2c1 Amb2613342 [1,1,0,0,0,0|2,0,0]=4 2287 B13R2.155 Nc1ccc2ccc(N)nc2c1 Amb18645199 [1,1,0,0,0,0|2,0,0]=4 2288 B13R2.155 Nc1ccc2ccc(O)cc2c1 Amb21955697 [1,1,0,0,0,0|1,0,0]=3 2289 B13R2.155 Nc1ccc2ccc(O)cc2c1 Amb9173657 [1,1,0,0,0,0|1,0,0]=3 2290 B13R2.155 Nc1ccc2ccc(O)cc2n1 Amb27471897 [1,1,0,0,0,0|2,0,0]=4 2291 B13R2.155 Nc1ccc2cnc(O)cc2c1 Amb22735994 [1,1,0,0,0,0|2,0,0]=4 2292 B13R2.155 Nc1ccc2ncc(Br)cc2c1 Amb1101979 [1,1,0,0,0,0|2,0,0]=4 2293 B13R2.155 Nc1ccc2ncc(Cl)cc2c1 Amb22586586 [1,1,0,0,0,0|2,0,0]=4 2294 B13R2.155 Nc1ccc2ncc(F)cc2c1 Amb22899391 [1,1,0,0,0,0|2,0,0]=4 2295 B13R2.155 Nc1ccc2ncc(I)cc2c1 Amb24359099 [1,1,0,0,0,0|2,0,0]=4 2296 B13R2.155 Nc1ccc2ncc(O)cc2c1 Amb24183776 [1,1,0,0,0,0|1,0,0]=3 2297 B13R2.155 Nc1cnc2ccc(Br)cc2c1 Amb1994332 [1,1,0,0,0,0|2,0,0]=4 2298 B13R2.155 Nc1cnc2ccc(Br)cc2c1 Amb9134115 [1,1,0,0,0,0|2,0,0]=4 2299 B13R2.155 Nc1cnc2ccc(Cl)cc2c1 Amb17157138 [1,1,0,0,0,0|2,0,0]=4 2300 B13R2.155 Nc1cnc2ccc(F)cc2c1 Amb17157137 [1,1,0,0,0,0|2,0,0]=4 2301 B13R2.155 Nc1cnc2ccc(F)cc2c1 Amb17621721 [1,1,0,0,0,0|2,0,0]=4 2302 B13R2.155 Nc1cnc2ccc(I)cc2c1 Amb32673379 [1,1,0,0,0,0|2,0,0]=4 2303 B13R2.155 Nc1cnc2ccc(O)cc2c1 Amb23580321 [1,1,0,0,0,0|2,0,0]=4 2304 B13R2.155 O=C1C=C2C=C(Br)C=CC2=CN1 Amb22371047 [1,1,0,0,0,0|2,0,0]=4 2305 B13R2.155 O=C1C=C2C=C(Cl)C=CC2=CN1 Amb24723301 [1,1,0,0,0,0|2,0,0]=4 2306 B13R2.155 O=C1C=Cc2ccc(Br)cc2N1 Amb20248087 [1,1,0,0,0,0|1,0,0]=3 2307 B13R2.155 O=C1C=Cc2ccc(Br)cc2O1 Amb26841310 [1,1,0,0,0,0|0,0,0]=2 2308 B13R2.155 O=C1C=Cc2ccc(Cl)cc2N1 Amb19894727 [1,1,0,0,0,0|1,0,0]=3 2309 B13R2.155 O=C1C=Cc2ccc(F)cc2N1 Amb23412015 [1,1,0,0,0,0|1,0,0]=3 2310 B13R2.155 O=C1C=Cc2ccc(F)cc2O1 Amb24736406 [1,1,0,0,0,0|0,0,0]=2 2311 B13R2.155 O=C1C=Cc2ccc(F)nc2N1 Amb22386916 [1,1,0,0,0,0|2,0,0]=4 2312 B13R2.155 O=C1C=Cc2ccc(I)cc2O1 Amb26420862 [1,1,0,0,0,0|0,0,0]=2 2313 B13R2.155 O=C1C=Cc2ccc(O)cc2N1 Amb18645438 [1,1,0,0,0,0|1,0,0]=3 2314 B13R2.155 O=C1C=Cc2ccc(O)cc2O1 Amb18511480 [1,1,0,0,0,0|0,0,0]=2 2315 B13R2.155 O=C1C=Cc2ccc(O)nc2O1 Amb18645755 [1,1,0,0,0,0|1,0,0]=3 2316 B13R2.155 O=C1C=Cc2ccc(S)cc2O1 Amb27963071 [1,1,0,0,0,0|0,0,0]=2 2317 B13R2.155 O=C1C=Cc2cnc(Cl)cc2N1 Amb28121939 [1,1,0,0,0,0|2,0,0]=4 2318 B13R2.155 O=C1C=Cc2cnc(F)cc2N1 Amb22494138 [1,1,0,0,0,0|2,0,0]=4 2319 B13R2.155 O=C1C=Cc2ncc(Br)cc2N1 Amb22739841 [1,1,0,0,0,0|2,0,0]=4 2320 B13R2.155 O=C1C=Cc2ncc(Cl)cc2N1 Amb22235070 [1,1,0,0,0,0|2,0,0]=4 2321 B13R2.155 O=C1C=Cc2ncc(F)cc2N1 Amb22234515 [1,1,0,0,0,0|2,0,0]=4 2322 B13R2.155 O=C1C=Nc2ccc(Br)cc2N1 Amb19789102 [1,1,0,0,0,0|2,0,0]=4 2323 B13R2.155 O=C1C=Nc2ccc(Cl)cc2N1 Amb19889641 [1,1,0,0,0,0|2,0,0]=4 2324 B13R2.155 O=C1C=Nc2ccc(I)cc2N1 Amb25178643 [1,1,0,0,0,0|2,0,0]=4 2325 B13R2.155 O=C1CCc2ccc(O)cc2O1 Amb5717908 [1,1,0,0,0,0|0,0,2]=4 2326 B13R2.155 O=C1CNc2ccc(Cl)cc2O1 Amb2234255 [1,1,0,0,0,0|1,0,1]=4 2327 B13R2.155 O=C1CNc2ccc(O)cc2O1 Amb28060911 [1,1,0,0,0,0|1,0,1]=4 2328 B13R2.155 O=C1COc2ccc(O)cc2O1 Amb27229107 [1,1,0,0,0,0|1,0,1]=4 2329 B13R2.155 O=C1N=Cc2ccc(Br)cc2N1 Amb21963258 [1,1,0,0,0,0|2,0,0]=4 2330 B13R2.155 O=C1NCc2ccc(Br)cc2O1 Amb33741881 [1,1,0,0,0,0|1,0,1]=4 2331 B13R2.155 O=C1NCc2ccc(O)cc2O1 Amb26575833 [1,1,0,0,0,0|1,0,1]=4 2332 B13R2.155 O=C1OCc2ccc(Br)cc2O1 Amb32698541 [1,1,0,0,0,0|1,0,1]=4 2333 B13R2.155 O=C1OCc2ccc(Cl)cc2O1 Amb32698539 [1,1,0,0,0,0|1,0,1]=4 2334 B13R2.155 O=C1OCc2ccc(F)cc2O1 Amb25350783 [1,1,0,0,0,0|1,0,1]=4 2335 B13R2.155 O=c1ccc2ccc(Cl)cc2o1 Amb5717858 [1,1,0,0,0,0|0,0,0]=2 2336 B13R2.155 OC1C=Cc2ccc(Cl)cc2O1 Amb27662136 [1,1,0,0,0,0|0,0,2]=4 2337 B13R2.155 Oc1cc2cc(Br)ccc2cn1 Amb16185816 [1,1,0,0,0,0|2,0,0]=4 2338 B13R2.155 Oc1cc2cc(F)ccc2cn1 Amb20171182 [1,1,0,0,0,0|2,0,0]=4 2339 B13R2.155 Oc1ccc2ccc(Br)cc2c1 Amb17596083 [1,1,0,0,0,0|1,0,0]=3 2340 B13R2.155 Oc1ccc2ccc(Br)cc2n1 Amb22284792 [1,1,0,0,0,0|1,0,1]=4 2341 B13R2.155 Oc1ccc2ccc(Cl)cc2c1 Amb17594576 [1,1,0,0,0,0|1,0,0]=3 2342 B13R2.155 Oc1ccc2ccc(Cl)cc2n1 Amb10603917 [1,1,0,0,0,0|1,0,1]=4 2343 B13R2.155 Oc1ccc2ccc(Cl)nc2c1 Amb613542 [1,1,0,0,0,0|2,0,0]=4 2344 B13R2.155 Oc1ccc2ccc(F)cc2c1 Amb24589653 [1,1,0,0,0,0|1,0,0]=3 2345 B13R2.155 Oc1ccc2ccc(F)nc2c1 Amb24485536 [1,1,0,0,0,0|2,0,0]=4 2346 B13R2.155 Oc1ccc2ccc(I)cc2c1 Amb24429632 [1,1,0,0,0,0|1,0,0]=3 2347 B13R2.155 Oc1ccc2ccc(I)cc2n1 Amb24605587 [1,1,0,0,0,0|1,0,1]=4 2348 B13R2.155 Oc1ccc2ccc(I)nc2c1 Amb27667715 [1,1,0,0,0,0|2,0,0]=4 2349 B13R2.155 Oc1ccc2ccc(O)cc2c1 Amb6357388 [1,1,0,0,0,0|1,0,0]=3 2350 B13R2.155 Oc1ccc2ccc(O)nc2c1 Amb10602568 [1,1,0,0,0,0|1,0,1]=4 2351 B13R2.155 Oc1ccc2cnc(Cl)cc2c1 Amb22735856 [1,1,0,0,0,0|2,0,0]=4 2352 B13R2.155 Oc1ccc2cnc(O)cc2c1 Amb27240825 [1,1,0,0,0,0|2,0,0]=4 2353 B13R2.155 Oc1ccc2ncc(Br)cc2c1 Amb21964255 [1,1,0,0,0,0|2,0,0]=4 2354 B13R2.155 Oc1ccc2ncc(Cl)cc2c1 Amb22497692 [1,1,0,0,0,0|2,0,0]=4 2355 B13R2.155 Oc1ccc2ncc(F)cc2c1 Amb22899330 [1,1,0,0,0,0|2,0,0]=4 2356 B13R2.155 Oc1ccc2ncc(I)cc2c1 Amb22494723 [1,1,0,0,0,0|2,0,0]=4 2357 B13R2.155 Oc1ccc2ncc(O)cc2c1 Amb24485547 [1,1,0,0,0,0|1,0,0]=3 2358 B13R2.155 Oc1cnc2ccc(Br)cc2c1 Amb33548540 [1,1,0,0,0,0|1,0,0]=3 2359 B13R2.155 Oc1cnc2ccc(Cl)cc2c1 Amb33547567 [1,1,0,0,0,0|1,0,0]=3 2360 B13R2.155 Oc1cnc2ccc(F)cc2c1 Amb22494761 [1,1,0,0,0,0|1,0,0]=3 2361 B13R2.155 Oc1cnc2ccc(I)cc2c1 Amb22494758 [1,1,0,0,0,0|1,0,0]=3 2362 B13R2.155 Sc1ccc2ccc(Br)cc2n1 Amb23536159 [1,1,0,0,0,0|1,1,0]=4 2363 B13R2.155 Sc1ccc2ccc(Cl)cc2n1 Amb23536154 [1,1,0,0,0,0|1,1,0]=4 2364 B13R2.155 Sc1ccc2ccc(S)cc2c1 Amb21954230 [1,1,0,0,0,0|1,1,0]=4 2365 B13R2.155 Sc1cnc2ccc(Cl)cc2c1 Amb28123722 [1,1,0,0,0,0|1,1,0]=4 2366 B13R2.155 [CH2+]c1ccc2ccc(O)cc2n1 Amb28129015 [1,1,0,0,0,0|2,0,0]=4 2367 B13R2.162 Brc1ccc2cccc(Br)c2c1 Amb24367292 [1,1,0,0,0,0|2,0,0]=4 2368 B13R2.162 Brc1ccc2cccc(Br)c2n1 Amb10808403 [1,1,0,0,0,0|2,0,0]=4 2369 B13R2.162 Brc1ccc2cccc(I)c2c1 Amb24663180 [1,1,0,0,0,0|2,0,0]=4 2370 B13R2.162 Brc1ccc2cccc(I)c2n1 Amb27953661 [1,1,0,0,0,0|2,0,0]=4 2371 B13R2.162 Brc1cccc2ccc(I)cc12 Amb4016207 [1,1,0,0,0,0|2,0,0]=4 2372 B13R2.162 Brc1cccc2ncc(I)cc12 Amb27770974 [1,1,0,0,0,0|2,0,0]=4 2373 B13R2.162 Brc1cnc2cccc(Br)c2c1 Amb15693009 [1,1,0,0,0,0|2,0,0]=4 2374 B13R2.162 CC1=CC=CC2=CNC(=O)C=C12 Amb23401154 [1,1,0,0,0,0|2,0,0]=4 2375 B13R2.162 CC1=CNC2=CC=CC(=N)C2=C1 Amb28245115 [1,1,0,0,0,0|2,0,0]=4 2376 B13R2.162 CN1C=CC=C2C=CC(=O)C=C21 Amb27614655 [1,1,0,0,0,0|2,0,0]=4 2377 B13R2.162 C[n+]1cccc2ccc(O)cc21 Amb27599338 [1,1,0,0,0,0|2,0,0]=4 2378 B13R2.162 Cc1ccc2cccc(Br)c2c1 Amb27619152 [1,1,0,0,0,0|2,0,0]=4 2379 B13R2.162 Cc1ccc2cccc(Br)c2n1 Amb2234931 [1,1,0,0,0,0|2,0,0]=4 2380 B13R2.162 Cc1ccc2cccc(C)c2c1 Amb6297868 [1,1,0,0,0,0|2,0,0]=4 2381 B13R2.162 Cc1ccc2cccc(C)c2n1 Amb13883939 [1,1,0,0,0,0|2,0,0]=4 2382 B13R2.162 Cc1ccc2cccc(C)c2n1 Amb1994369 [1,1,0,0,0,0|2,0,0]=4 2383 B13R2.162 Cc1ccc2cccc(Cl)c2c1 Amb24707706 [1,1,0,0,0,0|2,0,0]=4 2384 B13R2.162 Cc1ccc2cccc(Cl)c2n1 Amb2686459 [1,1,0,0,0,0|2,0,0]=4 2385 B13R2.162 Cc1ccc2cccc(F)c2c1 Amb24425397 [1,1,0,0,0,0|2,0,0]=4 2386 B13R2.162 Cc1ccc2cccc(F)c2n1 Amb17578178 [1,1,0,0,0,0|2,0,0]=4 2387 B13R2.162 Cc1ccc2cccc(I)c2c1 Amb27817685 [1,1,0,0,0,0|2,0,0]=4 2388 B13R2.162 Cc1ccc2cccc(I)c2n1 Amb2732184 [1,1,0,0,0,0|2,0,0]=4 2389 B13R2.162 Cc1ccc2cccc(N)c2c1 Amb22751119 [1,1,0,0,0,0|2,0,0]=4 2390 B13R2.162 Cc1ccc2cccc(N)c2n1 Amb6336162 [1,1,0,0,0,0|2,0,0]=4 2391 B13R2.162 Cc1ccc2cccc(O)c2c1 Amb17689149 [1,1,0,0,0,0|2,0,0]=4 2392 B13R2.162 Cc1ccc2cccc(O)c2n1 Amb1210122 [1,1,0,0,0,0|2,0,0]=4 2393 B13R2.162 Cc1ccc2cccc(O)c2n1 Amb24081196 [1,1,0,0,0,0|2,0,0]=4 2394 B13R2.162 Cc1ccc2cccc(S)c2n1 Amb26494302 [1,1,0,0,0,0|2,0,0]=4 2395 B13R2.162 Cc1cccc2c1NC(=O)C=C2 Amb18546019 [1,1,0,0,0,0|1,0,0]=3 2396 B13R2.162 Cc1cccc2c1OC(=O)C=C2 Amb28429789 [1,1,0,0,0,0|0,0,0]=2 2397 B13R2.162 Cc1cccc2c1OC(=O)CN2 Amb27199429 [1,1,0,0,0,0|1,0,1]=4 2398 B13R2.162 Cc1cccc2c1OC(=O)NC2 Amb28317854 [1,1,0,0,0,0|1,0,1]=4 2399 B13R2.162 Cc1cccc2c1OC(=O)OC2 Amb28077328 [1,1,0,0,0,0|1,0,1]=4 2400 B13R2.162 Cc1cccc2ccc(Br)cc12 Amb25771803 [1,1,0,0,0,0|2,0,0]=4 2401 B13R2.162 Cc1cccc2ccc(Br)nc12 Amb20171133 [1,1,0,0,0,0|2,0,0]=4 2402 B13R2.162 Cc1cccc2ccc(Cl)cc12 Amb25849279 [1,1,0,0,0,0|2,0,0]=4 2403 B13R2.162 Cc1cccc2ccc(Cl)nc12 Amb20171142 [1,1,0,0,0,0|2,0,0]=4 2404 B13R2.162 Cc1cccc2ccc(F)cc12 Amb24390185 [1,1,0,0,0,0|2,0,0]=4 2405 B13R2.162 Cc1cccc2ccc(I)cc12 Amb26517175 [1,1,0,0,0,0|2,0,0]=4 2406 B13R2.162 Cc1cccc2ccc(N)cc12 Amb22751121 [1,1,0,0,0,0|2,0,0]=4 2407 B13R2.162 Cc1cccc2ccc(N)nc12 Amb22886500 [1,1,0,0,0,0|2,0,0]=4 2408 B13R2.162 Cc1cccc2ccc(O)cc12 Amb28347350 [1,1,0,0,0,0|1,0,0]=3 2409 B13R2.162 Cc1cccc2ccc(S)nc12 Amb27495663 [1,1,0,0,0,0|1,1,0]=4 2410 B13R2.162 Cc1cccc2ncc(Br)cc12 Amb27959053 [1,1,0,0,0,0|2,0,0]=4 2411 B13R2.162 Cc1cccc2ncc(O)cc12 Amb25696317 [1,1,0,0,0,0|1,0,0]=3 2412 B13R2.162 Cc1ccnc2ccc(O)cc12 Amb17593985 [1,1,0,0,0,0|2,0,0]=4 2413 B13R2.162 Cc1cnc2cccc(Br)c2c1 Amb22001832 [1,1,0,0,0,0|2,0,0]=4 2414 B13R2.162 Cc1cnc2cccc(O)c2c1 Amb24102421 [1,1,0,0,0,0|2,0,0]=4 2415 B13R2.162 Cc1cncc2ccc(O)cc12 Amb28340871 [1,1,0,0,0,0|2,0,0]=4 2416 B13R2.162 Cc1nccc2ccc(O)cc12 Amb27470974 [1,1,0,0,0,0|2,0,0]=4 2417 B13R2.162 Clc1ccc2cccc(Br)c2c1 Amb24451031 [1,1,0,0,0,0|2,0,0]=4 2418 B13R2.162 Clc1ccc2cccc(Br)c2n1 Amb13883519 [1,1,0,0,0,0|2,0,0]=4 2419 B13R2.162 Clc1ccc2cccc(Cl)c2c1 Amb25731654 [1,1,0,0,0,0|2,0,0]=4 2420 B13R2.162 Clc1ccc2cccc(Cl)c2n1 Amb2719782 [1,1,0,0,0,0|2,0,0]=4 2421 B13R2.162 Clc1ccc2cccc(I)c2c1 Amb27814338 [1,1,0,0,0,0|2,0,0]=4 2422 B13R2.162 Clc1ccc2cccc(I)c2n1 Amb26413854 [1,1,0,0,0,0|2,0,0]=4 2423 B13R2.162 Clc1cccc2ccc(Br)cc12 Amb24079753 [1,1,0,0,0,0|2,0,0]=4 2424 B13R2.162 Clc1cccc2ccc(Br)nc12 Amb20171122 [1,1,0,0,0,0|2,0,0]=4 2425 B13R2.162 Clc1cccc2ncc(Br)cc12 Amb22757130 [1,1,0,0,0,0|2,0,0]=4 2426 B13R2.162 Clc1cccc2ncc(I)cc12 Amb27642615 [1,1,0,0,0,0|2,0,0]=4 2427 B13R2.162 Clc1cnc2cccc(Br)c2c1 Amb22899337 [1,1,0,0,0,0|2,0,0]=4 2428 B13R2.162 Fc1ccc2cccc(Br)c2c1 Amb25150060 [1,1,0,0,0,0|2,0,0]=4 2429 B13R2.162 Fc1ccc2cccc(Br)c2n1 Amb27666007 [1,1,0,0,0,0|2,0,0]=4 2430 B13R2.162 Fc1ccc2cccc(Cl)c2c1 Amb28282810 [1,1,0,0,0,0|2,0,0]=4 2431 B13R2.162 Fc1ccc2cccc(F)c2c1 Amb26601031 [1,1,0,0,0,0|2,0,0]=4 2432 B13R2.162 Fc1ccc2cccc(I)c2c1 Amb24616468 [1,1,0,0,0,0|2,0,0]=4 2433 B13R2.162 Fc1cccc2ccc(Br)cc12 Amb26061306 [1,1,0,0,0,0|2,0,0]=4 2434 B13R2.162 Fc1cccc2ccc(Br)nc12 Amb27770043 [1,1,0,0,0,0|2,0,0]=4 2435 B13R2.162 Fc1cccc2ccc(Cl)cc12 Amb25104805 [1,1,0,0,0,0|2,0,0]=4 2436 B13R2.162 Fc1cccc2ccc(Cl)nc12 Amb20171130 [1,1,0,0,0,0|2,0,0]=4 2437 B13R2.162 Fc1cccc2ccc(I)cc12 Amb25148957 [1,1,0,0,0,0|2,0,0]=4 2438 B13R2.162 Fc1cccc2ccc(S)nc12 Amb23536127 [1,1,0,0,0,0|1,1,0]=4 2439 B13R2.162 Fc1cccc2ncc(Br)cc12 Amb22899332 [1,1,0,0,0,0|2,0,0]=4 2440 B13R2.162 Fc1cnc2cccc(Br)c2c1 Amb22292331 [1,1,0,0,0,0|2,0,0]=4 2441 B13R2.162 Ic1ccc2cccc(I)c2c1 Amb26335509 [1,1,0,0,0,0|2,0,0]=4 2442 B13R2.162 Nc1ccc2cccc(Br)c2c1 Amb27796262 [1,1,0,0,0,0|2,0,0]=4 2443 B13R2.162 Nc1ccc2cccc(Br)c2n1 Amb20668795 [1,1,0,0,0,0|2,0,0]=4 2444 B13R2.162 Nc1ccc2cccc(Cl)c2c1 Amb17594514 [1,1,0,0,0,0|2,0,0]=4 2445 B13R2.162 Nc1ccc2cccc(Cl)c2n1 Amb18648198 [1,1,0,0,0,0|2,0,0]=4 2446 B13R2.162 Nc1ccc2cccc(F)c2c1 Amb24400529 [1,1,0,0,0,0|2,0,0]=4 2447 B13R2.162 Nc1ccc2cccc(F)c2n1 Amb22899302 [1,1,0,0,0,0|2,0,0]=4 2448 B13R2.162 Nc1ccc2cccc(I)c2c1 Amb25778164 [1,1,0,0,0,0|2,0,0]=4 2449 B13R2.162 Nc1ccc2cccc(N)c2c1 Amb17593961 [1,1,0,0,0,0|2,0,0]=4 2450 B13R2.162 Nc1ccc2cccc(N)c2n1 Amb23401122 [1,1,0,0,0,0|2,0,0]=4 2451 B13R2.162 Nc1ccc2cccc(O)c2c1 Amb17593982 [1,1,0,0,0,0|2,0,0]=4 2452 B13R2.162 Nc1ccc2cccc(O)c2n1 Amb2720259 [1,1,0,0,0,0|2,0,0]=4 2453 B13R2.162 Nc1cccc2c1NC(=O)C=C2 Amb18645297 [1,1,0,0,0,0|1,0,0]=3 2454 B13R2.162 Nc1cccc2c1NC(=O)C=C2 Amb22548256 [1,1,0,0,0,0|1,0,0]=3 2455 B13R2.162 Nc1cccc2c1OC(=O)C=C2 Amb18547323 [1,1,0,0,0,0|0,0,0]=2 2456 B13R2.162 Nc1cccc2c1OC(=O)NC2 Amb27237730 [1,1,0,0,0,0|1,0,1]=4 2457 B13R2.162 Nc1cccc2ccc(Br)cc12 Amb17596047 [1,1,0,0,0,0|2,0,0]=4 2458 B13R2.162 Nc1cccc2ccc(Br)nc12 Amb23399861 [1,1,0,0,0,0|2,0,0]=4 2459 B13R2.162 Nc1cccc2ccc(Cl)cc12 Amb17594520 [1,1,0,0,0,0|2,0,0]=4 2460 B13R2.162 Nc1cccc2ccc(Cl)nc12 Amb21618807 [1,1,0,0,0,0|2,0,0]=4 2461 B13R2.162 Nc1cccc2ccc(F)cc12 Amb24465110 [1,1,0,0,0,0|2,0,0]=4 2462 B13R2.162 Nc1cccc2ccc(I)cc12 Amb25784705 [1,1,0,0,0,0|2,0,0]=4 2463 B13R2.162 Nc1cccc2ccc(O)cc12 Amb17750263 [1,1,0,0,0,0|1,0,0]=3 2464 B13R2.162 Nc1cccc2ccc(S)cc12 Amb27657661 [1,1,0,0,0,0|1,1,0]=4 2465 B13R2.162 Nc1cccc2cnc(O)cc12 Amb22735993 [1,1,0,0,0,0|2,0,0]=4 2466 B13R2.162 Nc1cccc2ncc(Br)cc12 Amb22899398 [1,1,0,0,0,0|2,0,0]=4 2467 B13R2.162 Nc1cccc2ncc(Cl)cc12 Amb22755312 [1,1,0,0,0,0|2,0,0]=4 2468 B13R2.162 Nc1cccc2ncc(F)cc12 Amb22899389 [1,1,0,0,0,0|2,0,0]=4 2469 B13R2.162 Nc1cccc2ncc(O)cc12 Amb22899411 [1,1,0,0,0,0|1,0,0]=3 2470 B13R2.162 Nc1ccnc2c1NC(=O)C=C2 Amb27453645 [1,1,0,0,0,0|2,0,0]=4 2471 B13R2.162 Nc1cnc2cccc(Br)c2c1 Amb22494701 [1,1,0,0,0,0|2,0,0]=4 2472 B13R2.162 Nc1cnc2cccc(Cl)c2c1 Amb24183747 [1,1,0,0,0,0|2,0,0]=4 2473 B13R2.162 Nc1cnc2cccc(F)c2c1 Amb22899331 [1,1,0,0,0,0|2,0,0]=4 2474 B13R2.162 Nc1cnc2cccc(O)c2c1 Amb22899338 [1,1,0,0,0,0|2,0,0]=4 2475 B13R2.162 O=C1C=CC2=CC=CC(=O)C2=C1 Amb27256369 [1,1,0,0,0,0|1,0,0]=3 2476 B13R2.162 O=C1C=CC2=CNC=C(Br)C2=N1 Amb27810684 [1,1,0,0,0,0|2,0,0]=4 2477 B13R2.162 O=C1C=CSc2ccc(O)cc21 Amb25714254 [1,1,0,0,0,0|2,0,0]=4 2478 B13R2.162 O=C1C=Cc2cccc(Br)c2N1 Amb17933211 [1,1,0,0,0,0|1,0,0]=3 2479 B13R2.162 O=C1C=Cc2cccc(Br)c2O1 Amb19957580 [1,1,0,0,0,0|0,0,0]=2 2480 B13R2.162 O=C1C=Cc2cccc(Cl)c2O1 Amb28073885 [1,1,0,0,0,0|0,0,0]=2 2481 B13R2.162 O=C1C=Cc2cccc(F)c2N1 Amb18546026 [1,1,0,0,0,0|1,0,0]=3 2482 B13R2.162 O=C1C=Cc2cccc(F)c2O1 Amb27272596 [1,1,0,0,0,0|0,0,0]=2 2483 B13R2.162 O=C1C=Cc2cccc(I)c2N1 Amb24579898 [1,1,0,0,0,0|1,0,0]=3 2484 B13R2.162 O=C1C=Cc2cccc(I)c2O1 Amb25206611 [1,1,0,0,0,0|0,0,0]=2 2485 B13R2.162 O=C1C=Cc2cccc(O)c2N1 Amb18038432 [1,1,0,0,0,0|1,0,0]=3 2486 B13R2.162 O=C1C=Cc2cccc(O)c2O1 Amb18645571 [1,1,0,0,0,0|0,0,0]=2 2487 B13R2.162 O=C1C=Cc2cncc(Br)c2N1 Amb22043947 [1,1,0,0,0,0|2,0,0]=4 2488 B13R2.162 O=C1C=Cc2cncc(Cl)c2N1 Amb33493991 [1,1,0,0,0,0|2,0,0]=4 2489 B13R2.162 O=C1C=Nc2cccc(Br)c2N1 Amb21963796 [1,1,0,0,0,0|2,0,0]=4 2490 B13R2.162 O=C1CCc2cccc(F)c2O1 Amb27751736 [1,1,0,0,0,0|0,0,2]=4 2491 B13R2.162 O=C1N=Cc2cccc(Cl)c2N1 Amb27153655 [1,1,0,0,0,0|2,0,0]=4 2492 B13R2.162 O=C1NC=Cc2ccc(O)cc21 Amb18645442 [1,1,0,0,0,0|2,0,0]=4 2493 B13R2.162 O=C1NCc2cccc(Br)c2O1 Amb33620613 [1,1,0,0,0,0|1,0,1]=4 2494 B13R2.162 O=C1NCc2cccc(Cl)c2O1 Amb33229149 [1,1,0,0,0,0|1,0,1]=4 2495 B13R2.162 O=C1NCc2cccc(O)c2O1 Amb25287566 [1,1,0,0,0,0|1,0,1]=4 2496 B13R2.162 O=C1OCc2cccc(O)c2O1 Amb27964323 [1,1,0,0,0,0|1,0,1]=4 2497 B13R2.162 O=c1ccc2cccc(Br)c2o1 Amb22230172 [1,1,0,0,0,0|0,0,0]=2 2498 B13R2.162 O=c1ccoc2ccc(O)cc12 Amb1304863 [1,1,0,0,0,0|2,0,0]=4 2499 B13R2.162 Oc1cc2c(Br)cccc2cn1 Amb21857983 [1,1,0,0,0,0|2,0,0]=4 2500 B13R2.162 Oc1cc2c(Cl)cccc2cn1 Amb23401156 [1,1,0,0,0,0|2,0,0]=4 2501 B13R2.162 Oc1cc2c(F)cccc2cn1 Amb23401157 [1,1,0,0,0,0|2,0,0]=4 2502 B13R2.162 Oc1cc2c(O)cccc2cn1 Amb27856805 [1,1,0,0,0,0|2,0,0]=4 2503 B13R2.162 Oc1ccc2cccc(Br)c2c1 Amb16231039 [1,1,0,0,0,0|1,0,0]=3 2504 B13R2.162 Oc1ccc2cccc(Br)c2n1 Amb22371957 [1,1,0,0,0,0|1,0,1]=4 2505 B13R2.162 Oc1ccc2cccc(Cl)c2c1 Amb17594577 [1,1,0,0,0,0|1,0,0]=3 2506 B13R2.162 Oc1ccc2cccc(Cl)c2n1 Amb22235418 [1,1,0,0,0,0|1,0,1]=4 2507 B13R2.162 Oc1ccc2cccc(F)c2c1 Amb18645622 [1,1,0,0,0,0|1,0,0]=3 2508 B13R2.162 Oc1ccc2cccc(I)c2c1 Amb25148831 [1,1,0,0,0,0|1,0,0]=3 2509 B13R2.162 Oc1ccc2cccc(O)c2c1 Amb8516929 [1,1,0,0,0,0|1,0,0]=3 2510 B13R2.162 Oc1ccc2cccc(O)c2n1 Amb4324700 [1,1,0,0,0,0|1,0,1]=4 2511 B13R2.162 Oc1ccc2ccnc(Cl)c2c1 Amb22001578 [1,1,0,0,0,0|2,0,0]=4 2512 B13R2.162 Oc1ccc2ccnc(F)c2c1 Amb35653851 [1,1,0,0,0,0|2,0,0]=4 2513 B13R2.162 Oc1ccc2ccnc(S)c2c1 Amb27664121 [1,1,0,0,0,0|2,0,0]=4 2514 B13R2.162 Oc1ccc2nccc(Cl)c2c1 Amb15692139 [1,1,0,0,0,0|2,0,0]=4 2515 B13R2.162 Oc1ccc2nccc(F)c2c1 Amb27474457 [1,1,0,0,0,0|2,0,0]=4 2516 B13R2.162 Oc1ccc2nccc(I)c2c1 Amb26935916 [1,1,0,0,0,0|2,0,0]=4 2517 B13R2.162 Oc1cccc2ccc(Br)cc12 Amb17596078 [1,1,0,0,0,0|2,0,0]=4 2518 B13R2.162 Oc1cccc2ccc(Br)nc12 Amb22501093 [1,1,0,0,0,0|2,0,0]=4 2519 B13R2.162 Oc1cccc2ccc(Cl)cc12 Amb17594572 [1,1,0,0,0,0|2,0,0]=4 2520 B13R2.162 Oc1cccc2ccc(Cl)nc12 Amb6369471 [1,1,0,0,0,0|2,0,0]=4 2521 B13R2.162 Oc1cccc2ccc(F)cc12 Amb18559372 [1,1,0,0,0,0|2,0,0]=4 2522 B13R2.162 Oc1cccc2ccc(F)nc12 Amb25793521 [1,1,0,0,0,0|2,0,0]=4 2523 B13R2.162 Oc1cccc2ccc(S)nc12 Amb17322674 [1,1,0,0,0,0|1,1,0]=4 2524 B13R2.162 Oc1cccc2ncc(Br)cc12 Amb21963515 [1,1,0,0,0,0|2,0,0]=4 2525 B13R2.162 Oc1cccc2ncc(Cl)cc12 Amb22494666 [1,1,0,0,0,0|2,0,0]=4 2526 B13R2.162 Oc1cccc2ncc(F)cc12 Amb22899341 [1,1,0,0,0,0|2,0,0]=4 2527 B13R2.162 Oc1cccc2ncc(I)cc12 Amb22494878 [1,1,0,0,0,0|2,0,0]=4 2528 B13R2.162 Oc1cnc2cccc(Br)c2c1 Amb22494956 [1,1,0,0,0,0|1,0,0]=3 2529 B13R2.162 Oc1cnc2cccc(Cl)c2c1 Amb24183754 [1,1,0,0,0,0|1,0,0]=3 2530 B13R2.162 Oc1cnc2cccc(Cl)c2n1 Amb22496025 [1,1,0,0,0,0|2,0,0]=4 2531 B13R2.162 Oc1cnc2cccc(F)c2c1 Amb24183767 [1,1,0,0,0,0|1,0,0]=3 2532 B13R2.162 Oc1cnc2cccc(I)c2c1 Amb26868844 [1,1,0,0,0,0|1,0,0]=3 2533 B13R2.162 Oc1cnc2cccc(O)c2c1 Amb26861197 [1,1,0,0,0,0|1,0,0]=3 2534 B13R2.162 Oc1cnc2ccnc(Cl)c2c1 Amb28125663 [1,1,0,0,0,0|2,0,0]=4 2535 B13R2.162 Sc1ccc2cccc(Br)c2n1 Amb23536158 [1,1,0,0,0,0|1,1,0]=4 2536 B13R2.162 Sc1ccc2cccc(Cl)c2n1 Amb23536153 [1,1,0,0,0,0|1,1,0]=4 2537 B13R2.222 CC1(C)C=Cc2ccccc2O1 Amb22324894 [1,1,0,0,0,0|1,0,1]=4 2538 B13R2.222 O=S1(=O)C=Cc2ccccc2N1 Amb27468630 [1,1,0,0,0,0|2,0,0]=4 2539 B13R2.222 O=S1(=O)N=Cc2ccccc2O1 Amb28122731 [1,1,0,0,0,0|2,0,0]=4 2540 B13R2.328 Brc1cc(Br)c2ccccc2n1 Amb2610048 [1,1,0,0,0,0|2,0,0]=4 2541 B13R2.328 Brc1cc(I)c2ccccc2c1 Amb26331453 [1,1,0,0,0,0|2,0,0]=4 2542 B13R2.328 Brc1cc(I)c2ccccc2n1 Amb27642315 [1,1,0,0,0,0|2,0,0]=4 2543 B13R2.328 Brc1cc(I)cc2ccccc12 Amb27804458 [1,1,0,0,0,0|2,0,0]=4 2544 B13R2.328 C=C1NC(=O)Nc2ccccc21 Amb25150937 [1,1,0,0,0,0|2,0,0]=4 2545 B13R2.328 C=C1OC(=O)Nc2ccccc21 Amb24497158 [1,1,0,0,0,0|2,0,0]=4 2546 B13R2.328 CC1=C2C=CC=CC2=CC(=O)N1 Amb22371049 [1,1,0,0,0,0|2,0,0]=4 2547 B13R2.328 CC1=C2C=CC=CC2=NC(=O)N1 Amb22493795 [1,1,0,0,0,0|2,0,0]=4 2548 B13R2.328 CC1=CC(=O)Cc2ccccc21 Amb28287006 [1,1,0,0,0,0|1,0,0]=3 2549 B13R2.328 CC1=CC(=O)N=C2C=CC=CN12 Amb20655584 [1,1,0,0,0,0|2,0,0]=4 2550 B13R2.328 CC1=CC(=O)Nc2ccccc21 Amb19654011 [1,1,0,0,0,0|1,0,0]=3 2551 B13R2.328 CC1=CC(=O)Nc2ccncc21 Amb18015580 [1,1,0,0,0,0|2,0,0]=4 2552 B13R2.328 CC1=CC(=O)Oc2ccccc21 Amb20001467 [1,1,0,0,0,0|0,0,0]=2 2553 B13R2.328 CC1=CC(=O)c2ccccc2N1 Amb18368798 [1,1,0,0,0,0|2,0,0]=4 2554 B13R2.328 CC1=CC(=O)c2ccccc2O1 Amb19666848 [1,1,0,0,0,0|1,0,0]=3 2555 B13R2.328 CC1=CC(=O)c2ccccc2S1 Amb20414518 [1,1,0,0,0,0|1,1,0]=4 2556 B13R2.328 CC1=CC(=O)c2cnccc2O1 Amb28202041 [1,1,0,0,0,0|2,0,0]=4 2557 B13R2.328 CC1=CC(=S)Nc2ccccc21 Amb18010309 [1,1,0,0,0,0|1,1,0]=4 2558 B13R2.328 CN1CC(O)=Cc2ccccc21 Amb27827527 [1,1,0,0,0,0|1,0,1]=4 2559 B13R2.328 C[n+]1cc(Br)cc2ccccc21 Amb2610039 [1,1,0,0,0,0|2,0,0]=4 2560 B13R2.328 Cc1cc(Br)c2ccccc2c1 Amb20669369 [1,1,0,0,0,0|2,0,0]=4 2561 B13R2.328 Cc1cc(Br)c2ccccc2n1 Amb9386790 [1,1,0,0,0,0|2,0,0]=4 2562 B13R2.328 Cc1cc(Br)cc2ccccc12 Amb27603982 [1,1,0,0,0,0|2,0,0]=4 2563 B13R2.328 Cc1cc(Br)nc2ccccc12 Amb18355120 [1,1,0,0,0,0|2,0,0]=4 2564 B13R2.328 Cc1cc(C)c2ccccc2c1 Amb6296604 [1,1,0,0,0,0|2,0,0]=4 2565 B13R2.328 Cc1cc(C)c2ccccc2n1 Amb4037272 [1,1,0,0,0,0|2,0,0]=4 2566 B13R2.328 Cc1cc(Cl)c2ccccc2n1 Amb22496125 [1,1,0,0,0,0|2,0,0]=4 2567 B13R2.328 Cc1cc(Cl)c2ccccc2n1 Amb6335281 [1,1,0,0,0,0|2,0,0]=4 2568 B13R2.328 Cc1cc(Cl)cc2ccccc12 Amb27231656 [1,1,0,0,0,0|2,0,0]=4 2569 B13R2.328 Cc1cc(Cl)nc2ccccc12 Amb1351694 [1,1,0,0,0,0|2,0,0]=4 2570 B13R2.328 Cc1cc(F)cc2ccccc12 Amb26895615 [1,1,0,0,0,0|2,0,0]=4 2571 B13R2.328 Cc1cc(I)c2ccccc2c1 Amb26442248 [1,1,0,0,0,0|2,0,0]=4 2572 B13R2.328 Cc1cc(I)c2ccccc2n1 Amb22756186 [1,1,0,0,0,0|2,0,0]=4 2573 B13R2.328 Cc1cc(I)cc2ccccc12 Amb24427637 [1,1,0,0,0,0|2,0,0]=4 2574 B13R2.328 Cc1cc(I)nc2ccccc12 Amb27439605 [1,1,0,0,0,0|2,0,0]=4 2575 B13R2.328 Cc1cc(N)c2ccccc2c1 Amb18644932 [1,1,0,0,0,0|2,0,0]=4 2576 B13R2.328 Cc1cc(N)c2ccccc2n1 Amb1204080 [1,1,0,0,0,0|2,0,0]=4 2577 B13R2.328 Cc1cc(N)cc2ccccc12 Amb18126074 [1,1,0,0,0,0|2,0,0]=4 2578 B13R2.328 Cc1cc(N)nc2ccccc12 Amb1994857 [1,1,0,0,0,0|2,0,0]=4 2579 B13R2.328 Cc1cc(N)nc2ccccc12 Amb1994874 [1,1,0,0,0,0|2,0,0]=4 2580 B13R2.328 Cc1cc(O)c2ccccc2n1 Amb1796824 [1,1,0,0,0,0|2,0,0]=4 2581 B13R2.328 Cc1cc(O)cc2ccccc12 Amb18645052 [1,1,0,0,0,0|1,0,0]=3 2582 B13R2.328 Cc1cc(O)cc2ccncc12 Amb27862395 [1,1,0,0,0,0|2,0,0]=4 2583 B13R2.328 Cc1cc(O)cc2ncccc12 Amb26845006 [1,1,0,0,0,0|2,0,0]=4 2584 B13R2.328 Cc1cc(O)nc2ccccc12 Amb6335240 [1,1,0,0,0,0|1,0,1]=4 2585 B13R2.328 Cc1cc(S)c2ccccc2n1 Amb534230 [1,1,0,0,0,0|2,0,0]=4 2586 B13R2.328 Cc1cc(S)nc2ccccc12 Amb1104121 [1,1,0,0,0,0|1,1,0]=4 2587 B13R2.328 Cc1cc2ccccc2[n+]([O-])c1 Amb33141042 [1,1,0,0,0,0|2,0,0]=4 2588 B13R2.328 Cc1cc2ccccc2[n+]([O-])c1 Amb9826886 [1,1,0,0,0,0|2,0,0]=4 2589 B13R2.328 Cc1cc2ccccc2n(=O)c1 Amb20247263 [1,1,0,0,0,0|2,0,0]=4 2590 B13R2.328 Cc1nc(=O)c2ccccc2o1 Amb344572 [1,1,0,0,0,0|2,0,0]=4 2591 B13R2.328 Clc1cc(Br)c2ccccc2c1 Amb28411408 [1,1,0,0,0,0|2,0,0]=4 2592 B13R2.328 Clc1cc(Br)nc2ccccc12 Amb22263015 [1,1,0,0,0,0|2,0,0]=4 2593 B13R2.328 Clc1cc(Cl)c2ccccc2c1 Amb27233231 [1,1,0,0,0,0|2,0,0]=4 2594 B13R2.328 Clc1cc(Cl)c2ccccc2n1 Amb2610837 [1,1,0,0,0,0|2,0,0]=4 2595 B13R2.328 Clc1cc(I)c2ccccc2n1 Amb27445733 [1,1,0,0,0,0|2,0,0]=4 2596 B13R2.328 Clc1cc(I)cc2ccccc12 Amb25217612 [1,1,0,0,0,0|2,0,0]=4 2597 B13R2.328 Fc1cc(Br)c2ccccc2c1 Amb26969445 [1,1,0,0,0,0|2,0,0]=4 2598 B13R2.328 Fc1cc(Br)cc2ccccc12 Amb8629527 [1,1,0,0,0,0|2,0,0]=4 2599 B13R2.328 Fc1cc(Cl)c2ccccc2c1 Amb25121500 [1,1,0,0,0,0|2,0,0]=4 2600 B13R2.328 Fc1cc(Cl)c2ccccc2n1 Amb27488292 [1,1,0,0,0,0|2,0,0]=4 2601 B13R2.328 Fc1cc(Cl)cc2ccccc12 Amb26511445 [1,1,0,0,0,0|2,0,0]=4 2602 B13R2.328 Fc1cc(F)c2ccccc2c1 Amb26319288 [1,1,0,0,0,0|2,0,0]=4 2603 B13R2.328 Fc1cc(I)c2ccccc2c1 Amb26024837 [1,1,0,0,0,0|2,0,0]=4 2604 B13R2.328 Fc1cc(I)cc2ccccc12 Amb22547559 [1,1,0,0,0,0|2,0,0]=4 2605 B13R2.328 Ic1cc(I)c2ccccc2c1 Amb25848812 [1,1,0,0,0,0|2,0,0]=4 2606 B13R2.328 NC1=C2C=CC=CC2=CC(=O)N1 Amb24511574 [1,1,0,0,0,0|2,0,0]=4 2607 B13R2.328 NC1=C2C=CC=CC2=NC(=O)N1 Amb22015224 [1,1,0,0,0,0|2,0,0]=4 2608 B13R2.328 NC1=CC(=O)Nc2ccccc21 Amb18645325 [1,1,0,0,0,0|1,0,0]=3 2609 B13R2.328 NC1=CC(=O)Oc2ccccc21 Amb18645456 [1,1,0,0,0,0|0,0,0]=2 2610 B13R2.328 NC1=CC(=O)c2ccccc2N1 Amb21856421 [1,1,0,0,0,0|2,0,0]=4 2611 B13R2.328 NC1=CC(=O)c2ccccc2O1 Amb19870090 [1,1,0,0,0,0|1,0,0]=3 2612 B13R2.328 NC1=CC(=O)c2ccccc2S1 Amb25097114 [1,1,0,0,0,0|1,1,0]=4 2613 B13R2.328 NC1=CC(=O)c2cccnc2O1 Amb18048480 [1,1,0,0,0,0|2,0,0]=4 2614 B13R2.328 Nc1cc(Br)c2ccccc2c1 Amb17596046 [1,1,0,0,0,0|2,0,0]=4 2615 B13R2.328 Nc1cc(Br)c2ccccc2c1 Amb32675699 [1,1,0,0,0,0|2,0,0]=4 2616 B13R2.328 Nc1cc(Br)c2ccccc2n1 Amb10070902 [1,1,0,0,0,0|2,0,0]=4 2617 B13R2.328 Nc1cc(Br)cc2ccccc12 Amb17596048 [1,1,0,0,0,0|2,0,0]=4 2618 B13R2.328 Nc1cc(Br)cc2ccccc12 Amb32992791 [1,1,0,0,0,0|2,0,0]=4 2619 B13R2.328 Nc1cc(Br)nc2ccccc12 Amb20248088 [1,1,0,0,0,0|2,0,0]=4 2620 B13R2.328 Nc1cc(Cl)c2ccccc2c1 Amb17594518 [1,1,0,0,0,0|2,0,0]=4 2621 B13R2.328 Nc1cc(Cl)c2ccccc2n1 Amb18648192 [1,1,0,0,0,0|2,0,0]=4 2622 B13R2.328 Nc1cc(Cl)cc2ccccc12 Amb17594522 [1,1,0,0,0,0|2,0,0]=4 2623 B13R2.328 Nc1cc(Cl)nc2ccccc12 Amb18648199 [1,1,0,0,0,0|2,0,0]=4 2624 B13R2.328 Nc1cc(Cl)nc2ccccc12 Amb22275993 [1,1,0,0,0,0|2,0,0]=4 2625 B13R2.328 Nc1cc(F)c2ccccc2n1 Amb25760167 [1,1,0,0,0,0|2,0,0]=4 2626 B13R2.328 Nc1cc(F)cc2ccccc12 Amb26464234 [1,1,0,0,0,0|2,0,0]=4 2627 B13R2.328 Nc1cc(I)c2ccccc2n1 Amb26370708 [1,1,0,0,0,0|2,0,0]=4 2628 B13R2.328 Nc1cc(I)cc2ccccc12 Amb26016187 [1,1,0,0,0,0|2,0,0]=4 2629 B13R2.328 Nc1cc(I)nc2ccccc12 Amb27197064 [1,1,0,0,0,0|2,0,0]=4 2630 B13R2.328 Nc1cc(N)c2ccccc2c1 Amb17593963 [1,1,0,0,0,0|2,0,0]=4 2631 B13R2.328 Nc1cc(N)c2ccccc2n1 Amb26484632 [1,1,0,0,0,0|2,0,0]=4 2632 B13R2.328 Nc1cc(O)c2ccccc2c1 Amb17593981 [1,1,0,0,0,0|2,0,0]=4 2633 B13R2.328 Nc1cc(O)c2ccccc2c1 Amb28555827 [1,1,0,0,0,0|2,0,0]=4 2634 B13R2.328 Nc1cc(O)c2ccccc2n1 Amb2610300 [1,1,0,0,0,0|2,0,0]=4 2635 B13R2.328 Nc1cc(O)cc2ccccc12 Amb18048469 [1,1,0,0,0,0|1,0,0]=3 2636 B13R2.328 Nc1cc(O)cc2ncccc12 Amb25709274 [1,1,0,0,0,0|2,0,0]=4 2637 B13R2.328 Nc1cc2ccccc2[n+]([O-])c1 Amb26480726 [1,1,0,0,0,0|2,0,0]=4 2638 B13R2.328 O=C1C=C(Br)c2ccccc2N1 Amb21520307 [1,1,0,0,0,0|1,0,0]=3 2639 B13R2.328 O=C1C=C(Br)c2ccccc2O1 Amb20248285 [1,1,0,0,0,0|0,0,0]=2 2640 B13R2.328 O=C1C=C(Br)c2ccncc2N1 Amb25864668 [1,1,0,0,0,0|2,0,0]=4 2641 B13R2.328 O=C1C=C(Cl)Nc2ccccc21 Amb22500808 [1,1,0,0,0,0|2,0,0]=4 2642 B13R2.328 O=C1C=C(Cl)Oc2ccccc21 Amb28140666 [1,1,0,0,0,0|1,0,0]=3 2643 B13R2.328 O=C1C=C(Cl)c2ccccc2N1 Amb19516664 [1,1,0,0,0,0|1,0,0]=3 2644 B13R2.328 O=C1C=C(Cl)c2ccccc2O1 Amb20414537 [1,1,0,0,0,0|0,0,0]=2 2645 B13R2.328 O=C1C=C(Cl)c2cccnc2N1 Amb22753696 [1,1,0,0,0,0|2,0,0]=4 2646 B13R2.328 O=C1C=C(Cl)c2ccncc2N1 Amb33456380 [1,1,0,0,0,0|2,0,0]=4 2647 B13R2.328 O=C1C=C(F)c2ccccc2N1 Amb26375660 [1,1,0,0,0,0|1,0,0]=3 2648 B13R2.328 O=C1C=C(I)c2ccccc2O1 Amb27442019 [1,1,0,0,0,0|0,0,0]=2 2649 B13R2.328 O=C1C=C(O)Sc2ccccc21 Amb26517364 [1,1,0,0,0,0|0,1,1]=4 2650 B13R2.328 O=C1C=C(O)c2ccccc2N1 Amb18002636 [1,1,0,0,0,0|1,0,0]=3 2651 B13R2.328 O=C1C=C(O)c2ccccc2O1 Amb18372000 [1,1,0,0,0,0|0,0,0]=2 2652 B13R2.328 O=C1C=C(O)c2ccccc2S1 Amb19517275 [1,1,0,0,0,0|0,1,0]=3 2653 B13R2.328 O=C1C=C(O)c2cccnc2N1 Amb20662029 [1,1,0,0,0,0|2,0,0]=4 2654 B13R2.328 O=C1C=C(O)c2ccncc2N1 Amb22494124 [1,1,0,0,0,0|2,0,0]=4 2655 B13R2.328 O=C1C=C(O)c2ncccc2N1 Amb22372203 [1,1,0,0,0,0|2,0,0]=4 2656 B13R2.328 O=C1C=C(S)Oc2ccccc21 Amb27407667 [1,1,0,0,0,0|0,1,0]=3 2657 B13R2.328 O=C1C=C(S)c2ccccc2O1 Amb24446596 [1,1,0,0,0,0|0,0,0]=2 2658 B13R2.328 O=C1C=C([O-])[n+]2ccccc2N1 Amb20415253 [1,1,0,0,0,0|2,0,0]=4 2659 B13R2.328 O=C1C=C([O-])c2ccccc2N1 Amb22731733 [1,1,0,0,0,0|1,0,0]=3 2660 B13R2.328 O=C1C=C2C=CC=CC2=C(Br)N1 Amb26067798 [1,1,0,0,0,0|2,0,0]=4 2661 B13R2.328 O=C1C=C2C=CC=CC2=C(I)N1 Amb27624963 [1,1,0,0,0,0|2,0,0]=4 2662 B13R2.328 O=C1CC(=O)c2ccccc2N1 Amb22263121 [1,1,0,0,0,0|1,0,1]=4 2663 B13R2.328 O=C1CC(=O)c2ccccc2O1 Amb19748567 [1,1,0,0,0,0|0,0,1]=3 2664 B13R2.328 O=C1CC(=S)Oc2ccccc21 Amb27193516 [1,1,0,0,0,0|0,1,1]=4 2665 B13R2.328 O=C1CC(O)c2ccccc2O1 Amb8385084 [1,1,0,0,0,0|0,0,2]=4 2666 B13R2.328 O=C1Cc2ccccc2C(=O)N1 Amb1221580 [1,1,0,0,0,0|2,0,0]=4 2667 B13R2.328 O=C1Cc2ccccc2C(=O)O1 Amb1157145 [1,1,0,0,0,0|2,0,0]=4 2668 B13R2.328 O=C1Cc2ccccc2C(=S)N1 Amb17843901 [1,1,0,0,0,0|2,0,0]=4 2669 B13R2.328 O=C1N=C(Cl)c2ccccc2N1 Amb22371858 [1,1,0,0,0,0|2,0,0]=4 2670 B13R2.328 O=C1NC(=O)c2ccccc2N1 Amb18005794 [1,1,0,0,0,0|2,0,0]=4 2671 B13R2.328 O=C1NC(=O)c2ccccc2O1 Amb20243206 [1,1,0,0,0,0|1,0,0]=3 2672 B13R2.328 O=C1NC(=O)c2ccccc2S1 Amb22036855 [1,1,0,0,0,0|1,1,0]=4 2673 B13R2.328 O=C1NC(=S)Oc2ccccc21 Amb27170743 [1,1,0,0,0,0|1,1,0]=4 2674 B13R2.328 O=C1NC(=S)c2ccccc2O1 Amb27870853 [1,1,0,0,0,0|1,0,0]=3 2675 B13R2.328 O=C1Nc2ccccc2C(=O)O1 Amb18183505 [1,1,0,0,0,0|2,0,0]=4 2676 B13R2.328 OC1C=C(Cl)c2ccccc2O1 Amb28245146 [1,1,0,0,0,0|0,0,2]=4 2677 B13R2.328 Oc1cc(Br)c2ccccc2c1 Amb17596081 [1,1,0,0,0,0|1,0,0]=3 2678 B13R2.328 Oc1cc(Br)c2cccnc2c1 Amb26905219 [1,1,0,0,0,0|2,0,0]=4 2679 B13R2.328 Oc1cc(Br)c2cnccc2c1 Amb26050067 [1,1,0,0,0,0|2,0,0]=4 2680 B13R2.328 Oc1cc(Br)c2cnccc2c1 Amb33483684 [1,1,0,0,0,0|2,0,0]=4 2681 B13R2.328 Oc1cc(Br)c2ncccc2c1 Amb22752323 [1,1,0,0,0,0|2,0,0]=4 2682 B13R2.328 Oc1cc(Br)cc2ccccc12 Amb17596075 [1,1,0,0,0,0|2,0,0]=4 2683 B13R2.328 Oc1cc(Br)nc2ccccc12 Amb22500448 [1,1,0,0,0,0|2,0,0]=4 2684 B13R2.328 Oc1cc(Cl)c2ncccc2c1 Amb27217259 [1,1,0,0,0,0|2,0,0]=4 2685 B13R2.328 Oc1cc(Cl)cc2ccccc12 Amb17594569 [1,1,0,0,0,0|2,0,0]=4 2686 B13R2.328 Oc1cc(Cl)nc2ccccc12 Amb19957815 [1,1,0,0,0,0|2,0,0]=4 2687 B13R2.328 Oc1cc(F)c2ccccc2c1 Amb26843113 [1,1,0,0,0,0|1,0,0]=3 2688 B13R2.328 Oc1cc(F)c2cccnc2c1 Amb27616737 [1,1,0,0,0,0|2,0,0]=4 2689 B13R2.328 Oc1cc(F)cc2ccccc12 Amb26966920 [1,1,0,0,0,0|2,0,0]=4 2690 B13R2.328 Oc1cc(F)nc2ccccc12 Amb26944759 [1,1,0,0,0,0|2,0,0]=4 2691 B13R2.328 Oc1cc(I)c2ccccc2c1 Amb26850789 [1,1,0,0,0,0|1,0,0]=3 2692 B13R2.328 Oc1cc(I)c2cccnc2c1 Amb25729835 [1,1,0,0,0,0|2,0,0]=4 2693 B13R2.328 Oc1cc(I)c2ncccc2c1 Amb23437340 [1,1,0,0,0,0|2,0,0]=4 2694 B13R2.328 Oc1cc(I)cc2ccccc12 Amb27260646 [1,1,0,0,0,0|2,0,0]=4 2695 B13R2.328 Oc1cc(O)c2ccccc2c1 Amb6357421 [1,1,0,0,0,0|1,0,0]=3 2696 B13R2.328 Oc1cc(O)c2ccccc2n1 Amb1104174 [1,1,0,0,0,0|1,0,1]=4 2697 B13R2.328 Oc1cc(O)c2cccnc2c1 Amb24484214 [1,1,0,0,0,0|2,0,0]=4 2698 B13R2.328 Oc1cc(O)c2ncccc2c1 Amb8559059 [1,1,0,0,0,0|2,0,0]=4 2699 B13R2.328 S=C1C=C(S)Oc2ccccc21 Amb28455804 [1,1,0,0,0,0|0,1,0]=3 2700 B13R2.328 [NH-][n+]1cc(Br)cc2ccccc21 Amb24110830 [1,1,0,0,0,0|2,0,0]=4 2701 B13R2.328 [O-][n+]1cc(Br)cc2ccccc21 Amb2610670 [1,1,0,0,0,0|2,0,0]=4 2702 B13R2.328 [O-][n+]1cc(F)cc2ccccc21 Amb27668932 [1,1,0,0,0,0|2,0,0]=4 2703 B13R2.328 [O-][n+]1cc(O)cc2ccccc21 Amb25873892 [1,1,0,0,0,0|1,0,0]=3 2704 B13R2.328 [O-][n+]1cc(O)nc2ccccc21 Amb17594025 [1,1,0,0,0,0|2,0,0]=4 2705 B13R2.3683 Brc1ccc2cc(Br)ccc2c1 Amb4317505 [1,1,0,0,0,0|2,0,0]=4 2706 B13R2.3683 Brc1ccc2cc(I)ccc2c1 Amb21858593 [1,1,0,0,0,0|2,0,0]=4 2707 B13R2.3683 Brc1ccc2cc(I)cnc2c1 Amb28124716 [1,1,0,0,0,0|2,0,0]=4 2708 B13R2.3683 Brc1ccc2nc(Br)ccc2c1 Amb22263970 [1,1,0,0,0,0|2,0,0]=4 2709 B13R2.3683 Brc1cnc2cc(Br)ccc2c1 Amb22495197 [1,1,0,0,0,0|2,0,0]=4 2710 B13R2.3683 Brc1cnc2cc(I)ccc2c1 Amb26893802 [1,1,0,0,0,0|2,0,0]=4 2711 B13R2.3683 CC1=CC2=CNC(=O)C=C2C=C1 Amb26015179 [1,1,0,0,0,0|2,0,0]=4 2712 B13R2.3683 Cc1cc2ccc(O)cc2cn1 Amb18645159 [1,1,0,0,0,0|2,0,0]=4 2713 B13R2.3683 Cc1ccc2c(c1)C=CC(=O)N2 Amb18546035 [1,1,0,0,0,0|1,0,0]=3 2714 B13R2.3683 Cc1ccc2c(c1)C=CC(=O)O2 Amb18511482 [1,1,0,0,0,0|0,0,0]=2 2715 B13R2.3683 Cc1ccc2c(c1)C=NC(=O)N2 Amb24741810 [1,1,0,0,0,0|2,0,0]=4 2716 B13R2.3683 Cc1ccc2c(c1)CCC(=O)O2 Amb21928518 [1,1,0,0,0,0|0,0,2]=4 2717 B13R2.3683 Cc1ccc2c(c1)COC(=O)O2 Amb28208598 [1,1,0,0,0,0|1,0,1]=4 2718 B13R2.3683 Cc1ccc2cc(Br)ccc2n1 Amb2685485 [1,1,0,0,0,0|2,0,0]=4 2719 B13R2.3683 Cc1ccc2cc(Br)cnc2c1 Amb28288254 [1,1,0,0,0,0|2,0,0]=4 2720 B13R2.3683 Cc1ccc2cc(C)ccc2c1 Amb6297769 [1,1,0,0,0,0|2,0,0]=4 2721 B13R2.3683 Cc1ccc2cc(Cl)ccc2c1 Amb27490799 [1,1,0,0,0,0|2,0,0]=4 2722 B13R2.3683 Cc1ccc2cc(Cl)ccc2n1 Amb2686458 [1,1,0,0,0,0|2,0,0]=4 2723 B13R2.3683 Cc1ccc2cc(F)ccc2c1 Amb2725263 [1,1,0,0,0,0|2,0,0]=4 2724 B13R2.3683 Cc1ccc2cc(F)ccc2n1 Amb2688236 [1,1,0,0,0,0|2,0,0]=4 2725 B13R2.3683 Cc1ccc2cc(I)ccc2c1 Amb26517135 [1,1,0,0,0,0|2,0,0]=4 2726 B13R2.3683 Cc1ccc2cc(I)ccc2n1 Amb17586361 [1,1,0,0,0,0|2,0,0]=4 2727 B13R2.3683 Cc1ccc2cc(N)ccc2c1 Amb22490950 [1,1,0,0,0,0|2,0,0]=4 2728 B13R2.3683 Cc1ccc2cc(N)ccc2n1 Amb1034891 [1,1,0,0,0,0|2,0,0]=4 2729 B13R2.3683 Cc1ccc2cc(N)cnc2c1 Amb20239508 [1,1,0,0,0,0|2,0,0]=4 2730 B13R2.3683 Cc1ccc2cc(N)cnc2c1 Amb25233126 [1,1,0,0,0,0|2,0,0]=4 2731 B13R2.3683 Cc1ccc2cc(O)ccc2c1 Amb21964548 [1,1,0,0,0,0|1,0,0]=3 2732 B13R2.3683 Cc1ccc2cc(O)ccc2n1 Amb3319419 [1,1,0,0,0,0|2,0,0]=4 2733 B13R2.3683 Cc1ccc2cc(O)cnc2c1 Amb24407164 [1,1,0,0,0,0|1,0,0]=3 2734 B13R2.3683 Cc1ccc2cc(S)ccc2n1 Amb28256298 [1,1,0,0,0,0|2,0,0]=4 2735 B13R2.3683 Cc1ccc2nc(Br)ccc2c1 Amb2610689 [1,1,0,0,0,0|2,0,0]=4 2736 B13R2.3683 Cc1ccc2nc(C)ccc2c1 Amb1152516 [1,1,0,0,0,0|2,0,0]=4 2737 B13R2.3683 Cc1ccc2nc(Cl)ccc2c1 Amb5718537 [1,1,0,0,0,0|2,0,0]=4 2738 B13R2.3683 Cc1ccc2nc(N)ccc2c1 Amb8386595 [1,1,0,0,0,0|2,0,0]=4 2739 B13R2.3683 Cc1ccc2nc(S)ccc2c1 Amb23536152 [1,1,0,0,0,0|1,1,0]=4 2740 B13R2.3683 Cc1cnc2cc(Br)ccc2c1 Amb24368689 [1,1,0,0,0,0|2,0,0]=4 2741 B13R2.3683 Cc1cnc2cc(C)ccc2c1 Amb17334417 [1,1,0,0,0,0|2,0,0]=4 2742 B13R2.3683 Cc1cnc2cc(F)ccc2c1 Amb24358980 [1,1,0,0,0,0|2,0,0]=4 2743 B13R2.3683 Cc1cnc2cc(N)ccc2c1 Amb30594180 [1,1,0,0,0,0|2,0,0]=4 2744 B13R2.3683 Cc1cnc2cc(O)ccc2c1 Amb25046100 [1,1,0,0,0,0|2,0,0]=4 2745 B13R2.3683 Clc1ccc2cc(Br)ccc2c1 Amb22054542 [1,1,0,0,0,0|2,0,0]=4 2746 B13R2.3683 Clc1ccc2cc(Br)ccc2n1 Amb4449864 [1,1,0,0,0,0|2,0,0]=4 2747 B13R2.3683 Clc1ccc2cc(Br)cnc2c1 Amb21856471 [1,1,0,0,0,0|2,0,0]=4 2748 B13R2.3683 Clc1ccc2cc(Cl)ccc2c1 Amb4021784 [1,1,0,0,0,0|2,0,0]=4 2749 B13R2.3683 Clc1ccc2cc(I)ccc2c1 Amb24594378 [1,1,0,0,0,0|2,0,0]=4 2750 B13R2.3683 Clc1ccc2cc(I)ccc2n1 Amb4449865 [1,1,0,0,0,0|2,0,0]=4 2751 B13R2.3683 Clc1ccc2nc(Cl)ccc2c1 Amb4449863 [1,1,0,0,0,0|2,0,0]=4 2752 B13R2.3683 Clc1cnc2cc(Br)ccc2c1 Amb21858959 [1,1,0,0,0,0|2,0,0]=4 2753 B13R2.3683 Clc1cnc2cc(Cl)ccc2c1 Amb22055067 [1,1,0,0,0,0|2,0,0]=4 2754 B13R2.3683 Fc1ccc2cc(Br)ccc2c1 Amb16231048 [1,1,0,0,0,0|2,0,0]=4 2755 B13R2.3683 Fc1ccc2cc(Br)ccc2n1 Amb31289575 [1,1,0,0,0,0|2,0,0]=4 2756 B13R2.3683 Fc1ccc2cc(Br)cnc2c1 Amb22899304 [1,1,0,0,0,0|2,0,0]=4 2757 B13R2.3683 Fc1ccc2cc(Cl)ccc2c1 Amb24707840 [1,1,0,0,0,0|2,0,0]=4 2758 B13R2.3683 Fc1ccc2cc(Cl)ccc2n1 Amb27200639 [1,1,0,0,0,0|2,0,0]=4 2759 B13R2.3683 Fc1ccc2cc(F)ccc2c1 Amb26967084 [1,1,0,0,0,0|2,0,0]=4 2760 B13R2.3683 Fc1ccc2cc(I)ccc2c1 Amb24743550 [1,1,0,0,0,0|2,0,0]=4 2761 B13R2.3683 Fc1ccc2cc(I)cnc2c1 Amb24183792 [1,1,0,0,0,0|2,0,0]=4 2762 B13R2.3683 Fc1ccc2nc(Br)ccc2c1 Amb23448576 [1,1,0,0,0,0|2,0,0]=4 2763 B13R2.3683 Fc1ccc2nc(Cl)ccc2c1 Amb20171071 [1,1,0,0,0,0|2,0,0]=4 2764 B13R2.3683 Fc1ccc2nc(S)ccc2c1 Amb23536133 [1,1,0,0,0,0|1,1,0]=4 2765 B13R2.3683 Fc1cnc2cc(Br)ccc2c1 Amb22899360 [1,1,0,0,0,0|2,0,0]=4 2766 B13R2.3683 Ic1ccc2cc(I)ccc2c1 Amb25148656 [1,1,0,0,0,0|2,0,0]=4 2767 B13R2.3683 Nc1ccc2c(c1)C=CC(=O)N2 Amb18545101 [1,1,0,0,0,0|1,0,0]=3 2768 B13R2.3683 Nc1ccc2c(c1)C=CC(=O)O2 Amb18943698 [1,1,0,0,0,0|0,0,0]=2 2769 B13R2.3683 Nc1ccc2c(c1)C=CC(=O)O2 Amb22732663 [1,1,0,0,0,0|0,0,0]=2 2770 B13R2.3683 Nc1ccc2c(c1)C=CC(=O)S2 Amb18825000 [1,1,0,0,0,0|0,1,0]=3 2771 B13R2.3683 Nc1ccc2c(c1)CNC(=O)O2 Amb28054876 [1,1,0,0,0,0|1,0,1]=4 2772 B13R2.3683 Nc1ccc2c(c1)N=CC(=O)N2 Amb22233899 [1,1,0,0,0,0|2,0,0]=4 2773 B13R2.3683 Nc1ccc2cc(Br)ccc2c1 Amb1348322 [1,1,0,0,0,0|2,0,0]=4 2774 B13R2.3683 Nc1ccc2cc(Br)ccc2c1 Amb22234013 [1,1,0,0,0,0|2,0,0]=4 2775 B13R2.3683 Nc1ccc2cc(Br)ccc2n1 Amb33545190 [1,1,0,0,0,0|2,0,0]=4 2776 B13R2.3683 Nc1ccc2cc(Br)ccc2n1 Amb9134114 [1,1,0,0,0,0|2,0,0]=4 2777 B13R2.3683 Nc1ccc2cc(Br)cnc2c1 Amb22899267 [1,1,0,0,0,0|2,0,0]=4 2778 B13R2.3683 Nc1ccc2cc(Cl)ccc2c1 Amb17594516 [1,1,0,0,0,0|2,0,0]=4 2779 B13R2.3683 Nc1ccc2cc(Cl)ccc2n1 Amb8386594 [1,1,0,0,0,0|2,0,0]=4 2780 B13R2.3683 Nc1ccc2cc(Cl)cnc2c1 Amb22899380 [1,1,0,0,0,0|2,0,0]=4 2781 B13R2.3683 Nc1ccc2cc(F)ccc2c1 Amb22234014 [1,1,0,0,0,0|2,0,0]=4 2782 B13R2.3683 Nc1ccc2cc(F)ccc2n1 Amb8386593 [1,1,0,0,0,0|2,0,0]=4 2783 B13R2.3683 Nc1ccc2cc(F)cnc2c1 Amb22899379 [1,1,0,0,0,0|2,0,0]=4 2784 B13R2.3683 Nc1ccc2cc(I)ccc2c1 Amb25309310 [1,1,0,0,0,0|2,0,0]=4 2785 B13R2.3683 Nc1ccc2cc(N)ccc2c1 Amb17843067 [1,1,0,0,0,0|2,0,0]=4 2786 B13R2.3683 Nc1ccc2cc(O)ccc2c1 Amb17843066 [1,1,0,0,0,0|1,0,0]=3 2787 B13R2.3683 Nc1ccc2cc(O)cnc2c1 Amb22899407 [1,1,0,0,0,0|1,0,0]=3 2788 B13R2.3683 Nc1ccc2cc(O)ncc2c1 Amb22735997 [1,1,0,0,0,0|2,0,0]=4 2789 B13R2.3683 Nc1ccc2cc(S)ccc2c1 Amb18647917 [1,1,0,0,0,0|1,1,0]=4 2790 B13R2.3683 Nc1ccc2nc(Cl)ccc2c1 Amb21963603 [1,1,0,0,0,0|2,0,0]=4 2791 B13R2.3683 Nc1ccc2nc(F)ccc2c1 Amb33035701 [1,1,0,0,0,0|2,0,0]=4 2792 B13R2.3683 Nc1ccc2nc(N)ccc2c1 Amb9310332 [1,1,0,0,0,0|2,0,0]=4 2793 B13R2.3683 Nc1ccc2nc(O)ccc2c1 Amb9310455 [1,1,0,0,0,0|1,0,1]=4 2794 B13R2.3683 Nc1ccc2nc(S)ccc2c1 Amb33529206 [1,1,0,0,0,0|1,1,0]=4 2795 B13R2.3683 Nc1cnc2cc(Br)ccc2c1 Amb17621718 [1,1,0,0,0,0|2,0,0]=4 2796 B13R2.3683 Nc1cnc2cc(Br)ccc2c1 Amb22235016 [1,1,0,0,0,0|2,0,0]=4 2797 B13R2.3683 Nc1cnc2cc(Cl)ccc2c1 Amb19889367 [1,1,0,0,0,0|2,0,0]=4 2798 B13R2.3683 Nc1cnc2cc(F)ccc2c1 Amb17621722 [1,1,0,0,0,0|2,0,0]=4 2799 B13R2.3683 Nc1cnc2cc(F)ccc2c1 Amb22899303 [1,1,0,0,0,0|2,0,0]=4 2800 B13R2.3683 Nc1cnc2cc(O)ccc2c1 Amb27590358 [1,1,0,0,0,0|2,0,0]=4 2801 B13R2.3683 O=C1C=C2C=CC(Cl)=CC2=CN1 Amb22491672 [1,1,0,0,0,0|2,0,0]=4 2802 B13R2.3683 O=C1C=CC2=CC(=O)C=CC2=C1 Amb17778320 [1,1,0,0,0,0|1,0,0]=3 2803 B13R2.3683 O=C1C=Cc2cc(Br)ccc2N1 Amb17933294 [1,1,0,0,0,0|1,0,0]=3 2804 B13R2.3683 O=C1C=Cc2cc(Br)ccc2O1 Amb19957650 [1,1,0,0,0,0|0,0,0]=2 2805 B13R2.3683 O=C1C=Cc2cc(Br)cnc2N1 Amb19664780 [1,1,0,0,0,0|2,0,0]=4 2806 B13R2.3683 O=C1C=Cc2cc(Cl)ccc2N1 Amb18044542 [1,1,0,0,0,0|1,0,0]=3 2807 B13R2.3683 O=C1C=Cc2cc(Cl)cnc2N1 Amb19959273 [1,1,0,0,0,0|2,0,0]=4 2808 B13R2.3683 O=C1C=Cc2cc(Cl)ncc2N1 Amb22002290 [1,1,0,0,0,0|2,0,0]=4 2809 B13R2.3683 O=C1C=Cc2cc(F)ccc2N1 Amb17933800 [1,1,0,0,0,0|1,0,0]=3 2810 B13R2.3683 O=C1C=Cc2cc(I)ccc2O1 Amb27462170 [1,1,0,0,0,0|0,0,0]=2 2811 B13R2.3683 O=C1C=Cc2cc(O)ccc2N1 Amb18645437 [1,1,0,0,0,0|1,0,0]=3 2812 B13R2.3683 O=C1C=Cc2cc(O)ccc2O1 Amb18511478 [1,1,0,0,0,0|0,0,0]=2 2813 B13R2.3683 O=C1C=Cc2cc(O)ccc2S1 Amb28253939 [1,1,0,0,0,0|0,1,0]=3 2814 B13R2.3683 O=C1C=Cc2nc(Br)ccc2N1 Amb28399578 [1,1,0,0,0,0|2,0,0]=4 2815 B13R2.3683 O=C1C=Cc2nc(Cl)ccc2N1 Amb24717025 [1,1,0,0,0,0|2,0,0]=4 2816 B13R2.3683 O=C1C=Nc2cc(Br)ccc2N1 Amb20241318 [1,1,0,0,0,0|2,0,0]=4 2817 B13R2.3683 O=C1C=Nc2cc(Cl)ccc2N1 Amb19957505 [1,1,0,0,0,0|2,0,0]=4 2818 B13R2.3683 O=C1C=Nc2cc(F)ccc2N1 Amb19957557 [1,1,0,0,0,0|2,0,0]=4 2819 B13R2.3683 O=C1CCc2cc(Br)ccc2O1 Amb10603027 [1,1,0,0,0,0|0,0,2]=4 2820 B13R2.3683 O=C1CCc2cc(I)ccc2O1 Amb27616956 [1,1,0,0,0,0|0,0,2]=4 2821 B13R2.3683 O=C1CCc2cc(O)ccc2O1 Amb24097420 [1,1,0,0,0,0|0,0,2]=4 2822 B13R2.3683 O=C1CNc2cc(F)ccc2O1 Amb27791254 [1,1,0,0,0,0|1,0,1]=4 2823 B13R2.3683 O=C1CSc2cc(O)ccc2O1 Amb2667797 [1,1,0,0,0,0|1,0,1]=4 2824 B13R2.3683 O=C1N=Cc2cc(Br)ccc2N1 Amb21858215 [1,1,0,0,0,0|2,0,0]=4 2825 B13R2.3683 O=C1NCc2cc(Br)ccc2O1 Amb21858217 [1,1,0,0,0,0|1,0,1]=4 2826 B13R2.3683 O=C1NCc2cc(O)ccc2O1 Amb28140847 [1,1,0,0,0,0|1,0,1]=4 2827 B13R2.3683 O=C1OCc2cc(Br)ccc2O1 Amb32698536 [1,1,0,0,0,0|1,0,1]=4 2828 B13R2.3683 O=C1OCc2cc(Cl)ccc2O1 Amb32698537 [1,1,0,0,0,0|1,0,1]=4 2829 B13R2.3683 O=C1OCc2cc(F)ccc2O1 Amb27816763 [1,1,0,0,0,0|1,0,1]=4 2830 B13R2.3683 Oc1cc2ccc(Br)cc2cn1 Amb16185814 [1,1,0,0,0,0|2,0,0]=4 2831 B13R2.3683 Oc1cc2ccc(Br)cc2nn1 Amb22499432 [1,1,0,0,0,0|2,0,0]=4 2832 B13R2.3683 Oc1cc2ccc(F)cc2cn1 Amb25127158 [1,1,0,0,0,0|2,0,0]=4 2833 B13R2.3683 Oc1ccc2c(c1)C=CC(=S)O2 Amb28054363 [1,1,0,0,0,0|0,1,0]=3 2834 B13R2.3683 Oc1ccc2cc(Br)ccc2c1 Amb1333685 [1,1,0,0,0,0|1,0,0]=3 2835 B13R2.3683 Oc1ccc2cc(Br)ccc2n1 Amb1994326 [1,1,0,0,0,0|1,0,1]=4 2836 B13R2.3683 Oc1ccc2cc(Br)cnc2c1 Amb22491312 [1,1,0,0,0,0|2,0,0]=4 2837 B13R2.3683 Oc1ccc2cc(Cl)ccc2c1 Amb17777189 [1,1,0,0,0,0|1,0,0]=3 2838 B13R2.3683 Oc1ccc2cc(Cl)cnc2c1 Amb22494665 [1,1,0,0,0,0|2,0,0]=4 2839 B13R2.3683 Oc1ccc2cc(Cl)ncc2c1 Amb22735857 [1,1,0,0,0,0|2,0,0]=4 2840 B13R2.3683 Oc1ccc2cc(F)ccc2c1 Amb22751763 [1,1,0,0,0,0|1,0,0]=3 2841 B13R2.3683 Oc1ccc2cc(F)cnc2c1 Amb24102179 [1,1,0,0,0,0|2,0,0]=4 2842 B13R2.3683 Oc1ccc2cc(I)ccc2c1 Amb25669689 [1,1,0,0,0,0|1,0,0]=3 2843 B13R2.3683 Oc1ccc2cc(I)ccc2n1 Amb19958372 [1,1,0,0,0,0|1,0,1]=4 2844 B13R2.3683 Oc1ccc2cc(I)cnc2c1 Amb22494874 [1,1,0,0,0,0|2,0,0]=4 2845 B13R2.3683 Oc1ccc2cc(O)ccc2c1 Amb2708568 [1,1,0,0,0,0|1,0,0]=3 2846 B13R2.3683 Oc1ccc2cc(S)ccc2c1 Amb17594487 [1,1,0,0,0,0|1,0,0]=3 2847 B13R2.3683 Oc1ccc2nc(Br)ccc2c1 Amb22501097 [1,1,0,0,0,0|2,0,0]=4 2848 B13R2.3683 Oc1ccc2nc(Cl)ccc2c1 Amb21856139 [1,1,0,0,0,0|2,0,0]=4 2849 B13R2.3683 Oc1ccc2nc(F)ccc2c1 Amb26494930 [1,1,0,0,0,0|2,0,0]=4 2850 B13R2.3683 Oc1ccc2nc(I)ccc2c1 Amb26370795 [1,1,0,0,0,0|2,0,0]=4 2851 B13R2.3683 Oc1ccc2nc(O)ccc2c1 Amb9825996 [1,1,0,0,0,0|1,0,1]=4 2852 B13R2.3683 Oc1cnc2cc(Br)ccc2c1 Amb22494957 [1,1,0,0,0,0|1,0,0]=3 2853 B13R2.3683 Oc1cnc2cc(Br)ccc2n1 Amb18659002 [1,1,0,0,0,0|2,0,0]=4 2854 B13R2.3683 Oc1cnc2cc(Br)cnc2c1 Amb31291388 [1,1,0,0,0,0|2,0,0]=4 2855 B13R2.3683 Oc1cnc2cc(Cl)ccc2c1 Amb24183780 [1,1,0,0,0,0|1,0,0]=3 2856 B13R2.3683 Oc1cnc2cc(Cl)cnc2c1 Amb31291392 [1,1,0,0,0,0|2,0,0]=4 2857 B13R2.3683 Oc1cnc2cc(F)ccc2c1 Amb24183788 [1,1,0,0,0,0|1,0,0]=3 2858 B13R2.3683 Oc1cnc2cc(F)cnc2c1 Amb31291393 [1,1,0,0,0,0|2,0,0]=4 2859 B13R2.3683 Oc1cnc2cc(I)ccc2c1 Amb25883423 [1,1,0,0,0,0|1,0,0]=3 2860 B13R2.3683 Oc1cnc2cc(O)ccc2c1 Amb27214209 [1,1,0,0,0,0|1,0,0]=3 2861 B13R2.3683 Sc1ccc2cc(Br)ccc2n1 Amb23536160 [1,1,0,0,0,0|1,1,0]=4 2862 B13R2.3683 Sc1ccc2cc(Cl)ccc2n1 Amb23536156 [1,1,0,0,0,0|1,1,0]=4 2863 B13R2.3683 Sc1ccc2cc(S)ccc2c1 Amb21954243 [1,1,0,0,0,0|1,1,0]=4 2864 B13R2.3683 [NH3+]c1ccc2c(c1)C=CC(=O)O2 Amb24113859 [1,1,0,0,0,0|0,0,0]=2 2865 B13R2.5179 Brc1ccc2c(Br)cccc2c1 Amb22899601 [1,1,0,0,0,0|2,0,0]=4 2866 B13R2.5179 Brc1ccc2c(Br)cccc2n1 Amb22371944 [1,1,0,0,0,0|2,0,0]=4 2867 B13R2.5179 Brc1cccc2cc(I)ccc12 Amb28072559 [1,1,0,0,0,0|2,0,0]=4 2868 B13R2.5179 Brc1cccc2cc(I)cnc12 Amb22170457 [1,1,0,0,0,0|2,0,0]=4 2869 B13R2.5179 Brc1cnc2c(Br)cccc2c1 Amb27755703 [1,1,0,0,0,0|2,0,0]=4 2870 B13R2.5179 Brc1cnc2c(I)cccc2c1 Amb22584153 [1,1,0,0,0,0|2,0,0]=4 2871 B13R2.5179 CC1=C2C=CC(=O)N=C2C=CN1 Amb27394949 [1,1,0,0,0,0|2,0,0]=4 2872 B13R2.5179 CC1=CC=CC2=CC(=O)NC=C12 Amb22011731 [1,1,0,0,0,0|2,0,0]=4 2873 B13R2.5179 CC1=CC=CC2=NC(=O)C=CN12 Amb22411657 [1,1,0,0,0,0|2,0,0]=4 2874 B13R2.5179 CC1=COc2c(N)cccc2O1 Amb17570074 [1,1,0,0,0,0|2,0,0]=4 2875 B13R2.5179 C[n+]1cccc2cc(O)ccc21 Amb27261951 [1,1,0,0,0,0|2,0,0]=4 2876 B13R2.5179 Cc1ccc2c(Br)cccc2c1 Amb26921428 [1,1,0,0,0,0|2,0,0]=4 2877 B13R2.5179 Cc1ccc2c(Br)cccc2n1 Amb21857879 [1,1,0,0,0,0|2,0,0]=4 2878 B13R2.5179 Cc1ccc2c(C)cccc2c1 Amb6296605 [1,1,0,0,0,0|2,0,0]=4 2879 B13R2.5179 Cc1ccc2c(C)cccc2n1 Amb21858709 [1,1,0,0,0,0|2,0,0]=4 2880 B13R2.5179 Cc1ccc2c(Cl)cccc2c1 Amb27632327 [1,1,0,0,0,0|2,0,0]=4 2881 B13R2.5179 Cc1ccc2c(Cl)cccc2n1 Amb8390716 [1,1,0,0,0,0|2,0,0]=4 2882 B13R2.5179 Cc1ccc2c(F)cccc2c1 Amb25760151 [1,1,0,0,0,0|2,0,0]=4 2883 B13R2.5179 Cc1ccc2c(I)cccc2c1 Amb26849069 [1,1,0,0,0,0|2,0,0]=4 2884 B13R2.5179 Cc1ccc2c(N)cccc2c1 Amb17593939 [1,1,0,0,0,0|2,0,0]=4 2885 B13R2.5179 Cc1ccc2c(N)cccc2n1 Amb6355822 [1,1,0,0,0,0|2,0,0]=4 2886 B13R2.5179 Cc1ccc2c(O)cccc2c1 Amb18559380 [1,1,0,0,0,0|2,0,0]=4 2887 B13R2.5179 Cc1ccc2c(O)cccc2n1 Amb18353422 [1,1,0,0,0,0|2,0,0]=4 2888 B13R2.5179 Cc1cccc2c1C=CC(=O)O2 Amb27449737 [1,1,0,0,0,0|0,0,0]=2 2889 B13R2.5179 Cc1cccc2cc(Br)ccc12 Amb26057223 [1,1,0,0,0,0|2,0,0]=4 2890 B13R2.5179 Cc1cccc2cc(Br)cnc12 Amb25152656 [1,1,0,0,0,0|2,0,0]=4 2891 B13R2.5179 Cc1cccc2cc(F)ccc12 Amb26879845 [1,1,0,0,0,0|2,0,0]=4 2892 B13R2.5179 Cc1cccc2cc(I)ccc12 Amb27623183 [1,1,0,0,0,0|2,0,0]=4 2893 B13R2.5179 Cc1cccc2cc(I)cnc12 Amb26605053 [1,1,0,0,0,0|2,0,0]=4 2894 B13R2.5179 Cc1cccc2cc(N)ccc12 Amb22751120 [1,1,0,0,0,0|2,0,0]=4 2895 B13R2.5179 Cc1cccc2cc(N)cnc12 Amb17157128 [1,1,0,0,0,0|2,0,0]=4 2896 B13R2.5179 Cc1cccc2cc(O)cnc12 Amb27878570 [1,1,0,0,0,0|1,0,0]=3 2897 B13R2.5179 Cc1cccc2nc(Br)ccc12 Amb23448578 [1,1,0,0,0,0|2,0,0]=4 2898 B13R2.5179 Cc1cccc2nc(N)ccc12 Amb32669209 [1,1,0,0,0,0|2,0,0]=4 2899 B13R2.5179 Cc1ccnc2c1C=CC(=O)N2 Amb27243880 [1,1,0,0,0,0|2,0,0]=4 2900 B13R2.5179 Cc1ccnc2cc(O)ccc12 Amb18645155 [1,1,0,0,0,0|2,0,0]=4 2901 B13R2.5179 Cc1cnc2c(Br)cccc2c1 Amb28244065 [1,1,0,0,0,0|2,0,0]=4 2902 B13R2.5179 Cc1cnc2c(C)cccc2c1 Amb17334416 [1,1,0,0,0,0|2,0,0]=4 2903 B13R2.5179 Cc1cnc2c(N)cccc2c1 Amb22899667 [1,1,0,0,0,0|2,0,0]=4 2904 B13R2.5179 Cc1cnc2c(O)cccc2c1 Amb22750809 [1,1,0,0,0,0|2,0,0]=4 2905 B13R2.5179 Cc1cnc2c(S)cccc2c1 Amb27441552 [1,1,0,0,0,0|2,0,0]=4 2906 B13R2.5179 Cc1nccc2c1C=CC(=O)N2 Amb21927041 [1,1,0,0,0,0|2,0,0]=4 2907 B13R2.5179 Cc1nccc2cc(O)ccc12 Amb26842551 [1,1,0,0,0,0|2,0,0]=4 2908 B13R2.5179 Clc1ccc2c(Br)cccc2c1 Amb25865332 [1,1,0,0,0,0|2,0,0]=4 2909 B13R2.5179 Clc1ccc2c(Br)cccc2n1 Amb1994308 [1,1,0,0,0,0|2,0,0]=4 2910 B13R2.5179 Clc1ccc2c(Cl)cccc2c1 Amb26360398 [1,1,0,0,0,0|2,0,0]=4 2911 B13R2.5179 Clc1ccc2c(Cl)cccc2n1 Amb33542871 [1,1,0,0,0,0|2,0,0]=4 2912 B13R2.5179 Clc1ccc2c(I)cccc2c1 Amb25743943 [1,1,0,0,0,0|2,0,0]=4 2913 B13R2.5179 Clc1ccc2c(I)cccc2n1 Amb10601553 [1,1,0,0,0,0|2,0,0]=4 2914 B13R2.5179 Clc1cccc2cc(Br)ccc12 Amb26372387 [1,1,0,0,0,0|2,0,0]=4 2915 B13R2.5179 Clc1cccc2cc(Br)cnc12 Amb24183732 [1,1,0,0,0,0|2,0,0]=4 2916 B13R2.5179 Clc1cccc2cc(I)ccc12 Amb25148787 [1,1,0,0,0,0|2,0,0]=4 2917 B13R2.5179 Clc1cccc2cc(I)cnc12 Amb19515722 [1,1,0,0,0,0|2,0,0]=4 2918 B13R2.5179 Clc1cccc2nc(Br)ccc12 Amb23448581 [1,1,0,0,0,0|2,0,0]=4 2919 B13R2.5179 Fc1ccc2c(Br)cccc2c1 Amb27816933 [1,1,0,0,0,0|2,0,0]=4 2920 B13R2.5179 Fc1ccc2c(Cl)cccc2c1 Amb25360850 [1,1,0,0,0,0|2,0,0]=4 2921 B13R2.5179 Fc1ccc2c(I)cccc2c1 Amb25063229 [1,1,0,0,0,0|2,0,0]=4 2922 B13R2.5179 Fc1cccc2cc(Br)cnc12 Amb22899268 [1,1,0,0,0,0|2,0,0]=4 2923 B13R2.5179 Fc1cccc2cc(Cl)ccc12 Amb26590969 [1,1,0,0,0,0|2,0,0]=4 2924 B13R2.5179 Fc1cccc2cc(I)ccc12 Amb26517149 [1,1,0,0,0,0|2,0,0]=4 2925 B13R2.5179 Fc1cccc2cc(I)cnc12 Amb17933793 [1,1,0,0,0,0|2,0,0]=4 2926 B13R2.5179 Fc1cccc2nc(Cl)ccc12 Amb23401568 [1,1,0,0,0,0|2,0,0]=4 2927 B13R2.5179 Fc1cnc2c(Br)cccc2c1 Amb22547350 [1,1,0,0,0,0|2,0,0]=4 2928 B13R2.5179 Fc1cnc2c(F)cccc2c1 Amb28369998 [1,1,0,0,0,0|2,0,0]=4 2929 B13R2.5179 Ic1ccc2c(I)cccc2c1 Amb24448388 [1,1,0,0,0,0|2,0,0]=4 2930 B13R2.5179 Nc1ccc2c(Br)cccc2c1 Amb17596045 [1,1,0,0,0,0|2,0,0]=4 2931 B13R2.5179 Nc1ccc2c(Br)cccc2n1 Amb22751754 [1,1,0,0,0,0|2,0,0]=4 2932 B13R2.5179 Nc1ccc2c(Cl)cccc2c1 Amb17594517 [1,1,0,0,0,0|2,0,0]=4 2933 B13R2.5179 Nc1ccc2c(Cl)cccc2n1 Amb18648194 [1,1,0,0,0,0|2,0,0]=4 2934 B13R2.5179 Nc1ccc2c(F)cccc2c1 Amb26980785 [1,1,0,0,0,0|2,0,0]=4 2935 B13R2.5179 Nc1ccc2c(F)cccc2n1 Amb33070917 [1,1,0,0,0,0|2,0,0]=4 2936 B13R2.5179 Nc1ccc2c(I)cccc2c1 Amb27462216 [1,1,0,0,0,0|2,0,0]=4 2937 B13R2.5179 Nc1ccc2c(N)cccc2c1 Amb17593962 [1,1,0,0,0,0|2,0,0]=4 2938 B13R2.5179 Nc1ccc2c(N)cccc2c1 Amb33611679 [1,1,0,0,0,0|2,0,0]=4 2939 B13R2.5179 Nc1ccc2c(O)cccc2c1 Amb2684495 [1,1,0,0,0,0|2,0,0]=4 2940 B13R2.5179 Nc1ccc2c(O)cccc2n1 Amb24485546 [1,1,0,0,0,0|2,0,0]=4 2941 B13R2.5179 Nc1cccc2c1C=CC(=O)N2 Amb22500953 [1,1,0,0,0,0|1,0,0]=3 2942 B13R2.5179 Nc1cccc2c1COC(=O)O2 Amb27864251 [1,1,0,0,0,0|1,0,1]=4 2943 B13R2.5179 Nc1cccc2cc(Br)ccc12 Amb25073486 [1,1,0,0,0,0|2,0,0]=4 2944 B13R2.5179 Nc1cccc2cc(Br)cnc12 Amb21962760 [1,1,0,0,0,0|2,0,0]=4 2945 B13R2.5179 Nc1cccc2cc(Cl)ccc12 Amb17594521 [1,1,0,0,0,0|2,0,0]=4 2946 B13R2.5179 Nc1cccc2cc(Cl)cnc12 Amb22584113 [1,1,0,0,0,0|2,0,0]=4 2947 B13R2.5179 Nc1cccc2cc(F)ccc12 Amb22497264 [1,1,0,0,0,0|2,0,0]=4 2948 B13R2.5179 Nc1cccc2cc(F)ccc12 Amb31156387 [1,1,0,0,0,0|2,0,0]=4 2949 B13R2.5179 Nc1cccc2cc(F)cnc12 Amb22899387 [1,1,0,0,0,0|2,0,0]=4 2950 B13R2.5179 Nc1cccc2cc(I)ccc12 Amb24410696 [1,1,0,0,0,0|2,0,0]=4 2951 B13R2.5179 Nc1cccc2cc(I)cnc12 Amb21927513 [1,1,0,0,0,0|2,0,0]=4 2952 B13R2.5179 Nc1cccc2cc(O)ccc12 Amb2776482 [1,1,0,0,0,0|1,0,0]=3 2953 B13R2.5179 Nc1cccc2cc(O)cnc12 Amb24183774 [1,1,0,0,0,0|1,0,0]=3 2954 B13R2.5179 Nc1cccc2cc(O)ncc12 Amb22735996 [1,1,0,0,0,0|2,0,0]=4 2955 B13R2.5179 Nc1cccc2nc(Cl)ccc12 Amb22755337 [1,1,0,0,0,0|2,0,0]=4 2956 B13R2.5179 Nc1ccnc2cc(O)ccc12 Amb24738429 [1,1,0,0,0,0|2,0,0]=4 2957 B13R2.5179 Nc1cnc2c(Br)cccc2c1 Amb17621719 [1,1,0,0,0,0|2,0,0]=4 2958 B13R2.5179 Nc1cnc2c(Br)cccc2c1 Amb22494702 [1,1,0,0,0,0|2,0,0]=4 2959 B13R2.5179 Nc1cnc2c(Cl)cccc2c1 Amb22753383 [1,1,0,0,0,0|2,0,0]=4 2960 B13R2.5179 Nc1cnc2c(F)cccc2c1 Amb17621723 [1,1,0,0,0,0|2,0,0]=4 2961 B13R2.5179 Nc1cnc2c(F)cccc2c1 Amb22899402 [1,1,0,0,0,0|2,0,0]=4 2962 B13R2.5179 Nc1cnc2c(F)cccc2c1 Amb32666798 [1,1,0,0,0,0|2,0,0]=4 2963 B13R2.5179 Nc1cnc2c(I)cccc2c1 Amb28143911 [1,1,0,0,0,0|2,0,0]=4 2964 B13R2.5179 Nc1cnc2c(O)cccc2c1 Amb24557383 [1,1,0,0,0,0|2,0,0]=4 2965 B13R2.5179 O=C1C=C2C=CC=C(Br)C2=CN1 Amb22371046 [1,1,0,0,0,0|2,0,0]=4 2966 B13R2.5179 O=C1C=CC2=C(C=CCC2=O)O1 Amb27441851 [1,1,0,0,0,0|0,0,1]=3 2967 B13R2.5179 O=C1C=CC=C2OC(O)=CC=C12 Amb27959181 [1,1,0,0,0,0|0,0,1]=3 2968 B13R2.5179 O=C1C=CN2C(Cl)=CC=CC2=C1 Amb27177994 [1,1,0,0,0,0|2,0,0]=4 2969 B13R2.5179 O=C1C=CNc2cc(O)ccc21 Amb19372691 [1,1,0,0,0,0|2,0,0]=4 2970 B13R2.5179 O=C1C=COc2cc(O)ccc21 Amb18645572 [1,1,0,0,0,0|2,0,0]=4 2971 B13R2.5179 O=C1C=Cc2c(Br)cccc2N1 Amb22263039 [1,1,0,0,0,0|1,0,0]=3 2972 B13R2.5179 O=C1C=Cc2c(Br)cccc2O1 Amb24682464 [1,1,0,0,0,0|0,0,0]=2 2973 B13R2.5179 O=C1C=Cc2c(Cl)cccc2O1 Amb24368459 [1,1,0,0,0,0|0,0,0]=2 2974 B13R2.5179 O=C1C=Cc2c(Cl)ccnc2N1 Amb27860185 [1,1,0,0,0,0|2,0,0]=4 2975 B13R2.5179 O=C1C=Cc2c(F)cccc2O1 Amb24675426 [1,1,0,0,0,0|0,0,0]=2 2976 B13R2.5179 O=C1C=Cc2c(I)cccc2O1 Amb27635036 [1,1,0,0,0,0|0,0,0]=2 2977 B13R2.5179 O=C1C=Cc2c(O)cccc2N1 Amb17933814 [1,1,0,0,0,0|1,0,0]=3 2978 B13R2.5179 O=C1C=Cc2c(O)cncc2N1 Amb18645583 [1,1,0,0,0,0|2,0,0]=4 2979 B13R2.5179 O=C1C=Cc2c(ccnc2Br)N1 Amb22754891 [1,1,0,0,0,0|2,0,0]=4 2980 B13R2.5179 O=C1C=Cc2c(ccnc2Cl)N1 Amb24658274 [1,1,0,0,0,0|2,0,0]=4 2981 B13R2.5179 O=C1C=Nc2c(Br)cccc2N1 Amb26895498 [1,1,0,0,0,0|2,0,0]=4 2982 B13R2.5179 O=C1CCc2c(Br)cccc2O1 Amb28246109 [1,1,0,0,0,0|0,0,2]=4 2983 B13R2.5179 O=C1CCc2c(O)cccc2O1 Amb27482210 [1,1,0,0,0,0|0,0,2]=4 2984 B13R2.5179 O=C1N=Cc2c(Cl)cccc2N1 Amb24532716 [1,1,0,0,0,0|2,0,0]=4 2985 B13R2.5179 O=C1NC=Cc2cc(O)ccc21 Amb19100709 [1,1,0,0,0,0|2,0,0]=4 2986 B13R2.5179 O=C1NCc2c(Br)cccc2O1 Amb33483912 [1,1,0,0,0,0|1,0,1]=4 2987 B13R2.5179 O=C1NCc2c(O)cccc2O1 Amb22491592 [1,1,0,0,0,0|1,0,1]=4 2988 B13R2.5179 O=C1OCc2c(F)cccc2O1 Amb26617650 [1,1,0,0,0,0|1,0,1]=4 2989 B13R2.5179 OC1=Nc2cccc(Cl)c2OC1 Amb2451752 [1,1,0,0,0,0|1,0,1]=4 2990 B13R2.5179 Oc1cc2cccc(Cl)c2cn1 Amb18648302 [1,1,0,0,0,0|2,0,0]=4 2991 B13R2.5179 Oc1cc2cccc(F)c2cn1 Amb24389770 [1,1,0,0,0,0|2,0,0]=4 2992 B13R2.5179 Oc1ccc2c(Br)cccc2c1 Amb17596082 [1,1,0,0,0,0|1,0,0]=3 2993 B13R2.5179 Oc1ccc2c(Br)cccc2n1 Amb22371958 [1,1,0,0,0,0|1,0,1]=4 2994 B13R2.5179 Oc1ccc2c(Br)cncc2c1 Amb30633582 [1,1,0,0,0,0|2,0,0]=4 2995 B13R2.5179 Oc1ccc2c(Cl)cccc2c1 Amb17594575 [1,1,0,0,0,0|1,0,0]=3 2996 B13R2.5179 Oc1ccc2c(Cl)cccc2n1 Amb24725156 [1,1,0,0,0,0|1,0,1]=4 2997 B13R2.5179 Oc1ccc2c(Cl)ccnc2c1 Amb15692116 [1,1,0,0,0,0|2,0,0]=4 2998 B13R2.5179 Oc1ccc2c(Cl)cncc2c1 Amb30633823 [1,1,0,0,0,0|2,0,0]=4 2999 B13R2.5179 Oc1ccc2c(Cl)nccc2c1 Amb26373442 [1,1,0,0,0,0|2,0,0]=4 3000 B13R2.5179 Oc1ccc2c(F)cccc2c1 Amb28342977 [1,1,0,0,0,0|1,0,0]=3 3001 B13R2.5179 Oc1ccc2c(F)cccc2n1 Amb23448556 [1,1,0,0,0,0|1,0,1]=4 3002 B13R2.5179 Oc1ccc2c(F)ccnc2c1 Amb27765950 [1,1,0,0,0,0|2,0,0]=4 3003 B13R2.5179 Oc1ccc2c(I)cccc2c1 Amb25883430 [1,1,0,0,0,0|1,0,0]=3 3004 B13R2.5179 Oc1ccc2c(I)cccc2n1 Amb23401167 [1,1,0,0,0,0|1,0,1]=4 3005 B13R2.5179 Oc1ccc2c(I)ccnc2c1 Amb28363710 [1,1,0,0,0,0|2,0,0]=4 3006 B13R2.5179 Oc1ccc2c(O)cccc2c1 Amb6357829 [1,1,0,0,0,0|1,0,0]=3 3007 B13R2.5179 Oc1cccc2cc(Br)ccc12 Amb17596077 [1,1,0,0,0,0|2,0,0]=4 3008 B13R2.5179 Oc1cccc2cc(Br)cnc12 Amb22491313 [1,1,0,0,0,0|2,0,0]=4 3009 B13R2.5179 Oc1cccc2cc(Cl)ccc12 Amb17594571 [1,1,0,0,0,0|2,0,0]=4 3010 B13R2.5179 Oc1cccc2cc(Cl)cnc12 Amb22499642 [1,1,0,0,0,0|2,0,0]=4 3011 B13R2.5179 Oc1cccc2cc(F)ccc12 Amb28458147 [1,1,0,0,0,0|2,0,0]=4 3012 B13R2.5179 Oc1cccc2cc(F)cnc12 Amb22899348 [1,1,0,0,0,0|2,0,0]=4 3013 B13R2.5179 Oc1cccc2cc(I)ccc12 Amb26016186 [1,1,0,0,0,0|2,0,0]=4 3014 B13R2.5179 Oc1cccc2cc(I)cnc12 Amb27631430 [1,1,0,0,0,0|2,0,0]=4 3015 B13R2.5179 Oc1cccc2nc(Br)ccc12 Amb25364902 [1,1,0,0,0,0|2,0,0]=4 3016 B13R2.5179 Oc1cccc2nc(Cl)ccc12 Amb20171608 [1,1,0,0,0,0|2,0,0]=4 3017 B13R2.5179 Oc1cccc2nc(F)ccc12 Amb25974048 [1,1,0,0,0,0|2,0,0]=4 3018 B13R2.5179 Oc1cccc2nc(I)ccc12 Amb27958473 [1,1,0,0,0,0|2,0,0]=4 3019 B13R2.5179 Oc1cnc2c(Br)cccc2c1 Amb22494958 [1,1,0,0,0,0|1,0,0]=3 3020 B13R2.5179 Oc1cnc2c(Cl)cccc2c1 Amb24183739 [1,1,0,0,0,0|1,0,0]=3 3021 B13R2.5179 Oc1cnc2c(Cl)cccc2n1 Amb22496024 [1,1,0,0,0,0|2,0,0]=4 3022 B13R2.5179 Oc1cnc2c(F)cccc2c1 Amb22899408 [1,1,0,0,0,0|1,0,0]=3 3023 B13R2.5179 Oc1cnc2c(O)cccc2c1 Amb27175611 [1,1,0,0,0,0|1,0,0]=3 3024 B13R2.5179 Sc1ccc2c(Cl)cccc2n1 Amb23536157 [1,1,0,0,0,0|1,1,0]=4 3025 B13R2.5179 [O-][n+]1cccc2cc(O)ccc21 Amb23448831 [1,1,0,0,0,0|2,0,0]=4 3026 B13R2.45 BrCc1oc2ccccc2c1Br Amb32665146 [0,1,0,0,1,0|2,0,0]=4 3027 B13R2.45 C#Cc1oc2ccccc2c1C Amb33373372 [0,1,0,0,1,0|2,0,0]=4 3028 B13R2.45 C=Cc1oc2ccccc2c1C Amb24102391 [0,1,0,0,1,0|2,0,0]=4 3029 B13R2.45 CC1=C(C=O)Cc2ccccc21 Amb25276375 [0,1,0,0,1,0|2,0,0]=4 3030 B13R2.45 CCC1=Cc2ccccc2C1=O Amb27177754 [0,1,0,0,1,0|1,0,0]=3 3031 B13R2.45 CCc1oc2ccccc2c1Br Amb10569511 [0,1,0,0,1,0|2,0,0]=4 3032 B13R2.45 COC1=Nc2ccccc2C1=O Amb28122389 [0,1,0,0,1,0|1,0,0]=3 3033 B13R2.45 COC1Cc2ccccc2C1=O Amb24532698 [0,1,0,0,1,0|0,0,2]=4 3034 B13R2.45 COc1cn2ccccc2c1C Amb28252492 [0,1,0,0,1,0|2,0,0]=4 3035 B13R2.45 COc1sc2ccccc2c1C Amb27634358 [0,1,0,0,1,0|2,0,0]=4 3036 B13R2.45 C\C=C1/Cc2ccccc2C1=O Amb28076573 [0,1,0,0,1,0|1,0,1]=4 3037 B13R2.45 Cc1c(C#N)oc2ccccc12 Amb1152069 [0,1,0,0,1,0|2,0,0]=4 3038 B13R2.45 Cc1c(C=O)oc2ccccc12 Amb2702463 [0,1,0,0,1,0|1,0,0]=3 3039 B13R2.45 Cc1c(C=O)sc2ccccc12 Amb2725058 [0,1,0,0,1,0|1,1,0]=4 3040 B13R2.45 Cc1c(CBr)oc2ccccc12 Amb26953529 [0,1,0,0,1,0|2,0,0]=4 3041 B13R2.45 Cc1c(CCl)oc2ccccc12 Amb19649864 [0,1,0,0,1,0|2,0,0]=4 3042 B13R2.45 Cc1c(CN)oc2ccccc12 Amb15701585 [0,1,0,0,1,0|2,0,0]=4 3043 B13R2.45 Cc1c(CN)oc2ccccc12 Amb35788738 [0,1,0,0,1,0|2,0,0]=4 3044 B13R2.45 Cc1c(CO)oc2ccccc12 Amb18554026 [0,1,0,0,1,0|1,0,1]=4 3045 B13R2.45 Cc1c(CO)sc2ccccc12 Amb3430711 [0,1,0,0,1,0|2,0,0]=4 3046 B13R2.45 Cc1c(CS)oc2ccccc12 Amb33372615 [0,1,0,0,1,0|1,1,0]=4 3047 B13R2.45 Cn1c(CO)cc2ccccc21 Amb22224825 [0,1,0,0,1,0|2,0,0]=4 3048 B13R2.45 N#Cc1oc2ccccc2c1N Amb1099163 [0,1,0,0,1,0|2,0,0]=4 3049 B13R2.45 N#Cc1oc2ccccc2c1O Amb2609397 [0,1,0,0,1,0|1,0,0]=3 3050 B13R2.45 N#Cc1sc2ccccc2c1O Amb2424154 [0,1,0,0,1,0|1,1,0]=4 3051 B13R2.45 N=Cc1oc2ccccc2c1O Amb26023954 [0,1,0,0,1,0|1,0,0]=3 3052 B13R2.45 N=Cc1sc2ccccc2c1O Amb27441867 [0,1,0,0,1,0|1,1,0]=4 3053 B13R2.45 NCC1=Cc2ccccc2C1=O Amb27466253 [0,1,0,0,1,0|1,0,0]=3 3054 B13R2.45 NCc1oc2ccccc2c1Br Amb27796056 [0,1,0,0,1,0|2,0,0]=4 3055 B13R2.45 NCc1oc2ccccc2c1O Amb27641904 [0,1,0,0,1,0|1,0,0]=3 3056 B13R2.45 NCc1sc2ccccc2c1O Amb27624946 [0,1,0,0,1,0|1,1,0]=4 3057 B13R2.45 N\C=C1/Cc2ccccc2C1=O Amb26398787 [0,1,0,0,1,0|1,0,1]=4 3058 B13R2.45 N\C=C1\Cc2ccccc2C1=O Amb24553059 [0,1,0,0,1,0|1,0,1]=4 3059 B13R2.45 N\C=C1\Nc2ccccc2C1=O Amb2637551 [0,1,0,0,1,0|2,0,0]=4 3060 B13R2.45 N\C=C1\Sc2ccccc2C1=O Amb27959187 [0,1,0,0,1,0|2,0,0]=4 3061 B13R2.45 N\N=C1\Oc2ccccc2C1=O Amb28351488 [0,1,0,0,1,0|1,0,1]=4 3062 B13R2.45 Nc1c(C=O)oc2ccccc12 Amb18830111 [0,1,0,0,1,0|1,0,0]=3 3063 B13R2.45 Nc1c(C=O)sc2ccccc12 Amb18825002 [0,1,0,0,1,0|1,1,0]=4 3064 B13R2.45 Nc1c(CO)cn2ccccc12 Amb24488650 [0,1,0,0,1,0|2,0,0]=4 3065 B13R2.45 Nc1c(CO)sc2ccccc12 Amb23403643 [0,1,0,0,1,0|2,0,0]=4 3066 B13R2.45 O=C1C(CO)=Cc2ccccc21 Amb27805332 [0,1,0,0,1,0|0,0,0]=2 3067 B13R2.45 O=C1C(NO)=Nc2ncccc21 Amb27193547 [0,1,0,0,1,0|2,0,0]=4 3068 B13R2.45 O=C1\C(=C/[O-])Cc2ccccc21 Amb28241911 [0,1,0,0,1,0|0,0,2]=4 3069 B13R2.45 O=C1\C(=C\Cl)Cc2ccccc21 Amb27865662 [0,1,0,0,1,0|1,0,1]=4 3070 B13R2.45 O=C1\C(=C\O)Nc2ccccc21 Amb27175913 [0,1,0,0,1,0|1,0,0]=3 3071 B13R2.45 O=C1\C(=C\[O-])Cc2ccccc21 Amb20669424 [0,1,0,0,1,0|0,0,2]=4 3072 B13R2.45 O=C1\C(=N/O)Cc2ccccc21 Amb2610323 [0,1,0,0,1,0|0,0,1]=3 3073 B13R2.45 O=C1\C(=N/O)Cc2cccnc21 Amb28198617 [0,1,0,0,1,0|1,0,1]=4 3074 B13R2.45 O=C1\C(=N\O)Cc2ccccc21 Amb22348033 [0,1,0,0,1,0|0,0,1]=3 3075 B13R2.45 O=C1c2ccccc2CN1CO Amb28188217 [0,1,0,0,1,0|1,0,1]=4 3076 B13R2.45 O=Cc1oc2ccccc2c1Br Amb18134589 [0,1,0,0,1,0|1,0,0]=3 3077 B13R2.45 O=Cc1oc2ccccc2c1Cl Amb33528139 [0,1,0,0,1,0|1,0,0]=3 3078 B13R2.45 O=Cc1oc2ccccc2c1O Amb27636087 [0,1,0,0,1,0|0,0,0]=2 3079 B13R2.45 O=Cc1oc2cccnc2c1Br Amb18160777 [0,1,0,0,1,0|2,0,0]=4 3080 B13R2.45 O=Cc1oc2ccncc2c1Cl Amb18823882 [0,1,0,0,1,0|2,0,0]=4 3081 B13R2.45 O=Cc1oc2ncccc2c1Br Amb18160779 [0,1,0,0,1,0|2,0,0]=4 3082 B13R2.45 O=Cc1oc2ncccc2c1Cl Amb18648559 [0,1,0,0,1,0|2,0,0]=4 3083 B13R2.45 O=Cc1sc2ccccc2c1Br Amb18156446 [0,1,0,0,1,0|1,1,0]=4 3084 B13R2.45 O=Cc1sc2ccccc2c1Cl Amb6368941 [0,1,0,0,1,0|1,1,0]=4 3085 B13R2.45 O=Cc1sc2ccccc2c1I Amb22751335 [0,1,0,0,1,0|1,1,0]=4 3086 B13R2.45 O=Cc1sc2ccccc2c1O Amb4303853 [0,1,0,0,1,0|0,1,0]=3 3087 B13R2.45 OCc1oc2ccccc2c1Br Amb24743941 [0,1,0,0,1,0|1,0,1]=4 3088 B13R2.45 OCc1sc2ccccc2c1Br Amb27631078 [0,1,0,0,1,0|2,0,0]=4 3089 B13R2.45 OCc1sc2ccccc2c1Cl Amb1157146 [0,1,0,0,1,0|2,0,0]=4 3090 B13R2.45 [N-]=[N+]=C1Cc2ccccc2C1=O Amb17593950 [0,1,0,0,1,0|1,0,1]=4 3091 B13R2.135 C=C1Oc2ccccc2C1CO Amb25806105 [0,1,0,0,1,0|1,0,1]=4 3092 B13R2.135 CCN1C(=O)Oc2ccccc21 Amb17992087 [0,1,0,0,1,0|2,0,0]=4 3093 B13R2.135 CCc1c(Br)oc2ccccc12 Amb18754591 [0,1,0,0,1,0|2,0,0]=4 3094 B13R2.135 CNC1C(=O)Oc2ccccc21 Amb2795868 [0,1,0,0,1,0|1,0,1]=4 3095 B13R2.135 COC1C(=O)Cc2ccccc21 Amb28246573 [0,1,0,0,1,0|1,0,1]=4 3096 B13R2.135 CO[C@H]1C(=O)Nc2ccccc21 Amb28396684 [0,1,0,0,1,0|1,0,1]=4 3097 B13R2.135 COc1c(Br)oc2ccccc12 Amb27224419 [0,1,0,0,1,0|1,0,0]=3 3098 B13R2.135 COc1c(Br)sc2ccccc12 Amb28053059 [0,1,0,0,1,0|1,1,0]=4 3099 B13R2.135 C\C=C1\C(=O)Oc2ccccc21 Amb27816657 [0,1,0,0,1,0|1,0,0]=3 3100 B13R2.135 Cc1cc2ccccc2n1C=O Amb25793459 [0,1,0,0,1,0|2,0,0]=4 3101 B13R2.135 Cc1cc2ccccn2c1C=O Amb18061680 [0,1,0,0,1,0|2,0,0]=4 3102 B13R2.135 Cc1oc2ccccc2c1C#N Amb341638 [0,1,0,0,1,0|2,0,0]=4 3103 B13R2.135 Cc1oc2ccccc2c1C=O Amb1003032 [0,1,0,0,1,0|1,0,1]=4 3104 B13R2.135 Cc1oc2ccccc2c1CN Amb24061887 [0,1,0,0,1,0|2,0,0]=4 3105 B13R2.135 Cc1oc2ccccc2c1CO Amb22011694 [0,1,0,0,1,0|1,0,0]=3 3106 B13R2.135 Cc1oc2ccccc2c1CS Amb32788223 [0,1,0,0,1,0|1,1,0]=4 3107 B13R2.135 Cc1sc2ccccc2c1C=O Amb10569109 [0,1,0,0,1,0|2,0,0]=4 3108 B13R2.135 Cc1sc2ccccc2c1CO Amb26363790 [0,1,0,0,1,0|1,1,0]=4 3109 B13R2.135 Clc1oc2ccccc2c1CBr Amb32665050 [0,1,0,0,1,0|2,0,0]=4 3110 B13R2.135 Cn1cc2ccccc2c1C=O Amb27265953 [0,1,0,0,1,0|2,0,0]=4 3111 B13R2.135 N#CC1=C2NC=CC=C2OC1=O Amb27402584 [0,1,0,0,1,0|2,0,0]=4 3112 B13R2.135 N#Cc1c(O)oc2ccccc12 Amb32716347 [0,1,0,0,1,0|1,0,1]=4 3113 B13R2.135 NCc1c(Cl)oc2ccccc12 Amb26967340 [0,1,0,0,1,0|2,0,0]=4 3114 B13R2.135 NCc1c(Cl)oc2ccccc12 Amb32668148 [0,1,0,0,1,0|2,0,0]=4 3115 B13R2.135 N\C=C1\C(=O)Nc2ccccc21 Amb27204232 [0,1,0,0,1,0|2,0,0]=4 3116 B13R2.135 N\N=C1/C(=O)Nc2ccccc21 Amb19959966 [0,1,0,0,1,0|2,0,0]=4 3117 B13R2.135 N\N=C1/C(=O)Sc2ccccc21 Amb19134061 [0,1,0,0,1,0|1,1,0]=4 3118 B13R2.135 Nc1oc2ccccc2c1C=O Amb18830101 [0,1,0,0,1,0|1,0,1]=4 3119 B13R2.135 Nc1oc2ccccc2c1C=S Amb28396646 [0,1,0,0,1,0|1,1,0]=4 3120 B13R2.135 Nc1sc2ccccc2c1C=O Amb18825001 [0,1,0,0,1,0|2,0,0]=4 3121 B13R2.135 O=C1Cc2ccccc2N1CO Amb2720626 [0,1,0,0,1,0|2,0,0]=4 3122 B13R2.135 O=C1Cc2ccccc2\C1=C\O Amb28122463 [0,1,0,0,1,0|1,0,0]=3 3123 B13R2.135 O=C1N=C2C=CC=CN2\C1=C/O Amb24068486 [0,1,0,0,1,0|2,0,0]=4 3124 B13R2.135 O=C1Nc2ccccc2\C1=C/O Amb25917825 [0,1,0,0,1,0|1,0,0]=3 3125 B13R2.135 O=C1Nc2ccccc2\C1=C\O Amb22494713 [0,1,0,0,1,0|1,0,0]=3 3126 B13R2.135 O=C1Nc2ccccc2\C1=N/O Amb2221666 [0,1,0,0,1,0|1,0,0]=3 3127 B13R2.135 O=C1Nc2ccccc2\C1=N\O Amb19959979 [0,1,0,0,1,0|1,0,0]=3 3128 B13R2.135 O=C1OC2=COC=CC2=C1CO Amb27270892 [0,1,0,0,1,0|1,0,0]=3 3129 B13R2.135 O=C1Oc2ccccc2N1CCl Amb19773104 [0,1,0,0,1,0|2,0,0]=4 3130 B13R2.135 O=C1Oc2ccccc2\C1=C/O Amb27652914 [0,1,0,0,1,0|0,0,0]=2 3131 B13R2.135 O=C1Oc2cccnc2N1CO Amb28064159 [0,1,0,0,1,0|2,0,0]=4 3132 B13R2.135 O=C1Sc2ccccc2N1CO Amb21961868 [0,1,0,0,1,0|1,1,0]=4 3133 B13R2.135 O=C1Sc2ccccc2\C1=C/O Amb27270923 [0,1,0,0,1,0|0,1,0]=3 3134 B13R2.135 O=CC1C(=O)Oc2ccccc21 Amb27592987 [0,1,0,0,1,0|0,0,2]=4 3135 B13R2.135 O=Cc1c(Br)sc2ccccc12 Amb18661020 [0,1,0,0,1,0|2,0,0]=4 3136 B13R2.135 O=Cc1c(Cl)oc2ccccc12 Amb33527349 [0,1,0,0,1,0|1,0,1]=4 3137 B13R2.135 O=Cc1c(Cl)sc2ccccc12 Amb18675050 [0,1,0,0,1,0|2,0,0]=4 3138 B13R2.135 O=Cc1c(I)sc2ccccc12 Amb27230314 [0,1,0,0,1,0|2,0,0]=4 3139 B13R2.135 O=Cc1c(S)sc2ccccc12 Amb27636510 [0,1,0,0,1,0|1,1,0]=4 3140 B13R2.135 OCN1C(=S)Oc2ccccc21 Amb19773178 [0,1,0,0,1,0|1,1,0]=4 3141 B13R2.135 OCc1c(Cl)oc2ccccc12 Amb28141672 [0,1,0,0,1,0|1,0,0]=3 3142 B13R2.135 SCc1c(Cl)oc2ccccc12 Amb32788221 [0,1,0,0,1,0|1,1,0]=4 3143 B13R2.135 [N-]=[N+]=C1C(=O)Nc2ccccc21 Amb4016311 [0,1,0,0,1,0|2,0,0]=4 3144 B13R2.243 CC1(O)Cc2ccccc2C1=O Amb17778835 [0,1,0,0,1,0|0,0,2]=4 3145 B13R2.243 C[C@@]1(O)Cc2ccccc2C1=O Amb2612712 [0,1,0,0,1,0|0,0,2]=4 3146 B13R2.243 C[C@]1(O)Cc2ccccc2C1=O Amb27175939 [0,1,0,0,1,0|0,0,2]=4 3147 B13R2.359 CC1(O)C(=O)Cc2ccccc21 Amb28074607 [0,1,0,0,1,0|1,0,1]=4 3148 B13R2.359 CC1(O)C(=O)Nc2ccccc21 Amb22059446 [0,1,0,0,1,0|1,0,1]=4 3149 B13R2.359 CC1=Cc2ccccc2S1(=O)=O Amb5717428 [0,1,0,0,1,0|2,0,0]=4 3150 B13R2.359 C[C@@]1(O)C(=O)Nc2ccccc21 Amb27169490 [0,1,0,0,1,0|1,0,1]=4 3151 B13R2.359 C[C@]1(O)C(=O)Nc2ccccc21 Amb27390191 [0,1,0,0,1,0|1,0,1]=4 3152 B13R2.359 O=S1(=O)C(Br)=Cc2ccccc21 Amb5720553 [0,1,0,0,1,0|2,0,0]=4 3153 B13R2.3028 C=C1C(=O)Nc2ccc(C)cc21 Amb25150884 [0,1,0,0,1,0|2,0,0]=4 3154 B13R2.3028 C=C1C(=O)Nc2ccc(Cl)cc21 Amb27785575 [0,1,0,0,1,0|2,0,0]=4 3155 B13R2.3028 C=C1C(=O)Nc2ccc(F)cc21 Amb27769973 [0,1,0,0,1,0|2,0,0]=4 3156 B13R2.3028 C=C1C(=O)Oc2ccc(C)cc21 Amb9783196 [0,1,0,0,1,0|1,0,0]=3 3157 B13R2.3028 C=C1Cc2ccc(Br)cc2C1=O Amb18063783 [0,1,0,0,1,0|1,0,1]=4 3158 B13R2.3028 C=C1Cc2ccc(C)cc2C1=O Amb18561519 [0,1,0,0,1,0|1,0,1]=4 3159 B13R2.3028 C=C1Cc2ccc(Cl)cc2C1=O Amb18063782 [0,1,0,0,1,0|1,0,1]=4 3160 B13R2.3028 C=C1Cc2ccc(F)cc2C1=O Amb18063781 [0,1,0,0,1,0|1,0,1]=4 3161 B13R2.3028 CC1=CC2=C(C)C(=O)OC2=CO1 Amb19131977 [0,1,0,0,1,0|2,0,0]=4 3162 B13R2.3028 CC1=Cc2ccc(Cl)cc2C1=O Amb22753539 [0,1,0,0,1,0|1,0,0]=3 3163 B13R2.3028 CC1C(=O)Oc2ccc(Cl)cc21 Amb27266065 [0,1,0,0,1,0|1,0,1]=4 3164 B13R2.3028 CC1C(=O)Oc2ccc(O)cc21 Amb8388217 [0,1,0,0,1,0|1,0,1]=4 3165 B13R2.3028 CN1C(=O)Oc2ccc(Br)cc21 Amb18539364 [0,1,0,0,1,0|2,0,0]=4 3166 B13R2.3028 CN1C(=O)Oc2ccc(Cl)cc21 Amb18036634 [0,1,0,0,1,0|2,0,0]=4 3167 B13R2.3028 CN1C(=O)Oc2ccc(F)cc21 Amb18539350 [0,1,0,0,1,0|2,0,0]=4 3168 B13R2.3028 CN1C(=O)Oc2ccc(I)cc21 Amb25986732 [0,1,0,0,1,0|2,0,0]=4 3169 B13R2.3028 CN1C(=O)Oc2ccc(N)cc21 Amb33529186 [0,1,0,0,1,0|2,0,0]=4 3170 B13R2.3028 CN1C(=O)Oc2ccc(S)cc21 Amb25800828 [0,1,0,0,1,0|2,0,0]=4 3171 B13R2.3028 Cc1c(Br)oc2ccc(Cl)cc12 Amb27257705 [0,1,0,0,1,0|2,0,0]=4 3172 B13R2.3028 Cc1c(Br)oc2ccc(F)cc12 Amb18755598 [0,1,0,0,1,0|2,0,0]=4 3173 B13R2.3028 Cc1c(O)sc2ccc(F)cc12 Amb27630743 [0,1,0,0,1,0|2,0,0]=4 3174 B13R2.3028 Cc1c(O)sc2ccc(N)cc12 Amb27216068 [0,1,0,0,1,0|2,0,0]=4 3175 B13R2.3028 Cc1ccc2c(c1)C(=N)C(=O)N2 Amb28243867 [0,1,0,0,1,0|2,0,0]=4 3176 B13R2.3028 Cc1ccc2c(c1)C(=O)C(=O)N2 Amb6355801 [0,1,0,0,1,0|1,0,1]=4 3177 B13R2.3028 Cc1ccc2c(c1)C(=O)C(=O)O2 Amb27177687 [0,1,0,0,1,0|0,0,1]=3 3178 B13R2.3028 Cc1ccc2c(c1)C(=O)C(Cl)=N2 Amb17594603 [0,1,0,0,1,0|2,0,0]=4 3179 B13R2.3028 Cc1ccc2c(c1)C(=O)C(O)C2 Amb27606101 [0,1,0,0,1,0|0,0,2]=4 3180 B13R2.3028 Cc1ccc2c(c1)C(O)C(=O)N2 Amb6705754 [0,1,0,0,1,0|1,0,1]=4 3181 B13R2.3028 Cc1ccc2c(c1)N(C)C(=O)O2 Amb18036628 [0,1,0,0,1,0|2,0,0]=4 3182 B13R2.3028 Cc1ccc2oc(C)c(C)c2c1 Amb26359812 [0,1,0,0,1,0|2,0,0]=4 3183 B13R2.3028 Cc1ccc2sc(Cl)c(O)c2c1 Amb27640302 [0,1,0,0,1,0|1,1,0]=4 3184 B13R2.3028 Cc1ccc2sc(F)c(O)c2c1 Amb28457688 [0,1,0,0,1,0|1,1,0]=4 3185 B13R2.3028 Cc1ccc2sc(O)c(C)c2c1 Amb25364701 [0,1,0,0,1,0|2,0,0]=4 3186 B13R2.3028 Cc1ccc2sc(O)c(I)c2c1 Amb27429507 [0,1,0,0,1,0|2,0,0]=4 3187 B13R2.3028 Cc1ccc2sc(O)c(S)c2c1 Amb27881970 [0,1,0,0,1,0|1,1,0]=4 3188 B13R2.3028 Cc1oc2ccc(Br)cc2c1C Amb22904302 [0,1,0,0,1,0|2,0,0]=4 3189 B13R2.3028 Cc1oc2ccc(N)cc2c1C Amb18645489 [0,1,0,0,1,0|2,0,0]=4 3190 B13R2.3028 Cc1oc2ccc(O)cc2c1N Amb18829458 [0,1,0,0,1,0|2,0,0]=4 3191 B13R2.3028 Cc1sc2ccc(F)cc2c1O Amb27618682 [0,1,0,0,1,0|1,1,0]=4 3192 B13R2.3028 Cc1sc2ccc(O)cc2c1O Amb27194704 [0,1,0,0,1,0|1,1,0]=4 3193 B13R2.3028 Nc1c(O)sc2ccc(Br)cc12 Amb28287468 [0,1,0,0,1,0|2,0,0]=4 3194 B13R2.3028 Nc1ccc2c(c1)C(=O)C(=O)N2 Amb6298390 [0,1,0,0,1,0|1,0,1]=4 3195 B13R2.3028 Nc1ccc2sc(N)c(O)c2c1 Amb27429341 [0,1,0,0,1,0|1,1,0]=4 3196 B13R2.3028 Nc1ccc2sc(O)c(Cl)c2c1 Amb27257401 [0,1,0,0,1,0|2,0,0]=4 3197 B13R2.3028 Nc1ccc2sc(O)c(F)c2c1 Amb28388909 [0,1,0,0,1,0|2,0,0]=4 3198 B13R2.3028 Nc1ccc2sc(O)c(N)c2c1 Amb27429346 [0,1,0,0,1,0|2,0,0]=4 3199 B13R2.3028 Nc1sc2ccc(I)cc2c1O Amb27435193 [0,1,0,0,1,0|1,1,0]=4 3200 B13R2.3028 O=C1C(Br)=Cc2ccc(Br)cc21 Amb28138101 [0,1,0,0,1,0|1,0,0]=3 3201 B13R2.3028 O=C1C(Cl)=Nc2ccc(Br)cc21 Amb4430940 [0,1,0,0,1,0|2,0,0]=4 3202 B13R2.3028 O=C1C(O)=Nc2ccc(Br)cc21 Amb1351906 [0,1,0,0,1,0|1,0,0]=3 3203 B13R2.3028 O=C1C(O)=Nc2ccc(F)cc21 Amb19860944 [0,1,0,0,1,0|1,0,0]=3 3204 B13R2.3028 O=C1Cc2ccc(Cl)cc2N1O Amb27975413 [0,1,0,0,1,0|2,0,0]=4 3205 B13R2.3028 O=C1Nc2ccc(Br)cc2C1=O Amb6364736 [0,1,0,0,1,0|1,0,1]=4 3206 B13R2.3028 O=C1Nc2ccc(Br)cc2C1O Amb2734958 [0,1,0,0,1,0|1,0,1]=4 3207 B13R2.3028 O=C1Nc2ccc(Cl)cc2C1=O Amb6335221 [0,1,0,0,1,0|1,0,1]=4 3208 B13R2.3028 O=C1Nc2ccc(Cl)cc2C1O Amb6705763 [0,1,0,0,1,0|1,0,1]=4 3209 B13R2.3028 O=C1Nc2ccc(F)cc2C1=O Amb6315494 [0,1,0,0,1,0|1,0,1]=4 3210 B13R2.3028 O=C1Nc2ccc(F)cc2C1O Amb9748247 [0,1,0,0,1,0|1,0,1]=4 3211 B13R2.3028 O=C1Nc2ccc(I)cc2C1=O Amb1038277 [0,1,0,0,1,0|1,0,1]=4 3212 B13R2.3028 O=C1Nc2ccc(O)cc2C1=O Amb33544078 [0,1,0,0,1,0|1,0,1]=4 3213 B13R2.3028 O=C1Oc2ccc(Cl)cc2C1Cl Amb27200374 [0,1,0,0,1,0|1,0,1]=4 3214 B13R2.3028 O=C1Sc2ccc(Cl)cc2C1=O Amb27606006 [0,1,0,0,1,0|0,1,1]=4 3215 B13R2.3028 Oc1c(Br)sc2ccc(S)cc12 Amb28057123 [0,1,0,0,1,0|1,1,0]=4 3216 B13R2.3028 Oc1c(Cl)sc2ccc(F)cc12 Amb27230676 [0,1,0,0,1,0|1,1,0]=4 3217 B13R2.3028 Oc1c(Cl)sc2ccc(I)cc12 Amb28133660 [0,1,0,0,1,0|1,1,0]=4 3218 B13R2.3028 Oc1c(F)sc2ccc(F)cc12 Amb27782534 [0,1,0,0,1,0|1,1,0]=4 3219 B13R2.3028 Oc1c(F)sc2ccc(S)cc12 Amb28195405 [0,1,0,0,1,0|1,1,0]=4 3220 B13R2.3028 Oc1c(I)sc2ccc(I)cc12 Amb28292272 [0,1,0,0,1,0|1,1,0]=4 3221 B13R2.3028 Oc1c(S)sc2ccc(Cl)cc12 Amb28247433 [0,1,0,0,1,0|0,2,0]=4 3222 B13R2.3028 Oc1c(S)sc2ccc(I)cc12 Amb27216852 [0,1,0,0,1,0|0,2,0]=4 3223 B13R2.3028 Oc1ccc2sc(Br)c(O)c2c1 Amb27637165 [0,1,0,0,1,0|1,1,0]=4 3224 B13R2.3028 Oc1ccc2sc(F)c(O)c2c1 Amb28290777 [0,1,0,0,1,0|1,1,0]=4 3225 B13R2.3028 Oc1ccc2sc(I)c(O)c2c1 Amb28130534 [0,1,0,0,1,0|1,1,0]=4 3226 B13R2.3028 Oc1ccc2sc(O)c(O)c2c1 Amb28202900 [0,1,0,0,1,0|0,1,1]=4 3227 B13R2.3028 Oc1ccc2sc(S)c(O)c2c1 Amb27632900 [0,1,0,0,1,0|0,2,0]=4 3228 B13R2.3028 Oc1sc2ccc(Br)cc2c1Br Amb27971330 [0,1,0,0,1,0|2,0,0]=4 3229 B13R2.3028 Oc1sc2ccc(Br)cc2c1I Amb27487556 [0,1,0,0,1,0|2,0,0]=4 3230 B13R2.3028 Oc1sc2ccc(Cl)cc2c1Br Amb27845041 [0,1,0,0,1,0|2,0,0]=4 3231 B13R2.3028 Oc1sc2ccc(Cl)cc2c1I Amb27230701 [0,1,0,0,1,0|2,0,0]=4 3232 B13R2.3028 Oc1sc2ccc(Cl)cc2c1S Amb27459057 [0,1,0,0,1,0|1,1,0]=4 3233 B13R2.3028 Oc1sc2ccc(F)cc2c1Br Amb28287455 [0,1,0,0,1,0|2,0,0]=4 3234 B13R2.3028 Oc1sc2ccc(F)cc2c1F Amb27778711 [0,1,0,0,1,0|2,0,0]=4 3235 B13R2.3028 Oc1sc2ccc(I)cc2c1Br Amb27429954 [0,1,0,0,1,0|2,0,0]=4 3236 B13R2.3028 Oc1sc2ccc(I)cc2c1Cl Amb27439169 [0,1,0,0,1,0|2,0,0]=4 3237 B13R2.3028 Oc1sc2ccc(I)cc2c1F Amb27437512 [0,1,0,0,1,0|2,0,0]=4 3238 B13R2.3028 Oc1sc2ccc(S)cc2c1Cl Amb27216197 [0,1,0,0,1,0|2,0,0]=4 3239 B13R2.3028 Oc1sc2ccc(S)cc2c1F Amb27214696 [0,1,0,0,1,0|2,0,0]=4 3240 B13R2.3028 Oc1sc2ccc(S)cc2c1I Amb28318980 [0,1,0,0,1,0|2,0,0]=4 3241 B13R2.3085 CC1=C(C)c2ccccc2C1=O Amb27177578 [0,1,0,0,1,0|1,0,0]=3 3242 B13R2.3085 CC1=C(N)c2ccccc2C1=O Amb28127184 [0,1,0,0,1,0|1,0,0]=3 3243 B13R2.3085 CC1C(=N)c2ccccc2C1=O Amb27177779 [0,1,0,0,1,0|1,0,1]=4 3244 B13R2.3085 CC1C(=O)c2ccccc2C1=O Amb4009534 [0,1,0,0,1,0|1,0,1]=4 3245 B13R2.3085 CC1c2ccccc2C(=O)C1O Amb27770302 [0,1,0,0,1,0|0,0,2]=4 3246 B13R2.3085 CN1C(=O)C(=O)c2ccccc21 Amb6335574 [0,1,0,0,1,0|1,0,1]=4 3247 B13R2.3085 CN1C(=O)C(O)c2ccccc21 Amb2613141 [0,1,0,0,1,0|1,0,1]=4 3248 B13R2.3085 CN1C(=O)[C@@H](O)c2ccccc21 Amb27426901 [0,1,0,0,1,0|1,0,1]=4 3249 B13R2.3085 CN1C(=O)c2ccccc2C1=O Amb5794489 [0,1,0,0,1,0|2,0,0]=4 3250 B13R2.3085 CN1c2ccccc2C(=O)C1O Amb27164622 [0,1,0,0,1,0|1,0,1]=4 3251 B13R2.3085 Cc1c(O)c2ccccc2n1C Amb32732864 [0,1,0,0,1,0|2,0,0]=4 3252 B13R2.3085 Cn1c(O)c(Br)c2ccccc21 Amb33430506 [0,1,0,0,1,0|2,0,0]=4 3253 B13R2.3085 N=C1C(=O)c2ccccc2C1=O Amb27176138 [0,1,0,0,1,0|1,0,0]=3 3254 B13R2.3085 N=C1c2ccccc2C(=O)C1N Amb27860216 [0,1,0,0,1,0|1,0,1]=4 3255 B13R2.3085 NC1C(=O)N(O)c2ccccc21 Amb24073758 [0,1,0,0,1,0|2,0,0]=4 3256 B13R2.3085 NC1C(=O)c2ccccc2C1=O Amb18645446 [0,1,0,0,1,0|1,0,1]=4 3257 B13R2.3085 NC1c2ccccc2C(=O)C1O Amb28293154 [0,1,0,0,1,0|0,0,2]=4 3258 B13R2.3085 NN1C(=O)c2ccccc2C1=O Amb1151859 [0,1,0,0,1,0|2,0,0]=4 3259 B13R2.3085 O=C1C(=O)N(Cl)c2ccccc21 Amb2720848 [0,1,0,0,1,0|1,0,1]=4 3260 B13R2.3085 O=C1C(=O)N(O)c2ccccc21 Amb27177861 [0,1,0,0,1,0|1,0,1]=4 3261 B13R2.3085 O=C1C(=O)c2ccccc2C1=O Amb18048474 [0,1,0,0,1,0|0,0,1]=3 3262 B13R2.3085 O=C1C(=O)c2ccccc2C1=O Amb22001415 [0,1,0,0,1,0|0,0,1]=3 3263 B13R2.3085 O=C1c2ccccc2C(=O)C1Br Amb10071900 [0,1,0,0,1,0|1,0,1]=4 3264 B13R2.3085 O=C1c2ccccc2C(=O)C1Cl Amb19988287 [0,1,0,0,1,0|1,0,1]=4 3265 B13R2.3085 O=C1c2ccccc2C(=O)N1Br Amb6296045 [0,1,0,0,1,0|2,0,0]=4 3266 B13R2.3085 O=C1c2ccccc2C(=O)N1O Amb1351864 [0,1,0,0,1,0|1,0,0]=3 3267 B13R2.3085 O=C1c2ccccc2C(=O)N1[K] Amb21520437 [0,1,0,0,1,0|2,0,0]=4 3268 B13R2.3085 O=C1c2cccnc2C(=O)N1O Amb22001038 [0,1,0,0,1,0|2,0,0]=4 3269 B13R2.3085 O=C1c2cccnc2C(=O)N1O Amb34149531 [0,1,0,0,1,0|2,0,0]=4 3270 B13R2.3085 O=S1C(Br)=C(Br)c2ccccc21 Amb27163304 [0,1,0,0,1,0|2,0,0]=4 3271 B13R2.3085 O=c1n(O)c2ccccc2n1O Amb1042148 [0,1,0,0,1,0|2,0,0]=4 3272 B13R2.4825 C=C1Cc2c(Br)cccc2C1=O Amb18063784 [0,1,0,0,1,0|1,0,1]=4 3273 B13R2.4825 C=C1Cc2c(C)cccc2C1=O Amb18063786 [0,1,0,0,1,0|1,0,1]=4 3274 B13R2.4825 C=C1Cc2c(Cl)cccc2C1=O Amb18063771 [0,1,0,0,1,0|1,0,1]=4 3275 B13R2.4825 C=C1Cc2c(F)cccc2C1=O Amb18063726 [0,1,0,0,1,0|1,0,1]=4 3276 B13R2.4825 CC1=C2OC(=O)C(C)=C2C=CO1 Amb19131978 [0,1,0,0,1,0|2,0,0]=4 3277 B13R2.4825 CC1=Cc2c(F)cccc2C1=O Amb28202100 [0,1,0,0,1,0|1,0,0]=3 3278 B13R2.4825 CN1C(=O)Oc2c(Br)cccc21 Amb18547407 [0,1,0,0,1,0|2,0,0]=4 3279 B13R2.4825 CN1C(=O)Oc2c(Cl)cccc21 Amb18046758 [0,1,0,0,1,0|2,0,0]=4 3280 B13R2.4825 CN1C(=O)Oc2c(F)cccc21 Amb18046735 [0,1,0,0,1,0|2,0,0]=4 3281 B13R2.4825 CN1C(=O)Oc2c(N)cccc21 Amb18015311 [0,1,0,0,1,0|2,0,0]=4 3282 B13R2.4825 CN1C(=O)Oc2c(N)cccc21 Amb30584910 [0,1,0,0,1,0|2,0,0]=4 3283 B13R2.4825 CN1C(=O)Oc2c(O)cccc21 Amb28381218 [0,1,0,0,1,0|2,0,0]=4 3284 B13R2.4825 Cc1c(Br)oc2c(F)cccc12 Amb18161576 [0,1,0,0,1,0|2,0,0]=4 3285 B13R2.4825 Cc1c(N)oc2c(Br)cccc12 Amb18160647 [0,1,0,0,1,0|2,0,0]=4 3286 B13R2.4825 Cc1c(O)sc2c(Cl)cccc12 Amb25777213 [0,1,0,0,1,0|2,0,0]=4 3287 B13R2.4825 Cc1c(O)sc2c(I)cccc12 Amb28287881 [0,1,0,0,1,0|2,0,0]=4 3288 B13R2.4825 Cc1c(O)sc2c(O)cccc12 Amb27194131 [0,1,0,0,1,0|2,0,0]=4 3289 B13R2.4825 Cc1cccc2c(Br)c(O)sc12 Amb28134746 [0,1,0,0,1,0|2,0,0]=4 3290 B13R2.4825 Cc1cccc2c(Cl)c(O)sc12 Amb27654427 [0,1,0,0,1,0|2,0,0]=4 3291 B13R2.4825 Cc1cccc2c(O)c(I)sc12 Amb27966372 [0,1,0,0,1,0|1,1,0]=4 3292 B13R2.4825 Cc1cccc2c1CC(=O)N2O Amb27413117 [0,1,0,0,1,0|2,0,0]=4 3293 B13R2.4825 Cc1cccc2c1CC(O)C2=O Amb27948632 [0,1,0,0,1,0|0,0,2]=4 3294 B13R2.4825 Cc1cccc2c1NC(=O)C2=O Amb6315565 [0,1,0,0,1,0|1,0,1]=4 3295 B13R2.4825 Cc1cccc2c1NC(=O)C2O Amb18792463 [0,1,0,0,1,0|1,0,1]=4 3296 B13R2.4825 Cc1cccc2c1OC(=O)N2C Amb18547328 [0,1,0,0,1,0|2,0,0]=4 3297 B13R2.4825 Cc1oc2c(Br)cccc2c1C Amb25148644 [0,1,0,0,1,0|2,0,0]=4 3298 B13R2.4825 Cc1sc2c(C)cccc2c1O Amb27224433 [0,1,0,0,1,0|1,1,0]=4 3299 B13R2.4825 Cc1sc2c(F)cccc2c1O Amb27202974 [0,1,0,0,1,0|1,1,0]=4 3300 B13R2.4825 Cc1sc2c(N)cccc2c1O Amb27210227 [0,1,0,0,1,0|1,1,0]=4 3301 B13R2.4825 Nc1c(O)sc2c(Br)cccc12 Amb28133752 [0,1,0,0,1,0|2,0,0]=4 3302 B13R2.4825 Nc1c(O)sc2c(F)cccc12 Amb27782878 [0,1,0,0,1,0|2,0,0]=4 3303 B13R2.4825 Nc1c(O)sc2c(I)cccc12 Amb28131178 [0,1,0,0,1,0|2,0,0]=4 3304 B13R2.4825 Nc1c(O)sc2c(S)cccc12 Amb27488797 [0,1,0,0,1,0|2,0,0]=4 3305 B13R2.4825 Nc1cccc2c(Cl)c(O)sc12 Amb27489928 [0,1,0,0,1,0|2,0,0]=4 3306 B13R2.4825 Nc1cccc2c(O)c(Br)sc12 Amb27798635 [0,1,0,0,1,0|1,1,0]=4 3307 B13R2.4825 Nc1cccc2c(O)c(Cl)sc12 Amb27963758 [0,1,0,0,1,0|1,1,0]=4 3308 B13R2.4825 Nc1cccc2c(O)c(F)sc12 Amb27194779 [0,1,0,0,1,0|1,1,0]=4 3309 B13R2.4825 Nc1cccc2c(O)c(I)sc12 Amb27976650 [0,1,0,0,1,0|1,1,0]=4 3310 B13R2.4825 Nc1cccc2c(O)c(O)sc12 Amb27789301 [0,1,0,0,1,0|0,1,1]=4 3311 B13R2.4825 Nc1cccc2c(S)c(O)sc12 Amb27488808 [0,1,0,0,1,0|1,1,0]=4 3312 B13R2.4825 Nc1cccc2c1NC(=O)C2=O Amb27243910 [0,1,0,0,1,0|1,0,1]=4 3313 B13R2.4825 Nc1sc2c(F)cccc2c1O Amb27257432 [0,1,0,0,1,0|1,1,0]=4 3314 B13R2.4825 Nc1sc2c(N)cccc2c1O Amb27429345 [0,1,0,0,1,0|1,1,0]=4 3315 B13R2.4825 Nc1sc2c(S)cccc2c1O Amb27619997 [0,1,0,0,1,0|1,1,0]=4 3316 B13R2.4825 O=C1Cc2c(F)cccc2C1=O Amb28127142 [0,1,0,0,1,0|0,0,2]=4 3317 B13R2.4825 O=C1Nc2c(Br)cccc2C1=O Amb1103377 [0,1,0,0,1,0|1,0,1]=4 3318 B13R2.4825 O=C1Nc2c(Br)cccc2C1O Amb24706346 [0,1,0,0,1,0|1,0,1]=4 3319 B13R2.4825 O=C1Nc2c(Cl)cccc2C1=O Amb6486658 [0,1,0,0,1,0|1,0,1]=4 3320 B13R2.4825 O=C1Nc2c(Cl)cccc2C1O Amb19045341 [0,1,0,0,1,0|1,0,1]=4 3321 B13R2.4825 O=C1Nc2c(F)cccc2C1=O Amb6549905 [0,1,0,0,1,0|1,0,1]=4 3322 B13R2.4825 O=C1Nc2c(F)cccc2C1O Amb18177845 [0,1,0,0,1,0|1,0,1]=4 3323 B13R2.4825 O=C1Nc2c(F)cccc2N1O Amb27633417 [0,1,0,0,1,0|2,0,0]=4 3324 B13R2.4825 O=C1Nc2c(I)cccc2C1=O Amb33543163 [0,1,0,0,1,0|1,0,1]=4 3325 B13R2.4825 O=C1Nc2c(I)cccc2C1O Amb32677074 [0,1,0,0,1,0|1,0,1]=4 3326 B13R2.4825 O=C1Nc2c(O)cccc2C1=O Amb27590902 [0,1,0,0,1,0|1,0,1]=4 3327 B13R2.4825 O=C1Sc2c(Br)cccc2C1=O Amb27624710 [0,1,0,0,1,0|0,1,1]=4 3328 B13R2.4825 O=C1Sc2c(Cl)cccc2C1=O Amb28435410 [0,1,0,0,1,0|0,1,1]=4 3329 B13R2.4825 O=C1c2cccc(F)c2CC1O Amb27854296 [0,1,0,0,1,0|0,0,2]=4 3330 B13R2.4825 Oc1c(Br)sc2c(Cl)cccc12 Amb27450197 [0,1,0,0,1,0|1,1,0]=4 3331 B13R2.4825 Oc1c(Br)sc2c(F)cccc12 Amb27643722 [0,1,0,0,1,0|1,1,0]=4 3332 B13R2.4825 Oc1c(Cl)sc2c(O)cccc12 Amb27192764 [0,1,0,0,1,0|1,1,0]=4 3333 B13R2.4825 Oc1c(Cl)sc2c(S)cccc12 Amb27265059 [0,1,0,0,1,0|1,1,0]=4 3334 B13R2.4825 Oc1c(F)sc2c(Br)cccc12 Amb28320410 [0,1,0,0,1,0|1,1,0]=4 3335 B13R2.4825 Oc1c(F)sc2c(Cl)cccc12 Amb27798549 [0,1,0,0,1,0|1,1,0]=4 3336 B13R2.4825 Oc1c(I)sc2c(S)cccc12 Amb27447443 [0,1,0,0,1,0|1,1,0]=4 3337 B13R2.4825 Oc1sc2c(Br)cccc2c1Cl Amb27849534 [0,1,0,0,1,0|2,0,0]=4 3338 B13R2.4825 Oc1sc2c(Br)cccc2c1F Amb27963450 [0,1,0,0,1,0|2,0,0]=4 3339 B13R2.4825 Oc1sc2c(Br)cccc2c1S Amb27216190 [0,1,0,0,1,0|1,1,0]=4 3340 B13R2.4825 Oc1sc2c(Cl)cccc2c1S Amb28429288 [0,1,0,0,1,0|1,1,0]=4 3341 B13R2.4825 Oc1sc2c(F)cccc2c1Cl Amb27230678 [0,1,0,0,1,0|2,0,0]=4 3342 B13R2.4825 Oc1sc2c(I)cccc2c1Br Amb27438935 [0,1,0,0,1,0|2,0,0]=4 3343 B13R2.4856 C=C1C(=O)Nc2cccc(Cl)c21 Amb27831475 [0,1,0,0,1,0|2,0,0]=4 3344 B13R2.4856 CN1C(=O)Oc2cccc(N)c21 Amb18102350 [0,1,0,0,1,0|2,0,0]=4 3345 B13R2.4856 Cc1c(Br)oc2cccc(Cl)c12 Amb18717902 [0,1,0,0,1,0|2,0,0]=4 3346 B13R2.4856 Cc1c(Br)oc2cccc(F)c12 Amb18161575 [0,1,0,0,1,0|2,0,0]=4 3347 B13R2.4856 Cc1c(O)sc2cccc(O)c12 Amb27621934 [0,1,0,0,1,0|2,0,0]=4 3348 B13R2.4856 Cc1cccc2c1C(=O)C(=O)N2 Amb4140113 [0,1,0,0,1,0|1,0,1]=4 3349 B13R2.4856 Cc1cccc2c1C(=O)C(Cl)=N2 Amb17594602 [0,1,0,0,1,0|2,0,0]=4 3350 B13R2.4856 Cc1cccc2c1C(O)C(=O)N2 Amb28434378 [0,1,0,0,1,0|1,0,1]=4 3351 B13R2.4856 Cc1cccc2c1N(O)C(=O)N2 Amb27633432 [0,1,0,0,1,0|2,0,0]=4 3352 B13R2.4856 Cc1cccc2sc(Cl)c(O)c12 Amb27654426 [0,1,0,0,1,0|1,1,0]=4 3353 B13R2.4856 Cc1cccc2sc(I)c(O)c12 Amb28422913 [0,1,0,0,1,0|1,1,0]=4 3354 B13R2.4856 Cc1cccc2sc(N)c(O)c12 Amb27622914 [0,1,0,0,1,0|1,1,0]=4 3355 B13R2.4856 Cc1cccc2sc(O)c(F)c12 Amb28196827 [0,1,0,0,1,0|2,0,0]=4 3356 B13R2.4856 Cc1cccc2sc(O)c(O)c12 Amb27844841 [0,1,0,0,1,0|0,1,1]=4 3357 B13R2.4856 Cc1cccc2sc(S)c(O)c12 Amb27630766 [0,1,0,0,1,0|0,2,0]=4 3358 B13R2.4856 Cc1oc2cccc(Br)c2c1C Amb18754579 [0,1,0,0,1,0|2,0,0]=4 3359 B13R2.4856 Cc1oc2cccc(C)c2c1C Amb26872725 [0,1,0,0,1,0|2,0,0]=4 3360 B13R2.4856 Cc1sc2cccc(Br)c2c1O Amb27880306 [0,1,0,0,1,0|1,1,0]=4 3361 B13R2.4856 Cc1sc2cccc(C)c2c1O Amb28287001 [0,1,0,0,1,0|1,1,0]=4 3362 B13R2.4856 Cc1sc2cccc(I)c2c1O Amb27788654 [0,1,0,0,1,0|1,1,0]=4 3363 B13R2.4856 Cc1sc2cccc(N)c2c1O Amb27474910 [0,1,0,0,1,0|1,1,0]=4 3364 B13R2.4856 Nc1c(O)sc2cccc(Br)c12 Amb28320428 [0,1,0,0,1,0|2,0,0]=4 3365 B13R2.4856 Nc1c(O)sc2cccc(Cl)c12 Amb27783167 [0,1,0,0,1,0|2,0,0]=4 3366 B13R2.4856 Nc1c(O)sc2cccc(O)c12 Amb27625552 [0,1,0,0,1,0|2,0,0]=4 3367 B13R2.4856 Nc1c(O)sc2cccc(S)c12 Amb28057288 [0,1,0,0,1,0|2,0,0]=4 3368 B13R2.4856 Nc1cccc2c1C(=O)C(=O)N2 Amb27974583 [0,1,0,0,1,0|1,0,1]=4 3369 B13R2.4856 Nc1cccc2sc(Br)c(O)c12 Amb27439252 [0,1,0,0,1,0|1,1,0]=4 3370 B13R2.4856 Nc1cccc2sc(O)c(F)c12 Amb27474754 [0,1,0,0,1,0|2,0,0]=4 3371 B13R2.4856 Nc1cccc2sc(O)c(I)c12 Amb28057286 [0,1,0,0,1,0|2,0,0]=4 3372 B13R2.4856 Nc1cccc2sc(O)c(O)c12 Amb27845140 [0,1,0,0,1,0|0,1,1]=4 3373 B13R2.4856 Nc1cccc2sc(O)c(S)c12 Amb27435110 [0,1,0,0,1,0|1,1,0]=4 3374 B13R2.4856 O=C1C(Cl)=Nc2cccc(Cl)c21 Amb17595294 [0,1,0,0,1,0|2,0,0]=4 3375 B13R2.4856 O=C1Nc2cccc(Br)c2C1=O Amb6374120 [0,1,0,0,1,0|1,0,1]=4 3376 B13R2.4856 O=C1Nc2cccc(Br)c2C1O Amb6705765 [0,1,0,0,1,0|1,0,1]=4 3377 B13R2.4856 O=C1Nc2cccc(Cl)c2C1=O Amb4017458 [0,1,0,0,1,0|1,0,1]=4 3378 B13R2.4856 O=C1Nc2cccc(Cl)c2C1O Amb19045343 [0,1,0,0,1,0|1,0,1]=4 3379 B13R2.4856 O=C1Nc2cccc(F)c2C1=O Amb8397161 [0,1,0,0,1,0|1,0,1]=4 3380 B13R2.4856 O=C1Nc2cccc(I)c2C1=O Amb8629770 [0,1,0,0,1,0|1,0,1]=4 3381 B13R2.4856 Oc1c(Br)sc2cccc(F)c12 Amb27880941 [0,1,0,0,1,0|1,1,0]=4 3382 B13R2.4856 Oc1c(Br)sc2cccc(I)c12 Amb27623016 [0,1,0,0,1,0|1,1,0]=4 3383 B13R2.4856 Oc1c(Cl)sc2cccc(S)c12 Amb27439751 [0,1,0,0,1,0|1,1,0]=4 3384 B13R2.4856 Oc1c(F)sc2cccc(Br)c12 Amb28057033 [0,1,0,0,1,0|1,1,0]=4 3385 B13R2.4856 Oc1c(F)sc2cccc(F)c12 Amb27845139 [0,1,0,0,1,0|1,1,0]=4 3386 B13R2.4856 Oc1c(F)sc2cccc(I)c12 Amb27618644 [0,1,0,0,1,0|1,1,0]=4 3387 B13R2.4856 Oc1c(I)sc2cccc(Cl)c12 Amb27258364 [0,1,0,0,1,0|1,1,0]=4 3388 B13R2.4856 Oc1c(S)sc2cccc(Br)c12 Amb27779399 [0,1,0,0,1,0|0,2,0]=4 3389 B13R2.4856 Oc1cccc2sc(F)c(O)c12 Amb27194703 [0,1,0,0,1,0|1,1,0]=4 3390 B13R2.4856 Oc1cccc2sc(I)c(O)c12 Amb28247228 [0,1,0,0,1,0|1,1,0]=4 3391 B13R2.4856 Oc1sc2cccc(Br)c2c1Br Amb27849415 [0,1,0,0,1,0|2,0,0]=4 3392 B13R2.4856 Oc1sc2cccc(Br)c2c1S Amb28130741 [0,1,0,0,1,0|1,1,0]=4 3393 B13R2.4856 Oc1sc2cccc(Cl)c2c1F Amb27435117 [0,1,0,0,1,0|2,0,0]=4 3394 B13R2.4856 Oc1sc2cccc(Cl)c2c1I Amb28429278 [0,1,0,0,1,0|2,0,0]=4 3395 B13R2.4856 Oc1sc2cccc(Cl)c2c1O Amb27799193 [0,1,0,0,1,0|0,1,1]=4 3396 B13R2.4856 Oc1sc2cccc(F)c2c1O Amb28423776 [0,1,0,0,1,0|0,1,1]=4 3397 B13R2.4856 Oc1sc2cccc(I)c2c1O Amb27800242 [0,1,0,0,1,0|0,1,1]=4 3398 B13R2.4856 Oc1sc2cccc(O)c2c1Cl Amb28202908 [0,1,0,0,1,0|2,0,0]=4 3399 B13R2.4856 Oc1sc2cccc(O)c2c1S Amb27637372 [0,1,0,0,1,0|1,1,0]=4 3400 B13R2.5190 CC1=C2C=CC(=O)C=C2NC1=O Amb27832009 [0,1,0,0,1,0|2,0,0]=4 3401 B13R2.5190 CC1=Cc2cc(O)ccc2C1=O Amb27177971 [0,1,0,0,1,0|1,0,0]=3 3402 B13R2.5190 CN1C(=O)Oc2cc(Br)ccc21 Amb18034499 [0,1,0,0,1,0|2,0,0]=4 3403 B13R2.5190 CN1C(=O)Oc2cc(I)ccc21 Amb21927504 [0,1,0,0,1,0|2,0,0]=4 3404 B13R2.5190 CN1C(=O)Oc2cc(N)ccc21 Amb18015307 [0,1,0,0,1,0|2,0,0]=4 3405 B13R2.5190 Cc1c(Br)oc2cc(Cl)ccc12 Amb18717901 [0,1,0,0,1,0|2,0,0]=4 3406 B13R2.5190 Cc1c(Br)oc2cc(F)ccc12 Amb18161512 [0,1,0,0,1,0|2,0,0]=4 3407 B13R2.5190 Cc1c(O)sc2cc(Cl)ccc12 Amb28131736 [0,1,0,0,1,0|2,0,0]=4 3408 B13R2.5190 Cc1c(O)sc2cc(F)ccc12 Amb27788630 [0,1,0,0,1,0|2,0,0]=4 3409 B13R2.5190 Cc1c(O)sc2cc(O)ccc12 Amb27844843 [0,1,0,0,1,0|2,0,0]=4 3410 B13R2.5190 Cc1ccc2c(C)c(Br)oc2c1 Amb18754577 [0,1,0,0,1,0|2,0,0]=4 3411 B13R2.5190 Cc1ccc2c(C)c(C)oc2c1 Amb27616941 [0,1,0,0,1,0|2,0,0]=4 3412 B13R2.5190 Cc1ccc2c(C)c(O)sc2c1 Amb28428703 [0,1,0,0,1,0|2,0,0]=4 3413 B13R2.5190 Cc1ccc2c(Cl)c(O)sc2c1 Amb27779447 [0,1,0,0,1,0|2,0,0]=4 3414 B13R2.5190 Cc1ccc2c(O)c(O)sc2c1 Amb27488420 [0,1,0,0,1,0|0,1,1]=4 3415 B13R2.5190 Cc1ccc2c(O)c(S)sc2c1 Amb28457686 [0,1,0,0,1,0|0,2,0]=4 3416 B13R2.5190 Cc1ccc2c(c1)CC(=O)N2O Amb27143636 [0,1,0,0,1,0|2,0,0]=4 3417 B13R2.5190 Cc1ccc2c(c1)N=C(Cl)C2=O Amb17594604 [0,1,0,0,1,0|2,0,0]=4 3418 B13R2.5190 Cc1ccc2c(c1)NC(=O)C2=O Amb1887200 [0,1,0,0,1,0|1,0,1]=4 3419 B13R2.5190 Cc1ccc2c(c1)OC(=O)C2C Amb25993892 [0,1,0,0,1,0|1,0,1]=4 3420 B13R2.5190 Cc1ccc2c(c1)SC(=O)C2=O Amb28144149 [0,1,0,0,1,0|0,1,1]=4 3421 B13R2.5190 Cc1sc2cc(Br)ccc2c1O Amb28247451 [0,1,0,0,1,0|1,1,0]=4 3422 B13R2.5190 Cc1sc2cc(I)ccc2c1O Amb28287012 [0,1,0,0,1,0|1,1,0]=4 3423 B13R2.5190 Cc1sc2cc(N)ccc2c1O Amb27263093 [0,1,0,0,1,0|1,1,0]=4 3424 B13R2.5190 Cc1sc2cc(O)ccc2c1O Amb27844838 [0,1,0,0,1,0|1,1,0]=4 3425 B13R2.5190 Nc1c(O)sc2cc(F)ccc12 Amb27257462 [0,1,0,0,1,0|2,0,0]=4 3426 B13R2.5190 Nc1c(O)sc2cc(O)ccc12 Amb27845141 [0,1,0,0,1,0|2,0,0]=4 3427 B13R2.5190 Nc1ccc2c(O)c(N)sc2c1 Amb27429343 [0,1,0,0,1,0|1,1,0]=4 3428 B13R2.5190 Nc1ccc2c(O)c(S)sc2c1 Amb28142085 [0,1,0,0,1,0|0,2,0]=4 3429 B13R2.5190 Nc1sc2cc(F)ccc2c1O Amb27799279 [0,1,0,0,1,0|1,1,0]=4 3430 B13R2.5190 Nc1sc2cc(I)ccc2c1O Amb27460122 [0,1,0,0,1,0|1,1,0]=4 3431 B13R2.5190 O=C1C(Cl)=Nc2cc(Cl)ccc21 Amb17595295 [0,1,0,0,1,0|2,0,0]=4 3432 B13R2.5190 O=C1Cc2cc(F)ccc2C1=O Amb27416492 [0,1,0,0,1,0|0,0,2]=4 3433 B13R2.5190 O=C1Nc2cc(Br)ccc2C1=O Amb6374119 [0,1,0,0,1,0|1,0,1]=4 3434 B13R2.5190 O=C1Nc2cc(Br)ccc2C1O Amb6705762 [0,1,0,0,1,0|1,0,1]=4 3435 B13R2.5190 O=C1Nc2cc(Cl)ccc2C1=O Amb2786130 [0,1,0,0,1,0|1,0,1]=4 3436 B13R2.5190 O=C1Nc2cc(Cl)ccc2C1=S Amb28074077 [0,1,0,0,1,0|1,1,0]=4 3437 B13R2.5190 O=C1Nc2cc(F)ccc2C1=O Amb1155086 [0,1,0,0,1,0|1,0,1]=4 3438 B13R2.5190 O=C1Nc2cc(F)ccc2C1O Amb9748287 [0,1,0,0,1,0|1,0,1]=4 3439 B13R2.5190 O=C1Nc2cc(I)ccc2C1=O Amb8629769 [0,1,0,0,1,0|1,0,1]=4 3440 B13R2.5190 O=C1Nc2cc(O)ccc2C1=O Amb6306510 [0,1,0,0,1,0|1,0,1]=4 3441 B13R2.5190 O=C1Sc2cc(Br)ccc2C1=O Amb26472295 [0,1,0,0,1,0|0,1,1]=4 3442 B13R2.5190 O=C1c2ccc(F)cc2CC1O Amb28120472 [0,1,0,0,1,0|0,0,2]=4 3443 B13R2.5190 Oc1c(Br)sc2cc(Cl)ccc12 Amb27248772 [0,1,0,0,1,0|1,1,0]=4 3444 B13R2.5190 Oc1c(F)sc2cc(Br)ccc12 Amb27798625 [0,1,0,0,1,0|1,1,0]=4 3445 B13R2.5190 Oc1c(F)sc2cc(F)ccc12 Amb27797571 [0,1,0,0,1,0|1,1,0]=4 3446 B13R2.5190 Oc1c(S)sc2cc(Br)ccc12 Amb28345489 [0,1,0,0,1,0|0,2,0]=4 3447 B13R2.5190 Oc1ccc2c(O)c(Cl)sc2c1 Amb27192763 [0,1,0,0,1,0|1,1,0]=4 3448 B13R2.5190 Oc1ccc2c(O)c(I)sc2c1 Amb28133801 [0,1,0,0,1,0|1,1,0]=4 3449 B13R2.5190 Oc1ccc2c(O)c(O)sc2c1 Amb27429527 [0,1,0,0,1,0|0,1,1]=4 3450 B13R2.5190 Oc1ccc2c(S)c(O)sc2c1 Amb27194818 [0,1,0,0,1,0|1,1,0]=4 3451 B13R2.5190 Oc1sc2cc(Br)ccc2c1Cl Amb27621935 [0,1,0,0,1,0|2,0,0]=4 3452 B13R2.5190 Oc1sc2cc(Br)ccc2c1I Amb28059583 [0,1,0,0,1,0|2,0,0]=4 3453 B13R2.5190 Oc1sc2cc(Br)ccc2c1O Amb27622252 [0,1,0,0,1,0|0,1,1]=4 3454 B13R2.5190 Oc1sc2cc(Cl)ccc2c1Br Amb27855756 [0,1,0,0,1,0|2,0,0]=4 3455 B13R2.5190 Oc1sc2cc(Cl)ccc2c1I Amb27789391 [0,1,0,0,1,0|2,0,0]=4 3456 B13R2.5190 Oc1sc2cc(F)ccc2c1Br Amb27622383 [0,1,0,0,1,0|2,0,0]=4 3457 B13R2.5190 Oc1sc2cc(F)ccc2c1Cl Amb28197837 [0,1,0,0,1,0|2,0,0]=4 3458 B13R2.5190 Oc1sc2cc(F)ccc2c1I Amb27784322 [0,1,0,0,1,0|2,0,0]=4 3459 B13R2.5190 Oc1sc2cc(F)ccc2c1S Amb27618661 [0,1,0,0,1,0|1,1,0]=4 3460 B13R2.5190 Oc1sc2cc(I)ccc2c1O Amb28288205 [0,1,0,0,1,0|0,1,1]=4 3461 B13R2.5190 Oc1sc2cc(S)ccc2c1Cl Amb28057227 [0,1,0,0,1,0|2,0,0]=4 3462 B13R2.599 COC1=CC2=CC=NC2=CC1=O Amb28144218 [0,1,0,0,1,0|2,0,0]=4 3463 B13R2.599 O=Cc1cc2ccsc2cc1O Amb18824897 [0,1,0,0,1,0|2,0,0]=4 3464 B13R2.4899 CC1=C(O)C(=O)C=C2C=CN=C21 Amb27262871 [0,1,0,0,1,0|2,0,0]=4 3465 B13R2.13083 Cc1cc2c(o1)C=C(O)C(=O)N2 Amb28366674 [0,1,0,0,1,0|2,0,0]=4 3466 B13R2.13083 Cc1cc2c(s1)C=C(O)C(=O)N2 Amb28208444 [0,1,0,0,1,0|2,0,0]=4 3467 B15R2.1846 CCC1=Cc2ccccc2C=CC1=O Amb21948173 [0,1,0,0,0,1|2,0,0]=4 3468 B15R2.2114 N#CC1=CNc2ccccc2NC1=O Amb17750302 [0,1,0,0,0,1|2,0,0]=4 3469 B15R2.13167 CC1Oc2ccccc2C(=O)N=C1O Amb7080238 [0,1,0,0,0,1|1,0,1]=4 3470 B15R2.50134 O=C1C=Cc2ccc(O)cc2OC1=O Amb27585930 [0,1,0,0,0,1|0,0,1]=3 3471 B15R2.1847 CC1(C)Oc2ccccc2C=C1CO Amb28138788 [0,2,0,0,0,0|1,0,1]=4 3472 B15R2.117 C#Cc1cc2ccccc2cc1C=O Amb27861259 [0,2,0,0,0,0|2,0,0]=4 3473 B15R2.117 COc1cc2ccccc2cc1C#N Amb18129220 [0,2,0,0,0,0|2,0,0]=4 3474 B15R2.117 COc1cc2ccccc2cc1C=O Amb18649283 [0,2,0,0,0,0|1,0,0]=3 3475 B15R2.117 COc1cc2ccccc2cc1CCl Amb25999385 [0,2,0,0,0,0|2,0,0]=4 3476 B15R2.117 COc1cc2ccccc2cc1CN Amb18909616 [0,2,0,0,0,0|2,0,0]=4 3477 B15R2.117 COc1cc2ccccc2cc1CO Amb22348066 [0,2,0,0,0,0|1,0,1]=4 3478 B15R2.117 COc1cc2ccccc2cc1OC Amb20247703 [0,2,0,0,0,0|1,0,1]=4 3479 B15R2.117 COc1cc2ccccc2cc1SC Amb27491870 [0,2,0,0,0,0|1,1,0]=4 3480 B15R2.117 COc1cc2ccccc2nc1C=O Amb27388258 [0,2,0,0,0,0|1,0,0]=3 3481 B15R2.117 COc1nc2ccccc2cc1C=O Amb1839681 [0,2,0,0,0,0|2,0,0]=4 3482 B15R2.117 COc1nc2ccccc2cc1CO Amb7778735 [0,2,0,0,0,0|1,0,1]=4 3483 B15R2.117 COc1nc2ccccc2nc1C=O Amb18649775 [0,2,0,0,0,0|2,0,0]=4 3484 B15R2.117 N#Cc1cc2ccccc2cc1CO Amb27425536 [0,2,0,0,0,0|2,0,0]=4 3485 B15R2.117 NNc1nc2ccccc2cc1CO Amb19077741 [0,2,0,0,0,0|2,0,0]=4 3486 B15R2.117 O=Cc1cc2ccccc2cc1C=O Amb10844779 [0,2,0,0,0,0|1,0,1]=4 3487 B15R2.117 O=Cc1cc2ccccc2cc1CCl Amb25312206 [0,2,0,0,0,0|2,0,0]=4 3488 B15R2.117 O=Cc1cc2ccccc2cc1N=O Amb28409040 [0,2,0,0,0,0|1,0,1]=4 3489 B15R2.117 O=Cc1nc2ccccc2nc1CO Amb27643488 [0,2,0,0,0,0|2,0,0]=4 3490 B15R2.117 OCc1cc2ccccc2cc1CO Amb4010683 [0,2,0,0,0,0|1,0,1]=4 3491 B15R2.117 OCc1cc2ccccc2nc1CO Amb8385704 [0,2,0,0,0,0|1,0,1]=4 3492 B15R2.274 CC1=C(C#N)C(=O)Nc2ccccc21 Amb18648878 [0,2,0,0,0,0|2,0,0]=4 3493 B15R2.274 CC1=C(C#N)C(=O)Oc2ccccc21 Amb18001225 [0,2,0,0,0,0|1,0,0]=3 3494 B15R2.274 CC1=C(CN)C(=O)Nc2ccccc21 Amb23571584 [0,2,0,0,0,0|2,0,0]=4 3495 B15R2.274 CC1Oc2ccccc2C(=O)\C1=C/O Amb27761544 [0,2,0,0,0,0|1,0,1]=4 3496 B15R2.274 CCC1=C(N)c2ccccc2NC1=O Amb18649966 [0,2,0,0,0,0|2,0,0]=4 3497 B15R2.274 CCC1=C(O)c2ccccc2NC1=O Amb19667948 [0,2,0,0,0,0|2,0,0]=4 3498 B15R2.274 CCC1=C(O)c2ccccc2OC1=O Amb19665339 [0,2,0,0,0,0|1,0,0]=3 3499 B15R2.274 COC1=C(C)Oc2ccccc2C1=O Amb22753597 [0,2,0,0,0,0|1,0,0]=3 3500 B15R2.274 COC1=C(C)c2cccnc2NC1=O Amb27403561 [0,2,0,0,0,0|2,0,0]=4 3501 B15R2.274 COC1=C(N)Sc2ccccc2C1=O Amb28364931 [0,2,0,0,0,0|1,1,0]=4 3502 B15R2.274 COC1=C(O)c2ccccc2OC1=O Amb22753606 [0,2,0,0,0,0|0,0,0]=2 3503 B15R2.274 CON1C(=O)Nc2ccccc2C1=O Amb28183753 [0,2,0,0,0,0|2,0,0]=4 3504 B15R2.274 COc1c(Br)cc2ccccc2c1C Amb23448508 [0,2,0,0,0,0|2,0,0]=4 3505 B15R2.274 Cc1nc2ccccc2c(O)c1CO Amb3443321 [0,2,0,0,0,0|2,0,0]=4 3506 B15R2.274 N#CC1=C(Cl)c2ccccc2NC1=O Amb19894803 [0,2,0,0,0,0|2,0,0]=4 3507 B15R2.274 N#CC1=C(N)Oc2ccccc2C1=O Amb27611687 [0,2,0,0,0,0|2,0,0]=4 3508 B15R2.274 N#CC1=C(N)c2ccccc2NC1=O Amb18548454 [0,2,0,0,0,0|2,0,0]=4 3509 B15R2.274 N#CC1=C(O)c2ccccc2NC1=O Amb19665378 [0,2,0,0,0,0|2,0,0]=4 3510 B15R2.274 N#CC1=C(O)c2ccccc2OC1=O Amb27831918 [0,2,0,0,0,0|1,0,0]=3 3511 B15R2.274 N=CC1=C(N)Oc2ccccc2C1=O Amb27746987 [0,2,0,0,0,0|2,0,0]=4 3512 B15R2.274 NC1=C(C=O)C(=O)Oc2ccccc21 Amb21948591 [0,2,0,0,0,0|0,0,1]=3 3513 B15R2.274 NC1=C(C=O)C(=O)c2ccccc2O1 Amb19650639 [0,2,0,0,0,0|1,0,1]=4 3514 B15R2.274 NC1=C(CO)C(=O)c2ccccc2O1 Amb18278230 [0,2,0,0,0,0|1,0,0]=3 3515 B15R2.274 NCC1=C(O)c2ccccc2OC1=O Amb28250083 [0,2,0,0,0,0|1,0,0]=3 3516 B15R2.274 N\C=C1\C(=O)Oc2ccccc2C1=O Amb28197173 [0,2,0,0,0,0|1,0,0]=3 3517 B15R2.274 O=C1Nc2ccccc2C(=O)\C1=N\O Amb22520701 [0,2,0,0,0,0|1,0,0]=3 3518 B15R2.274 O=C1Oc2ccccc2C(=O)\C1=C/O Amb27658450 [0,2,0,0,0,0|0,0,0]=2 3519 B15R2.274 O=CC1=C(Cl)c2ccccc2OC1=O Amb18528898 [0,2,0,0,0,0|0,0,1]=3 3520 B15R2.274 O=CC1=C(O)c2ccccc2OC1=O Amb18650315 [0,2,0,0,0,0|0,0,1]=3 3521 B15R2.274 O=CC1=C(S)c2ccccc2OC1=O Amb27767915 [0,2,0,0,0,0|0,0,1]=3 3522 B15R2.274 O=Cc1c(O)nc2ccccc2c1Cl Amb22753733 [0,2,0,0,0,0|2,0,0]=4 3523 B15R2.274 O=NC1=C(O)c2ccccc2NC1=O Amb27403552 [0,2,0,0,0,0|1,0,1]=4 3524 B15R2.274 OCc1c(Br)nc2ccccc2c1Br Amb25669100 [0,2,0,0,0,0|2,0,0]=4 3525 B15R2.274 [N-]=[N+]=C1C(=O)Nc2ccccc2C1=O Amb27640952 [0,2,0,0,0,0|2,0,0]=4 3526 B15R2.274 [N-]=[N+]=C1C(=O)Oc2ccccc2C1=O Amb9768261 [0,2,0,0,0,0|1,0,0]=3 3527 B15R2.888 CC#CC1=Cc2ccccc2OC1=O Amb27971157 [0,2,0,0,0,0|1,0,0]=3 3528 B15R2.888 CCCC1=Cc2ccccc2NC1=O Amb28058881 [0,2,0,0,0,0|2,0,0]=4 3529 B15R2.888 CCCC1=Cc2ccccc2OC1=O Amb27962546 [0,2,0,0,0,0|1,0,0]=3 3530 B15R2.888 CCCc1cc2ccccc2cc1O Amb27612777 [0,2,0,0,0,0|2,0,0]=4 3531 B15R2.888 CCCc1nc2ccccc2cc1O Amb33133842 [0,2,0,0,0,0|2,0,0]=4 3532 B15R2.888 CCOC1=Nc2ccccc2NC1=O Amb19651674 [0,2,0,0,0,0|2,0,0]=4 3533 B15R2.888 CCOc1cc2ccccc2cc1Cl Amb27816650 [0,2,0,0,0,0|2,0,0]=4 3534 B15R2.888 CNCC1=Cc2ccccc2NC1=O Amb18563363 [0,2,0,0,0,0|2,0,0]=4 3535 B15R2.888 CSCC1=Cc2ccccc2NC1=O Amb27145551 [0,2,0,0,0,0|1,1,0]=4 3536 B15R2.888 N#CCC1=Cc2ccccc2NC1=O Amb18528574 [0,2,0,0,0,0|2,0,0]=4 3537 B15R2.888 N#CCc1cc2ccccc2cc1O Amb25828992 [0,2,0,0,0,0|2,0,0]=4 3538 B15R2.888 N=C1Oc2ccccc2C=C1CSN Amb21948589 [0,2,0,0,0,0|1,1,0]=4 3539 B15R2.888 NCCC1=Cc2ccccc2NC1=O Amb18010538 [0,2,0,0,0,0|2,0,0]=4 3540 B15R2.888 NCCC1=Cc2ccccc2NC1=O Amb18909682 [0,2,0,0,0,0|2,0,0]=4 3541 B15R2.888 NCCC1=Cc2ccccc2OC1=O Amb27263826 [0,2,0,0,0,0|1,0,0]=3 3542 B15R2.888 NOCc1cc2ccccc2nc1Cl Amb33058964 [0,2,0,0,0,0|2,0,0]=4 3543 B15R2.888 NSCC1=Cc2ccccc2OC1=O Amb21948590 [0,2,0,0,0,0|0,1,0]=3 3544 B15R2.888 N\N=C\c1cc2ccccc2cc1O Amb598453 [0,2,0,0,0,0|2,0,0]=4 3545 B15R2.888 O=C1N=c2ccccc2=C\C1=C\NO Amb22270131 [0,2,0,0,0,0|1,0,0]=3 3546 B15R2.888 O=C1Nc2ccccc2C=C1CCCl Amb22723323 [0,2,0,0,0,0|2,0,0]=4 3547 B15R2.888 O=C1Nc2ccccc2C=C1\C=N\O Amb19372570 [0,2,0,0,0,0|1,0,0]=3 3548 B15R2.888 O=C1Nc2ccccc2N=C1CCO Amb20245615 [0,2,0,0,0,0|2,0,0]=4 3549 B15R2.888 ONCc1cc2ccccc2nc1Cl Amb33058657 [0,2,0,0,0,0|2,0,0]=4 3550 B15R2.888 O\N=C\c1cc2ccccc2nc1Cl Amb11209112 [0,2,0,0,0,0|2,0,0]=4 3551 B15R2.984 C=C(C)c1cc2ccccc2cc1O Amb27612758 [0,2,0,0,0,0|2,0,0]=4 3552 B15R2.984 CC(=O)C1=Cc2ccccc2OC1=O Amb18364021 [0,2,0,0,0,0|0,0,1]=3 3553 B15R2.984 CC(=O)C1=Cc2ccccc2OC1=S Amb28192329 [0,2,0,0,0,0|0,1,1]=4 3554 B15R2.984 CC(=O)c1cc2ccccc2cc1N Amb18129530 [0,2,0,0,0,0|2,0,0]=4 3555 B15R2.984 CC(=O)c1cc2ccccc2cc1O Amb18129613 [0,2,0,0,0,0|1,0,0]=3 3556 B15R2.984 CC(=O)c1cc2ccccc2nc1O Amb22396163 [0,2,0,0,0,0|2,0,0]=4 3557 B15R2.984 CC(=O)c1nc2ccccc2cc1C Amb22498218 [0,2,0,0,0,0|2,0,0]=4 3558 B15R2.984 CC(C)c1cc2ccccc2cc1O Amb26427127 [0,2,0,0,0,0|2,0,0]=4 3559 B15R2.984 CC(C)c1nc2ccccc2cc1O Amb25957737 [0,2,0,0,0,0|2,0,0]=4 3560 B15R2.984 CC(N)c1cc2ccccc2cc1O Amb27258057 [0,2,0,0,0,0|2,0,0]=4 3561 B15R2.984 CC(O)C1=Cc2ccccc2NC1=O Amb18015645 [0,2,0,0,0,0|1,0,0]=3 3562 B15R2.984 CC(O)c1cc2ccccc2cc1N Amb29875242 [0,2,0,0,0,0|2,0,0]=4 3563 B15R2.984 CC(O)c1cc2ccccc2cc1O Amb27793840 [0,2,0,0,0,0|1,0,1]=4 3564 B15R2.984 CC(O)c1cc2ccccc2nc1Cl Amb5755950 [0,2,0,0,0,0|2,0,0]=4 3565 B15R2.984 CC(O)c1nc2ccccc2cc1O Amb24403904 [0,2,0,0,0,0|1,0,1]=4 3566 B15R2.984 CC1=C(C(=O)O)Cc2ccccc2O1 Amb19148851 [0,2,0,0,0,0|1,0,1]=4 3567 B15R2.984 CC1=C(C(=O)O)Oc2ccccc2O1 Amb27758585 [0,2,0,0,0,0|2,0,0]=4 3568 B15R2.984 CC1Oc2ccccc2C=C1C(=O)O Amb24331389 [0,2,0,0,0,0|1,0,1]=4 3569 B15R2.984 CN(C)C1=Cc2ccccc2OC1=O Amb27849225 [0,2,0,0,0,0|1,0,0]=3 3570 B15R2.984 C[C@@H](O)c1cc2ccccc2nc1Cl Amb33058649 [0,2,0,0,0,0|2,0,0]=4 3571 B15R2.984 C[C@H](N)c1cc2ccccc2cc1O Amb27263665 [0,2,0,0,0,0|2,0,0]=4 3572 B15R2.984 C[C@H](O)c1cc2ccccc2nc1Cl Amb33058652 [0,2,0,0,0,0|2,0,0]=4 3573 B15R2.984 Cc1cc2ccccc2cc1B(O)O Amb27155635 [0,2,0,0,0,0|2,0,0]=4 3574 B15R2.984 Cc1cc2ccccc2cc1C(=O)Cl Amb27390033 [0,2,0,0,0,0|2,0,0]=4 3575 B15R2.984 Cc1cc2ccccc2cc1C(=O)O Amb10844302 [0,2,0,0,0,0|2,0,0]=4 3576 B15R2.984 Cc1cc2ccccc2nc1C(=O)O Amb18649515 [0,2,0,0,0,0|2,0,0]=4 3577 B15R2.984 Cc1cc2ccccc2nc1C(=O)O Amb30349337 [0,2,0,0,0,0|2,0,0]=4 3578 B15R2.984 Cc1cc2ccccc2nc1C(N)=O Amb22498478 [0,2,0,0,0,0|2,0,0]=4 3579 B15R2.984 Cc1nc2ccccc2cc1B(O)O Amb27983290 [0,2,0,0,0,0|2,0,0]=4 3580 B15R2.984 Cc1nc2ccccc2cc1C(=O)O Amb1107297 [0,2,0,0,0,0|2,0,0]=4 3581 B15R2.984 Cc1nc2ccccc2cc1C(=O)O Amb82078 [0,2,0,0,0,0|2,0,0]=4 3582 B15R2.984 N=C(N)c1cc2ccccc2cc1O Amb27653971 [0,2,0,0,0,0|2,0,0]=4 3583 B15R2.984 N=C(N)c1cc2ccccc2oc1=O Amb4135450 [0,2,0,0,0,0|1,0,0]=3 3584 B15R2.984 N=C1Oc2ccccc2C=C1C(N)=O Amb19751870 [0,2,0,0,0,0|1,0,1]=4 3585 B15R2.984 N=C1Oc2ccccc2C=C1C(N)=S Amb21862611 [0,2,0,0,0,0|1,1,0]=4 3586 B15R2.984 NC(=O)C1=Cc2ccccc2OC1=O Amb19186060 [0,2,0,0,0,0|0,0,1]=3 3587 B15R2.984 NC(=O)c1cc2ccccc2cc1F Amb28141892 [0,2,0,0,0,0|2,0,0]=4 3588 B15R2.984 NC(=O)c1cc2ccccc2cc1N Amb18944638 [0,2,0,0,0,0|2,0,0]=4 3589 B15R2.984 NC(=O)c1cc2ccccc2cc1O Amb3941049 [0,2,0,0,0,0|1,0,0]=3 3590 B15R2.984 NC(=O)c1cc2cnccc2cc1O Amb27240233 [0,2,0,0,0,0|2,0,0]=4 3591 B15R2.984 NC(=O)c1nc2ccccc2cc1N Amb23400354 [0,2,0,0,0,0|2,0,0]=4 3592 B15R2.984 NC(=S)C1=Cc2ccccc2OC1=O Amb18108354 [0,2,0,0,0,0|0,1,0]=3 3593 B15R2.984 Nc1cc2ccccc2cc1B(O)O Amb27611793 [0,2,0,0,0,0|2,0,0]=4 3594 B15R2.984 Nc1cc2ccccc2cc1C(=O)Cl Amb28254245 [0,2,0,0,0,0|2,0,0]=4 3595 B15R2.984 Nc1cc2ccccc2cc1C(=O)O Amb1207395 [0,2,0,0,0,0|2,0,0]=4 3596 B15R2.984 Nc1cc2ccccc2cc1[N+](=O)[O-] Amb8439110 [0,2,0,0,0,0|2,0,0]=4 3597 B15R2.984 Nc1cc2ccccc2nc1C(=O)O Amb23401877 [0,2,0,0,0,0|2,0,0]=4 3598 B15R2.984 Nc1nc2ccccc2cc1C(=O)O Amb17777636 [0,2,0,0,0,0|2,0,0]=4 3599 B15R2.984 O=C(Cl)C1=Cc2ccccc2NC1=O Amb26332443 [0,2,0,0,0,0|1,0,1]=4 3600 B15R2.984 O=C(Cl)C1=Cc2ccccc2OC1=O Amb20246903 [0,2,0,0,0,0|0,0,1]=3 3601 B15R2.984 O=C(Cl)c1cc2ccccc2cc1Br Amb27952281 [0,2,0,0,0,0|2,0,0]=4 3602 B15R2.984 O=C(Cl)c1cc2ccccc2cc1F Amb24336383 [0,2,0,0,0,0|2,0,0]=4 3603 B15R2.984 O=C(Cl)c1cc2ccccc2cc1I Amb25906033 [0,2,0,0,0,0|2,0,0]=4 3604 B15R2.984 O=C(Cl)c1cc2ccccc2cc1O Amb17595532 [0,2,0,0,0,0|1,0,0]=3 3605 B15R2.984 O=C(Cl)c1cc2cccnc2cc1O Amb25364028 [0,2,0,0,0,0|2,0,0]=4 3606 B15R2.984 O=C(Cl)c1cc2ncccc2cc1O Amb24468316 [0,2,0,0,0,0|2,0,0]=4 3607 B15R2.984 O=C(Cl)c1nc2ccccc2cc1O Amb27808978 [0,2,0,0,0,0|1,0,0]=3 3608 B15R2.984 O=C(Cl)c1nc2ccccc2nc1O Amb25254894 [0,2,0,0,0,0|2,0,0]=4 3609 B15R2.984 O=C(O)C1=CN2C=CC=CC2=CC1=O Amb27650693 [0,2,0,0,0,0|2,0,0]=4 3610 B15R2.984 O=C(O)C1=Cc2ccccc2NC1=O Amb17933901 [0,2,0,0,0,0|1,0,0]=3 3611 B15R2.984 O=C(O)C1=Cc2ccccc2OC1=O Amb17988932 [0,2,0,0,0,0|0,0,0]=2 3612 B15R2.984 O=C(O)C1=Cc2ccccc2OC1=S Amb27401176 [0,2,0,0,0,0|0,1,0]=3 3613 B15R2.984 O=C(O)C1=Cc2cccnc2NC1=O Amb18023998 [0,2,0,0,0,0|2,0,0]=4 3614 B15R2.984 O=C(O)C1=Cc2ccncc2NC1=O Amb27403180 [0,2,0,0,0,0|2,0,0]=4 3615 B15R2.984 O=C(O)C1=Cc2ccncc2OC1=O Amb18650693 [0,2,0,0,0,0|1,0,0]=3 3616 B15R2.984 O=C(O)C1=Cc2cnccc2NC1=O Amb23440666 [0,2,0,0,0,0|2,0,0]=4 3617 B15R2.984 O=C(O)C1=Nc2ccccc2NC1=O Amb19957530 [0,2,0,0,0,0|2,0,0]=4 3618 B15R2.984 O=C(O)C1Cc2ccccc2OC1=O Amb18651015 [0,2,0,0,0,0|0,0,2]=4 3619 B15R2.984 O=C(O)c1cc2ccccc2cc1Br Amb18667010 [0,2,0,0,0,0|2,0,0]=4 3620 B15R2.984 O=C(O)c1cc2ccccc2cc1Cl Amb18130974 [0,2,0,0,0,0|2,0,0]=4 3621 B15R2.984 O=C(O)c1cc2ccccc2cc1F Amb27160679 [0,2,0,0,0,0|2,0,0]=4 3622 B15R2.984 O=C(O)c1cc2ccccc2cc1I Amb9677501 [0,2,0,0,0,0|2,0,0]=4 3623 B15R2.984 O=C(O)c1cc2ccccc2cc1O Amb2714487 [0,2,0,0,0,0|1,0,0]=3 3624 B15R2.984 O=C(O)c1cc2ccccc2cc1S Amb17595442 [0,2,0,0,0,0|1,1,0]=4 3625 B15R2.984 O=C(O)c1cc2ccccc2nc1Br Amb25882734 [0,2,0,0,0,0|2,0,0]=4 3626 B15R2.984 O=C(O)c1cc2ccccc2nc1Cl Amb1106612 [0,2,0,0,0,0|2,0,0]=4 3627 B15R2.984 O=C(O)c1cc2ccccc2nc1O Amb17665422 [0,2,0,0,0,0|1,0,1]=4 3628 B15R2.984 O=C(O)c1cc2ccccc2nc1S Amb22396122 [0,2,0,0,0,0|1,1,0]=4 3629 B15R2.984 O=C(O)c1cc2ncccc2cc1O Amb23448900 [0,2,0,0,0,0|2,0,0]=4 3630 B15R2.984 O=C(O)c1nc2ccccc2cc1Br Amb25732803 [0,2,0,0,0,0|2,0,0]=4 3631 B15R2.984 O=C(O)c1nc2ccccc2cc1Cl Amb25183686 [0,2,0,0,0,0|2,0,0]=4 3632 B15R2.984 O=C(O)c1nc2ccccc2cc1F Amb22547385 [0,2,0,0,0,0|2,0,0]=4 3633 B15R2.984 O=C(O)c1nc2ccccc2cc1I Amb28245950 [0,2,0,0,0,0|2,0,0]=4 3634 B15R2.984 O=C(O)c1nc2ccccc2cc1S Amb18655001 [0,2,0,0,0,0|1,1,0]=4 3635 B15R2.984 O=C(O)c1nc2ccccc2nc1O Amb1076430 [0,2,0,0,0,0|2,0,0]=4 3636 B15R2.984 O=C([O-])c1cc2ccccc2cc1O Amb22547753 [0,2,0,0,0,0|1,0,0]=3 3637 B15R2.984 O=C1Nc2ccccc2C=C1B(O)O Amb22372294 [0,2,0,0,0,0|1,0,0]=3 3638 B15R2.984 O=C1Oc2ccccc2C=C1[N+](=O)[O-] Amb19665106 [0,2,0,0,0,0|0,0,1]=3 3639 B15R2.984 O=[N+]([O-])c1cc2ccccc2cc1Br Amb8439062 [0,2,0,0,0,0|2,0,0]=4 3640 B15R2.984 O=[N+]([O-])c1cc2ccccc2cc1I Amb21954251 [0,2,0,0,0,0|2,0,0]=4 3641 B15R2.984 O=[N+]([O-])c1cc2ccccc2cc1O Amb28239713 [0,2,0,0,0,0|1,0,0]=3 3642 B15R2.984 O=[N+]([O-])c1cc2cccnc2cc1O Amb27475621 [0,2,0,0,0,0|2,0,0]=4 3643 B15R2.984 O=[N+]([O-])c1nc2ccccc2cc1O Amb9767543 [0,2,0,0,0,0|1,0,0]=3 3644 B15R2.984 OB(O)c1cc2ccccc2cc1Br Amb28186920 [0,2,0,0,0,0|2,0,0]=4 3645 B15R2.984 OB(O)c1cc2ccccc2cc1Cl Amb26868374 [0,2,0,0,0,0|2,0,0]=4 3646 B15R2.984 OB(O)c1cc2ccccc2cc1O Amb20171354 [0,2,0,0,0,0|1,0,1]=4 3647 B15R2.984 OB(O)c1cc2ccccc2nc1Cl Amb9780881 [0,2,0,0,0,0|2,0,0]=4 3648 B15R2.984 OB(O)c1cc2ccccc2nc1F Amb6357906 [0,2,0,0,0,0|2,0,0]=4 3649 B15R2.984 Oc1cc2ccccc2cc1C(F)F Amb25966014 [0,2,0,0,0,0|2,0,0]=4 3650 B15R2.984 Oc1cc2ccccc2nc1C(F)F Amb27442480 [0,2,0,0,0,0|2,0,0]=4 3651 B15R2.1754 CCc1nc2ccc(C)cc2cc1O Amb33133960 [0,2,0,0,0,0|2,0,0]=4 3652 B15R2.1754 CCc1nc2ccc(Cl)cc2cc1O Amb33133872 [0,2,0,0,0,0|2,0,0]=4 3653 B15R2.1754 CCc1nc2ccc(F)cc2cc1O Amb33133888 [0,2,0,0,0,0|2,0,0]=4 3654 B15R2.1754 CCc1nc2ccc(N)cc2cc1O Amb33133855 [0,2,0,0,0,0|2,0,0]=4 3655 B15R2.1754 CNC1=Cc2ccc(O)cc2OC1=O Amb27773789 [0,2,0,0,0,0|1,0,0]=3 3656 B15R2.1754 COC1=Cc2ccc(O)cc2OC1=O Amb18651005 [0,2,0,0,0,0|0,0,0]=2 3657 B15R2.1754 COC1=Cc2cnc(Cl)cc2NC1=O Amb27450829 [0,2,0,0,0,0|2,0,0]=4 3658 B15R2.1754 COc1cc2ccc(Br)cc2cc1N Amb27494897 [0,2,0,0,0,0|2,0,0]=4 3659 B15R2.1754 COc1cc2ccc(Br)cc2nc1C Amb32684848 [0,2,0,0,0,0|2,0,0]=4 3660 B15R2.1754 Cc1cc2cc(Br)ccc2nc1C=O Amb24378913 [0,2,0,0,0,0|2,0,0]=4 3661 B15R2.1754 Cc1cc2cc(Cl)ccc2nc1C=O Amb26656735 [0,2,0,0,0,0|2,0,0]=4 3662 B15R2.1754 Cc1cc2cc(F)ccc2nc1C=O Amb25936690 [0,2,0,0,0,0|2,0,0]=4 3663 B15R2.1754 Cc1ccc2c(c1)NC(=O)C(C#N)=C2 Amb18527855 [0,2,0,0,0,0|2,0,0]=4 3664 B15R2.1754 Cc1ccc2c(c1)NC(=O)C(C=O)=C2 Amb18014584 [0,2,0,0,0,0|1,0,1]=4 3665 B15R2.1754 Cc1ccc2c(c1)NC(=O)C(CCl)=C2 Amb18015273 [0,2,0,0,0,0|2,0,0]=4 3666 B15R2.1754 Cc1ccc2c(c1)NC(=O)C(CN)=C2 Amb18015330 [0,2,0,0,0,0|2,0,0]=4 3667 B15R2.1754 Cc1ccc2c(c1)NC(=O)C(CO)=C2 Amb18015651 [0,2,0,0,0,0|1,0,0]=3 3668 B15R2.1754 Cc1ccc2c(c1)OC(=O)C(C=O)=C2 Amb27164736 [0,2,0,0,0,0|0,0,1]=3 3669 B15R2.1754 Cc1ccc2cc(C=O)c(O)nc2c1 Amb614417 [0,2,0,0,0,0|2,0,0]=4 3670 B15R2.1754 Cc1ccc2cc(CO)c(Cl)nc2c1 Amb1111362 [0,2,0,0,0,0|2,0,0]=4 3671 B15R2.1754 Cc1ccc2nc(C=O)c(C)cc2c1 Amb25071433 [0,2,0,0,0,0|2,0,0]=4 3672 B15R2.1754 N#CC1=Cc2ccc(Br)cc2NC1=O Amb18527868 [0,2,0,0,0,0|2,0,0]=4 3673 B15R2.1754 N#CC1=Cc2ccc(Cl)cc2NC1=O Amb18527862 [0,2,0,0,0,0|2,0,0]=4 3674 B15R2.1754 N#CC1=Cc2ccc(F)cc2NC1=O Amb18014603 [0,2,0,0,0,0|2,0,0]=4 3675 B15R2.1754 N#CC1=Cc2ccc(F)cc2OC1=O Amb22049820 [0,2,0,0,0,0|1,0,0]=3 3676 B15R2.1754 N#CC1=Cc2ccc(O)cc2OC1=O Amb20242396 [0,2,0,0,0,0|1,0,0]=3 3677 B15R2.1754 N#Cc1cc2ccc(O)cc2oc1=N Amb4106761 [0,2,0,0,0,0|2,0,0]=4 3678 B15R2.1754 NCC1=Cc2ccc(Br)cc2NC1=O Amb18528499 [0,2,0,0,0,0|2,0,0]=4 3679 B15R2.1754 NCC1=Cc2ccc(Cl)cc2NC1=O Amb18015334 [0,2,0,0,0,0|2,0,0]=4 3680 B15R2.1754 NCC1=Cc2ccc(F)cc2NC1=O Amb18528495 [0,2,0,0,0,0|2,0,0]=4 3681 B15R2.1754 NCC1=Cc2ccc(F)cc2NC1=O Amb22586863 [0,2,0,0,0,0|2,0,0]=4 3682 B15R2.1754 Nc1ccc2c(c1)NC(=O)C(C=O)=C2 Amb27847511 [0,2,0,0,0,0|1,0,1]=4 3683 B15R2.1754 Nc1ccc2c(c1)NC(=O)C(CBr)=C2 Amb27419556 [0,2,0,0,0,0|2,0,0]=4 3684 B15R2.1754 O=C1Nc2cc(Br)ccc2C=C1CBr Amb27419667 [0,2,0,0,0,0|2,0,0]=4 3685 B15R2.1754 O=C1Nc2cc(Br)ccc2C=C1CCl Amb18528567 [0,2,0,0,0,0|2,0,0]=4 3686 B15R2.1754 O=C1Nc2cc(Br)ccc2C=C1CO Amb18528802 [0,2,0,0,0,0|1,0,0]=3 3687 B15R2.1754 O=C1Nc2cc(Cl)ccc2C=C1CBr Amb27181987 [0,2,0,0,0,0|2,0,0]=4 3688 B15R2.1754 O=C1Nc2cc(Cl)ccc2C=C1CCl Amb18528560 [0,2,0,0,0,0|2,0,0]=4 3689 B15R2.1754 O=C1Nc2cc(Cl)ccc2C=C1CO Amb18015646 [0,2,0,0,0,0|1,0,0]=3 3690 B15R2.1754 O=C1Nc2cc(F)ccc2C=C1CBr Amb27463264 [0,2,0,0,0,0|2,0,0]=4 3691 B15R2.1754 O=C1Nc2cc(F)ccc2C=C1CCl Amb18015369 [0,2,0,0,0,0|2,0,0]=4 3692 B15R2.1754 O=C1Nc2cc(F)ccc2C=C1CO Amb18528800 [0,2,0,0,0,0|1,0,0]=3 3693 B15R2.1754 O=C1Oc2cc(O)ccc2C=C1CO Amb28365183 [0,2,0,0,0,0|0,0,0]=2 3694 B15R2.1754 O=CC1=Cc2ccc(Br)cc2NC1=O Amb18527825 [0,2,0,0,0,0|1,0,1]=4 3695 B15R2.1754 O=CC1=Cc2ccc(Cl)cc2NC1=O Amb18014594 [0,2,0,0,0,0|1,0,1]=4 3696 B15R2.1754 O=CC1=Cc2ccc(F)cc2NC1=O Amb18014591 [0,2,0,0,0,0|1,0,1]=4 3697 B15R2.1754 O=CC1=Cc2ccc(O)cc2OC1=O Amb27957712 [0,2,0,0,0,0|0,0,1]=3 3698 B15R2.1754 O=Cc1cc2ccc(Cl)cc2nc1O Amb9134203 [0,2,0,0,0,0|2,0,0]=4 3699 B15R2.1754 O=Cc1cc2ccc(O)cc2cc1O Amb27973038 [0,2,0,0,0,0|1,0,0]=3 3700 B15R2.1754 OCc1cc2ccc(Br)cc2nc1Cl Amb5756033 [0,2,0,0,0,0|2,0,0]=4 3701 B15R2.1754 OCc1cc2ccc(Cl)cc2nc1Cl Amb5756028 [0,2,0,0,0,0|2,0,0]=4 3702 B15R2.1754 OCc1cc2ccc(F)cc2nc1Cl Amb5756026 [0,2,0,0,0,0|2,0,0]=4 3703 B15R2.1824 C=CC1=Cc2cc(Cl)ccc2NC1=O Amb27173684 [0,2,0,0,0,0|2,0,0]=4 3704 B15R2.1824 CCc1nc2cc(Br)ccc2cc1O Amb33134037 [0,2,0,0,0,0|2,0,0]=4 3705 B15R2.1824 CCc1nc2cc(Cl)ccc2cc1O Amb33134125 [0,2,0,0,0,0|2,0,0]=4 3706 B15R2.1824 CCc1nc2cc(F)ccc2cc1O Amb33133994 [0,2,0,0,0,0|2,0,0]=4 3707 B15R2.1824 COC1=Cc2cc(Br)ccc2NC1=O Amb25106004 [0,2,0,0,0,0|1,0,0]=3 3708 B15R2.1824 COC1=Cc2cc(Br)cnc2NC1=O Amb28385051 [0,2,0,0,0,0|2,0,0]=4 3709 B15R2.1824 COC1=Cc2cc(C)ccc2NC1=O Amb28125664 [0,2,0,0,0,0|1,0,0]=3 3710 B15R2.1824 COC1=Nc2cc(Cl)ccc2NC1=O Amb27957661 [0,2,0,0,0,0|2,0,0]=4 3711 B15R2.1824 COc1cc2cc(Br)ccc2nc1C Amb31257254 [0,2,0,0,0,0|2,0,0]=4 3712 B15R2.1824 Cc1cc2ccc(Cl)cc2nc1C=O Amb25694150 [0,2,0,0,0,0|2,0,0]=4 3713 B15R2.1824 Cc1cc2ccc(F)cc2nc1C=O Amb25028878 [0,2,0,0,0,0|2,0,0]=4 3714 B15R2.1824 Cc1ccc2c(c1)C=C(C#N)C(=O)N2 Amb18527831 [0,2,0,0,0,0|2,0,0]=4 3715 B15R2.1824 Cc1ccc2c(c1)C=C(C#N)C(=O)O2 Amb18022764 [0,2,0,0,0,0|1,0,0]=3 3716 B15R2.1824 Cc1ccc2c(c1)C=C(C=O)C(=O)N2 Amb18014585 [0,2,0,0,0,0|1,0,1]=4 3717 B15R2.1824 Cc1ccc2c(c1)C=C(CCl)C(=O)N2 Amb18528428 [0,2,0,0,0,0|2,0,0]=4 3718 B15R2.1824 Cc1ccc2c(c1)C=C(CN)C(=O)N2 Amb18015331 [0,2,0,0,0,0|2,0,0]=4 3719 B15R2.1824 Cc1ccc2c(c1)C=C(CN)C(=O)N2 Amb18909677 [0,2,0,0,0,0|2,0,0]=4 3720 B15R2.1824 Cc1ccc2c(c1)C=C(CO)C(=O)N2 Amb18015682 [0,2,0,0,0,0|1,0,0]=3 3721 B15R2.1824 Cc1ccc2cc(Br)c(C=O)cc2c1 Amb27456372 [0,2,0,0,0,0|2,0,0]=4 3722 B15R2.1824 Cc1ccc2cc(C)c(C=O)nc2c1 Amb24718261 [0,2,0,0,0,0|2,0,0]=4 3723 B15R2.1824 Cc1ccc2nc(Cl)c(CO)cc2c1 Amb4448325 [0,2,0,0,0,0|2,0,0]=4 3724 B15R2.1824 Cc1ccc2nc(O)c(C=O)cc2c1 Amb533170 [0,2,0,0,0,0|2,0,0]=4 3725 B15R2.1824 N#CC1=Cc2cc(Br)ccc2NC1=O Amb18527869 [0,2,0,0,0,0|2,0,0]=4 3726 B15R2.1824 N#CC1=Cc2cc(Br)ccc2OC1=O Amb18022770 [0,2,0,0,0,0|1,0,0]=3 3727 B15R2.1824 N#CC1=Cc2cc(Cl)ccc2NC1=O Amb18527863 [0,2,0,0,0,0|2,0,0]=4 3728 B15R2.1824 N#CC1=Cc2cc(Cl)ccc2OC1=O Amb18022769 [0,2,0,0,0,0|1,0,0]=3 3729 B15R2.1824 N#CC1=Cc2cc(F)ccc2NC1=O Amb18527860 [0,2,0,0,0,0|2,0,0]=4 3730 B15R2.1824 NCC1=Cc2cc(Br)ccc2NC1=O Amb18528500 [0,2,0,0,0,0|2,0,0]=4 3731 B15R2.1824 NCC1=Cc2cc(Cl)ccc2NC1=O Amb18015335 [0,2,0,0,0,0|2,0,0]=4 3732 B15R2.1824 NCC1=Cc2cc(Cl)ccc2OC1=O Amb18913832 [0,2,0,0,0,0|1,0,0]=3 3733 B15R2.1824 NCC1=Cc2cc(F)ccc2NC1=O Amb18528496 [0,2,0,0,0,0|2,0,0]=4 3734 B15R2.1824 Nc1cc2ccc(Br)cc2nc1C=O Amb23400483 [0,2,0,0,0,0|2,0,0]=4 3735 B15R2.1824 O=C1Nc2ccc(Br)cc2C=C1CBr Amb27419634 [0,2,0,0,0,0|2,0,0]=4 3736 B15R2.1824 O=C1Nc2ccc(Br)cc2C=C1CCl Amb18528568 [0,2,0,0,0,0|2,0,0]=4 3737 B15R2.1824 O=C1Nc2ccc(Br)cc2C=C1CO Amb18528803 [0,2,0,0,0,0|1,0,0]=3 3738 B15R2.1824 O=C1Nc2ccc(Cl)cc2C=C1CCl Amb18363950 [0,2,0,0,0,0|2,0,0]=4 3739 B15R2.1824 O=C1Nc2ccc(Cl)cc2C=C1CO Amb18015647 [0,2,0,0,0,0|1,0,0]=3 3740 B15R2.1824 O=C1Nc2ccc(F)cc2C=C1CCl Amb18015374 [0,2,0,0,0,0|2,0,0]=4 3741 B15R2.1824 O=C1Nc2ccc(F)cc2C=C1CO Amb18528763 [0,2,0,0,0,0|1,0,0]=3 3742 B15R2.1824 O=CC1=Cc2cc(Br)ccc2NC1=O Amb18372852 [0,2,0,0,0,0|1,0,1]=4 3743 B15R2.1824 O=CC1=Cc2cc(Cl)ccc2NC1=O Amb18014595 [0,2,0,0,0,0|1,0,1]=4 3744 B15R2.1824 O=CC1=Cc2cc(F)ccc2NC1=O Amb18014592 [0,2,0,0,0,0|1,0,1]=4 3745 B15R2.1824 O=Cc1cc2cc(Cl)ccc2nc1O Amb9134202 [0,2,0,0,0,0|2,0,0]=4 3746 B15R2.1824 OCc1cc2cc(Br)ccc2nc1Cl Amb5756034 [0,2,0,0,0,0|2,0,0]=4 3747 B15R2.1824 OCc1cc2cc(Cl)ccc2nc1Cl Amb5756029 [0,2,0,0,0,0|2,0,0]=4 3748 B15R2.1824 OCc1cc2cc(F)ccc2nc1Cl Amb5756027 [0,2,0,0,0,0|2,0,0]=4 3749 B15R2.1824 OCc1cc2cc(O)ccc2cc1O Amb27612675 [0,2,0,0,0,0|1,0,1]=4 3750 B15R2.2039 CCc1nc2cccc(Br)c2cc1O Amb33134017 [0,2,0,0,0,0|2,0,0]=4 3751 B15R2.2039 CCc1nc2cccc(Cl)c2cc1O Amb33134141 [0,2,0,0,0,0|2,0,0]=4 3752 B15R2.2039 COC1=Cc2cccc(Br)c2NC1=O Amb24507901 [0,2,0,0,0,0|1,0,0]=3 3753 B15R2.2039 COC1=Nc2cccc(C)c2NC1=O Amb27957659 [0,2,0,0,0,0|2,0,0]=4 3754 B15R2.2039 COc1cc2cccc(Br)c2nc1C Amb32684849 [0,2,0,0,0,0|2,0,0]=4 3755 B15R2.2039 Cc1cccc2c1NC(=O)C(C#N)=C2 Amb18527854 [0,2,0,0,0,0|2,0,0]=4 3756 B15R2.2039 Cc1cccc2c1NC(=O)C(C=O)=C2 Amb18014583 [0,2,0,0,0,0|1,0,1]=4 3757 B15R2.2039 Cc1cccc2c1NC(=O)C(CCl)=C2 Amb18015385 [0,2,0,0,0,0|2,0,0]=4 3758 B15R2.2039 Cc1cccc2c1NC(=O)C(CN)=C2 Amb18015329 [0,2,0,0,0,0|2,0,0]=4 3759 B15R2.2039 Cc1cccc2c1NC(=O)C(CO)=C2 Amb18015689 [0,2,0,0,0,0|1,0,0]=3 3760 B15R2.2039 Cc1cccc2cc(C=O)c(Cl)cc12 Amb27172978 [0,2,0,0,0,0|2,0,0]=4 3761 B15R2.2039 Cc1cccc2cc(C=O)c(O)nc12 Amb534157 [0,2,0,0,0,0|2,0,0]=4 3762 B15R2.2039 Cc1cccc2cc(CO)c(Cl)nc12 Amb1111428 [0,2,0,0,0,0|2,0,0]=4 3763 B15R2.2039 N#CC1=Cc2cccc(Br)c2NC1=O Amb18527867 [0,2,0,0,0,0|2,0,0]=4 3764 B15R2.2039 N#CC1=Cc2cccc(Cl)c2NC1=O Amb18527861 [0,2,0,0,0,0|2,0,0]=4 3765 B15R2.2039 N#CC1=Cc2cccc(F)c2NC1=O Amb18527859 [0,2,0,0,0,0|2,0,0]=4 3766 B15R2.2039 N#CC1=Cc2cccc(F)c2OC1=O Amb27218501 [0,2,0,0,0,0|1,0,0]=3 3767 B15R2.2039 N#CC1=Cc2cccc(O)c2OC1=N Amb25373021 [0,2,0,0,0,0|2,0,0]=4 3768 B15R2.2039 NCC1=Cc2cccc(Br)c2NC1=O Amb18528498 [0,2,0,0,0,0|2,0,0]=4 3769 B15R2.2039 NCC1=Cc2cccc(Cl)c2NC1=O Amb18015333 [0,2,0,0,0,0|2,0,0]=4 3770 B15R2.2039 NCC1=Cc2cccc(F)c2NC1=O Amb18528494 [0,2,0,0,0,0|2,0,0]=4 3771 B15R2.2039 O=C1Nc2c(Br)cccc2C=C1CCl Amb18528566 [0,2,0,0,0,0|2,0,0]=4 3772 B15R2.2039 O=C1Nc2c(Cl)cccc2C=C1CCl Amb18015379 [0,2,0,0,0,0|2,0,0]=4 3773 B15R2.2039 O=C1Nc2c(F)cccc2C=C1CCl Amb18015350 [0,2,0,0,0,0|2,0,0]=4 3774 B15R2.2039 O=CC1=Cc2cccc(Br)c2NC1=O Amb18527824 [0,2,0,0,0,0|1,0,1]=4 3775 B15R2.2039 O=CC1=Cc2cccc(Cl)c2NC1=O Amb18014593 [0,2,0,0,0,0|1,0,1]=4 3776 B15R2.2039 O=CC1=Cc2cccc(F)c2NC1=O Amb18014590 [0,2,0,0,0,0|1,0,1]=4 3777 B15R2.2039 OCc1cc2cccc(O)c2cc1O Amb26477918 [0,2,0,0,0,0|1,0,1]=4 3778 B15R2.2393 CCc1cc2c(C)cccc2cc1O Amb28365144 [0,2,0,0,0,0|2,0,0]=4 3779 B15R2.2393 CCc1nc2c(Br)cccc2cc1O Amb33133908 [0,2,0,0,0,0|2,0,0]=4 3780 B15R2.2393 CCc1nc2c(C)cccc2cc1O Amb33133927 [0,2,0,0,0,0|2,0,0]=4 3781 B15R2.2393 CCc1nc2c(Cl)cccc2cc1O Amb33134081 [0,2,0,0,0,0|2,0,0]=4 3782 B15R2.2393 CCc1nc2c(F)cccc2cc1O Amb33134052 [0,2,0,0,0,0|2,0,0]=4 3783 B15R2.2393 COC1=Cc2c(Br)cccc2NC1=O Amb25832776 [0,2,0,0,0,0|1,0,0]=3 3784 B15R2.2393 COC1=Cc2c(F)cccc2NC1=O Amb28409797 [0,2,0,0,0,0|1,0,0]=3 3785 B15R2.2393 COC1=Cc2c(ccnc2Cl)NC1=O Amb27223972 [0,2,0,0,0,0|2,0,0]=4 3786 B15R2.2393 COc1cc2c(Br)cccc2nc1C Amb32684850 [0,2,0,0,0,0|2,0,0]=4 3787 B15R2.2393 Cc1cc2cccc(C)c2nc1C=O Amb17594785 [0,2,0,0,0,0|2,0,0]=4 3788 B15R2.2393 Cc1cc2cccc(Cl)c2nc1C=O Amb24643927 [0,2,0,0,0,0|2,0,0]=4 3789 B15R2.2393 Cc1cc2cccc(F)c2nc1C=O Amb25716902 [0,2,0,0,0,0|2,0,0]=4 3790 B15R2.2393 N#CC1=Cc2c(F)cccc2NC1=O Amb28422422 [0,2,0,0,0,0|2,0,0]=4 3791 B15R2.21243 CC1=C(C=O)Oc2ccccc2C1=O Amb18649746 [0,2,0,0,0,0|1,0,0]=3 3792 B15R2.21243 CC1=C(CO)Oc2ccccc2C1=O Amb28453449 [0,2,0,0,0,0|1,0,1]=4 3793 B15R2.21243 CCC1=C(O)C(=O)c2ccccc2O1 Amb28192135 [0,2,0,0,0,0|1,0,0]=3 3794 B15R2.21243 CCC1=Cc2ccccc2N(C)C1=O Amb25814513 [0,2,0,0,0,0|2,0,0]=4 3795 B15R2.21243 CCc1cc2ccccc2c(C)c1O Amb28365145 [0,2,0,0,0,0|2,0,0]=4 3796 B15R2.21243 CCc1nc2ccccc2c(Br)c1O Amb27946958 [0,2,0,0,0,0|2,0,0]=4 3797 B15R2.21243 CN1C(=O)C(C#N)=Cc2ccccc21 Amb18528835 [0,2,0,0,0,0|2,0,0]=4 3798 B15R2.21243 CN1C(=O)C(C=O)=Cc2ccccc21 Amb18526958 [0,2,0,0,0,0|1,0,1]=4 3799 B15R2.21243 CN1C(=O)C(CCl)=Cc2ccccc21 Amb19516787 [0,2,0,0,0,0|2,0,0]=4 3800 B15R2.21243 CN1C(=O)C(CN)=Cc2ccccc21 Amb18280924 [0,2,0,0,0,0|2,0,0]=4 3801 B15R2.21243 CN1C(=O)C(CN)=Cc2ccccc21 Amb33552698 [0,2,0,0,0,0|2,0,0]=4 3802 B15R2.21243 CN1C(=O)C(CO)=Cc2ccccc21 Amb18006219 [0,2,0,0,0,0|1,0,0]=3 3803 B15R2.21243 CNC1=Cc2ccccc2N(C)C1=O Amb27170409 [0,2,0,0,0,0|2,0,0]=4 3804 B15R2.21243 COC1=Cc2ccccc2C(=O)C1=O Amb24744460 [0,2,0,0,0,0|1,0,0]=3 3805 B15R2.21243 COc1cc2ccccc2c(Br)c1O Amb21926717 [0,2,0,0,0,0|1,0,1]=4 3806 B15R2.21243 COc1cc2ccccc2c(O)c1C Amb27189246 [0,2,0,0,0,0|2,0,0]=4 3807 B15R2.21243 COc1cc2ccccc2c(O)c1F Amb35825502 [0,2,0,0,0,0|2,0,0]=4 3808 B15R2.21243 CSC1=Cc2ccccc2N(C)C1=O Amb28206292 [0,2,0,0,0,0|1,1,0]=4 3809 B15R2.21243 Cn1c(=O)c(CCl)cc2ccccc21 Amb1102201 [0,2,0,0,0,0|2,0,0]=4 3810 B15R2.21243 O=Cc1cc2ccccc2c(Br)c1O Amb18667009 [0,2,0,0,0,0|1,0,0]=3 3811 B15R2.1007 CC1=C(F)C(=O)Nc2ccc(Cl)cc21 Amb27387675 [0,2,0,0,0,0|2,0,0]=4 3812 B15R2.1007 CC1=C(N)Oc2ccc(Br)cc2C1=O Amb26448958 [0,2,0,0,0,0|2,0,0]=4 3813 B15R2.1007 CC1=C(O)C(=O)Oc2ccc(O)cc21 Amb28321842 [0,2,0,0,0,0|0,0,0]=2 3814 B15R2.1007 CC1=C(O)Oc2ccc(Cl)cc2C1=O Amb28183913 [0,2,0,0,0,0|1,0,1]=4 3815 B15R2.1007 CC1=C(O)c2cc(Br)ccc2OC1=O Amb26926403 [0,2,0,0,0,0|1,0,0]=3 3816 B15R2.1007 CC1=C(O)c2cc(Cl)ccc2OC1=O Amb19261951 [0,2,0,0,0,0|1,0,0]=3 3817 B15R2.1007 CC1=C(O)c2cc(F)ccc2NC1=O Amb24592612 [0,2,0,0,0,0|2,0,0]=4 3818 B15R2.1007 CC1=C(O)c2cc(O)ccc2OC1=O Amb27828864 [0,2,0,0,0,0|1,0,0]=3 3819 B15R2.1007 Cc1ccc2c(c1)C(O)=C(Br)C(=O)N2 Amb23533634 [0,2,0,0,0,0|2,0,0]=4 3820 B15R2.1007 Cc1ccc2cc(C)c(O)c(N)c2c1 Amb27803980 [0,2,0,0,0,0|2,0,0]=4 3821 B15R2.1007 Cc1ccc2oc(=O)c(Cl)c(C)c2c1 Amb2797827 [0,2,0,0,0,0|1,0,0]=3 3822 B15R2.1007 NC1=C(O)c2cc(Br)ccc2OC1=O Amb27397020 [0,2,0,0,0,0|1,0,0]=3 3823 B15R2.1007 O=C1Cc2ccc(Br)cc2C(=O)N1O Amb27183194 [0,2,0,0,0,0|2,0,0]=4 3824 B15R2.1007 O=C1Nc2ccc(F)cc2C(F)=C1O Amb27403508 [0,2,0,0,0,0|1,0,0]=3 3825 B15R2.1007 O=C1Oc2ccc(Cl)cc2C(O)=C1O Amb25071163 [0,2,0,0,0,0|0,0,0]=2 3826 B15R2.1007 O=C1Oc2ccc(O)cc2C(=O)N1O Amb27750280 [0,2,0,0,0,0|1,0,0]=3 3827 B15R2.1007 Oc1ccc2cc(Br)c(O)c(Br)c2c1 Amb27644640 [0,2,0,0,0,0|2,0,0]=4 3828 B15R2.6237 C#CC1=C(N)C(=O)Oc2ccccc21 Amb27482684 [0,2,0,0,0,0|1,0,0]=3 3829 B15R2.6237 CCC1=C(O)C(=O)Nc2ccccc21 Amb27182442 [0,2,0,0,0,0|1,0,0]=3 3830 B15R2.6237 CCN1C(=O)C(N)=Cc2ccccc21 Amb22372129 [0,2,0,0,0,0|2,0,0]=4 3831 B15R2.6237 CCN1C(=O)C(O)=Cc2ccccc21 Amb27491616 [0,2,0,0,0,0|1,0,0]=3 3832 B15R2.6237 CCN1C(=O)C(O)=Nc2ccccc21 Amb19651675 [0,2,0,0,0,0|2,0,0]=4 3833 B15R2.6237 CCc1c(C)c(O)cc2ccccc12 Amb27828809 [0,2,0,0,0,0|2,0,0]=4 3834 B15R2.6237 CNC1=C(N)C(=O)Oc2ccccc21 Amb19517939 [0,2,0,0,0,0|1,0,0]=3 3835 B15R2.6237 COC1=C(C)C(=O)Oc2ccccc21 Amb22753598 [0,2,0,0,0,0|1,0,0]=3 3836 B15R2.6237 COC1=C(O)C(=O)Oc2ccccc21 Amb22753605 [0,2,0,0,0,0|0,0,0]=2 3837 B15R2.6237 CON1C(=O)C(N)=Cc2ccccc21 Amb27870418 [0,2,0,0,0,0|2,0,0]=4 3838 B15R2.6237 N#Cc1c(O)c(O)cc2ccccc12 Amb28365255 [0,2,0,0,0,0|1,0,1]=4 3839 B15R2.6237 O=Cc1c(O)c(Cl)cc2ccccc12 Amb28365258 [0,2,0,0,0,0|2,0,0]=4 3840 B15R2.6237 O=Nc1c(O)c(Cl)cc2ccccc12 Amb27612712 [0,2,0,0,0,0|2,0,0]=4 3841 B15R2.6237 O=Nc1c(O)c(O)cc2ccccc12 Amb28122374 [0,2,0,0,0,0|1,0,1]=4 3842 B15R2.9032 CC1=C(C)c2ccccc2C(=O)C1=O Amb28457278 [0,2,0,0,0,0|2,0,0]=4 3843 B15R2.9032 CC1=C(N)C(=O)N(C)c2ccccc21 Amb23448332 [0,2,0,0,0,0|2,0,0]=4 3844 B15R2.9032 CC1=C(O)C(=O)N(C)c2ccccc21 Amb22751148 [0,2,0,0,0,0|1,0,0]=3 3845 B15R2.9032 CC1=C(O)C(=O)c2ccccc2C1=O Amb1967769 [0,2,0,0,0,0|2,0,0]=4 3846 B15R2.9032 CC1=C(O)C(=O)c2ccccc2N1C Amb20242314 [0,2,0,0,0,0|2,0,0]=4 3847 B15R2.9032 CC1=C(O)c2ccccc2N(C)C1=O Amb19668039 [0,2,0,0,0,0|2,0,0]=4 3848 B15R2.9032 CN1C(=O)C(Br)=C(Cl)c2ccccc21 Amb32456024 [0,2,0,0,0,0|2,0,0]=4 3849 B15R2.9032 CN1C(=O)C(Br)=C(O)c2ccccc21 Amb20660833 [0,2,0,0,0,0|2,0,0]=4 3850 B15R2.9032 CN1C(=O)C(Cl)=C(O)c2ccccc21 Amb19520628 [0,2,0,0,0,0|2,0,0]=4 3851 B15R2.9032 CN1C(=O)C(I)=C(Cl)c2ccccc21 Amb23509158 [0,2,0,0,0,0|2,0,0]=4 3852 B15R2.9032 CN1C(=O)C(N)=C(O)c2ccccc21 Amb21927455 [0,2,0,0,0,0|2,0,0]=4 3853 B15R2.9032 CN1C(=O)C(O)=C(O)c2ccccc21 Amb21912831 [0,2,0,0,0,0|1,0,0]=3 3854 B15R2.9032 NC1=C(O)C(=O)c2ccccc2C1=O Amb24183009 [0,2,0,0,0,0|2,0,0]=4 3855 B15R2.9032 Nc1c(O)c(N)c2ccccc2c1O Amb17594946 [0,2,0,0,0,0|2,0,0]=4 3856 B15R2.9032 Nc1c(O)c(O)c(N)c2ccccc12 Amb17594950 [0,2,0,0,0,0|1,0,1]=4 3857 B15R2.9032 Nc1c(O)c(O)c2ccccc2c1N Amb17594945 [0,2,0,0,0,0|2,0,0]=4 3858 B15R2.9032 O=C1C(=O)C(=O)c2ccccc2C1=O Amb18048565 [0,2,0,0,0,0|1,0,1]=4 3859 B15R2.9032 O=C1C(=O)c2ccccc2C(Br)=C1Br Amb26839430 [0,2,0,0,0,0|2,0,0]=4 3860 B15R2.9032 O=C1C(O)=C(Br)C(=O)c2ccccc21 Amb4021073 [0,2,0,0,0,0|2,0,0]=4 3861 B15R2.9032 O=C1C(O)=C(O)C(=O)c2ccccc21 Amb539863 [0,2,0,0,0,0|1,0,1]=4 3862 B15R2.9032 Oc1c(Cl)c(O)c2ccccc2c1O Amb27612637 [0,2,0,0,0,0|2,0,0]=4 3863 B15R2.9032 Oc1c(O)c(O)c2ccccc2c1O Amb17595014 [0,2,0,0,0,0|1,0,1]=4 3864 B15R2.13612 CC1=C(C)C(=O)c2cccc(O)c2O1 Amb27750279 [0,2,0,0,0,0|2,0,0]=4 3865 B15R2.13612 CC1=C(N)C(=O)c2cccc(F)c2O1 Amb28072945 [0,2,0,0,0,0|2,0,0]=4 3866 B15R2.13612 CC1=C(O)c2cccc(Br)c2NC1=O Amb25060386 [0,2,0,0,0,0|2,0,0]=4 3867 B15R2.13612 CC1=C(O)c2cccc(Cl)c2NC1=O Amb26866024 [0,2,0,0,0,0|2,0,0]=4 3868 B15R2.13612 Cc1cccc2c(O)c(N)c(=O)oc12 Amb2613169 [0,2,0,0,0,0|1,0,0]=3 3869 B15R2.13612 O=C1Nc2c(F)cccc2C(F)=C1O Amb27950144 [0,2,0,0,0,0|1,0,0]=3 3870 B15R2.13612 O=C1Nc2c(F)cccc2C(O)=C1Br Amb25979715 [0,2,0,0,0,0|2,0,0]=4 3871 B15R2.13612 O=C1Nc2c(F)ccnc2C(F)=C1O Amb27237651 [0,2,0,0,0,0|2,0,0]=4 3872 B15R2.13612 O=C1Oc2c(O)cccc2C(O)=C1O Amb19886340 [0,2,0,0,0,0|0,0,0]=2 3873 B15R2.61372 CC1=C(C)c2c(O)cccc2NC1=O Amb27755062 [0,2,0,0,0,0|2,0,0]=4 3874 B15R2.61372 CC1=C(O)C(=O)c2c(O)cccc2O1 Amb27972961 [0,2,0,0,0,0|1,0,0]=3 3875 B15R2.61372 CN1C(=O)C(F)=Cc2cccc(F)c21 Amb22547155 [0,2,0,0,0,0|2,0,0]=4 3876 B15R2.61372 CN1C(=O)Oc2cccc(F)c2C1=O Amb28139867 [0,2,0,0,0,0|2,0,0]=4 3877 B15R2.61372 Cc1c(O)cc2cccc(C)c2c1O Amb28253938 [0,2,0,0,0,0|2,0,0]=4 3878 B15R2.61372 Cc1cccc2c1C(F)=C(O)C(=O)N2 Amb28434675 [0,2,0,0,0,0|1,0,0]=3 3879 B15R2.61372 O=C1C(=O)c2c(O)cccc2C=C1Cl Amb27164640 [0,2,0,0,0,0|2,0,0]=4 3880 B15R2.63893 CC1=C(Br)C(=O)Oc2cc(O)ccc21 Amb19935634 [0,2,0,0,0,0|1,0,0]=3 3881 B15R2.63893 CC1=C(C)C(=O)c2ccc(O)cc2O1 Amb27952441 [0,2,0,0,0,0|2,0,0]=4 3882 B15R2.63893 CC1=C(C)c2ccc(O)cc2OC1=O Amb19650861 [0,2,0,0,0,0|1,0,0]=3 3883 B15R2.63893 CC1=C(Cl)C(=O)Oc2cc(O)ccc21 Amb20171421 [0,2,0,0,0,0|1,0,0]=3 3884 B15R2.63893 CC1=C(F)C(=O)Oc2cc(O)ccc21 Amb18384134 [0,2,0,0,0,0|1,0,0]=3 3885 B15R2.63893 CC1=C(O)C(=O)Oc2cc(N)ccc21 Amb28398149 [0,2,0,0,0,0|0,0,0]=2 3886 B15R2.63893 CC1=C(O)C(=O)Oc2cc(O)ccc21 Amb28202029 [0,2,0,0,0,0|0,0,0]=2 3887 B15R2.63893 CC1=Cc2cc(N)ccc2N(C)C1=O Amb22901108 [0,2,0,0,0,0|2,0,0]=4 3888 B15R2.63893 CN1C(=O)C(O)=Nc2cc(N)ccc21 Amb19882074 [0,2,0,0,0,0|2,0,0]=4 3889 B15R2.63893 CN1C(=O)C(O)=Nc2cc(N)ccc21 Amb21894572 [0,2,0,0,0,0|2,0,0]=4 3890 B15R2.63893 Cc1c(O)c2ccc(O)cc2oc1=O Amb5718551 [0,2,0,0,0,0|1,0,0]=3 3891 B15R2.63893 Cc1ccc2c(C)c(C)c(O)cc2c1 Amb27802583 [0,2,0,0,0,0|2,0,0]=4 3892 B15R2.63893 Cc1ccc2c(C)c(Cl)c(=O)oc2c1 Amb2797826 [0,2,0,0,0,0|1,0,0]=3 3893 B15R2.63893 NC1=C(O)c2ccc(Cl)cc2NC1=O Amb28068797 [0,2,0,0,0,0|2,0,0]=4 3894 B15R2.63893 O=C1Nc2cc(F)ccc2C(F)=C1O Amb28251152 [0,2,0,0,0,0|1,0,0]=3 3895 B15R2.13981 Cc1c(O)ccc2cc(O)c(O)cc12 Amb28054361 [0,2,0,0,0,0|1,0,1]=4 3896 B15R2.13981 O=C1Nc2c(ccc(Cl)c2Cl)C=C1Br Amb23509995 [0,2,0,0,0,0|2,0,0]=4 3897 B15R2.13981 O=C1Nc2ccc(Cl)c(F)c2C=C1O Amb27588076 [0,2,0,0,0,0|1,0,0]=3 3898 B15R2.13981 O=C1Nc2ccc(F)c(Cl)c2C=C1O Amb28345610 [0,2,0,0,0,0|1,0,0]=3 3899 B15R2.13981 O=C1Oc2c(ccc(O)c2O)C=C1O Amb28351365 [0,2,0,0,0,0|0,0,0]=2 3900 B15R2.21336 CC1=Cc2cc(CCl)ccc2NC1=O Amb18529720 [0,2,0,0,0,0|2,0,0]=4 3901 B15R2.21336 CC1=Cc2cc(CN)ccc2NC1=O Amb18023596 [0,2,0,0,0,0|2,0,0]=4 3902 B15R2.21336 CC1=Cc2cc(CN)ccc2NC1=O Amb18364025 [0,2,0,0,0,0|2,0,0]=4 3903 B15R2.21336 CC1=Cc2ccc(CCl)cc2NC1=O Amb18529718 [0,2,0,0,0,0|2,0,0]=4 3904 B15R2.21336 CCc1ccc2cc(O)c(O)cc2c1 Amb28201063 [0,2,0,0,0,0|1,0,1]=4 3905 B15R2.21336 CCc1ccc2nc(C)c(O)cc2c1 Amb33133976 [0,2,0,0,0,0|2,0,0]=4 3906 B15R2.21336 COc1ccc2c(c1)C=C(Br)C(=O)O2 Amb23580466 [0,2,0,0,0,0|1,0,0]=3 3907 B15R2.21336 COc1ccc2c(c1)C=C(C)C(=O)N2 Amb18368687 [0,2,0,0,0,0|2,0,0]=4 3908 B15R2.21336 COc1ccc2c(c1)C=C(F)C(=O)N2 Amb22641637 [0,2,0,0,0,0|2,0,0]=4 3909 B15R2.21336 COc1ccc2c(c1)C=C(N)C(=O)O2 Amb18650741 [0,2,0,0,0,0|1,0,0]=3 3910 B15R2.21336 COc1ccc2c(c1)NC(=O)C(Br)=C2 Amb25342187 [0,2,0,0,0,0|2,0,0]=4 3911 B15R2.21336 COc1ccc2c(c1)NC(=O)C(C)=C2 Amb18049043 [0,2,0,0,0,0|2,0,0]=4 3912 B15R2.21336 COc1ccc2c(c1)OC(=O)C(=O)N2 Amb27830094 [0,2,0,0,0,0|1,0,1]=4 3913 B15R2.21336 COc1ccc2c(c1)OC(=O)C(Br)=C2 Amb23580467 [0,2,0,0,0,0|1,0,0]=3 3914 B15R2.21336 COc1ccc2c(c1)OC(=O)C(C)=C2 Amb27222195 [0,2,0,0,0,0|1,0,0]=3 3915 B15R2.21336 COc1ccc2c(c1)OC(=O)C(N)=C2 Amb18650742 [0,2,0,0,0,0|1,0,0]=3 3916 B15R2.21336 COc1ccc2cc(N)c(O)cc2c1 Amb28119190 [0,2,0,0,0,0|2,0,0]=4 3917 B15R2.21336 COc1ccc2cc(O)c(C)nc2c1 Amb33134105 [0,2,0,0,0,0|2,0,0]=4 3918 B15R2.21336 COc1ccc2nc(Br)c(O)cc2c1 Amb24360524 [0,2,0,0,0,0|2,0,0]=4 3919 B15R2.21336 COc1ccc2nc(C)c(O)cc2c1 Amb33133942 [0,2,0,0,0,0|2,0,0]=4 3920 B15R2.21336 CSc1ccc2cc(O)c(O)cc2c1 Amb24707022 [0,2,0,0,0,0|1,0,1]=4 3921 B15R2.21336 N#Cc1ccc2c(c1)OC(=O)C(=O)N2 Amb18129736 [0,2,0,0,0,0|1,0,1]=4 3922 B15R2.21336 N#Cc1ccc2cc(N)c(O)cc2c1 Amb28120658 [0,2,0,0,0,0|2,0,0]=4 3923 B15R2.21336 O=Cc1ccc2c(c1)OC(=O)C(=O)N2 Amb27954569 [0,2,0,0,0,0|1,0,1]=4 3924 B15R2.59733 CC1=CC2=C(C=C(N)C(=O)O2)C(=O)O1 Amb27749293 [0,2,0,0,0,0|2,0,0]=4 3925 B15R2.59733 CC1=Cc2cc(C)cc(N)c2NC1=O Amb27396054 [0,2,0,0,0,0|2,0,0]=4 3926 B15R2.59733 CC1=Cc2cc(F)cc(N)c2NC1=O Amb25952757 [0,2,0,0,0,0|2,0,0]=4 3927 B15R2.59733 CC1=Cc2cc(N)cc(C)c2NC1=O Amb24345851 [0,2,0,0,0,0|2,0,0]=4 3928 B15R2.59733 CC1=Cc2cc(N)cc(F)c2NC1=O Amb28048080 [0,2,0,0,0,0|2,0,0]=4 3929 B15R2.59733 Cc1cc(Br)cc2c1OC(=O)C(N)=C2 Amb27972519 [0,2,0,0,0,0|1,0,0]=3 3930 B15R2.59733 Cc1cc(C)c2c(c1)NC(=O)C(F)=C2 Amb22547380 [0,2,0,0,0,0|2,0,0]=4 3931 B15R2.59733 Cc1nc2c(Br)cc(Br)cc2cc1O Amb2420079 [0,2,0,0,0,0|2,0,0]=4 3932 B15R2.59733 N=C1Cc2c(O)cc(O)cc2OC1=O Amb28199894 [0,2,0,0,0,0|1,0,1]=4 3933 B15R2.59733 NC1=Cc2c(F)cc(F)cc2OC1=O Amb28136982 [0,2,0,0,0,0|1,0,0]=3 3934 B15R2.59733 NC1=Cc2cc(F)cc(F)c2OC1=O Amb27207048 [0,2,0,0,0,0|1,0,0]=3 3935 B15R2.59733 O=C1Nc2c(Cl)cc(Cl)cc2C=C1Cl Amb23509998 [0,2,0,0,0,0|2,0,0]=4 3936 B15R2.59733 O=C1Nc2c(Cl)cc(Cl)cc2N=C1O Amb19815277 [0,2,0,0,0,0|2,0,0]=4 3937 B15R2.59733 O=C1Oc2cc(O)cc(O)c2C=C1O Amb25987799 [0,2,0,0,0,0|0,0,0]=2 3938 B15R2.59733 Oc1cc2c(Cl)cc(Br)cc2cc1Br Amb28318122 [0,2,0,0,0,0|2,0,0]=4 3939 B15R2.62227 CC1=Cc2cc(C)c(C)cc2NC1=O Amb18548646 [0,2,0,0,0,0|2,0,0]=4 3940 B15R2.62227 CC1=Cc2cc(O)c(O)cc2OC1=O Amb24309328 [0,2,0,0,0,0|1,0,0]=3 3941 B15R2.62227 Cc1cc2c(cc1C)OC(=O)C(N)=C2 Amb33129809 [0,2,0,0,0,0|1,0,0]=3 3942 B15R2.62227 O=C1Nc2cc(F)c(F)cc2C=C1Br Amb28044974 [0,2,0,0,0,0|2,0,0]=4 3943 B15R2.62227 O=C1Oc2cc(O)c(O)cc2C=C1O Amb27612776 [0,2,0,0,0,0|0,0,0]=2 3944 B15R2.62227 Oc1cc2cc(Br)c(O)cc2cc1Br Amb26602154 [0,2,0,0,0,0|2,0,0]=4 3945 B15R2.62227 Oc1cc2cc(O)c(Br)cc2cc1Br Amb2781724 [0,2,0,0,0,0|2,0,0]=4 3946 B15R2.63633 CC1=Cc2c(C)ccc(C)c2NC1=O Amb18049041 [0,2,0,0,0,0|2,0,0]=4 3947 B15R2.63633 Cc1ccc(F)c2c1C=C(O)C(=O)N2 Amb27588075 [0,2,0,0,0,0|1,0,0]=3 3948 B15R2.63633 Cc1ccc(F)c2c1NC(=O)C(O)=C2 Amb28071117 [0,2,0,0,0,0|1,0,0]=3 3949 B15R2.63633 O=C1C=CC(=O)c2cc(O)c(O)cc21 Amb17594932 [0,2,0,0,0,0|1,0,1]=4 3950 B15R2.63633 O=C1Nc2c(Cl)ccc(Cl)c2C=C1Br Amb23449366 [0,2,0,0,0,0|2,0,0]=4 3951 B15R2.63633 O=C1Nc2c(Cl)ccc(Cl)c2C=C1O Amb28241027 [0,2,0,0,0,0|1,0,0]=3 3952 B15R2.86973 CCc1cccc2c1NC(=O)C(F)=C2 Amb22547232 [0,2,0,0,0,0|2,0,0]=4 3953 B15R2.86973 CCc1cccc2c1NC(=O)C(O)=C2 Amb28325810 [0,2,0,0,0,0|1,0,0]=3 3954 B15R2.86973 CCc1cccc2cc(O)c(C)nc12 Amb33134174 [0,2,0,0,0,0|2,0,0]=4 3955 B15R2.86973 COc1cccc2c1C=C(C)C(=O)N2 Amb28409067 [0,2,0,0,0,0|2,0,0]=4 3956 B15R2.86973 COc1cccc2c1C=C(N)C(=O)O2 Amb27746878 [0,2,0,0,0,0|1,0,0]=3 3957 B15R2.86973 COc1cccc2c1OC(=O)C(=O)N2 Amb27173704 [0,2,0,0,0,0|1,0,1]=4 3958 B15R2.86973 COc1cccc2c1OC(=O)C(C)=C2 Amb27495681 [0,2,0,0,0,0|1,0,0]=3 3959 B15R2.86973 COc1cccc2cc(C)c(O)cc12 Amb28365138 [0,2,0,0,0,0|2,0,0]=4 3960 B15R2.86973 COc1cccc2cc(O)c(C)nc12 Amb33134158 [0,2,0,0,0,0|2,0,0]=4 3961 B15R2.86973 COc1cccc2nc(C)c(O)cc12 Amb33134193 [0,2,0,0,0,0|2,0,0]=4 3962 B13R2.27 O=C1CC\C1=C/c2ccccc2 Amb25366584 [0,0,1,1,0,0|2,0,0]=4 3963 B13R2.27 O=C1CS\C1=C\c2ccccc2 Amb17594489 [0,0,1,1,0,0|1,1,0]=4 3964 B13R2.373 C=C1CN(c2ccccc2)C1=O Amb27808537 [0,0,1,1,0,0|2,0,0]=4 3965 B13R2.373 O=C1C=C(c2ccccc2)C1=O Amb22172059 [0,0,1,1,0,0|1,0,1]=4 3966 B13R2.423 O=C(O)C1=C(c2ccccc2)C1 Amb28121109 [0,0,1,1,0,0|1,0,0]=3 3967 B13R2.423 O=C(O)C1OC1c2ccccc2 Amb3775834 [0,0,1,1,0,0|0,0,2]=4 3968 B13R2.435 CC(=O)C1=Cc2ccccc2C1 Amb17777848 [0,0,1,1,0,0|2,0,0]=4 3969 B13R2.435 CC(=O)c1cc2ccccc2o1 Amb1212626 [0,0,1,1,0,0|1,0,0]=3 3970 B13R2.435 CC(=O)c1cc2ccccc2s1 Amb5719845 [0,0,1,1,0,0|1,1,0]=4 3971 B13R2.435 CC(=O)c1cc2ccncc2o1 Amb18830115 [0,0,1,1,0,0|2,0,0]=4 3972 B13R2.435 CC(=O)c1cc2cnccc2o1 Amb18830138 [0,0,1,1,0,0|2,0,0]=4 3973 B13R2.435 CC(=O)c1nc2ccccc2o1 Amb19957805 [0,0,1,1,0,0|2,0,0]=4 3974 B13R2.435 CC(O)c1cc2ccccc2o1 Amb433076 [0,0,1,1,0,0|1,0,1]=4 3975 B13R2.435 C[C@@H](O)c1cc2ccccc2o1 Amb13952988 [0,0,1,1,0,0|1,0,1]=4 3976 B13R2.435 C[C@H](O)c1cc2ccccc2o1 Amb13952987 [0,0,1,1,0,0|1,0,1]=4 3977 B13R2.435 N=C(N)c1cc2ccccc2o1 Amb19374967 [0,0,1,1,0,0|2,0,0]=4 3978 B13R2.435 NC(=O)C1=Cc2ccccc2C1 Amb22227964 [0,0,1,1,0,0|2,0,0]=4 3979 B13R2.435 NC(=O)c1cc2ccccc2o1 Amb6337587 [0,0,1,1,0,0|1,0,0]=3 3980 B13R2.435 NC(=O)c1cc2ccccc2s1 Amb6341890 [0,0,1,1,0,0|1,1,0]=4 3981 B13R2.435 NC(=O)c1nc2ccccc2o1 Amb22500295 [0,0,1,1,0,0|2,0,0]=4 3982 B13R2.435 NC(=S)c1cc2ccccc2o1 Amb8834038 [0,0,1,1,0,0|1,1,0]=4 3983 B13R2.435 O=C(Cl)c1cc2ccccc2o1 Amb2684582 [0,0,1,1,0,0|1,0,0]=3 3984 B13R2.435 O=C(Cl)c1cc2ccccc2s1 Amb2723175 [0,0,1,1,0,0|1,1,0]=4 3985 B13R2.435 O=C(O)C1=Cc2ccccc2C1 Amb10553818 [0,0,1,1,0,0|1,0,0]=3 3986 B13R2.435 O=C(O)C1=Nc2ccccc2C1 Amb24078944 [0,0,1,1,0,0|1,0,1]=4 3987 B13R2.435 O=C(O)C1Cc2ccccc2O1 Amb1154832 [0,0,1,1,0,0|0,0,2]=4 3988 B13R2.435 O=C(O)C1Oc2ccccc2O1 Amb535196 [0,0,1,1,0,0|1,0,1]=4 3989 B13R2.435 O=C(O)C1Oc2ccccc2S1 Amb27477990 [0,0,1,1,0,0|1,0,1]=4 3990 B13R2.435 O=C(O)[C@@H]1Cc2ccccc2O1 Amb28396501 [0,0,1,1,0,0|0,0,2]=4 3991 B13R2.435 O=C(O)c1cc2ccccc2[se]1 Amb2611625 [0,0,1,1,0,0|0,1,0]=3 3992 B13R2.435 O=C(O)c1cc2ccccc2o1 Amb1203290 [0,0,1,1,0,0|0,0,0]=2 3993 B13R2.435 O=C(O)c1cc2ccccc2s1 Amb6335225 [0,0,1,1,0,0|0,1,0]=3 3994 B13R2.435 O=C(O)c1cc2ccccn2c1 Amb2610302 [0,0,1,1,0,0|2,0,0]=4 3995 B13R2.435 O=C(O)c1cc2ccccn2n1 Amb2235996 [0,0,1,1,0,0|2,0,0]=4 3996 B13R2.435 O=C(O)c1cc2cccnc2o1 Amb8383389 [0,0,1,1,0,0|1,0,0]=3 3997 B13R2.435 O=C(O)c1cc2cccnc2s1 Amb2723080 [0,0,1,1,0,0|1,1,0]=4 3998 B13R2.435 O=C(O)c1cc2ccncc2o1 Amb18645760 [0,0,1,1,0,0|1,0,0]=3 3999 B13R2.435 O=C(O)c1cc2ccncc2s1 Amb18824745 [0,0,1,1,0,0|1,1,0]=4 4000 B13R2.435 O=C(O)c1cc2cnccc2o1 Amb18645761 [0,0,1,1,0,0|1,0,0]=3 4001 B13R2.435 O=C(O)c1cc2cnccc2s1 Amb18648240 [0,0,1,1,0,0|1,1,0]=4 4002 B13R2.435 O=C(O)c1cc2cncnc2o1 Amb18142231 [0,0,1,1,0,0|2,0,0]=4 4003 B13R2.435 O=C(O)c1cc2cnncc2o1 Amb27224397 [0,0,1,1,0,0|2,0,0]=4 4004 B13R2.435 O=C(O)c1cc2ncccc2o1 Amb17774703 [0,0,1,1,0,0|1,0,0]=3 4005 B13R2.435 O=C(O)c1cc2ncccc2o1 Amb7173138 [0,0,1,1,0,0|1,0,0]=3 4006 B13R2.435 O=C(O)c1cc2ncccc2s1 Amb9677586 [0,0,1,1,0,0|1,1,0]=4 4007 B13R2.435 O=C(O)c1cc2nccnc2o1 Amb18829111 [0,0,1,1,0,0|2,0,0]=4 4008 B13R2.435 O=C(O)c1cn2ccccc2n1 Amb1106602 [0,0,1,1,0,0|2,0,0]=4 4009 B13R2.435 O=C(O)c1cn2ccccc2n1 Amb19514889 [0,0,1,1,0,0|2,0,0]=4 4010 B13R2.435 O=C(O)c1cn2ccccc2n1 Amb2688822 [0,0,1,1,0,0|2,0,0]=4 4011 B13R2.435 O=C(O)c1nc2ccccc2o1 Amb10066905 [0,0,1,1,0,0|1,0,0]=3 4012 B13R2.435 O=C(O)c1nc2ccccc2s1 Amb17622301 [0,0,1,1,0,0|1,1,0]=4 4013 B13R2.435 O=C(O)c1nc2ccccc2s1 Amb3428729 [0,0,1,1,0,0|1,1,0]=4 4014 B13R2.435 O=C(O)c1nc2cnccc2o1 Amb32691510 [0,0,1,1,0,0|2,0,0]=4 4015 B13R2.435 O=C(O)c1nc2ncccc2o1 Amb18829106 [0,0,1,1,0,0|2,0,0]=4 4016 B13R2.435 O=C([O-])c1nc2ccccc2o1 Amb19651173 [0,0,1,1,0,0|1,0,1]=4 4017 B13R2.435 O=C([O-])c1nc2ccccc2o1 Amb19944614 [0,0,1,1,0,0|1,0,1]=4 4018 B13R2.435 O=C([O-])c1nc2ccccc2o1 Amb21961465 [0,0,1,1,0,0|1,0,1]=4 4019 B13R2.435 O=S([O-])c1cc2ccccc2o1 Amb32754314 [0,0,1,1,0,0|1,0,1]=4 4020 B13R2.435 O=[N+]([O-])c1cc2ccccc2o1 Amb19958202 [0,0,1,1,0,0|1,0,1]=4 4021 B13R2.435 OB(O)c1cc2ccccc2o1 Amb2447248 [0,0,1,1,0,0|1,0,1]=4 4022 B13R2.13685 O=C(O)C1Oc2ccc(cc2)O1 Amb27172678 [0,0,1,1,0,0|1,0,1]=4 4023 B13R2.336 O=C1NC=CC2=CC=CC=C1C2 Amb27449234 [0,0,1,1,0,0|2,0,0]=4 4024 B13R2.4745 O=C1C=C2C=CC=CC=C2C1=O Amb27754142 [0,0,1,1,0,0|1,0,1]=4 4025 B13R2.163 O=C1Cc2ccccc2C=CN1 Amb9798874 [0,0,1,1,0,0|2,0,0]=4 4026 B13R2.163 O=C1Nc2ccccc2C=NO1 Amb28255633 [0,0,1,1,0,0|2,0,0]=4 4027 B13R2.163 O=C1OC=Nc2ccccc2O1 Amb24376626 [0,0,1,1,0,0|1,0,0]=3 4028 B13R2.292 O=C=Nc1cccc2occc12 Amb27419776 [0,0,1,1,0,0|1,0,1]=4 4029 B13R2.1613 O=Cc1cccc2ccccc12 Amb2792749 [0,0,1,1,0,0|2,0,0]=4 4030 B13R2.1613 O=Cc1nccc2ccccc12 Amb8010574 [0,0,1,1,0,0|2,0,0]=4 4031 B13R2.54 CCc1cc2c(O)cccc2o1 Amb27750246 [0,0,1,1,0,0|1,0,1]=4 4032 B13R2.54 Cc1cccc2oc(C=O)cc12 Amb18830290 [0,0,1,1,0,0|1,0,0]=3 4033 B13R2.54 Cc1cccc2sc(C=O)cc12 Amb18675011 [0,0,1,1,0,0|1,1,0]=4 4034 B13R2.54 Cc1nccc2oc(C=O)cc12 Amb18830129 [0,0,1,1,0,0|2,0,0]=4 4035 B13R2.54 N#Cc1cc2c(O)cccc2o1 Amb24364131 [0,0,1,1,0,0|1,0,1]=4 4036 B13R2.54 NCc1cc2c(O)cccc2o1 Amb27634339 [0,0,1,1,0,0|1,0,1]=4 4037 B13R2.54 Nc1cccc2oc(C=O)cc12 Amb18830105 [0,0,1,1,0,0|1,0,0]=3 4038 B13R2.54 Nc1nccc2oc(C=O)cc12 Amb32659214 [0,0,1,1,0,0|2,0,0]=4 4039 B13R2.54 O=Cc1cc2c(Br)cccc2o1 Amb18754939 [0,0,1,1,0,0|1,0,0]=3 4040 B13R2.54 O=Cc1cc2c(Br)cccc2s1 Amb18156449 [0,0,1,1,0,0|1,1,0]=4 4041 B13R2.54 O=Cc1cc2c(Br)nccc2o1 Amb18160775 [0,0,1,1,0,0|2,0,0]=4 4042 B13R2.54 O=Cc1cc2c(Cl)cccc2s1 Amb10975246 [0,0,1,1,0,0|1,1,0]=4 4043 B13R2.54 O=Cc1cc2c(Cl)nccc2o1 Amb18648558 [0,0,1,1,0,0|2,0,0]=4 4044 B13R2.54 O=Cc1cc2c(F)cccc2s1 Amb18141133 [0,0,1,1,0,0|1,1,0]=4 4045 B13R2.54 O=Cc1cc2c(I)cccc2s1 Amb27207327 [0,0,1,1,0,0|1,1,0]=4 4046 B13R2.54 O=Cc1cc2c(O)cccc2o1 Amb27209821 [0,0,1,1,0,0|0,0,0]=2 4047 B13R2.54 O=Cc1cc2c(O)cccc2s1 Amb32667665 [0,0,1,1,0,0|0,1,0]=3 4048 B13R2.54 O=Cc1cc2c(O)nccc2o1 Amb18829556 [0,0,1,1,0,0|1,0,0]=3 4049 B13R2.54 O=Cc1nc2c(Br)cccc2o1 Amb22756790 [0,0,1,1,0,0|2,0,0]=4 4050 B13R2.54 O=Cc1nc2c(Cl)cccc2o1 Amb25057912 [0,0,1,1,0,0|2,0,0]=4 4051 B13R2.54 O=Cc1nc2c(F)cccc2o1 Amb18828624 [0,0,1,1,0,0|2,0,0]=4 4052 B13R2.54 O=Cc1nc2c(O)cccc2o1 Amb27851721 [0,0,1,1,0,0|1,0,0]=3 4053 B13R2.54 O=Cc1nc2c(O)cccc2s1 Amb18824743 [0,0,1,1,0,0|1,1,0]=4 4054 B13R2.54 O=Cc1nc2c(S)cccc2o1 Amb27268657 [0,0,1,1,0,0|1,1,0]=4 4055 B13R2.54 O=Cc1nc2cccc(O)c2o1 Amb27463591 [0,0,1,1,0,0|2,0,0]=4 4056 B13R2.54 O=Cc1nc2cccc(O)c2s1 Amb25724431 [0,0,1,1,0,0|2,0,0]=4 4057 B13R2.54 Oc1cccc2oc(CF)cc12 Amb28129331 [0,0,1,1,0,0|1,0,1]=4 4058 B13R3.28 C1=Cc2ccccc2N3C=C13 Amb26478756 [1,0,0,1,0,0|2,0,0]=4 4059 B13R3.1970 c1ccc2cc3c(cc2c1)C3 Amb27186095 [1,0,0,1,0,0|2,0,0]=4 4060 B15R3.4266 c1ccc2cc3c(cc2c1)COC3 Amb28292580 [0,1,0,1,0,0|2,0,0]=4 4061 B15R3.4266 c1ccc2cc3nocc3cc2c1 Amb25212657 [0,1,0,1,0,0|2,0,0]=4 4062 B15R3.4266 c1ccc2cc3nonc3cc2c1 Amb25918234 [0,1,0,1,0,0|2,0,0]=4 4063 B15R3.15145 O=C1Nc2cc3ccccc3cc21 Amb27607801 [0,1,0,1,0,0|2,0,0]=4 4064 B15R3.15145 OC1Cc2cc3ccccc3cc21 Amb27197939 [0,1,0,1,0,0|2,0,0]=4 4065 B11R1.35 C\C(=C/c1ccco1)C(=O)O Amb5743924 [0,0,1,0,1,0|2,0,0]=4 4066 B11R1.35 C\C(=C/c1cccs1)C(=O)O Amb5743925 [0,0,1,0,1,0|2,0,0]=4 4067 B11R1.35 C\C(=C/c1ccoc1)C(=O)O Amb27975673 [0,0,1,0,1,0|2,0,0]=4 4068 B11R1.35 C\C(=C\c1ccco1)C(=O)O Amb4010273 [0,0,1,0,1,0|2,0,0]=4 4069 B11R1.35 C\C(=C\c1ccsc1)C(=O)O Amb28069074 [0,0,1,0,1,0|2,0,0]=4 4070 B11R1.35 N\C(=C\c1ccco1)C(=O)O Amb27493744 [0,0,1,0,1,0|2,0,0]=4 4071 B11R1.35 O=C(O)\C(F)=C\c1cccs1 Amb27470240 [0,0,1,0,1,0|2,0,0]=4 4072 B11R1.36 C=C(Br)C(=O)c1ccccc1 Amb25208336 [0,0,1,0,1,0|1,0,0]=3 4073 B11R1.36 C=C(C(=O)O)c1ccccc1 Amb8628277 [0,0,1,0,1,0|1,0,0]=3 4074 B11R1.36 C=C(C(=O)O)c1cccnc1 Amb24578705 [0,0,1,0,1,0|2,0,0]=4 4075 B11R1.36 C=C(C(=O)O)c1ccncc1 Amb26880206 [0,0,1,0,1,0|2,0,0]=4 4076 B11R1.36 C=C(C)C(=O)c1ccccc1 Amb17593661 [0,0,1,0,1,0|1,0,0]=3 4077 B11R1.36 C=C(C)C(=O)c1ccccn1 Amb27648526 [0,0,1,0,1,0|2,0,0]=4 4078 B11R1.36 C=C(C)C(=O)c1cccnc1 Amb25139926 [0,0,1,0,1,0|2,0,0]=4 4079 B11R1.36 C=C(C)C(=O)c1ccncc1 Amb24413658 [0,0,1,0,1,0|2,0,0]=4 4080 B11R1.36 C=C(Cl)C(=O)c1ccccc1 Amb28075337 [0,0,1,0,1,0|1,0,0]=3 4081 B11R1.36 CC(=O)C(=O)c1ccccc1 Amb2099500 [0,0,1,0,1,0|0,0,2]=4 4082 B11R1.36 CC(=O)C(O)c1ccccc1 Amb17593725 [0,0,1,0,1,0|1,0,1]=4 4083 B11R1.36 CC(=O)N(O)c1ccccc1 Amb9786754 [0,0,1,0,1,0|2,0,0]=4 4084 B11R1.36 CC(=O)[C@@H](O)c1ccccc1 Amb17619252 [0,0,1,0,1,0|1,0,1]=4 4085 B11R1.36 CC(=O)[C@H](O)c1ccccc1 Amb25088683 [0,0,1,0,1,0|1,0,1]=4 4086 B11R1.36 CC(C(=O)O)c1ccccc1 Amb2720839 [0,0,1,0,1,0|1,0,1]=4 4087 B11R1.36 CC(O)C(=O)c1ccccc1 Amb18799361 [0,0,1,0,1,0|0,0,2]=4 4088 B11R1.36 CN(O)C(=O)c1ccccc1 Amb25082592 [0,0,1,0,1,0|1,0,1]=4 4089 B11R1.36 C[C@@H](C(=O)O)c1ccccc1 Amb8514913 [0,0,1,0,1,0|1,0,1]=4 4090 B11R1.36 C[C@H](C(=O)O)c1ccccc1 Amb3938973 [0,0,1,0,1,0|1,0,1]=4 4091 B11R1.36 N=C(N)C(=O)c1ccccc1 Amb27654024 [0,0,1,0,1,0|2,0,0]=4 4092 B11R1.36 NC(=O)C(=O)c1ccccc1 Amb18560879 [0,0,1,0,1,0|1,0,1]=4 4093 B11R1.36 NC(=O)C(O)c1ccccc1 Amb2611605 [0,0,1,0,1,0|1,0,1]=4 4094 B11R1.36 NC(=O)[C@@H](O)c1ccccc1 Amb20671372 [0,0,1,0,1,0|1,0,1]=4 4095 B11R1.36 NC(=O)[C@H](O)c1ccccc1 Amb20671371 [0,0,1,0,1,0|1,0,1]=4 4096 B11R1.36 NC(=S)C(=O)c1ccccc1 Amb6892994 [0,0,1,0,1,0|1,1,0]=4 4097 B11R1.36 NC(C(=O)O)c1ccccc1 Amb1869285 [0,0,1,0,1,0|1,0,1]=4 4098 B11R1.36 N[C@@H](C(=O)O)c1ccccc1 Amb22745585 [0,0,1,0,1,0|1,0,1]=4 4099 B11R1.36 N[C@@H](C(=O)O)c1ccccc1 Amb2747967 [0,0,1,0,1,0|1,0,1]=4 4100 B11R1.36 N[C@H](C(=O)O)c1ccccc1 Amb533283 [0,0,1,0,1,0|1,0,1]=4 4101 B11R1.36 O=C(O)C(=O)c1ccccc1 Amb2611302 [0,0,1,0,1,0|0,0,1]=3 4102 B11R1.36 O=C(O)C(=O)c1ccccc1 Amb33204525 [0,0,1,0,1,0|0,0,1]=3 4103 B11R1.36 O=C(O)C(=O)c1ccccn1 Amb18831273 [0,0,1,0,1,0|1,0,1]=4 4104 B11R1.36 O=C(O)C(=O)c1cccnc1 Amb15701278 [0,0,1,0,1,0|1,0,1]=4 4105 B11R1.36 O=C(O)C(=O)c1cccnc1 Amb22492371 [0,0,1,0,1,0|1,0,1]=4 4106 B11R1.36 O=C(O)C(Br)c1ccccc1 Amb2720724 [0,0,1,0,1,0|1,0,1]=4 4107 B11R1.36 O=C(O)C(Cl)c1ccccc1 Amb518006 [0,0,1,0,1,0|1,0,1]=4 4108 B11R1.36 O=C(O)C(F)c1ccccc1 Amb2688302 [0,0,1,0,1,0|1,0,1]=4 4109 B11R1.36 O=C(O)C(O)c1ccccc1 Amb4018578 [0,0,1,0,1,0|0,0,1]=3 4110 B11R1.36 O=C(O)C(O)c1ccccc1 Amb9703097 [0,0,1,0,1,0|0,0,1]=3 4111 B11R1.36 O=C(O)C(O)c1ccccn1 Amb18201201 [0,0,1,0,1,0|1,0,1]=4 4112 B11R1.36 O=C(O)C(O)c1cccnc1 Amb18952024 [0,0,1,0,1,0|1,0,1]=4 4113 B11R1.36 O=C(O)C(O)c1cccnc1 Amb19373382 [0,0,1,0,1,0|1,0,1]=4 4114 B11R1.36 O=C(O)C(O)c1ccncc1 Amb18201200 [0,0,1,0,1,0|1,0,1]=4 4115 B11R1.36 O=C(O)C(S)c1ccccc1 Amb6753823 [0,0,1,0,1,0|0,1,1]=4 4116 B11R1.36 O=C(O)[C@@H](Br)c1ccccc1 Amb25056175 [0,0,1,0,1,0|1,0,1]=4 4117 B11R1.36 O=C(O)[C@@H](Cl)c1ccccc1 Amb27413742 [0,0,1,0,1,0|1,0,1]=4 4118 B11R1.36 O=C(O)[C@@H](F)c1ccccc1 Amb27632458 [0,0,1,0,1,0|1,0,1]=4 4119 B11R1.36 O=C(O)[C@@H](O)c1ccccc1 Amb6354582 [0,0,1,0,1,0|0,0,1]=3 4120 B11R1.36 O=C(O)[C@H](Br)c1ccccc1 Amb27176517 [0,0,1,0,1,0|1,0,1]=4 4121 B11R1.36 O=C(O)[C@H](F)c1ccccc1 Amb27955206 [0,0,1,0,1,0|1,0,1]=4 4122 B11R1.36 O=C(O)[C@H](O)c1ccccc1 Amb3428495 [0,0,1,0,1,0|0,0,1]=3 4123 B11R1.36 O=C([O-])C(=O)c1ccccc1 Amb33204524 [0,0,1,0,1,0|0,0,2]=4 4124 B11R1.36 O=C(c1ccccc1)C(O)Cl Amb24528115 [0,0,1,0,1,0|1,0,1]=4 4125 B11R1.36 O=C(c1ccccc1)C(O)O Amb8392241 [0,0,1,0,1,0|1,0,1]=4 4126 B11R1.36 O=[PH](O)C(O)c1ccccc1 Amb21618921 [0,0,1,0,1,0|1,0,1]=4 4127 B11R1.36 [NH3+]C(C(=O)O)c1ccccc1 Amb22641589 [0,0,1,0,1,0|1,0,1]=4 4128 B11R1.222 C=CC(=O)c1ccccc1Br Amb26333627 [0,0,1,0,1,0|2,0,0]=4 4129 B11R1.222 C=CC(=O)c1ccccc1C Amb28144593 [0,0,1,0,1,0|1,0,1]=4 4130 B11R1.222 C=CC(=O)c1ccccc1Cl Amb25307612 [0,0,1,0,1,0|2,0,0]=4 4131 B11R1.222 C=CC(=O)c1ccccc1F Amb27883395 [0,0,1,0,1,0|2,0,0]=4 4132 B11R1.222 C=CC(=O)c1ccccc1N Amb26987473 [0,0,1,0,1,0|2,0,0]=4 4133 B11R1.222 C=CC(=O)c1ccccc1O Amb17593686 [0,0,1,0,1,0|1,0,1]=4 4134 B11R1.222 C=CC(O)c1ccccc1O Amb18644420 [0,0,1,0,1,0|1,0,1]=4 4135 B11R1.222 CC(C=O)c1ccccc1O Amb18125106 [0,0,1,0,1,0|1,0,1]=4 4136 B11R1.222 C\C=C(/C)c1ccccc1O Amb18124922 [0,0,1,0,1,0|2,0,0]=4 4137 B11R1.222 Cc1ccccc1C(=O)C=O Amb18124884 [0,0,1,0,1,0|0,0,2]=4 4138 B11R1.222 Cc1ccccc1C(=O)CO Amb18182730 [0,0,1,0,1,0|0,0,2]=4 4139 B11R1.222 Cc1ccccc1C(=O)NO Amb6278426 [0,0,1,0,1,0|1,0,1]=4 4140 B11R1.222 N\C(=C\O)c1ccccc1Cl Amb28043985 [0,0,1,0,1,0|2,0,0]=4 4141 B11R1.222 Nc1ccccc1C(=O)NO Amb3094175 [0,0,1,0,1,0|2,0,0]=4 4142 B11R1.222 O=C(CO)c1ccccc1Br Amb24639690 [0,0,1,0,1,0|1,0,1]=4 4143 B11R1.222 O=C(CO)c1ccccc1Cl Amb18185665 [0,0,1,0,1,0|1,0,1]=4 4144 B11R1.222 O=C(CO)c1ccccc1F Amb18182895 [0,0,1,0,1,0|1,0,1]=4 4145 B11R1.222 O=C(CO)c1ccccc1I Amb33623873 [0,0,1,0,1,0|1,0,1]=4 4146 B11R1.222 O=C(CO)c1ccccc1O Amb18125347 [0,0,1,0,1,0|1,0,1]=4 4147 B11R1.222 O=C(NO)c1ccccc1Br Amb6269839 [0,0,1,0,1,0|2,0,0]=4 4148 B11R1.222 O=C(NO)c1ccccc1Cl Amb6259829 [0,0,1,0,1,0|2,0,0]=4 4149 B11R1.222 O=C(NO)c1ccccc1F Amb6269743 [0,0,1,0,1,0|2,0,0]=4 4150 B11R1.222 O=C(NO)c1ccccc1O Amb2504335 [0,0,1,0,1,0|2,0,0]=4 4151 B11R1.222 O=CC(=O)c1ccccc1Br Amb18131520 [0,0,1,0,1,0|1,0,1]=4 4152 B11R1.222 O=CC(=O)c1ccccc1Cl Amb18126568 [0,0,1,0,1,0|1,0,1]=4 4153 B11R1.222 O=CC(=O)c1ccccc1F Amb10838623 [0,0,1,0,1,0|1,0,1]=4 4154 B11R1.222 O=CC(=O)c1ccccc1F Amb22011841 [0,0,1,0,1,0|1,0,1]=4 4155 B11R1.222 O=CC(=O)c1ccccc1O Amb25269559 [0,0,1,0,1,0|0,0,1]=3 4156 B11R1.222 O=CC(O)c1ccccc1Cl Amb27779531 [0,0,1,0,1,0|1,0,1]=4 4157 B11R1.222 O=CC(O)c1ccccc1O Amb27401134 [0,0,1,0,1,0|0,0,1]=3 4158 B11R1.222 O=C[C@H](O)c1ccccc1F Amb28365534 [0,0,1,0,1,0|1,0,1]=4 4159 B11R1.222 O\N=C(/O)c1ccccc1O Amb21811585 [0,0,1,0,1,0|1,0,1]=4 4160 B11R1.222 O\N=C(\O)c1ccccc1O Amb17777872 [0,0,1,0,1,0|1,0,1]=4 4161 B11R2.1 BrC1=CCc2ccccc21 Amb26318514 [1,0,0,0,1,0|1,0,1]=4 4162 B11R2.1 Brc1ccc2ccccn12 Amb18061677 [1,0,0,0,1,0|2,0,0]=4 4163 B11R2.1 Brc1coc2ccccc12 Amb6344810 [1,0,0,0,1,0|1,0,0]=3 4164 B11R2.1 Brc1coc2cccnc12 Amb18187782 [1,0,0,0,1,0|2,0,0]=4 4165 B11R2.1 Brc1coc2ccncc12 Amb18187801 [1,0,0,0,1,0|2,0,0]=4 4166 B11R2.1 Brc1coc2cnccc12 Amb26912398 [1,0,0,0,1,0|2,0,0]=4 4167 B11R2.1 Brc1coc2ncccc12 Amb18811362 [1,0,0,0,1,0|2,0,0]=4 4168 B11R2.1 Brc1csc2ccccc12 Amb2720075 [1,0,0,0,1,0|1,1,0]=4 4169 B11R2.1 Brc1noc2ccccc12 Amb18187786 [1,0,0,0,1,0|2,0,0]=4 4170 B11R2.1 CC1=CCc2ccccc21 Amb17778909 [1,0,0,0,1,0|1,0,1]=4 4171 B11R2.1 CC1C=Cc2ccccc21 Amb17844052 [1,0,0,0,1,0|1,0,1]=4 4172 B11R2.1 C[n+]1coc2ccccc21 Amb27961147 [1,0,0,0,1,0|2,0,0]=4 4173 B11R2.1 Cc1ccc2ccccn12 Amb28126713 [1,0,0,0,1,0|2,0,0]=4 4174 B11R2.1 Cc1coc2ccccc12 Amb2684177 [1,0,0,0,1,0|1,0,0]=3 4175 B11R2.1 Cc1csc2ccccc12 Amb2689330 [1,0,0,0,1,0|1,1,0]=4 4176 B11R2.1 Cc1noc2ccccc12 Amb445022 [1,0,0,0,1,0|2,0,0]=4 4177 B11R2.1 Clc1ccc2ccccn12 Amb27618437 [1,0,0,0,1,0|2,0,0]=4 4178 B11R2.1 Clc1coc2ccccc12 Amb21963868 [1,0,0,0,1,0|1,0,0]=3 4179 B11R2.1 Clc1csc2ccccc12 Amb5494165 [1,0,0,0,1,0|1,1,0]=4 4180 B11R2.1 Clc1noc2ccccc12 Amb2724801 [1,0,0,0,1,0|2,0,0]=4 4181 B11R2.1 Cln1ccc2ccccc21 Amb28050191 [1,0,0,0,1,0|2,0,0]=4 4182 B11R2.1 Cn1ccc2ccccc21 Amb6297777 [1,0,0,0,1,0|2,0,0]=4 4183 B11R2.1 Fc1csc2ccccc12 Amb27667159 [1,0,0,0,1,0|1,1,0]=4 4184 B11R2.1 Fc1noc2ccccc12 Amb35642438 [1,0,0,0,1,0|2,0,0]=4 4185 B11R2.1 Ic1coc2ccccc12 Amb24622374 [1,0,0,0,1,0|1,0,0]=3 4186 B11R2.1 Ic1csc2ccccc12 Amb22002561 [1,0,0,0,1,0|1,1,0]=4 4187 B11R2.1 NC1C=Cc2ccccc21 Amb17470367 [1,0,0,0,1,0|1,0,1]=4 4188 B11R2.1 Nc1ccc2ccccn12 Amb18061678 [1,0,0,0,1,0|2,0,0]=4 4189 B11R2.1 Nc1ccn2ccccc12 Amb28119363 [1,0,0,0,1,0|2,0,0]=4 4190 B11R2.1 Nc1coc2ccccc12 Amb24371464 [1,0,0,0,1,0|1,0,0]=3 4191 B11R2.1 Nc1coc2cccnc12 Amb24742644 [1,0,0,0,1,0|2,0,0]=4 4192 B11R2.1 Nc1coc2ccncc12 Amb27813427 [1,0,0,0,1,0|2,0,0]=4 4193 B11R2.1 Nc1coc2cnccc12 Amb27633514 [1,0,0,0,1,0|2,0,0]=4 4194 B11R2.1 Nc1coc2ncccc12 Amb18522246 [1,0,0,0,1,0|2,0,0]=4 4195 B11R2.1 Nc1csc2ccccc12 Amb13890519 [1,0,0,0,1,0|1,1,0]=4 4196 B11R2.1 Nc1csc2ccccc12 Amb19957699 [1,0,0,0,1,0|1,1,0]=4 4197 B11R2.1 Nc1noc2ccccc12 Amb1323334 [1,0,0,0,1,0|2,0,0]=4 4198 B11R2.1 Nn1ccc2ccccc21 Amb16233739 [1,0,0,0,1,0|2,0,0]=4 4199 B11R2.1 O=C1C=Cc2ccccc21 Amb10603436 [1,0,0,0,1,0|0,0,0]=2 4200 B11R2.1 O=C1CCc2ccccc21 Amb6458950 [1,0,0,0,1,0|0,0,2]=4 4201 B11R2.1 O=C1CNc2ccccc21 Amb17593399 [1,0,0,0,1,0|1,0,1]=4 4202 B11R2.1 O=C1COc2ccccc21 Amb33534383 [1,0,0,0,1,0|0,0,2]=4 4203 B11R2.1 O=C1CSc2ccccc21 Amb4062421 [1,0,0,0,1,0|1,0,1]=4 4204 B11R2.1 O=C1N=Cc2ccccc21 Amb25265062 [1,0,0,0,1,0|1,0,0]=3 4205 B11R2.1 O=C1N=Cc2ccncc21 Amb28252569 [1,0,0,0,1,0|2,0,0]=4 4206 B11R2.1 O=C1NC=C2C=CC=CN12 Amb26008108 [1,0,0,0,1,0|2,0,0]=4 4207 B11R2.1 O=C1NCc2ccccc21 Amb773532 [1,0,0,0,1,0|1,0,1]=4 4208 B11R2.1 O=C1NNc2ccccc21 Amb19514505 [1,0,0,0,1,0|2,0,0]=4 4209 B11R2.1 O=C1NSc2ccccc21 Amb17933279 [1,0,0,0,1,0|2,0,0]=4 4210 B11R2.1 O=C1OCc2ccccc21 Amb2610613 [1,0,0,0,1,0|1,0,1]=4 4211 B11R2.1 O=C1ONc2ccccc21 Amb26994489 [1,0,0,0,1,0|2,0,0]=4 4212 B11R2.1 O=C1SCc2ccccc21 Amb2421358 [1,0,0,0,1,0|1,0,1]=4 4213 B11R2.1 O=C1SNc2ccccc21 Amb19416440 [1,0,0,0,1,0|2,0,0]=4 4214 B11R2.1 O=s1ccc2ccccc21 Amb24078341 [1,0,0,0,1,0|1,0,0]=3 4215 B11R2.1 OC1C=Cc2ccccc21 Amb24479258 [1,0,0,0,1,0|0,0,2]=4 4216 B11R2.1 OC1COc2ccccc21 Amb33548779 [1,0,0,0,1,0|0,0,2]=4 4217 B11R2.1 O[C@@H]1COc2ccccc21 Amb27191568 [1,0,0,0,1,0|0,0,2]=4 4218 B11R2.1 O[C@H]1COc2ccccc21 Amb27946875 [1,0,0,0,1,0|0,0,2]=4 4219 B11R2.1 Oc1cnc2ccccn12 Amb24074110 [1,0,0,0,1,0|2,0,0]=4 4220 B11R2.1 Oc1cnn2ccccc12 Amb25359066 [1,0,0,0,1,0|2,0,0]=4 4221 B11R2.1 Oc1coc2ccccc12 Amb24097480 [1,0,0,0,1,0|0,0,0]=2 4222 B11R2.1 Oc1coc2cccnc12 Amb21963453 [1,0,0,0,1,0|1,0,0]=3 4223 B11R2.1 Oc1coc2cccnc12 Amb33996728 [1,0,0,0,1,0|1,0,0]=3 4224 B11R2.1 Oc1csc2ccccc12 Amb4009443 [1,0,0,0,1,0|0,1,0]=3 4225 B11R2.1 Oc1csc2cnccc12 Amb32669775 [1,0,0,0,1,0|1,1,0]=4 4226 B11R2.1 Oc1csc2ncccc12 Amb26464103 [1,0,0,0,1,0|1,1,0]=4 4227 B11R2.1 Oc1noc2ccccc12 Amb2725155 [1,0,0,0,1,0|1,0,0]=3 4228 B11R2.1 Oc1noc2ccncc12 Amb28458158 [1,0,0,0,1,0|2,0,0]=4 4229 B11R2.1 Oc1noc2cnccc12 Amb10975477 [1,0,0,0,1,0|2,0,0]=4 4230 B11R2.1 Oc1noc2ncccc12 Amb2611982 [1,0,0,0,1,0|2,0,0]=4 4231 B11R2.1 Oc1nsc2ccccc12 Amb22166851 [1,0,0,0,1,0|1,1,0]=4 4232 B11R2.1 On1ccc2ccccc21 Amb27243885 [1,0,0,0,1,0|1,0,1]=4 4233 B11R2.1 On1cnc2ccccc21 Amb28318444 [1,0,0,0,1,0|2,0,0]=4 4234 B11R2.1 Sc1coc2ccccc12 Amb24061893 [1,0,0,0,1,0|0,1,0]=3 4235 B11R2.1 Sc1csc2ccccc12 Amb24396652 [1,0,0,0,1,0|0,2,0]=4 4236 B11R2.10 BrC1=Cc2ccccc2C1 Amb8517387 [1,0,0,0,1,0|1,0,1]=4 4237 B11R2.10 Brc1cc2ccccc2o1 Amb2723106 [1,0,0,0,1,0|1,0,0]=3 4238 B11R2.10 Brc1cc2ccccc2s1 Amb2723178 [1,0,0,0,1,0|1,1,0]=4 4239 B11R2.10 Brc1cc2ccccn2c1 Amb27591844 [1,0,0,0,1,0|2,0,0]=4 4240 B11R2.10 Brc1cc2cnccc2o1 Amb18187766 [1,0,0,0,1,0|2,0,0]=4 4241 B11R2.10 Brc1cc2ncccc2o1 Amb25133797 [1,0,0,0,1,0|2,0,0]=4 4242 B11R2.10 Brc1cc2ncccc2o1 Amb32683420 [1,0,0,0,1,0|2,0,0]=4 4243 B11R2.10 Brc1nc2ccccc2o1 Amb19054929 [1,0,0,0,1,0|2,0,0]=4 4244 B11R2.10 CC1=Cc2ccccc2C1 Amb15692403 [1,0,0,0,1,0|1,0,1]=4 4245 B11R2.10 Cc1cc2ccccc2o1 Amb20621560 [1,0,0,0,1,0|1,0,0]=3 4246 B11R2.10 Cc1cc2ccccc2s1 Amb2237023 [1,0,0,0,1,0|1,1,0]=4 4247 B11R2.10 Cc1cc2ccccn2c1 Amb22264777 [1,0,0,0,1,0|2,0,0]=4 4248 B11R2.10 Cc1cc2cccnc2o1 Amb25299352 [1,0,0,0,1,0|2,0,0]=4 4249 B11R2.10 Cc1cc2cnccc2o1 Amb23590993 [1,0,0,0,1,0|2,0,0]=4 4250 B11R2.10 Cc1nc2ccccc2o1 Amb2599323 [1,0,0,0,1,0|2,0,0]=4 4251 B11R2.10 ClC1=Cc2ccccc2C1 Amb22752069 [1,0,0,0,1,0|1,0,1]=4 4252 B11R2.10 Clc1cc2ccccc2o1 Amb24104234 [1,0,0,0,1,0|1,0,0]=3 4253 B11R2.10 Clc1cc2ccccn2c1 Amb27209850 [1,0,0,0,1,0|2,0,0]=4 4254 B11R2.10 Clc1cc2ccncc2o1 Amb28126707 [1,0,0,0,1,0|2,0,0]=4 4255 B11R2.10 Clc1nc2ccccc2o1 Amb1106378 [1,0,0,0,1,0|2,0,0]=4 4256 B11R2.10 Cn1cc2ccccc2c1 Amb28313764 [1,0,0,0,1,0|2,0,0]=4 4257 B11R2.10 Ic1cc2ccccc2o1 Amb24482100 [1,0,0,0,1,0|1,0,0]=3 4258 B11R2.10 Ic1cc2ccccc2s1 Amb22896395 [1,0,0,0,1,0|1,1,0]=4 4259 B11R2.10 Nc1cc2ccccc2s1 Amb17593717 [1,0,0,0,1,0|1,1,0]=4 4260 B11R2.10 Nc1cc2cnccc2o1 Amb18203158 [1,0,0,0,1,0|2,0,0]=4 4261 B11R2.10 Nc1nc2ccccc2o1 Amb1153977 [1,0,0,0,1,0|2,0,0]=4 4262 B11R2.10 O=C1C=C2C=CC=CC2=N1 Amb24620213 [1,0,0,0,1,0|1,0,0]=3 4263 B11R2.10 O=C1C=C2C=CC=CN2C1 Amb28126717 [1,0,0,0,1,0|2,0,0]=4 4264 B11R2.10 O=C1C=C2C=CC=CN2N1 Amb21858515 [1,0,0,0,1,0|2,0,0]=4 4265 B11R2.10 O=C1C=C2C=COC=C2O1 Amb19132425 [1,0,0,0,1,0|1,0,0]=3 4266 B11R2.10 O=C1Cc2ccccc2C1 Amb1227714 [1,0,0,0,1,0|1,0,1]=4 4267 B11R2.10 O=C1Cc2ccccc2N1 Amb1351379 [1,0,0,0,1,0|1,0,1]=4 4268 B11R2.10 O=C1Cc2ccccc2O1 Amb2781615 [1,0,0,0,1,0|0,0,1]=3 4269 B11R2.10 O=C1Nc2ccccc2N1 Amb18375774 [1,0,0,0,1,0|2,0,0]=4 4270 B11R2.10 O=C1Nc2ccccc2O1 Amb18043097 [1,0,0,0,1,0|1,0,0]=3 4271 B11R2.10 O=C1Nc2ccccc2S1 Amb17933260 [1,0,0,0,1,0|1,1,0]=4 4272 B11R2.10 O=C1Nc2cccnc2O1 Amb18560583 [1,0,0,0,1,0|2,0,0]=4 4273 B11R2.10 O=C1Nc2ccncc2O1 Amb22233917 [1,0,0,0,1,0|2,0,0]=4 4274 B11R2.10 O=C1Nc2ncccc2O1 Amb17933371 [1,0,0,0,1,0|2,0,0]=4 4275 B11R2.10 O=C1O[n+]2ccccc2S1 Amb20662459 [1,0,0,0,1,0|2,0,0]=4 4276 B11R2.10 O=C1Oc2cccc[n+]2S1 Amb24472982 [1,0,0,0,1,0|2,0,0]=4 4277 B11R2.10 O=C1Oc2ccccc2O1 Amb19514273 [1,0,0,0,1,0|1,0,0]=3 4278 B11R2.10 OC1Cc2ccccc2O1 Amb27410400 [1,0,0,0,1,0|0,0,2]=4 4279 B11R2.10 Ob1oc2ccccc2o1 Amb24674117 [1,0,0,0,1,0|2,0,0]=4 4280 B11R2.10 Oc1cc2ccccc2s1 Amb24518934 [1,0,0,0,1,0|0,1,0]=3 4281 B11R2.10 Oc1cc2ccccn2c1 Amb27841533 [1,0,0,0,1,0|1,0,0]=3 4282 B11R2.10 Oc1cc2ncccc2o1 Amb28385482 [1,0,0,0,1,0|1,0,0]=3 4283 B11R2.10 Oc1cn2ccccc2n1 Amb19515773 [1,0,0,0,1,0|2,0,0]=4 4284 B11R2.10 Oc1nc2ncccc2o1 Amb17949727 [1,0,0,0,1,0|2,0,0]=4 4285 B11R2.10 S=C1Nc2ccccc2O1 Amb18799383 [1,0,0,0,1,0|1,1,0]=4 4286 B11R2.10 S=C1Oc2ccccc2O1 Amb22363540 [1,0,0,0,1,0|1,1,0]=4 4287 B11R2.10 S=C1Oc2ccccc2S1 Amb27839135 [1,0,0,0,1,0|1,1,0]=4 4288 B11R2.10 Sc1cc2ccccc2s1 Amb24105482 [1,0,0,0,1,0|0,2,0]=4 4289 B11R2.10 Sc1nc2ccccc2o1 Amb17570013 [1,0,0,0,1,0|1,1,0]=4 4290 B11R2.10 [SH3]c1nc2ccccc2o1 Amb18046725 [1,0,0,0,1,0|1,1,0]=4 4291 B11R2.36 O=C1C=Cc2ccsc2N1 Amb24417184 [1,0,0,0,1,0|2,0,0]=4 4292 B11R2.36 O=C1C=Cc2sccc2N1 Amb28206306 [1,0,0,0,1,0|2,0,0]=4 4293 B11R2.36 O=c1ccc2ccsc2o1 Amb5720014 [1,0,0,0,1,0|1,0,0]=3 4294 B11R2.36 O=c1ccc2sccc2o1 Amb5719894 [1,0,0,0,1,0|1,0,0]=3 4295 B11R2.36 Oc1ccc2c(c1)C=CC2 Amb18124353 [1,0,0,0,1,0|1,0,1]=4 4296 B11R2.36 Oc1ccc2ccoc2c1 Amb18124404 [1,0,0,0,1,0|2,0,0]=4 4297 B11R2.36 Oc1ccc2ccsc2c1 Amb18644429 [1,0,0,0,1,0|2,0,0]=4 4298 B11R2.36 Oc1ccc2occc2c1 Amb16185813 [1,0,0,0,1,0|2,0,0]=4 4299 B11R2.36 Oc1ccc2sccc2c1 Amb18644430 [1,0,0,0,1,0|2,0,0]=4 4300 B11R2.36 Oc1cnc2ccsc2c1 Amb19959222 [1,0,0,0,1,0|2,0,0]=4 4301 B11R2.36 Oc1cnc2sccc2c1 Amb18644463 [1,0,0,0,1,0|2,0,0]=4 4302 B11R2.54 CC1C(=O)c2ccccc21 Amb27602983 [0,0,0,0,2,0|1,0,1]=4 4303 B11R2.54 O=C1C(=O)c2ccccc21 Amb18048412 [0,0,0,0,2,0|0,0,1]=3 4304 B11R2.54 O=C1c2ccccc2C1Cl Amb21948336 [0,0,0,0,2,0|1,0,1]=4 4305 B11R2.54 O=C1c2ccccc2C1O Amb27164695 [0,0,0,0,2,0|0,0,1]=3 4306 B13R1.348 C=C(C)NC(=O)Nc1ccccc1 Amb28436709 [0,0,1,0,0,1|2,0,0]=4 4307 B13R1.348 CC(=O)CC(=O)Oc1ccccc1 Amb22586480 [0,0,1,0,0,1|0,0,2]=4 4308 B13R1.348 CC(=O)C\C(C)=C\c1ccccc1 Amb17778970 [0,0,1,0,0,1|2,0,0]=4 4309 B13R1.348 CC(=O)NC(=O)Oc1ccccc1 Amb28366948 [0,0,1,0,0,1|0,0,2]=4 4310 B13R1.348 CC(=O)N\C(Cl)=C/c1ccccc1 Amb27442451 [0,0,1,0,0,1|2,0,0]=4 4311 B13R1.348 CC(C)=CC(=O)Oc1ccccc1 Amb3119550 [0,0,1,0,0,1|1,0,1]=4 4312 B13R1.348 C\C(=C/C(=O)O)Cc1ccccc1 Amb17233183 [0,0,1,0,0,1|1,0,1]=4 4313 B13R1.348 C\C(=C/C(=O)O)Sc1ccccc1 Amb18130094 [0,0,1,0,0,1|2,0,0]=4 4314 B13R1.348 C\C(=C/c1ccccc1)CC(=O)O Amb17594482 [0,0,1,0,0,1|1,0,0]=3 4315 B13R1.348 C\C(=C/c1ccccc1)CC(N)=O Amb33513125 [0,0,1,0,0,1|2,0,0]=4 4316 B13R1.348 C\C(=C\c1ccccc1)NC(N)=O Amb26490847 [0,0,1,0,0,1|2,0,0]=4 4317 B13R1.348 N=C(N)NC(=O)Oc1ccccc1 Amb27180141 [0,0,1,0,0,1|2,0,0]=4 4318 B13R1.348 O=C(O)CC(=O)Nc1ccccc1 Amb2436726 [0,0,1,0,0,1|1,0,1]=4 4319 B13R1.348 O=C(O)CC(O)Cc1ccccc1 Amb17233662 [0,0,1,0,0,1|0,0,2]=4 4320 B13R1.348 O=C(O)C[C@@H](O)Cc1ccccc1 Amb32951764 [0,0,1,0,0,1|0,0,2]=4 4321 B13R1.348 O=C(O)C[C@H](O)Cc1ccccc1 Amb33082324 [0,0,1,0,0,1|0,0,2]=4 4322 B13R1.348 O=C([O-])CC(=O)Oc1ccccc1 Amb33513155 [0,0,1,0,0,1|1,0,1]=4 4323 B13R1.351 C=C(C)C(=O)OCc1ccccc1 Amb10807491 [0,0,1,0,0,1|1,0,0]=3 4324 B13R1.351 C=C(CCc1ccccc1)C(=O)O Amb18127719 [0,0,1,0,0,1|1,0,1]=4 4325 B13R1.351 C=C(Cl)C(=O)NCc1ccccc1 Amb27449585 [0,0,1,0,0,1|2,0,0]=4 4326 B13R1.351 C=C(\C=C\c1ccccc1)C(=O)O Amb33081816 [0,0,1,0,0,1|1,0,0]=3 4327 B13R1.351 C=C(\C=C\c1ccccc1)C(C)=O Amb27205181 [0,0,1,0,0,1|2,0,0]=4 4328 B13R1.351 CC(=O)C(=O)OCc1ccccc1 Amb24740169 [0,0,1,0,0,1|0,0,2]=4 4329 B13R1.351 CC(=O)C(O)\C=C\c1ccccc1 Amb27861376 [0,0,1,0,0,1|1,0,1]=4 4330 B13R1.351 CC(=O)\C(C)=C/Nc1ccccc1 Amb17778142 [0,0,1,0,0,1|2,0,0]=4 4331 B13R1.351 CC(=O)\C(Cl)=C\Nc1ccccc1 Amb28290344 [0,0,1,0,0,1|2,0,0]=4 4332 B13R1.351 CC(O)C(=O)OCc1ccccc1 Amb4021021 [0,0,1,0,0,1|0,0,2]=4 4333 B13R1.351 CC(\C=C\c1ccccc1)C(=O)O Amb18127714 [0,0,1,0,0,1|1,0,1]=4 4334 B13R1.351 CN(O)C(=O)OCc1ccccc1 Amb27216384 [0,0,1,0,0,1|1,0,1]=4 4335 B13R1.351 C[C@@H](O)C(=O)OCc1ccccc1 Amb22801052 [0,0,1,0,0,1|0,0,2]=4 4336 B13R1.351 C[C@@H](\C=C\c1ccccc1)C(=O)O Amb27592192 [0,0,1,0,0,1|1,0,1]=4 4337 B13R1.351 C[C@H](O)C(=O)OCc1ccccc1 Amb3939684 [0,0,1,0,0,1|0,0,2]=4 4338 B13R1.351 C[C@H](\C=C\c1ccccc1)C(=O)O Amb27179112 [0,0,1,0,0,1|1,0,1]=4 4339 B13R1.351 C\C(=N/Nc1ccccc1)C(=O)O Amb6487380 [0,0,1,0,0,1|2,0,0]=4 4340 B13R1.351 NC(=O)C(=O)OCc1ccccc1 Amb27608591 [0,0,1,0,0,1|1,0,1]=4 4341 B13R1.351 NC(=S)C(=O)OCc1ccccc1 Amb25836805 [0,0,1,0,0,1|1,1,0]=4 4342 B13R1.351 N[C@@H](\C=C\c1ccccc1)C(=O)O Amb2694855 [0,0,1,0,0,1|1,0,1]=4 4343 B13R1.351 N\C(=C\Cc1cccnc1)C(=O)O Amb28370348 [0,0,1,0,0,1|2,0,0]=4 4344 B13R1.351 O=C(Cl)C(=O)OCc1ccccc1 Amb24687217 [0,0,1,0,0,1|1,0,1]=4 4345 B13R1.351 O=C(O)C(=O)CCc1ccccc1 Amb8391159 [0,0,1,0,0,1|0,0,2]=4 4346 B13R1.351 O=C(O)C(=O)NCc1ccccc1 Amb838961 [0,0,1,0,0,1|0,0,2]=4 4347 B13R1.351 O=C(O)C(=O)NNc1ccccc1 Amb18128574 [0,0,1,0,0,1|1,0,1]=4 4348 B13R1.351 O=C(O)C(=O)OCc1ccccc1 Amb18128558 [0,0,1,0,0,1|1,0,0]=3 4349 B13R1.351 O=C(O)C(=O)\C=C/c1ccccc1 Amb27628477 [0,0,1,0,0,1|0,0,1]=3 4350 B13R1.351 O=C(O)C(=O)\C=C\c1ccccc1 Amb16192457 [0,0,1,0,0,1|0,0,1]=3 4351 B13R1.351 O=C(O)C(=O)\C=C\c1ccccc1 Amb4477338 [0,0,1,0,0,1|0,0,1]=3 4352 B13R1.351 O=C(O)C(=O)\C=C\c1ccccn1 Amb17470558 [0,0,1,0,0,1|1,0,1]=4 4353 B13R1.351 O=C(O)C(=O)\C=C\c1cccnc1 Amb17470559 [0,0,1,0,0,1|1,0,1]=4 4354 B13R1.351 O=C(O)C(=O)\C=C\c1ccncc1 Amb17470560 [0,0,1,0,0,1|1,0,1]=4 4355 B13R1.351 O=C(O)C(=S)NCc1ccccc1 Amb27645460 [0,0,1,0,0,1|0,1,1]=4 4356 B13R1.351 O=C(O)C(O)CCc1ccccc1 Amb2718777 [0,0,1,0,0,1|0,0,2]=4 4357 B13R1.351 O=C(O)C(O)CNc1ccccc1 Amb27179092 [0,0,1,0,0,1|0,0,2]=4 4358 B13R1.351 O=C(O)C(O)\C=C\c1ccccc1 Amb17594531 [0,0,1,0,0,1|0,0,1]=3 4359 B13R1.351 O=C(O)[C@@H](O)CCc1ccccc1 Amb10603260 [0,0,1,0,0,1|0,0,2]=4 4360 B13R1.351 O=C(O)[C@H](O)CCc1ccccc1 Amb8628145 [0,0,1,0,0,1|0,0,2]=4 4361 B13R1.351 O=C(O)[C@H](O)\C=C\c1ccccc1 Amb26621099 [0,0,1,0,0,1|0,0,1]=3 4362 B13R1.351 O=C(O)\C(Cl)=N\Nc1ccccc1 Amb27232838 [0,0,1,0,0,1|2,0,0]=4 4363 B13R1.351 O=C(OCc1ccccc1)C(O)O Amb27220546 [0,0,1,0,0,1|1,0,1]=4 4364 B13R1.528 C\C(C=O)=C\Nc1ccccc1N Amb27751221 [0,0,1,0,0,1|2,0,0]=4 4365 B13R1.528 Cc1ccccc1N\C=C(/O)C=O Amb28129816 [0,0,1,0,0,1|1,0,0]=3 4366 B13R1.528 Cc1ccccc1OCC(=O)CO Amb18065910 [0,0,1,0,0,1|0,0,2]=4 4367 B13R1.528 O=C(CO)COc1ccccc1Br Amb18072010 [0,0,1,0,0,1|1,0,1]=4 4368 B13R1.528 O=C(CO)COc1ccccc1Cl Amb18566284 [0,0,1,0,0,1|1,0,1]=4 4369 B13R1.528 O=C(CO)COc1ccccc1F Amb18564273 [0,0,1,0,0,1|1,0,1]=4 4370 B13R1.528 O=C(COc1ccccc1Cl)NO Amb22465743 [0,0,1,0,0,1|2,0,0]=4 4371 B13R1.528 O=C(COc1ccccc1F)NO Amb28189114 [0,0,1,0,0,1|2,0,0]=4 4372 B13R1.528 O=C(COc1ccccc1O)NO Amb1332070 [0,0,1,0,0,1|2,0,0]=4 4373 B13R1.528 O=C\C(O)=C/Nc1ccccc1O Amb27185973 [0,0,1,0,0,1|0,0,0]=2 4374 B13R1.528 O\C=C(O)/C=N/c1ccccc1Cl Amb27207733 [0,0,1,0,0,1|1,0,1]=4 4375 B13R1.528 O\C=C(O)/C=N/c1ccccc1O Amb27626923 [0,0,1,0,0,1|0,0,1]=3 4376 B13R2.33 CC1=NNc2ccccc2C=C1 Amb27421335 [1,0,0,0,0,1|2,0,0]=4 4377 B13R2.33 NC1=NNc2ccccc2C=C1 Amb27974235 [1,0,0,0,0,1|2,0,0]=4 4378 B13R2.33 O=C1C=Cc2ccccc2C=C1 Amb21952910 [1,0,0,0,0,1|1,0,0]=3 4379 B13R2.33 O=C1C=Cc2ccccc2CC1 Amb17593958 [1,0,0,0,0,1|1,0,0]=3 4380 B13R2.33 O=C1C=Cc2ccccc2CN1 Amb8630983 [1,0,0,0,0,1|1,0,0]=3 4381 B13R2.33 O=C1C=Cc2ccccc2OC1 Amb27175937 [1,0,0,0,0,1|0,0,0]=2 4382 B13R2.33 O=C1C=Cc2cccnc2C=C1 Amb27854920 [1,0,0,0,0,1|2,0,0]=4 4383 B13R2.33 O=C1C=Nc2ccccc2C=N1 Amb22489908 [1,0,0,0,0,1|1,0,1]=4 4384 B13R2.33 O=C1C=Nc2ccccc2CN1 Amb27643583 [1,0,0,0,0,1|2,0,0]=4 4385 B13R2.33 O=C1CCc2ccccc2OC1 Amb26925695 [1,0,0,0,0,1|0,0,2]=4 4386 B13R2.33 O=C1COc2ccccc2CN1 Amb2137257 [1,0,0,0,0,1|1,0,1]=4 4387 B13R2.33 O=C1COc2ccccc2SC1 Amb27616915 [1,0,0,0,0,1|1,0,1]=4 4388 B15R2.1157 O=C1CC(=O)Oc2ccccc2CN1 Amb28408972 [0,0,0,0,0,2|0,0,2]=4