0 B13R2.369 Brc1cc2ccccc2cc1Br Amb4027856 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.369 Brc1cc2ccccc2cc1I Amb13883628 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.369 Brc1cc2ccccc2nc1Br Amb2609656 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.369 Brc1cc2ccccc2nc1I Amb24483630 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.369 Brc1cc2ccncc2cc1Br Amb25674114 [0,0,0,0,0,0|3,0,0]=3 5 B13R2.369 Brc1nc2ccccc2cc1I Amb27665904 [0,0,0,0,0,0|3,0,1]=4 6 B13R2.369 C=C1C=C2C=CC=CC2=CC1=O Amb27175861 [0,0,0,0,0,0|3,0,0]=3 7 B13R2.369 C=C1Nc2ccccc2OC1=O Amb25996357 [0,0,0,0,0,0|3,0,1]=4 8 B13R2.369 CC1=Cc2ccccc2NC1=O Amb19115338 [0,0,0,0,0,0|2,0,0]=2 9 B13R2.369 CC1=Cc2ccccc2OC1=O Amb20247474 [0,0,0,0,0,0|3,0,0]=3 10 B13R2.369 CC1=Cc2cccnc2NC1=O Amb22497900 [0,0,0,0,0,0|3,0,0]=3 11 B13R2.369 CC1=Cc2cnccc2NC1=O Amb27876494 [0,0,0,0,0,0|1,0,0]=1 12 B13R2.369 CC1=Nc2ccccc2NC1=O Amb18368610 [0,0,0,0,0,0|3,0,0]=3 13 B13R2.369 CC1=Nc2ccccc2NC1=S Amb18043495 [0,0,0,0,0,0|3,1,0]=4 14 B13R2.369 CC1=Nc2ccccc2OC1=O Amb27482974 [0,0,0,0,0,0|4,0,0]=4 15 B13R2.369 CC1=Nc2cccnc2NC1=O Amb19373141 [0,0,0,0,0,0|4,0,0]=4 16 B13R2.369 CC1=Nc2ccncc2NC1=O Amb23597005 [0,0,0,0,0,0|2,0,2]=4 17 B13R2.369 CC1=Nc2cncnc2NC1=O Amb25129049 [0,0,0,0,0,0|3,0,0]=3 18 B13R2.369 CC1=Nc2ncccc2NC1=O Amb26342261 [0,0,0,0,0,0|4,0,0]=4 19 B13R2.369 CC1C=C2C=CC=CC2=NC1=O Amb22015245 [0,0,0,0,0,0|2,0,2]=4 20 B13R2.369 CC1Cc2ccccc2NC1=O Amb10604462 [0,0,0,0,0,0|2,0,2]=4 21 B13R2.369 CC1Nc2ccccc2NC1=O Amb2418151 [0,0,0,0,0,0|3,0,1]=4 22 B13R2.369 CC1Nc2ccncc2NC1=O Amb17095830 [0,0,0,0,0,0|2,0,2]=4 23 B13R2.369 CC1Nc2ccncc2NC1=O Amb30584912 [0,0,0,0,0,0|2,0,2]=4 24 B13R2.369 CC1Nc2cncnc2NC1=O Amb27645407 [0,0,0,0,0,0|3,0,1]=4 25 B13R2.369 CC1Nc2nnccc2NC1=O Amb18828946 [0,0,0,0,0,0|3,0,1]=4 26 B13R2.369 CC1Oc2ccccc2NC1=O Amb2568450 [0,0,0,0,0,0|3,0,1]=4 27 B13R2.369 CC1Sc2ccccc2NC1=O Amb2714505 [0,0,0,0,0,0|3,0,1]=4 28 B13R2.369 CC1Sc2cnccc2NC1=O Amb27947679 [0,0,0,0,0,0|2,0,1]=3 29 B13R2.369 CN1Cc2ccccc2NC1=O Amb6198737 [0,0,0,0,0,0|3,0,1]=4 30 B13R2.369 C[C@@H]1Nc2ccncc2NC1=O Amb18829380 [0,0,0,0,0,0|2,0,2]=4 31 B13R2.369 C[C@H]1Nc2ccccc2NC1=O Amb24653859 [0,0,0,0,0,0|3,0,1]=4 32 B13R2.369 Cc1cc2ccccc2cc1Br Amb22228668 [0,0,0,0,0,0|4,0,0]=4 33 B13R2.369 Cc1cc2ccccc2cc1C Amb4012683 [0,0,0,0,0,0|4,0,0]=4 34 B13R2.369 Cc1cc2ccccc2cc1Cl Amb24408885 [0,0,0,0,0,0|4,0,0]=4 35 B13R2.369 Cc1cc2ccccc2cc1F Amb24484265 [0,0,0,0,0,0|4,0,0]=4 36 B13R2.369 Cc1cc2ccccc2cc1I Amb26457588 [0,0,0,0,0,0|4,0,0]=4 37 B13R2.369 Cc1cc2ccccc2cc1N Amb22751118 [0,0,0,0,0,0|4,0,0]=4 38 B13R2.369 Cc1cc2ccccc2cc1O Amb22262990 [0,0,0,0,0,0|3,0,0]=3 39 B13R2.369 Cc1cc2ccccc2nc1Br Amb4057225 [0,0,0,0,0,0|3,0,1]=4 40 B13R2.369 Cc1cc2ccccc2nc1C Amb2411347 [0,0,0,0,0,0|3,0,1]=4 41 B13R2.369 Cc1cc2ccccc2nc1Cl Amb2447526 [0,0,0,0,0,0|3,0,1]=4 42 B13R2.369 Cc1cc2ccccc2nc1F Amb34164902 [0,0,0,0,0,0|3,0,1]=4 43 B13R2.369 Cc1cc2ccccc2nc1I Amb27840817 [0,0,0,0,0,0|3,0,1]=4 44 B13R2.369 Cc1cc2ccccc2nc1N Amb9134109 [0,0,0,0,0,0|3,0,1]=4 45 B13R2.369 Cc1cc2ccccc2nc1S Amb2786384 [0,0,0,0,0,0|2,1,1]=4 46 B13R2.369 Cc1cc2cccnc2cc1O Amb18645153 [0,0,0,0,0,0|4,0,0]=4 47 B13R2.369 Cc1cc2ccncc2cc1Br Amb27200092 [0,0,0,0,0,0|3,0,0]=3 48 B13R2.369 Cc1cc2ccncc2cc1O Amb27262920 [0,0,0,0,0,0|2,0,0]=2 49 B13R2.369 Cc1cc2ccncc2nc1Cl Amb9174243 [0,0,0,0,0,0|4,0,0]=4 50 B13R2.369 Cc1cc2cnccc2cc1F Amb24485443 [0,0,0,0,0,0|3,0,0]=3 51 B13R2.369 Cc1cc2cnccc2cc1O Amb21963927 [0,0,0,0,0,0|2,0,1]=3 52 B13R2.369 Cc1cc2ncccc2cc1O Amb18645152 [0,0,0,0,0,0|4,0,0]=4 53 B13R2.369 Cc1cc2ncccc2cc1O Amb35747831 [0,0,0,0,0,0|4,0,0]=4 54 B13R2.369 Cc1nc2ccccc2cc1Br Amb2720703 [0,0,0,0,0,0|3,0,1]=4 55 B13R2.369 Cc1nc2ccccc2cc1I Amb27628637 [0,0,0,0,0,0|3,0,1]=4 56 B13R2.369 Cc1nc2ccccc2cc1N Amb18062093 [0,0,0,0,0,0|3,0,1]=4 57 B13R2.369 Cc1nc2ccccc2cc1N Amb20239532 [0,0,0,0,0,0|3,0,1]=4 58 B13R2.369 Cc1nc2ccccc2cc1O Amb660984 [0,0,0,0,0,0|2,0,1]=3 59 B13R2.369 Cc1nc2ccccc2nc1O Amb631810 [0,0,0,0,0,0|3,0,1]=4 60 B13R2.369 Cc1nc2ccncc2cc1N Amb23441222 [0,0,0,0,0,0|2,0,1]=3 61 B13R2.369 Cc1nc2ccncc2cc1O Amb24692629 [0,0,0,0,0,0|1,0,1]=2 62 B13R2.369 Cc1nc2ncccc2cc1O Amb25359913 [0,0,0,0,0,0|3,0,1]=4 63 B13R2.369 Clc1cc2ccccc2cc1Br Amb26539587 [0,0,0,0,0,0|4,0,0]=4 64 B13R2.369 Clc1cc2ccccc2cc1Cl Amb22730503 [0,0,0,0,0,0|4,0,0]=4 65 B13R2.369 Clc1cc2ccccc2nc1Cl Amb19958556 [0,0,0,0,0,0|3,0,1]=4 66 B13R2.369 Clc1cc2ccccc2nc1I Amb27603446 [0,0,0,0,0,0|3,0,1]=4 67 B13R2.369 Clc1cc2ccncc2cc1Br Amb26373869 [0,0,0,0,0,0|3,0,0]=3 68 B13R2.369 Clc1cc2ccncc2cc1Cl Amb23589877 [0,0,0,0,0,0|3,0,0]=3 69 B13R2.369 Clc1cc2cnccc2cc1Br Amb26503757 [0,0,0,0,0,0|3,0,0]=3 70 B13R2.369 Clc1nc2ccccc2cc1Br Amb10606855 [0,0,0,0,0,0|3,0,1]=4 71 B13R2.369 Clc1nc2ccncc2nc1Cl Amb17506878 [0,0,0,0,0,0|3,0,1]=4 72 B13R2.369 Fc1cc2ccccc2cc1Br Amb25351655 [0,0,0,0,0,0|4,0,0]=4 73 B13R2.369 Fc1cc2ccccc2cc1Cl Amb24606517 [0,0,0,0,0,0|4,0,0]=4 74 B13R2.369 Fc1cc2ccccc2cc1F Amb25100177 [0,0,0,0,0,0|4,0,0]=4 75 B13R2.369 Fc1cc2ccccc2cc1I Amb28436689 [0,0,0,0,0,0|4,0,0]=4 76 B13R2.369 Fc1cc2ccccc2nc1Br Amb22547372 [0,0,0,0,0,0|3,0,1]=4 77 B13R2.369 Fc1cc2ccccc2nc1Cl Amb26328980 [0,0,0,0,0,0|3,0,1]=4 78 B13R2.369 Fc1cc2ccccc2nc1I Amb25797787 [0,0,0,0,0,0|3,0,1]=4 79 B13R2.369 Fc1cc2ccncc2cc1Br Amb22235927 [0,0,0,0,0,0|3,0,0]=3 80 B13R2.369 Fc1cc2ccncc2cc1Cl Amb22410838 [0,0,0,0,0,0|3,0,0]=3 81 B13R2.369 Fc1cc2ccncc2cc1F Amb27774885 [0,0,0,0,0,0|3,0,0]=3 82 B13R2.369 Fc1cc2cnccc2cc1Br Amb23439691 [0,0,0,0,0,0|3,0,0]=3 83 B13R2.369 Fc1nc2ccccc2cc1Br Amb25897111 [0,0,0,0,0,0|3,0,1]=4 84 B13R2.369 Ic1cc2ccccc2cc1I Amb21954221 [0,0,0,0,0,0|4,0,0]=4 85 B13R2.369 N=C1Nc2ccccc2NC1=O Amb19804517 [0,0,0,0,0,0|3,0,0]=3 86 B13R2.369 N=C1Nc2ccccc2OC1=O Amb20053203 [0,0,0,0,0,0|3,0,1]=4 87 B13R2.369 NC1=Cc2ccccc2NC1=S Amb24373878 [0,0,0,0,0,0|2,1,0]=3 88 B13R2.369 NC1=Cc2ccccc2OC1=O Amb18511494 [0,0,0,0,0,0|3,0,0]=3 89 B13R2.369 NC1=Cc2cnccc2NC1=O Amb32418303 [0,0,0,0,0,0|1,0,0]=1 90 B13R2.369 NC1=Nc2cccnc2NC1=O Amb25106877 [0,0,0,0,0,0|4,0,0]=4 91 B13R2.369 NC1=Nc2cnccc2NC1=O Amb26371895 [0,0,0,0,0,0|2,0,0]=2 92 B13R2.369 NC1=Nc2cncnc2NC1=O Amb18645780 [0,0,0,0,0,0|3,0,0]=3 93 B13R2.369 NC1Cc2ccccc2NC1=O Amb10975380 [0,0,0,0,0,0|2,0,2]=4 94 B13R2.369 NC1Cc2ccccc2NC1=O Amb2196732 [0,0,0,0,0,0|2,0,2]=4 95 B13R2.369 NC1Cc2ccccc2NC1=O Amb6353803 [0,0,0,0,0,0|2,0,2]=4 96 B13R2.369 NC1Cc2cnccc2NC1=O Amb20241350 [0,0,0,0,0,0|1,0,2]=3 97 B13R2.369 NC1Cc2cnccc2NC1=O Amb30046355 [0,0,0,0,0,0|1,0,2]=3 98 B13R2.369 NN1Cc2ccccc2NC1=O Amb28076843 [0,0,0,0,0,0|3,0,1]=4 99 B13R2.369 Nc1cc2ccccc2cc1Br Amb2610350 [0,0,0,0,0,0|4,0,0]=4 100 B13R2.369 Nc1cc2ccccc2cc1Cl Amb18648080 [0,0,0,0,0,0|4,0,0]=4 101 B13R2.369 Nc1cc2ccccc2cc1F Amb26978863 [0,0,0,0,0,0|4,0,0]=4 102 B13R2.369 Nc1cc2ccccc2cc1I Amb21955955 [0,0,0,0,0,0|4,0,0]=4 103 B13R2.369 Nc1cc2ccccc2cc1N Amb2710387 [0,0,0,0,0,0|4,0,0]=4 104 B13R2.369 Nc1cc2ccccc2cc1O Amb2781576 [0,0,0,0,0,0|3,0,0]=3 105 B13R2.369 Nc1cc2ccccc2nc1Br Amb22499505 [0,0,0,0,0,0|3,0,1]=4 106 B13R2.369 Nc1cc2ccccc2nc1Cl Amb22263229 [0,0,0,0,0,0|3,0,1]=4 107 B13R2.369 Nc1cc2ccccc2nc1O Amb18645300 [0,0,0,0,0,0|2,0,2]=4 108 B13R2.369 Nc1cc2cccnc2cc1O Amb26586376 [0,0,0,0,0,0|4,0,0]=4 109 B13R2.369 Nc1cc2ccncc2cc1Cl Amb18824789 [0,0,0,0,0,0|3,0,0]=3 110 B13R2.369 Nc1cc2ccncc2cc1F Amb18829767 [0,0,0,0,0,0|3,0,0]=3 111 B13R2.369 Nc1cc2ccncc2cc1O Amb18830217 [0,0,0,0,0,0|2,0,0]=2 112 B13R2.369 Nc1cc2ncccc2cc1O Amb25966047 [0,0,0,0,0,0|4,0,0]=4 113 B13R2.369 Nc1nc2ccccc2cc1Br Amb21962044 [0,0,0,0,0,0|3,0,1]=4 114 B13R2.369 Nc1nc2ccccc2cc1F Amb25800913 [0,0,0,0,0,0|3,0,1]=4 115 B13R2.369 Nc1nc2ccccc2cc1O Amb27471786 [0,0,0,0,0,0|2,0,1]=3 116 B13R2.369 O=C1C=C2CCNC=C2C=C1O Amb33513030 [0,0,0,0,0,0|1,0,3]=4 117 B13R2.369 O=C1Cc2ccccc2CN1O Amb27607094 [0,0,0,0,0,0|3,0,1]=4 118 B13R2.369 O=C1Cc2ccccc2OC1=O Amb22755081 [0,0,0,0,0,0|2,0,2]=4 119 B13R2.369 O=C1N=C2C=CC=CC2=CC1Cl Amb22015161 [0,0,0,0,0,0|2,0,2]=4 120 B13R2.369 O=C1Nc2ccccc2C=C1Br Amb20247010 [0,0,0,0,0,0|2,0,0]=2 121 B13R2.369 O=C1Nc2ccccc2C=C1Cl Amb21857147 [0,0,0,0,0,0|2,0,0]=2 122 B13R2.369 O=C1Nc2ccccc2C=C1F Amb22547229 [0,0,0,0,0,0|2,0,0]=2 123 B13R2.369 O=C1Nc2ccccc2C=C1O Amb20619410 [0,0,0,0,0,0|1,0,0]=1 124 B13R2.369 O=C1Nc2ccccc2CC1Br Amb10601380 [0,0,0,0,0,0|2,0,2]=4 125 B13R2.369 O=C1Nc2ccccc2CC1O Amb22899290 [0,0,0,0,0,0|1,0,2]=3 126 B13R2.369 O=C1Nc2ccccc2NC1=O Amb18545062 [0,0,0,0,0,0|2,0,1]=3 127 B13R2.369 O=C1Nc2ccccc2NC1=S Amb19654259 [0,0,0,0,0,0|2,1,0]=3 128 B13R2.369 O=C1Nc2ccccc2OC1=O Amb19650977 [0,0,0,0,0,0|2,0,1]=3 129 B13R2.369 O=C1Nc2ccccc2OC1Br Amb33328763 [0,0,0,0,0,0|3,0,1]=4 130 B13R2.369 O=C1Nc2ccccc2OC1O Amb9824611 [0,0,0,0,0,0|2,0,1]=3 131 B13R2.369 O=C1Nc2ccccc2SC1=O Amb27949655 [0,0,0,0,0,0|2,0,1]=3 132 B13R2.369 O=C1Nc2ccccc2SC1O Amb28243913 [0,0,0,0,0,0|2,0,1]=3 133 B13R2.369 O=C1Nc2cccnc2C=C1Br Amb20671324 [0,0,0,0,0,0|3,0,0]=3 134 B13R2.369 O=C1Nc2cccnc2NC1=O Amb19813203 [0,0,0,0,0,0|3,0,1]=4 135 B13R2.369 O=C1Nc2ccncc2C=C1Br Amb26647449 [0,0,0,0,0,0|1,0,0]=1 136 B13R2.369 O=C1Nc2ccncc2C=C1Cl Amb27587506 [0,0,0,0,0,0|1,0,0]=1 137 B13R2.369 O=C1Nc2ccncc2C=C1O Amb25034645 [0,0,0,0,0,0|0,0,0]=0 138 B13R2.369 O=C1Nc2ccncc2NC1=O Amb18043122 [0,0,0,0,0,0|1,0,1]=2 139 B13R2.369 O=C1Nc2cncnc2NC1=O Amb24309295 [0,0,0,0,0,0|2,0,1]=3 140 B13R2.369 O=C1Nc2ncccc2OC1O Amb25352472 [0,0,0,0,0,0|3,0,1]=4 141 B13R2.369 O=C1Oc2ccccc2C=C1Br Amb19655979 [0,0,0,0,0,0|3,0,0]=3 142 B13R2.369 O=C1Oc2ccccc2C=C1F Amb22547186 [0,0,0,0,0,0|3,0,0]=3 143 B13R2.369 O=C1Oc2ccccc2C=C1O Amb18511465 [0,0,0,0,0,0|2,0,0]=2 144 B13R2.369 O=C1Oc2ccccc2C=C1S Amb27173626 [0,0,0,0,0,0|2,1,0]=3 145 B13R2.369 O=C1Oc2ccccc2N=C1Cl Amb21858712 [0,0,0,0,0,0|4,0,0]=4 146 B13R2.369 O=C1Oc2ccccc2N=C1O Amb22494623 [0,0,0,0,0,0|3,0,0]=3 147 B13R2.369 O=C1Oc2ccccc2NC1=S Amb27947432 [0,0,0,0,0,0|2,1,1]=4 148 B13R2.369 O=C1Oc2ccccc2NC1O Amb27767886 [0,0,0,0,0,0|3,0,1]=4 149 B13R2.369 O=C1Sc2ccccc2C=C1Br Amb19886583 [0,0,0,0,0,0|3,0,0]=3 150 B13R2.369 O=C1Sc2ccccc2C=C1Cl Amb22347336 [0,0,0,0,0,0|3,0,0]=3 151 B13R2.369 O=C1Sc2ccccc2C=C1F Amb22641706 [0,0,0,0,0,0|3,0,0]=3 152 B13R2.369 Oc1cc2c(cc1O)CCN=C2 Amb2718734 [0,0,0,0,0,0|1,0,3]=4 153 B13R2.369 Oc1cc2ccccc2cc1Br Amb17596080 [0,0,0,0,0,0|3,0,0]=3 154 B13R2.369 Oc1cc2ccccc2cc1Cl Amb4010282 [0,0,0,0,0,0|3,0,0]=3 155 B13R2.369 Oc1cc2ccccc2cc1F Amb26494442 [0,0,0,0,0,0|3,0,0]=3 156 B13R2.369 Oc1cc2ccccc2cc1I Amb25148790 [0,0,0,0,0,0|3,0,0]=3 157 B13R2.369 Oc1cc2ccccc2cc1O Amb6296607 [0,0,0,0,0,0|2,0,1]=3 158 B13R2.369 Oc1cc2ccccc2nc1Br Amb18134374 [0,0,0,0,0,0|2,0,1]=3 159 B13R2.369 Oc1cc2ccccc2nc1Cl Amb21963885 [0,0,0,0,0,0|2,0,1]=3 160 B13R2.369 Oc1cc2ccccc2nc1F Amb27244594 [0,0,0,0,0,0|2,0,1]=3 161 B13R2.369 Oc1cc2ccccc2nc1I Amb28187128 [0,0,0,0,0,0|2,0,1]=3 162 B13R2.369 Oc1cc2cccnc2cc1Br Amb18658931 [0,0,0,0,0,0|4,0,0]=4 163 B13R2.369 Oc1cc2cccnc2cc1Br Amb33734275 [0,0,0,0,0,0|4,0,0]=4 164 B13R2.369 Oc1cc2cccnc2cc1Cl Amb23403182 [0,0,0,0,0,0|4,0,0]=4 165 B13R2.369 Oc1cc2cccnc2cc1F Amb23437334 [0,0,0,0,0,0|4,0,0]=4 166 B13R2.369 Oc1cc2cccnc2cc1I Amb23437335 [0,0,0,0,0,0|4,0,0]=4 167 B13R2.369 Oc1cc2cccnc2cc1O Amb17594015 [0,0,0,0,0,0|3,0,1]=4 168 B13R2.369 Oc1cc2cccnc2nc1Br Amb21811364 [0,0,0,0,0,0|3,0,1]=4 169 B13R2.369 Oc1cc2ccncc2cc1Br Amb28244392 [0,0,0,0,0,0|2,0,1]=3 170 B13R2.369 Oc1cc2cnccc2cc1Br Amb24453966 [0,0,0,0,0,0|2,0,0]=2 171 B13R2.369 Oc1cc2ncccc2cc1Br Amb27154500 [0,0,0,0,0,0|4,0,0]=4 172 B13R2.369 Oc1cc2ncccc2cc1Cl Amb27175729 [0,0,0,0,0,0|4,0,0]=4 173 B13R2.369 Oc1cc2ncccc2cc1I Amb25771696 [0,0,0,0,0,0|4,0,0]=4 174 B13R2.369 Oc1nc2ccccc2cc1Br Amb10608236 [0,0,0,0,0,0|2,0,2]=4 175 B13R2.369 Oc1nc2ccccc2nc1Cl Amb22497412 [0,0,0,0,0,0|3,0,1]=4 176 B13R2.369 Oc1nc2ccccc2nc1O Amb6334823 [0,0,0,0,0,0|2,0,2]=4 177 B13R2.369 Oc1nc2ccccc2nc1S Amb4138352 [0,0,0,0,0,0|2,1,1]=4 178 B13R2.369 S=C1Nc2ccccc2C=C1Br Amb27631744 [0,0,0,0,0,0|2,1,0]=3 179 B13R2.369 S=C1Nc2ccccc2N=C1Cl Amb27230317 [0,0,0,0,0,0|3,1,0]=4 180 B13R2.369 S=C1Nc2ccccc2NC1=S Amb22527759 [0,0,0,0,0,0|2,2,0]=4 181 B13R2.369 Sc1cc2ccccc2nc1Cl Amb26056479 [0,0,0,0,0,0|2,1,1]=4 182 B12R2.24 Brc1cc2ccncc2cn1 Amb35745026 [1,0,0,0,0,0|3,0,0]=4 183 B12R2.24 Brc1ccc2ccccc2c1 Amb1159157 [1,0,0,0,0,0|3,0,0]=4 184 B12R2.24 Brc1ccc2ccccc2n1 Amb8397285 [1,0,0,0,0,0|2,0,1]=4 185 B12R2.24 Brc1ccc2ccncc2c1 Amb22276934 [1,0,0,0,0,0|2,0,0]=3 186 B12R2.24 Brc1ccc2ccncc2c1 Amb7101503 [1,0,0,0,0,0|2,0,0]=3 187 B12R2.24 Brc1ccc2ccncc2n1 Amb21962043 [1,0,0,0,0,0|3,0,0]=4 188 B12R2.24 Brc1ccc2ccnnc2c1 Amb22276042 [1,0,0,0,0,0|3,0,0]=4 189 B12R2.24 Brc1ccc2cnccc2c1 Amb33140904 [1,0,0,0,0,0|2,0,0]=3 190 B12R2.24 Brc1ccc2cnccc2c1 Amb7101488 [1,0,0,0,0,0|2,0,0]=3 191 B12R2.24 Brc1ccc2cnccc2n1 Amb10070412 [1,0,0,0,0,0|1,0,1]=3 192 B12R2.24 Brc1ccc2cncnc2c1 Amb10975967 [1,0,0,0,0,0|3,0,0]=4 193 B12R2.24 Brc1ccc2cnncc2c1 Amb10975972 [1,0,0,0,0,0|3,0,0]=4 194 B12R2.24 Brc1ccc2ncncc2c1 Amb10975973 [1,0,0,0,0,0|3,0,0]=4 195 B12R2.24 Brc1ccc2nnccc2c1 Amb20241324 [1,0,0,0,0,0|3,0,0]=4 196 B12R2.24 Brc1cnc2ccccc2c1 Amb2722485 [1,0,0,0,0,0|2,0,1]=4 197 B12R2.24 Brc1cnc2ccncc2c1 Amb18176152 [1,0,0,0,0,0|1,0,1]=3 198 B12R2.24 Brc1cnc2cnccc2c1 Amb22500442 [1,0,0,0,0,0|3,0,0]=4 199 B12R2.24 Brc1cnc2cnncc2c1 Amb27849124 [1,0,0,0,0,0|2,0,1]=4 200 B12R2.24 CC1=Cc2ccccc2NC1 Amb18559652 [1,0,0,0,0,0|2,0,1]=4 201 B12R2.24 CC1=NNc2ccncc2N1 Amb27635347 [1,0,0,0,0,0|3,0,0]=4 202 B12R2.24 CC1C=Cc2ccccc2N1 Amb17593644 [1,0,0,0,0,0|2,0,1]=4 203 B12R2.24 Cc1cc2ccncc2cn1 Amb28250070 [1,0,0,0,0,0|3,0,0]=4 204 B12R2.24 Cc1ccc2ccccc2c1 Amb6608830 [1,0,0,0,0,0|3,0,0]=4 205 B12R2.24 Cc1ccc2ccccc2n1 Amb1151967 [1,0,0,0,0,0|2,0,1]=4 206 B12R2.24 Cc1ccc2ccccc2n1 Amb33249592 [1,0,0,0,0,0|2,0,1]=4 207 B12R2.24 Cc1ccc2ccncc2c1 Amb33544176 [1,0,0,0,0,0|2,0,0]=3 208 B12R2.24 Cc1ccc2ccncc2n1 Amb25305156 [1,0,0,0,0,0|3,0,0]=4 209 B12R2.24 Cc1ccc2cnccc2c1 Amb10071945 [1,0,0,0,0,0|2,0,0]=3 210 B12R2.24 Cc1ccc2cnccc2n1 Amb23441223 [1,0,0,0,0,0|1,0,1]=3 211 B12R2.24 Cc1cnc2ccccc2c1 Amb2447051 [1,0,0,0,0,0|2,0,1]=4 212 B12R2.24 Clc1cc2cnccc2cn1 Amb25680123 [1,0,0,0,0,0|3,0,0]=4 213 B12R2.24 Clc1ccc2ccccc2c1 Amb6365655 [1,0,0,0,0,0|3,0,0]=4 214 B12R2.24 Clc1ccc2ccccc2n1 Amb2611299 [1,0,0,0,0,0|2,0,1]=4 215 B12R2.24 Clc1ccc2ccncc2c1 Amb32663641 [1,0,0,0,0,0|2,0,0]=3 216 B12R2.24 Clc1ccc2ccncc2c1 Amb4007488 [1,0,0,0,0,0|2,0,0]=3 217 B12R2.24 Clc1ccc2ccncc2n1 Amb4560931 [1,0,0,0,0,0|3,0,0]=4 218 B12R2.24 Clc1ccc2ccnnc2c1 Amb22752658 [1,0,0,0,0,0|3,0,0]=4 219 B12R2.24 Clc1ccc2cnccc2c1 Amb10603859 [1,0,0,0,0,0|2,0,0]=3 220 B12R2.24 Clc1ccc2cnccc2n1 Amb10602045 [1,0,0,0,0,0|1,0,1]=3 221 B12R2.24 Clc1ccc2cncnc2c1 Amb4011495 [1,0,0,0,0,0|3,0,0]=4 222 B12R2.24 Clc1ccc2cncnc2n1 Amb24636910 [1,0,0,0,0,0|2,0,1]=4 223 B12R2.24 Clc1ccc2cnncc2c1 Amb25825362 [1,0,0,0,0,0|3,0,0]=4 224 B12R2.24 Clc1ccc2ncncc2c1 Amb17943286 [1,0,0,0,0,0|3,0,0]=4 225 B12R2.24 Clc1cnc2ccccc2c1 Amb19515997 [1,0,0,0,0,0|2,0,1]=4 226 B12R2.24 Clc1cnc2ccncc2c1 Amb2609880 [1,0,0,0,0,0|1,0,1]=3 227 B12R2.24 Clc1cnc2ccncc2n1 Amb23538929 [1,0,0,0,0,0|2,0,1]=4 228 B12R2.24 Clc1cnc2cnccc2n1 Amb23538900 [1,0,0,0,0,0|2,0,1]=4 229 B12R2.24 Clc1cnc2ncncc2c1 Amb27441896 [1,0,0,0,0,0|2,0,1]=4 230 B12R2.24 Clc1ncc2cnccc2n1 Amb5754389 [1,0,0,0,0,0|2,0,1]=4 231 B12R2.24 Fc1ccc2ccccc2c1 Amb5544291 [1,0,0,0,0,0|3,0,0]=4 232 B12R2.24 Fc1ccc2ccccc2n1 Amb20171185 [1,0,0,0,0,0|2,0,1]=4 233 B12R2.24 Fc1ccc2ccncc2c1 Amb19100617 [1,0,0,0,0,0|2,0,0]=3 234 B12R2.24 Fc1ccc2cnccc2c1 Amb19958275 [1,0,0,0,0,0|2,0,0]=3 235 B12R2.24 Fc1ccc2cnccc2n1 Amb27798977 [1,0,0,0,0,0|1,0,1]=3 236 B12R2.24 Fc1ccc2cncnc2c1 Amb4007611 [1,0,0,0,0,0|3,0,0]=4 237 B12R2.24 Fc1ccc2cnncc2c1 Amb25875643 [1,0,0,0,0,0|3,0,0]=4 238 B12R2.24 Fc1cnc2ccccc2c1 Amb22234447 [1,0,0,0,0,0|2,0,1]=4 239 B12R2.24 Ic1ccc2ccccc2c1 Amb4013025 [1,0,0,0,0,0|3,0,0]=4 240 B12R2.24 Ic1ccc2ccccc2n1 Amb10604284 [1,0,0,0,0,0|2,0,1]=4 241 B12R2.24 Ic1ccc2ccncc2c1 Amb22170101 [1,0,0,0,0,0|2,0,0]=3 242 B12R2.24 Ic1ccc2cnccc2c1 Amb10070847 [1,0,0,0,0,0|2,0,0]=3 243 B12R2.24 Ic1ccc2cncnc2c1 Amb23402211 [1,0,0,0,0,0|3,0,0]=4 244 B12R2.24 Ic1ccc2ncncc2c1 Amb19957516 [1,0,0,0,0,0|3,0,0]=4 245 B12R2.24 Ic1ccc2nnccc2c1 Amb22751176 [1,0,0,0,0,0|3,0,0]=4 246 B12R2.24 Ic1cnc2ccccc2c1 Amb19373724 [1,0,0,0,0,0|2,0,1]=4 247 B12R2.24 NC1=Cc2ccccc2NC1 Amb25079184 [1,0,0,0,0,0|2,0,1]=4 248 B12R2.24 Nc1ccc2ccccc2c1 Amb22057457 [1,0,0,0,0,0|3,0,0]=4 249 B12R2.24 Nc1ccc2ccccc2c1 Amb3940108 [1,0,0,0,0,0|3,0,0]=4 250 B12R2.24 Nc1ccc2ccccc2n1 Amb1152993 [1,0,0,0,0,0|2,0,1]=4 251 B12R2.24 Nc1ccc2ccncc2c1 Amb33456346 [1,0,0,0,0,0|2,0,0]=3 252 B12R2.24 Nc1ccc2ccncc2c1 Amb8011457 [1,0,0,0,0,0|2,0,0]=3 253 B12R2.24 Nc1ccc2ccncc2n1 Amb18124738 [1,0,0,0,0,0|3,0,0]=4 254 B12R2.24 Nc1ccc2cnccc2c1 Amb33527576 [1,0,0,0,0,0|2,0,0]=3 255 B12R2.24 Nc1ccc2cnccc2c1 Amb8010910 [1,0,0,0,0,0|2,0,0]=3 256 B12R2.24 Nc1ccc2cnccc2n1 Amb2796045 [1,0,0,0,0,0|1,0,1]=3 257 B12R2.24 Nc1ccc2cnccc2n1 Amb33329948 [1,0,0,0,0,0|1,0,1]=3 258 B12R2.24 Nc1ccc2cncnc2c1 Amb22001709 [1,0,0,0,0,0|3,0,0]=4 259 B12R2.24 Nc1ccc2cncnc2n1 Amb16233779 [1,0,0,0,0,0|2,0,1]=4 260 B12R2.24 Nc1ccc2cnncc2c1 Amb8009347 [1,0,0,0,0,0|3,0,0]=4 261 B12R2.24 Nc1ccc2ncncc2c1 Amb17935799 [1,0,0,0,0,0|3,0,0]=4 262 B12R2.24 Nc1cnc2ccccc2c1 Amb534917 [1,0,0,0,0,0|2,0,1]=4 263 B12R2.24 Nc1cnc2ccncc2c1 Amb18831471 [1,0,0,0,0,0|1,0,1]=3 264 B12R2.24 Nc1cnc2cnccc2c1 Amb24060730 [1,0,0,0,0,0|3,0,0]=4 265 B12R2.24 O=C1C=C2C=CC=CC2=CN1 Amb19958596 [1,0,0,0,0,0|3,0,0]=4 266 B12R2.24 O=C1C=Cc2ccccc2N1 Amb18546039 [1,0,0,0,0,0|1,0,0]=2 267 B12R2.24 O=C1C=Cc2ccccc2O1 Amb18511466 [1,0,0,0,0,0|2,0,0]=3 268 B12R2.24 O=C1C=Cc2ccccc2[N-]1 Amb21940629 [1,0,0,0,0,0|1,0,1]=3 269 B12R2.24 O=C1C=Cc2ccccc2[N-]1 Amb28991227 [1,0,0,0,0,0|1,0,1]=3 270 B12R2.24 O=C1C=Cc2cccnc2N1 Amb22001403 [1,0,0,0,0,0|2,0,0]=3 271 B12R2.24 O=C1C=Cc2ccncc2N1 Amb22493786 [1,0,0,0,0,0|2,0,0]=3 272 B12R2.24 O=C1C=Cc2ccncc2O1 Amb24395883 [1,0,0,0,0,0|2,0,1]=4 273 B12R2.24 O=C1C=Cc2cnccc2N1 Amb21618693 [1,0,0,0,0,0|0,0,0]=1 274 B12R2.24 O=C1C=Cc2ncccc2N1 Amb21856966 [1,0,0,0,0,0|2,0,0]=3 275 B12R2.24 O=C1C=Cc2nccnc2N1 Amb19957771 [1,0,0,0,0,0|3,0,0]=4 276 B12R2.24 O=C1C=Cc2ncncc2N1 Amb21811941 [1,0,0,0,0,0|3,0,0]=4 277 B12R2.24 O=C1C=Nc2ccccc2N1 Amb18372452 [1,0,0,0,0,0|2,0,0]=3 278 B12R2.24 O=C1C=Nc2cccnc2N1 Amb20461570 [1,0,0,0,0,0|3,0,0]=4 279 B12R2.24 O=C1C=Nc2ccncc2N1 Amb18016830 [1,0,0,0,0,0|1,0,2]=4 280 B12R2.24 O=C1C=Nc2cncnc2N1 Amb25314156 [1,0,0,0,0,0|2,0,0]=3 281 B12R2.24 O=C1CCc2ccccc2N1 Amb6358187 [1,0,0,0,0,0|1,0,2]=4 282 B12R2.24 O=C1CCc2cnccc2N1 Amb22899719 [1,0,0,0,0,0|0,0,2]=3 283 B12R2.24 O=C1CCc2cncnc2N1 Amb27959197 [1,0,0,0,0,0|1,0,2]=4 284 B12R2.24 O=C1CNc2ccccc2N1 Amb6355388 [1,0,0,0,0,0|2,0,1]=4 285 B12R2.24 O=C1CNc2ccncc2N1 Amb18025377 [1,0,0,0,0,0|1,0,2]=4 286 B12R2.24 O=C1CNc2cnccc2N1 Amb18202157 [1,0,0,0,0,0|1,0,1]=3 287 B12R2.24 O=C1COc2ccccc2N1 Amb1011836 [1,0,0,0,0,0|2,0,1]=4 288 B12R2.24 O=C1COc2cnccc2N1 Amb22899221 [1,0,0,0,0,0|1,0,1]=3 289 B12R2.24 O=C1CSc2ccccc2N1 Amb1007458 [1,0,0,0,0,0|2,0,1]=4 290 B12R2.24 O=C1Cc2ccncc2CN1 Amb25760054 [1,0,0,0,0,0|2,0,1]=4 291 B12R2.24 O=C1N=Cc2ccccc2N1 Amb20653982 [1,0,0,0,0,0|2,0,0]=3 292 B12R2.24 O=C1N=Cc2ccccc2O1 Amb22054765 [1,0,0,0,0,0|3,0,0]=4 293 B12R2.24 O=C1N=Cc2cncnc2N1 Amb24619504 [1,0,0,0,0,0|2,0,0]=3 294 B12R2.24 O=C1Nc2ccccc2CO1 Amb19516356 [1,0,0,0,0,0|2,0,1]=4 295 B12R2.24 O=C1Nc2ccncc2CO1 Amb33625067 [1,0,0,0,0,0|1,0,1]=3 296 B12R2.24 O=c1ccn2ccccc2c1 Amb2609671 [1,0,0,0,0,0|3,0,0]=4 297 B12R2.24 O=n1ccc2ccccc2c1 Amb20247039 [1,0,0,0,0,0|3,0,0]=4 298 B12R2.24 Oc1cc2ccccc2cn1 Amb10068513 [1,0,0,0,0,0|3,0,0]=4 299 B12R2.24 Oc1cc2cnccc2cn1 Amb25051663 [1,0,0,0,0,0|2,0,0]=3 300 B12R2.24 Oc1cc[n+]2ccccc2c1 Amb24309279 [1,0,0,0,0,0|3,0,0]=4 301 B12R2.24 Oc1ccc2c(c1)OCC=C2 Amb27804492 [1,0,0,0,0,0|3,0,0]=4 302 B12R2.24 Oc1ccc2ccccc2c1 Amb2609036 [1,0,0,0,0,0|2,0,0]=3 303 B12R2.24 Oc1ccc2cccnc2c1 Amb33204453 [1,0,0,0,0,0|3,0,0]=4 304 B12R2.24 Oc1ccc2cccnc2c1 Amb535010 [1,0,0,0,0,0|3,0,0]=4 305 B12R2.24 Oc1ccc2ccncc2c1 Amb1152014 [1,0,0,0,0,0|1,0,0]=2 306 B12R2.24 Oc1ccc2ccncc2c1 Amb19373209 [1,0,0,0,0,0|1,0,0]=2 307 B12R2.24 Oc1ccc2ccnnc2c1 Amb25319976 [1,0,0,0,0,0|2,0,0]=3 308 B12R2.24 Oc1ccc2cnccc2c1 Amb10067627 [1,0,0,0,0,0|1,0,1]=3 309 B12R2.24 Oc1ccc2cnccc2c1 Amb30325887 [1,0,0,0,0,0|1,0,1]=3 310 B12R2.24 Oc1ccc2cncnc2c1 Amb24066333 [1,0,0,0,0,0|2,0,1]=4 311 B12R2.24 Oc1ccc2cncnc2n1 Amb27958671 [1,0,0,0,0,0|1,0,2]=4 312 B12R2.24 Oc1ccc2cnncc2c1 Amb28284891 [1,0,0,0,0,0|2,0,0]=3 313 B12R2.24 Oc1ccc2ncccc2c1 Amb2609971 [1,0,0,0,0,0|3,0,0]=4 314 B12R2.24 Oc1ccc2ncncc2c1 Amb8484685 [1,0,0,0,0,0|2,0,0]=3 315 B12R2.24 Oc1ccc2nnccc2c1 Amb26871668 [1,0,0,0,0,0|2,0,1]=4 316 B12R2.24 Oc1cnc2ccccc2c1 Amb2610757 [1,0,0,0,0,0|1,0,1]=3 317 B12R2.24 Oc1cnc2ccccc2n1 Amb2603786 [1,0,0,0,0,0|2,0,1]=4 318 B12R2.24 Oc1cnc2cccnc2c1 Amb13890072 [1,0,0,0,0,0|2,0,1]=4 319 B12R2.24 Oc1cnc2ccncc2c1 Amb27265400 [1,0,0,0,0,0|0,0,1]=2 320 B12R2.24 Oc1cnc2ncccc2c1 Amb26616876 [1,0,0,0,0,0|2,0,1]=4 321 B12R2.24 Oc1cnc2ncccc2c1 Amb32653317 [1,0,0,0,0,0|2,0,1]=4 322 B12R2.24 S=C1C=Cc2ccccc2N1 Amb18526983 [1,0,0,0,0,0|1,1,0]=3 323 B12R2.24 S=C1C=Cc2cccnc2N1 Amb27233738 [1,0,0,0,0,0|2,1,0]=4 324 B12R2.24 S=C1C=Nc2ccccc2N1 Amb18043605 [1,0,0,0,0,0|2,1,0]=4 325 B12R2.24 S=C1C=Nc2cncnc2N1 Amb27201648 [1,0,0,0,0,0|2,1,0]=4 326 B12R2.24 SC1=COc2ccccc2N1 Amb28204091 [1,0,0,0,0,0|2,1,0]=4 327 B12R2.24 Sc1ccc2ccccc2c1 Amb1152959 [1,0,0,0,0,0|2,1,0]=4 328 B12R2.24 Sc1ccc2ccccc2n1 Amb1151737 [1,0,0,0,0,0|1,1,1]=4 329 B12R2.24 Sc1cnc2ccccc2c1 Amb23440777 [1,0,0,0,0,0|1,1,1]=4 330 B12R2.24 [Mg+]c1ccc2ccccc2c1 Amb22044011 [1,0,0,0,0,0|3,0,0]=4 331 B14R2.639 CC1(C)Nc2cnccc2NC1=O Amb18196093 [0,1,0,0,0,0|2,0,1]=4 332 B14R2.639 CC1(C)Oc2cnccc2NC1=O Amb23402272 [0,1,0,0,0,0|2,0,1]=4 333 B14R2.639 CC1(C)Sc2cnccc2NC1=O Amb27240535 [0,1,0,0,0,0|2,0,1]=4 334 B14R2.639 CC1(O)Oc2ccccc2NC1=O Amb28205899 [0,1,0,0,0,0|2,0,1]=4 335 B14R2.1128 C#CC1=Cc2ccccc2OC1=O Amb27186021 [0,1,0,0,0,0|3,0,0]=4 336 B14R2.1128 C#CC1=Nc2ccccc2NC1=O Amb29853352 [0,1,0,0,0,0|3,0,0]=4 337 B14R2.1128 C=CC1=Nc2ccccc2NC1=O Amb28252437 [0,1,0,0,0,0|3,0,0]=4 338 B14R2.1128 C=Cc1cc2ccccc2cc1O Amb28383138 [0,1,0,0,0,0|3,0,0]=4 339 B14R2.1128 CCC1=Cc2ccccc2NC1=O Amb22723317 [0,1,0,0,0,0|2,0,0]=3 340 B14R2.1128 CCC1=Nc2ccccc2NC1=O Amb19891159 [0,1,0,0,0,0|3,0,0]=4 341 B14R2.1128 CCc1cc2ccccc2cc1O Amb25059607 [0,1,0,0,0,0|3,0,0]=4 342 B14R2.1128 CCc1nc2ccccc2cc1O Amb24749839 [0,1,0,0,0,0|2,0,1]=4 343 B14R2.1128 COC1=Cc2ccccc2OC1=O Amb23512578 [0,1,0,0,0,0|2,0,0]=3 344 B14R2.1128 COC1=Cc2ccncc2NC1=O Amb28364749 [0,1,0,0,0,0|2,0,0]=3 345 B14R2.1128 COC1=Cc2ncccc2NC1=O Amb27168932 [0,1,0,0,0,0|2,0,0]=3 346 B14R2.1128 COC1=Nc2cccnc2NC1=O Amb24674244 [0,1,0,0,0,0|3,0,0]=4 347 B14R2.1128 COc1cc2ccccc2cc1Br Amb22445934 [0,1,0,0,0,0|3,0,0]=4 348 B14R2.1128 COc1cc2ccccc2cc1C Amb24415328 [0,1,0,0,0,0|3,0,0]=4 349 B14R2.1128 COc1cc2ccccc2cc1Cl Amb24735700 [0,1,0,0,0,0|3,0,0]=4 350 B14R2.1128 COc1cc2ccccc2cc1I Amb26595184 [0,1,0,0,0,0|3,0,0]=4 351 B14R2.1128 COc1cc2ccccc2cc1N Amb18127045 [0,1,0,0,0,0|3,0,0]=4 352 B14R2.1128 COc1cc2ccccc2cc1O Amb6358072 [0,1,0,0,0,0|2,0,1]=4 353 B14R2.1128 COc1cc2ccccc2nc1Br Amb25739600 [0,1,0,0,0,0|2,0,1]=4 354 B14R2.1128 COc1cc2ccccc2nc1Cl Amb24534649 [0,1,0,0,0,0|2,0,1]=4 355 B14R2.1128 COc1cc2ccccc2nc1O Amb2612889 [0,1,0,0,0,0|1,0,2]=4 356 B14R2.1128 COc1cc2ccncc2cc1Br Amb25999152 [0,1,0,0,0,0|2,0,1]=4 357 B14R2.1128 COc1cc2ccncc2cc1O Amb33528714 [0,1,0,0,0,0|1,0,1]=3 358 B14R2.1128 COc1cc2cnccc2cc1Br Amb25771927 [0,1,0,0,0,0|2,0,0]=3 359 B14R2.1128 COc1cc2cnccc2cc1F Amb25697053 [0,1,0,0,0,0|2,0,0]=3 360 B14R2.1128 COc1cc2cnccc2cc1I Amb24566749 [0,1,0,0,0,0|2,0,0]=3 361 B14R2.1128 COc1cc2cnccc2cc1N Amb18197674 [0,1,0,0,0,0|2,0,0]=3 362 B14R2.1128 COc1cc2cnccc2nc1C Amb28051261 [0,1,0,0,0,0|1,0,1]=3 363 B14R2.1128 COc1cc2cncnc2cc1N Amb27415805 [0,1,0,0,0,0|3,0,0]=4 364 B14R2.1128 COc1nc2ccccc2cc1O Amb27476171 [0,1,0,0,0,0|1,0,2]=4 365 B14R2.1128 CSC1=Cc2ccccc2OC1=O Amb27623644 [0,1,0,0,0,0|2,1,0]=4 366 B14R2.1128 Cc1cc2ccccc2cc1CO Amb25943382 [0,1,0,0,0,0|3,0,0]=4 367 B14R2.1128 Cc1cc2ccccc2nc1C=O Amb22372301 [0,1,0,0,0,0|2,0,1]=4 368 B14R2.1128 Cc1nc2ccccc2cc1CO Amb27804004 [0,1,0,0,0,0|2,0,1]=4 369 B14R2.1128 Cc1nc2ccncc2cc1C#N Amb27645265 [0,1,0,0,0,0|2,0,1]=4 370 B14R2.1128 N#CC1=Cc2ccccc2NC1=O Amb18003107 [0,1,0,0,0,0|2,0,0]=3 371 B14R2.1128 N#CC1=Cc2ccccc2OC1=O Amb18531768 [0,1,0,0,0,0|3,0,0]=4 372 B14R2.1128 N#CC1=Cc2cccnc2NC1=O Amb19895271 [0,1,0,0,0,0|3,0,0]=4 373 B14R2.1128 N#CC1=Cc2cnccc2NC1=O Amb25815326 [0,1,0,0,0,0|1,0,0]=2 374 B14R2.1128 N#CC1=Nc2ccccc2NC1=O Amb18126753 [0,1,0,0,0,0|3,0,0]=4 375 B14R2.1128 N#Cc1cc2ccccc2cc1O Amb27591627 [0,1,0,0,0,0|3,0,0]=4 376 B14R2.1128 N#Cc1cc2ccncc2nc1O Amb18647471 [0,1,0,0,0,0|3,0,0]=4 377 B14R2.1128 N#Cc1nc2ccccc2cc1O Amb24655868 [0,1,0,0,0,0|2,0,1]=4 378 B14R2.1128 NCC1=Cc2ccccc2NC1=O Amb17991271 [0,1,0,0,0,0|2,0,0]=3 379 B14R2.1128 NCC1=Cc2ccccc2NC1=O Amb18908960 [0,1,0,0,0,0|2,0,0]=3 380 B14R2.1128 NCC1=Cc2ccccc2OC1=O Amb18908987 [0,1,0,0,0,0|3,0,0]=4 381 B14R2.1128 NCC1=Cc2ccccc2OC1=O Amb32686597 [0,1,0,0,0,0|3,0,0]=4 382 B14R2.1128 NCC1=Cc2cccnc2NC1=O Amb18252246 [0,1,0,0,0,0|3,0,0]=4 383 B14R2.1128 NCC1=Cc2ccncc2NC1=O Amb32668058 [0,1,0,0,0,0|3,0,0]=4 384 B14R2.1128 NCC1=Cc2cnccc2NC1=O Amb32668056 [0,1,0,0,0,0|1,0,0]=2 385 B14R2.1128 NCc1cc2ccccc2cc1O Amb26044834 [0,1,0,0,0,0|3,0,0]=4 386 B14R2.1128 NNC1=Nc2ccccc2NC1=O Amb18127652 [0,1,0,0,0,0|3,0,0]=4 387 B14R2.1128 NNc1cc2ccccc2cc1O Amb27830653 [0,1,0,0,0,0|3,0,0]=4 388 B14R2.1128 Nc1cc2ccccc2cc1C=O Amb25782655 [0,1,0,0,0,0|3,0,0]=4 389 B14R2.1128 Nc1cc2ccccc2cc1CO Amb19959319 [0,1,0,0,0,0|3,0,0]=4 390 B14R2.1128 Nc1cc2ccccc2nc1C=O Amb23401878 [0,1,0,0,0,0|2,0,1]=4 391 B14R2.1128 Nc1nc2ccccc2cc1CO Amb18946793 [0,1,0,0,0,0|2,0,1]=4 392 B14R2.1128 O=C1Nc2ccccc2C=C1CCl Amb18015274 [0,1,0,0,0,0|2,0,0]=3 393 B14R2.1128 O=C1Nc2ccccc2C=C1CO Amb18528795 [0,1,0,0,0,0|1,0,0]=2 394 B14R2.1128 O=C1Nc2ccccc2C=C1NO Amb27827448 [0,1,0,0,0,0|1,0,0]=2 395 B14R2.1128 O=C1Nc2ccccc2N=C1CBr Amb18026153 [0,1,0,0,0,0|3,0,0]=4 396 B14R2.1128 O=C1Nc2ccccc2N=C1CCl Amb24723234 [0,1,0,0,0,0|3,0,0]=4 397 B14R2.1128 O=C1Nc2ccccc2N=C1NO Amb20641462 [0,1,0,0,0,0|2,0,0]=3 398 B14R2.1128 O=C1Nc2ccccc2NC1CO Amb9777133 [0,1,0,0,0,0|2,0,1]=4 399 B14R2.1128 O=C1Nc2ccccc2N[C@@H]1CO Amb24567701 [0,1,0,0,0,0|2,0,1]=4 400 B14R2.1128 O=C1Nc2ccccc2O[C@H]1CO Amb27618136 [0,1,0,0,0,0|2,0,1]=4 401 B14R2.1128 O=C1Nc2ncccc2C=C1CBr Amb25338287 [0,1,0,0,0,0|3,0,0]=4 402 B14R2.1128 O=C1Oc2ccccc2C=C1CBr Amb27239513 [0,1,0,0,0,0|3,0,0]=4 403 B14R2.1128 O=C1Oc2ccccc2C=C1CCl Amb21937093 [0,1,0,0,0,0|3,0,0]=4 404 B14R2.1128 O=C1Oc2ccccc2C\C1=N\O Amb27441913 [0,1,0,0,0,0|2,0,1]=4 405 B14R2.1128 O=C1Oc2ccccc2N=C1NO Amb20641490 [0,1,0,0,0,0|3,0,0]=4 406 B14R2.1128 O=C1Sc2ccccc2N=C1NO Amb20641550 [0,1,0,0,0,0|3,0,0]=4 407 B14R2.1128 O=CC1=C(O)Nc2ccccc2N1 Amb27265827 [0,1,0,0,0,0|2,0,0]=3 408 B14R2.1128 O=CC1=Cc2ccccc2NC1=O Amb18014582 [0,1,0,0,0,0|1,0,1]=3 409 B14R2.1128 O=CC1=Cc2ccccc2OC1=O Amb18647793 [0,1,0,0,0,0|2,0,1]=4 410 B14R2.1128 O=Cc1cc2ccccc2cc1Cl Amb18650675 [0,1,0,0,0,0|3,0,0]=4 411 B14R2.1128 O=Cc1cc2ccccc2cc1F Amb18647802 [0,1,0,0,0,0|3,0,0]=4 412 B14R2.1128 O=Cc1cc2ccccc2cc1I Amb27223051 [0,1,0,0,0,0|3,0,0]=4 413 B14R2.1128 O=Cc1cc2ccccc2cc1O Amb5494028 [0,1,0,0,0,0|2,0,0]=3 414 B14R2.1128 O=Cc1cc2ccccc2nc1O Amb1794818 [0,1,0,0,0,0|3,0,0]=4 415 B14R2.1128 O=Cc1cc2cccnc2cc1O Amb24432684 [0,1,0,0,0,0|3,0,0]=4 416 B14R2.1128 O=Cc1nc2ccccc2cc1Br Amb19516501 [0,1,0,0,0,0|2,0,1]=4 417 B14R2.1128 O=Cc1nc2ccccc2cc1Cl Amb25859966 [0,1,0,0,0,0|2,0,1]=4 418 B14R2.1128 O=Cc1nc2ccccc2cc1F Amb22547353 [0,1,0,0,0,0|2,0,1]=4 419 B14R2.1128 O=Cc1nc2ccccc2cc1I Amb27487355 [0,1,0,0,0,0|2,0,1]=4 420 B14R2.1128 O=Cc1nc2ccccc2nc1O Amb17594377 [0,1,0,0,0,0|2,0,1]=4 421 B14R2.1128 O=c1nc2ccccc2n\c1=N\O Amb2786676 [0,1,0,0,0,0|2,0,1]=4 422 B14R2.1128 OCc1cc2ccccc2cc1Br Amb27814189 [0,1,0,0,0,0|3,0,0]=4 423 B14R2.1128 OCc1cc2ccccc2cc1Cl Amb26512048 [0,1,0,0,0,0|3,0,0]=4 424 B14R2.1128 OCc1cc2ccccc2cc1F Amb25927086 [0,1,0,0,0,0|3,0,0]=4 425 B14R2.1128 OCc1cc2ccccc2cc1I Amb27949521 [0,1,0,0,0,0|3,0,0]=4 426 B14R2.1128 OCc1cc2ccccc2cc1O Amb18127196 [0,1,0,0,0,0|2,0,1]=4 427 B14R2.1128 OCc1cc2ccccc2nc1Cl Amb696676 [0,1,0,0,0,0|2,0,1]=4 428 B14R2.1128 OCc1cc2ccccc2nc1I Amb24309344 [0,1,0,0,0,0|2,0,1]=4 429 B14R2.1128 Oc1cc2ccccc2cc1CBr Amb26316705 [0,1,0,0,0,0|3,0,0]=4 430 B14R2.1128 Oc1cc2ccccc2cc1CCl Amb26053532 [0,1,0,0,0,0|3,0,0]=4 431 B14R2.8188 C=C1c2ccccc2NC(=O)N1C Amb25309633 [0,1,0,0,0,0|3,0,0]=4 432 B14R2.8188 CC1=C(Br)C(=O)Nc2ccccc21 Amb19650649 [0,1,0,0,0,0|2,0,0]=3 433 B14R2.8188 CC1=C(C)C(=O)c2ccccc2N1 Amb18180399 [0,1,0,0,0,0|3,0,0]=4 434 B14R2.8188 CC1=C(C)C(=O)c2cnccc2O1 Amb28066698 [0,1,0,0,0,0|3,0,0]=4 435 B14R2.8188 CC1=C(C)C(=S)c2ccccc2N1 Amb19553674 [0,1,0,0,0,0|3,0,0]=4 436 B14R2.8188 CC1=C(C)c2ccccc2OC1=O Amb20247473 [0,1,0,0,0,0|3,0,0]=4 437 B14R2.8188 CC1=C(Cl)c2ccccc2NC1=O Amb28457180 [0,1,0,0,0,0|2,0,0]=3 438 B14R2.8188 CC1=C(I)C(=O)c2ccccc2N1 Amb23533648 [0,1,0,0,0,0|3,0,0]=4 439 B14R2.8188 CC1=C(N)C(=O)Oc2ccccc21 Amb18127405 [0,1,0,0,0,0|3,0,0]=4 440 B14R2.8188 CC1=C(N)C(=O)c2ccccc2N1 Amb18647838 [0,1,0,0,0,0|3,0,0]=4 441 B14R2.8188 CC1=C(N)c2ccccc2NC1=O Amb25097050 [0,1,0,0,0,0|2,0,0]=3 442 B14R2.8188 CC1=C(O)C(=O)Nc2ccccc21 Amb22752590 [0,1,0,0,0,0|1,0,0]=2 443 B14R2.8188 CC1=C(O)C(=O)c2ccccc2N1 Amb20171457 [0,1,0,0,0,0|2,0,0]=3 444 B14R2.8188 CC1=C(O)C(=O)c2ccccc2O1 Amb24633658 [0,1,0,0,0,0|3,0,0]=4 445 B14R2.8188 CC1=C(O)c2ccccc2NC1=O Amb22752589 [0,1,0,0,0,0|2,0,0]=3 446 B14R2.8188 CC1=Cc2ccccc2N(C)C1=O Amb22904186 [0,1,0,0,0,0|2,0,0]=3 447 B14R2.8188 CC1=Nc2ccccc2N(C)C1=O Amb19652902 [0,1,0,0,0,0|3,0,0]=4 448 B14R2.8188 CC1=Nc2ccccc2N(N)C1=O Amb28319544 [0,1,0,0,0,0|3,0,0]=4 449 B14R2.8188 CC1=Nc2ccccc2N(O)C1=O Amb27205386 [0,1,0,0,0,0|3,0,0]=4 450 B14R2.8188 CC1=Nc2cnccc2N(C)C1=O Amb28242334 [0,1,0,0,0,0|2,0,0]=3 451 B14R2.8188 CC1C(=O)Nc2ccccc2C1=O Amb35735225 [0,1,0,0,0,0|2,0,1]=4 452 B14R2.8188 CN1C(=O)C(=O)Nc2ccccc21 Amb19516760 [0,1,0,0,0,0|2,0,1]=4 453 B14R2.8188 CN1C(=O)C(=O)Nc2ccncc21 Amb27868476 [0,1,0,0,0,0|1,0,1]=3 454 B14R2.8188 CN1C(=O)C(=O)Nc2cncnc21 Amb27793471 [0,1,0,0,0,0|2,0,1]=4 455 B14R2.8188 CN1C(=O)C(=O)Nc2ncncc21 Amb24726973 [0,1,0,0,0,0|2,0,1]=4 456 B14R2.8188 CN1C(=O)C(Br)=Cc2ccccc21 Amb20246919 [0,1,0,0,0,0|2,0,0]=3 457 B14R2.8188 CN1C(=O)C(F)=Cc2ccccc21 Amb22547226 [0,1,0,0,0,0|2,0,0]=3 458 B14R2.8188 CN1C(=O)C(N)=Cc2ccccc21 Amb18065259 [0,1,0,0,0,0|2,0,0]=3 459 B14R2.8188 CN1C(=O)C(O)=Nc2ncccc21 Amb23557988 [0,1,0,0,0,0|3,0,0]=4 460 B14R2.8188 CN1C(=O)Nc2ccccc2C1=O Amb19372548 [0,1,0,0,0,0|3,0,0]=4 461 B14R2.8188 Cc1c(Br)c(=O)oc2ccccc12 Amb2797846 [0,1,0,0,0,0|3,0,0]=4 462 B14R2.8188 Cc1c(F)c(F)cc2cnccc12 Amb27249581 [0,1,0,0,0,0|3,0,0]=4 463 B14R2.8188 Cc1c(O)cc2ccccc2c1C Amb24309351 [0,1,0,0,0,0|3,0,0]=4 464 B14R2.8188 Cc1c(O)cc2ccccc2c1O Amb27589809 [0,1,0,0,0,0|3,0,0]=4 465 B14R2.8188 Cc1cc2ccccc2c(Br)c1O Amb27604330 [0,1,0,0,0,0|3,0,0]=4 466 B14R2.8188 Cc1nc2ccccc2c(Br)c1O Amb15695061 [0,1,0,0,0,0|2,0,1]=4 467 B14R2.8188 Cc1nc2ccncc2c(Cl)c1Br Amb23455369 [0,1,0,0,0,0|2,0,1]=4 468 B14R2.8188 Cn1c(=O)c(N)nc2ccccc21 Amb8439682 [0,1,0,0,0,0|3,0,0]=4 469 B14R2.8188 Fc1c(Br)cc2cnccc2c1F Amb32670343 [0,1,0,0,0,0|3,0,0]=4 470 B14R2.8188 Fc1c(Cl)cc2cnccc2c1Cl Amb27398470 [0,1,0,0,0,0|3,0,0]=4 471 B14R2.8188 Fc1cc2ccncc2c(F)c1F Amb18349257 [0,1,0,0,0,0|3,0,0]=4 472 B14R2.8188 Fc1cc2cnccc2c(F)c1F Amb18349238 [0,1,0,0,0,0|3,0,0]=4 473 B14R2.8188 NC1=C(N)c2ccccc2OC1=O Amb18647951 [0,1,0,0,0,0|3,0,0]=4 474 B14R2.8188 NC1=C(O)C(=O)Oc2ccccc21 Amb28255541 [0,1,0,0,0,0|2,0,0]=3 475 B14R2.8188 NC1=C(O)C(=O)c2ccccc2O1 Amb28054811 [0,1,0,0,0,0|3,0,0]=4 476 B14R2.8188 NC1=C(O)Nc2ccccc2N1O Amb27445463 [0,1,0,0,0,0|3,0,0]=4 477 B14R2.8188 NC1=Cc2ccccc2N(O)C1=O Amb27244820 [0,1,0,0,0,0|2,0,0]=3 478 B14R2.8188 NN1C(=O)C(=O)Nc2ccccc21 Amb25828466 [0,1,0,0,0,0|2,0,1]=4 479 B14R2.8188 NN1C(=O)Nc2ccccc2C1=O Amb18186048 [0,1,0,0,0,0|3,0,0]=4 480 B14R2.8188 Nc1c(I)cc2ccncc2c1Br Amb27636391 [0,1,0,0,0,0|3,0,0]=4 481 B14R2.8188 Nc1c(O)c(O)cc2ccccc12 Amb17594436 [0,1,0,0,0,0|2,0,1]=4 482 B14R2.8188 Nc1c(O)cc2ccccc2c1N Amb17594400 [0,1,0,0,0,0|3,0,0]=4 483 B14R2.8188 Nc1cc2ccccc2c(N)c1O Amb17594395 [0,1,0,0,0,0|3,0,0]=4 484 B14R2.8188 Nc1cc2ccccc2c(O)c1O Amb17594426 [0,1,0,0,0,0|3,0,0]=4 485 B14R2.8188 Nc1nc2ccccc2c(O)c1O Amb27453637 [0,1,0,0,0,0|2,0,1]=4 486 B14R2.8188 O=C1C(=O)c2ccccc2C=C1Cl Amb27404598 [0,1,0,0,0,0|3,0,0]=4 487 B14R2.8188 O=C1C(=O)c2ccccc2C=C1O Amb17594373 [0,1,0,0,0,0|2,0,0]=3 488 B14R2.8188 O=C1C(O)Oc2ccccc2N1O Amb9824609 [0,1,0,0,0,0|2,0,1]=4 489 B14R2.8188 O=C1Cc2ccccc2C(=O)N1O Amb10553629 [0,1,0,0,0,0|3,0,0]=4 490 B14R2.8188 O=C1Nc2ccccc2C(=O)C1=O Amb26519857 [0,1,0,0,0,0|1,0,1]=3 491 B14R2.8188 O=C1Nc2ccccc2C(Cl)=C1Br Amb23533718 [0,1,0,0,0,0|2,0,0]=3 492 B14R2.8188 O=C1Nc2ccccc2C(O)=C1F Amb19667464 [0,1,0,0,0,0|2,0,0]=3 493 B14R2.8188 O=C1Nc2ccccc2C(O)=C1O Amb21912810 [0,1,0,0,0,0|1,0,0]=2 494 B14R2.8188 O=C1Nc2ccccc2C(O)C1O Amb28120097 [0,1,0,0,0,0|1,0,2]=4 495 B14R2.8188 O=C1Oc2ccccc2C(O)=C1Br Amb19517267 [0,1,0,0,0,0|3,0,0]=4 496 B14R2.8188 O=C1Oc2ccccc2C(O)=C1O Amb28243097 [0,1,0,0,0,0|2,0,0]=3 497 B14R2.8188 Oc1c(Cl)cc2ccccc2c1Cl Amb17595764 [0,1,0,0,0,0|3,0,0]=4 498 B14R2.8188 Oc1c(Cl)cc2ccccc2c1O Amb27949113 [0,1,0,0,0,0|3,0,0]=4 499 B14R2.8188 Oc1cc2ccccc2c(Br)c1O Amb28435398 [0,1,0,0,0,0|2,0,1]=4 500 B14R2.8188 Oc1cc2ccccc2c(Cl)c1Cl Amb17595770 [0,1,0,0,0,0|3,0,0]=4 501 B14R2.8188 Oc1cc2ccccc2c(O)c1O Amb17594459 [0,1,0,0,0,0|2,0,1]=4 502 B14R2.8239 C=C1Nc2cc(C)ccc2NC1=O Amb25222560 [0,1,0,0,0,0|3,0,0]=4 503 B14R2.8239 C=C1Nc2ccc(C)cc2NC1=O Amb25996380 [0,1,0,0,0,0|3,0,0]=4 504 B14R2.8239 CC1=Cc2cc(Br)cnc2NC1=O Amb22497903 [0,1,0,0,0,0|3,0,0]=4 505 B14R2.8239 CC1=Cc2cc(C)ccc2NC1=O Amb24703263 [0,1,0,0,0,0|2,0,0]=3 506 B14R2.8239 CC1=Cc2cc(N)ccc2NC1=O Amb18529717 [0,1,0,0,0,0|2,0,0]=3 507 B14R2.8239 CC1=Cc2cc(O)ccc2NC1=O Amb18538502 [0,1,0,0,0,0|2,0,0]=3 508 B14R2.8239 CC1=Cc2ccc(C)cc2NC1=O Amb24670978 [0,1,0,0,0,0|2,0,0]=3 509 B14R2.8239 CC1=Cc2ccc(Cl)cc2NC1=O Amb27751346 [0,1,0,0,0,0|2,0,0]=3 510 B14R2.8239 CC1=Cc2ccc(F)cc2OC1=O Amb33719440 [0,1,0,0,0,0|3,0,0]=4 511 B14R2.8239 CC1=Cc2ccc(N)cc2NC1=O Amb18537355 [0,1,0,0,0,0|2,0,0]=3 512 B14R2.8239 CC1=Cc2ccc(O)cc2NC1=O Amb22752603 [0,1,0,0,0,0|2,0,0]=3 513 B14R2.8239 CC1=Cc2ccc(O)cc2OC1=O Amb18127560 [0,1,0,0,0,0|3,0,0]=4 514 B14R2.8239 CC1=Nc2cc(Br)ccc2NC1=O Amb20412635 [0,1,0,0,0,0|3,0,0]=4 515 B14R2.8239 CC1=Nc2ccc(Br)cc2NC1=O Amb19657942 [0,1,0,0,0,0|3,0,0]=4 516 B14R2.8239 CC1=Nc2ccc(C)cc2NC1=O Amb20412682 [0,1,0,0,0,0|3,0,0]=4 517 B14R2.8239 CC1=Nc2ccc(Cl)cc2NC1=O Amb20412679 [0,1,0,0,0,0|3,0,0]=4 518 B14R2.8239 CC1=Nc2cnc(N)nc2NC1=O Amb27224705 [0,1,0,0,0,0|3,0,0]=4 519 B14R2.8239 CC1Cc2cnc(N)cc2NC1=O Amb27180086 [0,1,0,0,0,0|1,0,2]=4 520 B14R2.8239 Cc1ccc2c(c1)C=C(Br)C(=O)O2 Amb23580464 [0,1,0,0,0,0|3,0,0]=4 521 B14R2.8239 Cc1ccc2c(c1)C=C(N)C(=O)O2 Amb26054633 [0,1,0,0,0,0|3,0,0]=4 522 B14R2.8239 Cc1ccc2c(c1)C=C(O)C(=O)N2 Amb22752606 [0,1,0,0,0,0|1,0,0]=2 523 B14R2.8239 Cc1ccc2c(c1)C[C@H](O)C(=O)N2 Amb28205939 [0,1,0,0,0,0|1,0,2]=4 524 B14R2.8239 Cc1ccc2c(c1)N=C(Cl)C(=O)N2 Amb27427018 [0,1,0,0,0,0|3,0,0]=4 525 B14R2.8239 Cc1ccc2c(c1)NC(=O)C(=O)N2 Amb18043058 [0,1,0,0,0,0|2,0,1]=4 526 B14R2.8239 Cc1ccc2c(c1)NC(=O)C(F)=C2 Amb27184526 [0,1,0,0,0,0|2,0,0]=3 527 B14R2.8239 Cc1ccc2c(c1)NC(=O)C(O)=C2 Amb22752604 [0,1,0,0,0,0|1,0,0]=2 528 B14R2.8239 Cc1ccc2c(n1)NC(=O)C(Br)=C2 Amb23455854 [0,1,0,0,0,0|3,0,0]=4 529 B14R2.8239 Cc1ccc2nc(C)c(O)cc2c1 Amb33133959 [0,1,0,0,0,0|2,0,1]=4 530 B14R2.8239 Cc1nc2cc(Br)ccc2cc1O Amb33134036 [0,1,0,0,0,0|2,0,1]=4 531 B14R2.8239 Cc1nc2cc(Cl)ccc2cc1O Amb33134124 [0,1,0,0,0,0|2,0,1]=4 532 B14R2.8239 Cc1nc2cc(F)ccc2cc1O Amb33133993 [0,1,0,0,0,0|2,0,1]=4 533 B14R2.8239 Cc1nc2ccc(Br)cc2cc1O Amb22496218 [0,1,0,0,0,0|2,0,1]=4 534 B14R2.8239 Cc1nc2ccc(Cl)cc2cc1O Amb32416795 [0,1,0,0,0,0|2,0,1]=4 535 B14R2.8239 Cc1nc2ccc(F)cc2cc1O Amb32416801 [0,1,0,0,0,0|2,0,1]=4 536 B14R2.8239 Cc1nc2ccc(N)cc2cc1O Amb33133854 [0,1,0,0,0,0|2,0,1]=4 537 B14R2.8239 Fc1cc2cc(Br)ncc2cc1Br Amb31307894 [0,1,0,0,0,0|3,0,0]=4 538 B14R2.8239 Fc1cc2cnc(Cl)cc2cc1Br Amb27263556 [0,1,0,0,0,0|3,0,0]=4 539 B14R2.8239 Fc1cc2cnc(Cl)cc2cc1F Amb26851780 [0,1,0,0,0,0|3,0,0]=4 540 B14R2.8239 NC1=Cc2cc(Br)ccc2OC1=O Amb25116013 [0,1,0,0,0,0|3,0,0]=4 541 B14R2.8239 NC1=Cc2cc(F)ccc2OC1=O Amb27631411 [0,1,0,0,0,0|3,0,0]=4 542 B14R2.8239 NC1=Cc2cc(N)ccc2OC1=O Amb26033314 [0,1,0,0,0,0|3,0,0]=4 543 B14R2.8239 NC1=Cc2cc(O)ccc2OC1=O Amb25189956 [0,1,0,0,0,0|3,0,0]=4 544 B14R2.8239 NC1=Nc2cc(Cl)ccc2NC1=O Amb27238644 [0,1,0,0,0,0|3,0,0]=4 545 B14R2.8239 NC1=Nc2ccc(Br)cc2NC1=O Amb27771981 [0,1,0,0,0,0|3,0,0]=4 546 B14R2.8239 Nc1cc2cc(Br)ccc2cc1O Amb28123732 [0,1,0,0,0,0|3,0,0]=4 547 B14R2.8239 Nc1cc2cc(F)c(F)cc2cn1 Amb27862559 [0,1,0,0,0,0|3,0,0]=4 548 B14R2.8239 Nc1cc2ccc(O)cc2cc1O Amb27393167 [0,1,0,0,0,0|3,0,0]=4 549 B14R2.8239 Nc1ccc2c(c1)C=C(Br)C(=O)O2 Amb28185190 [0,1,0,0,0,0|3,0,0]=4 550 B14R2.8239 Nc1ccc2c(c1)NC(=O)C(=O)N2 Amb18038531 [0,1,0,0,0,0|2,0,1]=4 551 B14R2.8239 Nc1ccc2c(c1)NC(=O)C(=O)N2 Amb21955545 [0,1,0,0,0,0|2,0,1]=4 552 B14R2.8239 Nc1ccc2c(c1)NC(=O)C(O)=C2 Amb26622269 [0,1,0,0,0,0|1,0,0]=2 553 B14R2.8239 Nc1ccc2c(n1)NC(=O)C(I)=C2 Amb23510058 [0,1,0,0,0,0|3,0,0]=4 554 B14R2.8239 Nc1ncc2c(n1)NC(=O)C(=O)N2 Amb26880802 [0,1,0,0,0,0|2,0,1]=4 555 B14R2.8239 O=C1N=CC2=C(N1)NC(=O)C(=O)N2 Amb25224410 [0,1,0,0,0,0|2,0,1]=4 556 B14R2.8239 O=C1Nc2cc(Br)ccc2C=C1O Amb25041039 [0,1,0,0,0,0|1,0,0]=2 557 B14R2.8239 O=C1Nc2cc(Br)ccc2N=C1Cl Amb27963102 [0,1,0,0,0,0|3,0,0]=4 558 B14R2.8239 O=C1Nc2cc(Cl)ccc2C=C1F Amb27868400 [0,1,0,0,0,0|2,0,0]=3 559 B14R2.8239 O=C1Nc2cc(Cl)ccc2C=C1O Amb28186631 [0,1,0,0,0,0|1,0,0]=2 560 B14R2.8239 O=C1Nc2cc(Cl)ccc2N=C1Cl Amb27815873 [0,1,0,0,0,0|3,0,0]=4 561 B14R2.8239 O=C1Nc2cc(Cl)ccc2OC1O Amb26449481 [0,1,0,0,0,0|2,0,1]=4 562 B14R2.8239 O=C1Nc2cc(Cl)cnc2C=C1O Amb27792917 [0,1,0,0,0,0|2,0,0]=3 563 B14R2.8239 O=C1Nc2cc(F)ccc2C=C1F Amb22547386 [0,1,0,0,0,0|2,0,0]=3 564 B14R2.8239 O=C1Nc2cc(F)cnc2C=C1O Amb27793269 [0,1,0,0,0,0|2,0,0]=3 565 B14R2.8239 O=C1Nc2ccc(Br)cc2C=C1Br Amb26331489 [0,1,0,0,0,0|2,0,0]=3 566 B14R2.8239 O=C1Nc2ccc(Br)cc2C=C1I Amb26327962 [0,1,0,0,0,0|2,0,0]=3 567 B14R2.8239 O=C1Nc2ccc(Br)cc2C=C1O Amb25866612 [0,1,0,0,0,0|1,0,0]=2 568 B14R2.8239 O=C1Nc2ccc(Br)cc2CC1O Amb22899291 [0,1,0,0,0,0|1,0,2]=4 569 B14R2.8239 O=C1Nc2ccc(Br)cc2NC1=O Amb18541037 [0,1,0,0,0,0|2,0,1]=4 570 B14R2.8239 O=C1Nc2ccc(Cl)cc2C=C1Br Amb23450241 [0,1,0,0,0,0|2,0,0]=3 571 B14R2.8239 O=C1Nc2ccc(Cl)cc2C=C1F Amb22547371 [0,1,0,0,0,0|2,0,0]=3 572 B14R2.8239 O=C1Nc2ccc(Cl)cc2C=C1O Amb24658218 [0,1,0,0,0,0|1,0,0]=2 573 B14R2.8239 O=C1Nc2ccc(Cl)cc2NC1=O Amb18043060 [0,1,0,0,0,0|2,0,1]=4 574 B14R2.8239 O=C1Nc2ccc(F)cc2C=C1Br Amb23451834 [0,1,0,0,0,0|2,0,0]=3 575 B14R2.8239 O=C1Nc2ccc(F)cc2C=C1Cl Amb23451835 [0,1,0,0,0,0|2,0,0]=3 576 B14R2.8239 O=C1Nc2ccc(F)cc2C=C1F Amb22641642 [0,1,0,0,0,0|2,0,0]=3 577 B14R2.8239 O=C1Nc2ccc(F)cc2C=C1O Amb25124313 [0,1,0,0,0,0|1,0,0]=2 578 B14R2.8239 O=C1Nc2ccc(F)cc2N=C1Cl Amb27618344 [0,1,0,0,0,0|3,0,0]=4 579 B14R2.8239 O=C1Nc2ccc(F)cc2NC1=O Amb18043059 [0,1,0,0,0,0|2,0,1]=4 580 B14R2.8239 O=C1Nc2ccc(F)cc2OC1O Amb27243174 [0,1,0,0,0,0|2,0,1]=4 581 B14R2.8239 O=C1Nc2ccc(I)cc2NC1=O Amb24488714 [0,1,0,0,0,0|2,0,1]=4 582 B14R2.8239 O=C1Nc2ccc(O)cc2C=C1Cl Amb18035970 [0,1,0,0,0,0|2,0,0]=3 583 B14R2.8239 O=C1Nc2ccc(O)cc2NC1=O Amb18128049 [0,1,0,0,0,0|2,0,1]=4 584 B14R2.8239 O=C1Nc2ccc(O)cc2OC1O Amb22168797 [0,1,0,0,0,0|2,0,1]=4 585 B14R2.8239 O=C1Nc2ncc(Cl)cc2C=C1O Amb27170935 [0,1,0,0,0,0|2,0,0]=3 586 B14R2.8239 O=C1Oc2cc(Br)ccc2C=C1Br Amb28051742 [0,1,0,0,0,0|3,0,0]=4 587 B14R2.8239 O=C1Oc2cc(O)ccc2C=C1Br Amb24556387 [0,1,0,0,0,0|3,0,0]=4 588 B14R2.8239 O=C1Oc2cc(O)ccc2C=C1O Amb26377380 [0,1,0,0,0,0|2,0,0]=3 589 B14R2.8239 O=C1Oc2ccc(Br)cc2C=C1Br Amb26974401 [0,1,0,0,0,0|3,0,0]=4 590 B14R2.8239 O=C1Oc2ccc(Cl)cc2C=C1Br Amb23580471 [0,1,0,0,0,0|3,0,0]=4 591 B14R2.8239 O=C1Oc2ccc(F)cc2C=C1Br Amb23580472 [0,1,0,0,0,0|3,0,0]=4 592 B14R2.8239 O=C1Oc2ccc(O)cc2C=C1O Amb28367070 [0,1,0,0,0,0|2,0,0]=3 593 B14R2.8239 Oc1cc2cc(Cl)c(Cl)cc2cn1 Amb28256114 [0,1,0,0,0,0|3,0,0]=4 594 B14R2.8239 Oc1cc2cc(Cl)ccc2nc1Br Amb25320239 [0,1,0,0,0,0|2,0,1]=4 595 B14R2.8239 Oc1cc2cc(Cl)ccc2nc1Cl Amb27231513 [0,1,0,0,0,0|2,0,1]=4 596 B14R2.8239 Oc1cc2cc(F)ccc2nc1Cl Amb28282561 [0,1,0,0,0,0|2,0,1]=4 597 B14R2.8239 Oc1cc2ccc(Cl)cc2cc1Cl Amb17595771 [0,1,0,0,0,0|3,0,0]=4 598 B14R2.8239 Oc1cc2ccc(Cl)cc2nc1Cl Amb27203959 [0,1,0,0,0,0|2,0,1]=4 599 B14R2.8239 Oc1cc2ccc(S)cc2cc1O Amb28351592 [0,1,0,0,0,0|2,0,1]=4 600 B14R2.8239 Oc1ccc2cc(Br)c(O)cc2c1 Amb28130965 [0,1,0,0,0,0|3,0,0]=4 601 B14R2.28472 CC1=Cc2c(O)cccc2NC1=O Amb22752597 [0,1,0,0,0,0|2,0,0]=3 602 B14R2.28472 CC1=Cc2cccc(Br)c2NC1=O Amb33714882 [0,1,0,0,0,0|2,0,0]=3 603 B14R2.28472 CC1=Cc2cccc(C)c2NC1=O Amb24425415 [0,1,0,0,0,0|2,0,0]=3 604 B14R2.28472 CC1=Cc2cccc(N)c2OC1=O Amb27259329 [0,1,0,0,0,0|3,0,0]=4 605 B14R2.28472 CC1=Cc2cccc(O)c2NC1=O Amb22752602 [0,1,0,0,0,0|2,0,0]=3 606 B14R2.28472 CC1=Cc2ccnc(Cl)c2NC1=O Amb33714877 [0,1,0,0,0,0|3,0,0]=4 607 B14R2.28472 CC1=Nc2c(Br)cccc2NC1=O Amb27445801 [0,1,0,0,0,0|3,0,0]=4 608 B14R2.28472 CC1=Nc2c(Cl)cccc2NC1=O Amb27635802 [0,1,0,0,0,0|3,0,0]=4 609 B14R2.28472 CC1=Nc2cccc(Br)c2NC1=O Amb27421476 [0,1,0,0,0,0|3,0,0]=4 610 B14R2.28472 Cc1cc2c(Br)nccc2cc1F Amb18560401 [0,1,0,0,0,0|3,0,0]=4 611 B14R2.28472 Cc1cc2c(Cl)nccc2cc1F Amb18062815 [0,1,0,0,0,0|3,0,0]=4 612 B14R2.28472 Cc1cc2c(N)nccc2cc1F Amb18062849 [0,1,0,0,0,0|3,0,0]=4 613 B14R2.28472 Cc1cc2c(O)nccc2cc1F Amb18062809 [0,1,0,0,0,0|3,0,0]=4 614 B14R2.28472 Cc1cc2ccnc(Br)c2cc1C Amb18062827 [0,1,0,0,0,0|3,0,0]=4 615 B14R2.28472 Cc1cc2ccnc(Cl)c2cc1C Amb18560355 [0,1,0,0,0,0|3,0,0]=4 616 B14R2.28472 Cc1cc2ccnc(N)c2cc1C Amb18560419 [0,1,0,0,0,0|3,0,0]=4 617 B14R2.28472 Cc1cc2ccnc(O)c2cc1C Amb18560324 [0,1,0,0,0,0|3,0,0]=4 618 B14R2.28472 Cc1cccc2c1C=C(F)C(=O)N2 Amb27771425 [0,1,0,0,0,0|2,0,0]=3 619 B14R2.28472 Cc1cccc2c1C=C(O)C(=O)N2 Amb22752608 [0,1,0,0,0,0|1,0,0]=2 620 B14R2.28472 Cc1cccc2c1NC(=O)C(F)=C2 Amb22547233 [0,1,0,0,0,0|2,0,0]=3 621 B14R2.28472 Cc1cccc2c1NC(=O)C(O)=C2 Amb22752607 [0,1,0,0,0,0|1,0,0]=2 622 B14R2.28472 Cc1cccc2c1NC(=O)C(O)C2 Amb28243418 [0,1,0,0,0,0|1,0,2]=4 623 B14R2.28472 Cc1cccc2c1OC(=O)C(N)=C2 Amb27165226 [0,1,0,0,0,0|3,0,0]=4 624 B14R2.28472 Cc1ccnc2c1C=C(Br)C(=O)N2 Amb32419009 [0,1,0,0,0,0|3,0,0]=4 625 B14R2.28472 Cc1nc2c(Br)cccc2cc1O Amb32455754 [0,1,0,0,0,0|2,0,1]=4 626 B14R2.28472 Cc1nc2c(C)cccc2cc1O Amb33133924 [0,1,0,0,0,0|2,0,1]=4 627 B14R2.28472 Cc1nc2c(Cl)cccc2cc1O Amb33134080 [0,1,0,0,0,0|2,0,1]=4 628 B14R2.28472 Cc1nc2c(F)cccc2cc1O Amb27210982 [0,1,0,0,0,0|2,0,1]=4 629 B14R2.28472 Cc1nc2cccc(Br)c2cc1O Amb33134016 [0,1,0,0,0,0|2,0,1]=4 630 B14R2.28472 Cc1nc2cccc(Cl)c2cc1O Amb33134140 [0,1,0,0,0,0|2,0,1]=4 631 B14R2.28472 Cc1nccc2c1C=C(Br)C(=O)N2 Amb21926812 [0,1,0,0,0,0|1,0,0]=2 632 B14R2.28472 Cc1nccc2c1C=C(I)C(=O)N2 Amb21927566 [0,1,0,0,0,0|1,0,0]=2 633 B14R2.28472 Cc1nccc2c1C=C(O)C(=O)N2 Amb27825947 [0,1,0,0,0,0|0,0,0]=1 634 B14R2.28472 Cc1nccc2nc(Cl)c(Br)cc12 Amb10974798 [0,1,0,0,0,0|2,0,1]=4 635 B14R2.28472 Cc1nccc2nc(Cl)c(I)cc12 Amb21929376 [0,1,0,0,0,0|2,0,1]=4 636 B14R2.28472 Clc1cc2ccnc(Cl)c2cc1Cl Amb23589144 [0,1,0,0,0,0|3,0,0]=4 637 B14R2.28472 Fc1cc2ccnc(Cl)c2cc1Cl Amb25783497 [0,1,0,0,0,0|3,0,0]=4 638 B14R2.28472 Fc1cc2ccnc(Cl)c2cc1F Amb28324204 [0,1,0,0,0,0|3,0,0]=4 639 B14R2.28472 NC1=CC2=C(C=CNC2=O)OC1=O Amb27608575 [0,1,0,0,0,0|2,0,1]=4 640 B14R2.28472 NC1=Cc2c(F)cccc2OC1=O Amb27242642 [0,1,0,0,0,0|3,0,0]=4 641 B14R2.28472 NC1=Cc2cccc(O)c2OC1=O Amb18127813 [0,1,0,0,0,0|3,0,0]=4 642 B14R2.28472 NC1=Nc2c(O)cccc2NC1=O Amb22001484 [0,1,0,0,0,0|3,0,0]=4 643 B14R2.28472 Nc1cc2ccnc(O)c2cc1F Amb27779630 [0,1,0,0,0,0|3,0,0]=4 644 B14R2.28472 Nc1cccc2c1C=C(O)C(=O)N2 Amb25123362 [0,1,0,0,0,0|1,0,0]=2 645 B14R2.28472 Nc1cccc2c1NC(=O)C(=O)N2 Amb19813318 [0,1,0,0,0,0|2,0,1]=4 646 B14R2.28472 Nc1nccc2cc(Cl)c(Cl)cc12 Amb23589140 [0,1,0,0,0,0|3,0,0]=4 647 B14R2.28472 O=C1NC2=C(NC1=O)C(=O)NC=C2 Amb27152299 [0,1,0,0,0,0|1,0,2]=4 648 B14R2.28472 O=C1NC=CC2=C1C=C(O)C(=O)O2 Amb28291020 [0,1,0,0,0,0|1,0,1]=3 649 B14R2.28472 O=C1NC=Cc2cc(O)c(O)cc21 Amb19100714 [0,1,0,0,0,0|1,0,2]=4 650 B14R2.28472 O=C1Nc2c(Br)cccc2C=C1F Amb22547234 [0,1,0,0,0,0|2,0,0]=3 651 B14R2.28472 O=C1Nc2c(Br)cccc2C=C1O Amb25800197 [0,1,0,0,0,0|1,0,0]=2 652 B14R2.28472 O=C1Nc2c(Cl)cccc2C=C1F Amb22547231 [0,1,0,0,0,0|2,0,0]=3 653 B14R2.28472 O=C1Nc2c(Cl)cncc2C=C1O Amb27442983 [0,1,0,0,0,0|0,0,0]=1 654 B14R2.28472 O=C1Nc2c(F)cccc2C=C1F Amb22547161 [0,1,0,0,0,0|2,0,0]=3 655 B14R2.28472 O=C1Nc2c(F)cccc2C=C1O Amb24697603 [0,1,0,0,0,0|1,0,0]=2 656 B14R2.28472 O=C1Nc2cccc(Br)c2C=C1O Amb26445096 [0,1,0,0,0,0|1,0,0]=2 657 B14R2.28472 O=C1Nc2cccc(Cl)c2C=C1F Amb27599995 [0,1,0,0,0,0|2,0,0]=3 658 B14R2.28472 O=C1Nc2cccc(F)c2C=C1F Amb27832552 [0,1,0,0,0,0|2,0,0]=3 659 B14R2.28472 O=C1Nc2cccc(F)c2C=C1O Amb28342551 [0,1,0,0,0,0|1,0,0]=2 660 B14R2.28472 O=C1Nc2cccc(F)c2CC1O Amb27415161 [0,1,0,0,0,0|1,0,2]=4 661 B14R2.28472 O=C1Nc2cccc(O)c2C=C1Br Amb21926742 [0,1,0,0,0,0|2,0,0]=3 662 B14R2.28472 O=C1Nc2cccc(O)c2NC1=O Amb22234954 [0,1,0,0,0,0|2,0,1]=4 663 B14R2.28472 O=C1Nc2cnc[n+]([O-])c2NC1=O Amb27799164 [0,1,0,0,0,0|2,0,1]=4 664 B14R2.28472 O=C1Nc2nccc(Br)c2C=C1O Amb27647706 [0,1,0,0,0,0|2,0,0]=3 665 B14R2.28472 O=C1Oc2c(O)cccc2C=C1O Amb26476553 [0,1,0,0,0,0|2,0,0]=3 666 B14R2.28472 Oc1cc2c(Cl)ncnc2cc1F Amb25724371 [0,1,0,0,0,0|3,0,0]=4 667 B14R2.28472 Oc1cc2c(F)cccc2nc1Cl Amb27817699 [0,1,0,0,0,0|2,0,1]=4 668 B14R2.28472 Oc1cc2cccc(O)c2cc1O Amb17594466 [0,1,0,0,0,0|2,0,1]=4 669 B14R2.28472 Oc1cc2ncnc(Cl)c2cc1O Amb24057474 [0,1,0,0,0,0|2,0,1]=4 670 B14R2.28472 Oc1nccc2cc(Cl)c(Cl)cc12 Amb23555763 [0,1,0,0,0,0|3,0,0]=4 671 B12R1.43 C=C(C)C(=O)Cc1ccncc1 Amb28369377 [0,0,1,0,0,0|2,0,0]=3 672 B12R1.43 C=C(C)C(=O)Nc1ccccc1 Amb6384289 [0,0,1,0,0,0|2,0,0]=3 673 B12R1.43 C=C(C)C(=O)Nc1ccncc1 Amb2613139 [0,0,1,0,0,0|1,0,0]=2 674 B12R1.43 C=C(C)C(=O)Oc1ccccc1 Amb8394675 [0,0,1,0,0,0|3,0,0]=4 675 B12R1.43 C=C(C)C(=S)Nc1ccccc1 Amb28243811 [0,0,1,0,0,0|2,1,0]=4 676 B12R1.43 C=C(Cc1cccnc1)C(=O)O Amb26636551 [0,0,1,0,0,0|2,0,1]=4 677 B12R1.43 C=C(Cc1ccncc1)C(=O)O Amb27389258 [0,0,1,0,0,0|3,0,0]=4 678 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 Amb27751263 [0,0,1,0,0,0|2,0,0]=3 679 B12R1.43 C=C(Cl)C(=O)Nc1cccnc1 Amb28197358 [0,0,1,0,0,0|3,0,0]=4 680 B12R1.43 CC(=O)C(=O)Cc1cccnc1 Amb24556780 [0,0,1,0,0,0|1,0,2]=4 681 B12R1.43 CC(=O)C(=O)Cc1ccncc1 Amb24555440 [0,0,1,0,0,0|1,0,2]=4 682 B12R1.43 CC(=O)C(=O)Nc1ccccc1 Amb2383839 [0,0,1,0,0,0|1,0,2]=4 683 B12R1.43 CC(=O)C(=O)Nc1cccnc1 Amb28319843 [0,0,1,0,0,0|2,0,1]=4 684 B12R1.43 CC(=O)\C(Br)=C\c1ccccc1 Amb17596166 [0,0,1,0,0,0|3,0,0]=4 685 B12R1.43 CC(=O)\C(C)=C\c1ccccc1 Amb17594004 [0,0,1,0,0,0|3,0,0]=4 686 B12R1.43 CC(=O)\C(C)=C\c1cccnc1 Amb25373091 [0,0,1,0,0,0|2,0,0]=3 687 B12R1.43 CC(=O)\C(C)=C\c1cnccn1 Amb35601037 [0,0,1,0,0,0|3,0,0]=4 688 B12R1.43 CC(Br)C(=O)Nc1ccncc1 Amb27587589 [0,0,1,0,0,0|1,0,2]=4 689 B12R1.43 CC(C)C(=O)Nc1ccncc1 Amb3357894 [0,0,1,0,0,0|1,0,2]=4 690 B12R1.43 CC(Cc1cccnc1)C(N)=O Amb28072992 [0,0,1,0,0,0|1,0,2]=4 691 B12R1.43 CC(Cl)C(=O)Nc1ccncc1 Amb1140684 [0,0,1,0,0,0|1,0,2]=4 692 B12R1.43 CC(N)C(=O)Nc1ccncc1 Amb18951602 [0,0,1,0,0,0|1,0,2]=4 693 B12R1.43 CC(Nc1cccnc1)C(N)=O Amb27831365 [0,0,1,0,0,0|2,0,1]=4 694 B12R1.43 CC(O)C(=O)Cc1ccncc1 Amb28313084 [0,0,1,0,0,0|1,0,2]=4 695 B12R1.43 CC(O)C(=O)Nc1ccccc1 Amb1230509 [0,0,1,0,0,0|1,0,2]=4 696 B12R1.43 CN(O)C(=O)Nc1ccccc1 Amb2691797 [0,0,1,0,0,0|2,0,1]=4 697 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 Amb27244706 [0,0,1,0,0,0|1,0,2]=4 698 B12R1.43 C\C(=C/c1ccccc1)C(=N)N Amb32952072 [0,0,1,0,0,0|3,0,0]=4 699 B12R1.43 C\C(=C/c1ccccc1)C(=O)Cl Amb24061289 [0,0,1,0,0,0|3,0,0]=4 700 B12R1.43 C\C(=C/c1ccccc1)C(=O)O Amb8513246 [0,0,1,0,0,0|3,0,0]=4 701 B12R1.43 C\C(=C/c1ccccc1)C(N)=S Amb33082670 [0,0,1,0,0,0|2,1,0]=4 702 B12R1.43 C\C(=C/c1cccnc1)C(=O)O Amb30584915 [0,0,1,0,0,0|2,0,0]=3 703 B12R1.43 C\C(=C/c1cccnc1)C(=O)O Amb5743927 [0,0,1,0,0,0|2,0,0]=3 704 B12R1.43 C\C(=C/c1ccncc1)C(=O)O Amb30584913 [0,0,1,0,0,0|3,0,0]=4 705 B12R1.43 C\C(=C/c1ccncc1)C(=O)O Amb5743928 [0,0,1,0,0,0|3,0,0]=4 706 B12R1.43 C\C(=C/c1cncnc1)C(=O)O Amb27755121 [0,0,1,0,0,0|3,0,0]=4 707 B12R1.43 C\C(=C\c1ccccc1)C(=O)O Amb24603461 [0,0,1,0,0,0|3,0,0]=4 708 B12R1.43 C\C(=C\c1ccccc1)C(N)=S Amb27466528 [0,0,1,0,0,0|2,1,0]=4 709 B12R1.43 C\C(=C\c1cccnc1)C(=O)O Amb27837141 [0,0,1,0,0,0|2,0,0]=3 710 B12R1.43 C\C(=C\c1cccnc1)[N+](=O)[O-] Amb25294704 [0,0,1,0,0,0|3,0,0]=4 711 B12R1.43 C\C(=C\c1ccncc1)C(=O)O Amb27882270 [0,0,1,0,0,0|3,0,0]=4 712 B12R1.43 C\C(=C\c1cnccn1)C(=O)O Amb27622051 [0,0,1,0,0,0|3,0,0]=4 713 B12R1.43 N=C(Nc1ccccc1)C(=O)O Amb18645991 [0,0,1,0,0,0|3,0,0]=4 714 B12R1.43 NC(=O)C(=O)Cc1ccccc1 Amb28119010 [0,0,1,0,0,0|1,0,2]=4 715 B12R1.43 NC(=O)C(=O)Nc1ccccc1 Amb1859924 [0,0,1,0,0,0|2,0,1]=4 716 B12R1.43 NC(=O)C(=O)Oc1ccccc1 Amb26619370 [0,0,1,0,0,0|2,0,1]=4 717 B12R1.43 NC(=O)C(=S)Nc1ccccc1 Amb6316935 [0,0,1,0,0,0|2,1,0]=4 718 B12R1.43 NC(=O)C(Cl)Cc1cccnc1 Amb27978950 [0,0,1,0,0,0|1,0,2]=4 719 B12R1.43 NC(=O)C(N)Cc1cccnc1 Amb26475758 [0,0,1,0,0,0|1,0,2]=4 720 B12R1.43 NC(=O)C(O)Cc1ccccc1 Amb18800896 [0,0,1,0,0,0|1,0,2]=4 721 B12R1.43 NC(=O)N(O)Cc1ccccc1 Amb27966850 [0,0,1,0,0,0|2,0,1]=4 722 B12R1.43 NC(=O)[C@@H](O)Cc1ccccc1 Amb26371653 [0,0,1,0,0,0|1,0,2]=4 723 B12R1.43 NC(=O)[C@H](O)Cc1ccccc1 Amb25359872 [0,0,1,0,0,0|1,0,2]=4 724 B12R1.43 NC(=O)\C(Cl)=C\c1ccccc1 Amb3724521 [0,0,1,0,0,0|2,0,0]=3 725 B12R1.43 N\C(=C/c1ccccc1)C(=O)O Amb24081025 [0,0,1,0,0,0|3,0,0]=4 726 B12R1.43 N\C(=C\c1ccccc1)C(=O)O Amb27148014 [0,0,1,0,0,0|3,0,0]=4 727 B12R1.43 N\C(=C\c1cnccn1)C(=O)O Amb27624449 [0,0,1,0,0,0|3,0,0]=4 728 B12R1.43 O=C(Cl)\C(F)=C/c1ccccc1 Amb27416385 [0,0,1,0,0,0|3,0,0]=4 729 B12R1.43 O=C(O)C(=O)Cc1ccccc1 Amb2718694 [0,0,1,0,0,0|3,0,0]=4 730 B12R1.43 O=C(O)C(=O)Cc1cccnc1 Amb17232515 [0,0,1,0,0,0|1,0,2]=4 731 B12R1.43 O=C(O)C(=O)Cc1ccncc1 Amb17477816 [0,0,1,0,0,0|2,0,0]=3 732 B12R1.43 O=C(O)C(=O)Cc1ccncn1 Amb27870498 [0,0,1,0,0,0|3,0,0]=4 733 B12R1.43 O=C(O)C(=O)Nc1ccccc1 Amb838962 [0,0,1,0,0,0|2,0,0]=3 734 B12R1.43 O=C(O)C(=O)Nc1ccccn1 Amb9303802 [0,0,1,0,0,0|3,0,0]=4 735 B12R1.43 O=C(O)C(=O)Nc1cccnc1 Amb9303807 [0,0,1,0,0,0|2,0,1]=4 736 B12R1.43 O=C(O)C(=O)Nc1ccncc1 Amb9303811 [0,0,1,0,0,0|1,0,0]=2 737 B12R1.43 O=C(O)C(=S)Nc1ccccc1 Amb10558556 [0,0,1,0,0,0|2,1,0]=4 738 B12R1.43 O=C(O)C(O)Cc1cccnc1 Amb2699798 [0,0,1,0,0,0|1,0,2]=4 739 B12R1.43 O=C(O)[C@@H](O)Cc1cccnc1 Amb27878615 [0,0,1,0,0,0|1,0,2]=4 740 B12R1.43 O=C(O)\C(Br)=C\c1ccccc1 Amb2794045 [0,0,1,0,0,0|3,0,0]=4 741 B12R1.43 O=C(O)\C(Cl)=C/c1ccccc1 Amb18648695 [0,0,1,0,0,0|3,0,0]=4 742 B12R1.43 O=C(O)\C(Cl)=C\c1ccccc1 Amb19651416 [0,0,1,0,0,0|3,0,0]=4 743 B12R1.43 O=C(O)\C(Cl)=C\c1cccnc1 Amb26448364 [0,0,1,0,0,0|2,0,0]=3 744 B12R1.43 O=C(O)\C(F)=C\c1ccccc1 Amb24093652 [0,0,1,0,0,0|3,0,0]=4 745 B12R1.43 O=C(O)\C(F)=C\c1cccnc1 Amb17614474 [0,0,1,0,0,0|2,0,0]=3 746 B12R1.43 O=C(O)\C(F)=C\c1cccnc1 Amb31339126 [0,0,1,0,0,0|2,0,0]=3 747 B12R1.43 O=C(O)\C(F)=C\c1cnccn1 Amb35600945 [0,0,1,0,0,0|3,0,0]=4 748 B12R1.43 O=C(O)\C(S)=C/c1ccccc1 Amb2550972 [0,0,1,0,0,0|2,1,0]=4 749 B12R1.43 O=C(O)\C(S)=C\c1ccccc1 Amb1250109 [0,0,1,0,0,0|2,1,0]=4 750 B12R1.43 O=C(O)\C(S)=C\c1ccncc1 Amb1761003 [0,0,1,0,0,0|2,1,0]=4 751 B12R1.169 C=CCc1ccccc1NC=O Amb27412358 [0,0,1,0,0,0|2,0,1]=4 752 B12R1.169 O=CNc1ccccc1CCO Amb28239664 [0,0,1,0,0,0|1,0,2]=4 753 B12R1.169 O=CNc1ccccc1\C=N\O Amb27865601 [0,0,1,0,0,0|2,0,0]=3 754 B12R1.169 O=CNc1ncccc1\C=N\O Amb28398080 [0,0,1,0,0,0|3,0,0]=4 755 B12R1.371 C#CC(=O)Nc1ccncc1C Amb27260155 [0,0,1,0,0,0|1,0,2]=4 756 B12R1.371 C#CC(=O)Nc1ccncc1F Amb35702212 [0,0,1,0,0,0|2,0,1]=4 757 B12R1.371 C=CC(=O)Nc1ccccc1C Amb6843670 [0,0,1,0,0,0|2,0,1]=4 758 B12R1.371 C=CC(=O)Nc1ccccc1Cl Amb6843675 [0,0,1,0,0,0|3,0,0]=4 759 B12R1.371 C=CC(=O)Nc1ccccc1F Amb6843680 [0,0,1,0,0,0|3,0,0]=4 760 B12R1.371 C=CC(=O)Nc1ccccc1I Amb9261228 [0,0,1,0,0,0|3,0,0]=4 761 B12R1.371 C=CC(=O)Nc1ccncc1F Amb27803592 [0,0,1,0,0,0|2,0,0]=3 762 B12R1.371 CCC(=O)Nc1ccncc1Cl Amb27833580 [0,0,1,0,0,0|2,0,1]=4 763 B12R1.371 COC(=O)Nc1ccncc1C Amb27260103 [0,0,1,0,0,0|2,0,1]=4 764 B12R1.371 COC(=O)Nc1ccncc1F Amb27841855 [0,0,1,0,0,0|3,0,0]=4 765 B12R1.371 COC(=O)Nc1ccncc1N Amb18967350 [0,0,1,0,0,0|3,0,0]=4 766 B12R1.371 C\C(C=O)=C/c1ccccc1C Amb17334495 [0,0,1,0,0,0|3,0,0]=4 767 B12R1.371 C\C(C=O)=C/c1ccccc1Cl Amb17335454 [0,0,1,0,0,0|3,0,0]=4 768 B12R1.371 C\C(C=O)=C/c1ccccc1F Amb17334598 [0,0,1,0,0,0|3,0,0]=4 769 B12R1.371 C\C(C=O)=C\c1ccccc1O Amb28457572 [0,0,1,0,0,0|3,0,0]=4 770 B12R1.371 Cc1ccccc1NC(=O)CO Amb1110662 [0,0,1,0,0,0|1,0,2]=4 771 B12R1.371 Cc1ccccc1NC(=O)NO Amb27614514 [0,0,1,0,0,0|2,0,1]=4 772 B12R1.371 Cc1ccccc1\C=C(/F)C=O Amb27851468 [0,0,1,0,0,0|3,0,0]=4 773 B12R1.371 Cc1cnccc1NC(=O)CBr Amb27392834 [0,0,1,0,0,0|1,0,2]=4 774 B12R1.371 Cc1cnccc1NC(=O)CCl Amb27831234 [0,0,1,0,0,0|1,0,2]=4 775 B12R1.371 Cc1cnccc1NC(=O)CN Amb27791613 [0,0,1,0,0,0|1,0,2]=4 776 B12R1.371 NCC(=O)Nc1ccncc1Br Amb28254729 [0,0,1,0,0,0|2,0,1]=4 777 B12R1.371 Nc1cncnc1NC(=O)CO Amb28370254 [0,0,1,0,0,0|2,0,1]=4 778 B12R1.371 O=C(CBr)Nc1ccncc1F Amb27471694 [0,0,1,0,0,0|2,0,1]=4 779 B12R1.371 O=C(CCl)Nc1ccncc1Br Amb7172738 [0,0,1,0,0,0|2,0,1]=4 780 B12R1.371 O=C(CCl)Nc1ccncc1O Amb27955177 [0,0,1,0,0,0|2,0,1]=4 781 B12R1.371 O=C(CO)Nc1ccccc1Br Amb1109988 [0,0,1,0,0,0|2,0,1]=4 782 B12R1.371 O=C(CO)Nc1ccccc1Cl Amb1111147 [0,0,1,0,0,0|2,0,1]=4 783 B12R1.371 O=C(CO)Nc1ccccc1F Amb1109775 [0,0,1,0,0,0|2,0,1]=4 784 B12R1.371 O=C(CO)Nc1ccccc1O Amb5798034 [0,0,1,0,0,0|2,0,1]=4 785 B12R1.371 O=C(NO)Nc1ccccc1Cl Amb4013619 [0,0,1,0,0,0|3,0,0]=4 786 B12R1.371 O=C(NO)Nc1ccccc1F Amb28040914 [0,0,1,0,0,0|3,0,0]=4 787 B14R3.5352 O=C1C(=O)C2=C1c3ccccc32 Amb27948619 [0,0,0,1,0,0|2,0,1]=4 788 B12R2.18 Brc1sc2ccncc2c1Br Amb2611704 [0,0,0,0,1,0|3,0,0]=4 789 B12R2.18 C=C1C(=O)Nc2ccccc21 Amb17779246 [0,0,0,0,1,0|2,0,0]=3 790 B12R2.18 C=C1Cc2ccccc2C1=O Amb18062660 [0,0,0,0,1,0|2,0,1]=4 791 B12R2.18 CC1C(=O)Nc2ccccc21 Amb2612193 [0,0,0,0,1,0|2,0,1]=4 792 B12R2.18 CN1C(=O)Cc2ccncc21 Amb22491400 [0,0,0,0,1,0|3,0,0]=4 793 B12R2.18 CN1C(=O)Nc2ccccc21 Amb18537193 [0,0,0,0,1,0|3,0,0]=4 794 B12R2.18 CN1C(=O)Nc2ncncc21 Amb24486109 [0,0,0,0,1,0|3,0,0]=4 795 B12R2.18 CN1Cc2cnccc2C1=O Amb28062941 [0,0,0,0,1,0|2,0,1]=4 796 B12R2.18 Cc1c(O)oc2ccccc12 Amb33310521 [0,0,0,0,1,0|3,0,0]=4 797 B12R2.18 Cc1oc2ccncc2c1Br Amb23591026 [0,0,0,0,1,0|3,0,0]=4 798 B12R2.18 Cc1sc2ccncc2c1Br Amb28369838 [0,0,0,0,1,0|3,0,0]=4 799 B12R2.18 Cc1sc2cnccc2c1Br Amb25984523 [0,0,0,0,1,0|3,0,0]=4 800 B12R2.18 Cc1sc2cnccc2c1N Amb22170236 [0,0,0,0,1,0|3,0,0]=4 801 B12R2.18 Cn1c(Br)cc2cnccc21 Amb18175875 [0,0,0,0,1,0|3,0,0]=4 802 B12R2.18 Cn1c(N)cc2cnccc21 Amb18202290 [0,0,0,0,1,0|3,0,0]=4 803 B12R2.18 Cn1c(O)cc2ccccc21 Amb3427957 [0,0,0,0,1,0|3,0,0]=4 804 B12R2.18 N=C1C(=O)Nc2ccccc21 Amb26318567 [0,0,0,0,1,0|2,0,0]=3 805 B12R2.18 NC1C(=O)Nc2ccccc21 Amb1154822 [0,0,0,0,1,0|2,0,1]=4 806 B12R2.18 NC1C(=O)Nc2ccccc21 Amb9745696 [0,0,0,0,1,0|2,0,1]=4 807 B12R2.18 O=C1C(=S)Nc2ccccc21 Amb17594053 [0,0,0,0,1,0|1,1,1]=4 808 B12R2.18 O=C1C(Cl)=Cc2ccccc21 Amb24736271 [0,0,0,0,1,0|2,0,0]=3 809 B12R2.18 O=C1C(Cl)=Nc2ccccc21 Amb17594117 [0,0,0,0,1,0|3,0,0]=4 810 B12R2.18 O=C1Cc2ccccc2C1=O Amb2694764 [0,0,0,0,1,0|1,0,2]=4 811 B12R2.18 O=C1Cc2ccccc2N1O Amb17940424 [0,0,0,0,1,0|3,0,0]=4 812 B12R2.18 O=C1Nc2ccccc2C1=O Amb2721711 [0,0,0,0,1,0|1,0,1]=3 813 B12R2.18 O=C1Nc2ccccc2C1=S Amb9803339 [0,0,0,0,1,0|1,1,0]=3 814 B12R2.18 O=C1Nc2ccccc2C1Br Amb2228105 [0,0,0,0,1,0|2,0,1]=4 815 B12R2.18 O=C1Nc2ccccc2C1Cl Amb27753977 [0,0,0,0,1,0|2,0,1]=4 816 B12R2.18 O=C1Nc2ccccc2C1F Amb32456094 [0,0,0,0,1,0|2,0,1]=4 817 B12R2.18 O=C1Nc2ccccc2C1O Amb9748239 [0,0,0,0,1,0|1,0,1]=3 818 B12R2.18 O=C1Nc2ccccc2C1S Amb32788888 [0,0,0,0,1,0|1,1,1]=4 819 B12R2.18 O=C1Nc2ccccc2N1O Amb26332921 [0,0,0,0,1,0|2,0,0]=3 820 B12R2.18 O=C1Nc2ncccc2C1=O Amb10976067 [0,0,0,0,1,0|2,0,1]=4 821 B12R2.18 O=C1Oc2ccccc2C1=O Amb9783305 [0,0,0,0,1,0|2,0,1]=4 822 B12R2.18 O=C1Sc2ccccc2C1=O Amb2608884 [0,0,0,0,1,0|2,0,1]=4 823 B12R2.18 O=C1Sc2ccccc2C1O Amb27636570 [0,0,0,0,1,0|2,0,1]=4 824 B12R2.18 O=C1c2ccccc2CC1O Amb25342077 [0,0,0,0,1,0|1,0,2]=4 825 B12R2.18 Oc1nc2cnccn2c1Br Amb27794473 [0,0,0,0,1,0|3,0,0]=4 826 B12R2.18 Oc1sc2ccccc2c1O Amb27966224 [0,0,0,0,1,0|2,0,1]=4 827 B12R2.100 CC1=Nc2cscc2NC1=O Amb28369344 [0,0,0,0,1,0|3,0,0]=4 828 B12R2.100 O=C1Nc2ccsc2NC1=O Amb24184104 [0,0,0,0,1,0|2,0,1]=4 829 B12R2.100 O=C1Nc2cnoc2C=C1O Amb27427257 [0,0,0,0,1,0|1,0,0]=2 830 B12R2.100 O=C1Nc2cocc2NC1=O Amb20664974 [0,0,0,0,1,0|2,0,1]=4 831 B12R2.100 O=C1Nc2cscc2NC1=O Amb27614352 [0,0,0,0,1,0|2,0,1]=4 832 B12R2.100 Oc1cc2ccoc2cc1O Amb26981330 [0,0,0,0,1,0|2,0,1]=4 833 B12R2.100 Oc1cc2nccn2cc1Br Amb27816747 [0,0,0,0,1,0|3,0,0]=4 834 B12R2.100 Oc1cc2occc2cc1Br Amb23568419 [0,0,0,0,1,0|3,0,0]=4 835 B12R2.100 Oc1cc2occc2cc1Cl Amb23568417 [0,0,0,0,1,0|3,0,0]=4 836 B14R2.738 CC1=CC(=O)Nc2ccccc2N1 Amb17912774 [0,0,0,0,0,1|3,0,0]=4 837 B14R2.738 CC1=CC(=O)Nc2ccncc2N1 Amb28411441 [0,0,0,0,0,1|2,0,0]=3 838 B14R2.738 CC1=Cc2ccccc2CC(=O)N1 Amb28146816 [0,0,0,0,0,1|3,0,0]=4 839 B14R2.738 CC1=Nc2ccccc2NC(=O)C1 Amb1396300 [0,0,0,0,0,1|3,0,0]=4 840 B14R2.738 CC1=Nc2cncnc2NC(=O)C1 Amb27949579 [0,0,0,0,0,1|3,0,0]=4 841 B14R2.738 CN1CC(=O)Nc2ccncc2C1 Amb27793466 [0,0,0,0,0,1|2,0,1]=4 842 B14R2.738 O=C1C=C(O)Nc2ccccc2O1 Amb27427124 [0,0,0,0,0,1|3,0,0]=4 843 B14R2.738 O=C1CC(=O)Nc2ccccc2N1 Amb1678046 [0,0,0,0,0,1|2,0,1]=4 844 B14R2.741 CC1=Cc2ccccc2C=CC1=O Amb21948167 [0,0,0,0,0,1|3,0,0]=4 845 B14R2.741 CC1=Nc2ccccc2CNC1=O Amb27628340 [0,0,0,0,0,1|3,0,0]=4 846 B14R2.741 CC1CNc2cnccc2NC1=O Amb27147156 [0,0,0,0,0,1|1,0,2]=4 847 B14R2.741 CC1CSc2cnccc2NC1=O Amb27171198 [0,0,0,0,0,1|1,0,2]=4 848 B14R2.741 CC1N=Cc2ccccc2NC1=O Amb27882750 [0,0,0,0,0,1|2,0,1]=4 849 B14R2.741 CN1N=Cc2ccccc2NC1=O Amb28325892 [0,0,0,0,0,1|3,0,0]=4 850 B14R2.741 NC1=CCc2ccccc2NC1=O Amb27411952 [0,0,0,0,0,1|2,0,0]=3 851 B14R2.741 O=C1C=C2C=CC=CC2=CC=C1O Amb26365142 [0,0,0,0,0,1|2,0,0]=3 852 B14R2.741 O=C1C=Cc2cccnc2C=C1O Amb27267189 [0,0,0,0,0,1|3,0,0]=4 853 B14R2.741 O=C1N=C2C=CC=CC2=CC=C1I Amb20240863 [0,0,0,0,0,1|2,0,1]=4 854 B14R2.741 O=C1Nc2ccccc2CCC1O Amb25226835 [0,0,0,0,0,1|1,0,2]=4 855 B14R2.741 O=C1Nc2ccccc2CC[C@H]1O Amb28340942 [0,0,0,0,0,1|1,0,2]=4 856 B14R2.7726 O=C1C=C2C=CC=CC=C2C=C1O Amb28253719 [0,0,0,0,0,1|2,0,0]=3 857 B11R1.40 C#CC(=O)Nc1ccncc1 Amb28043696 [1,0,1,0,0,0|0,0,2]=4 858 B11R1.40 C=CC(=O)Cc1ccccc1 Amb25353450 [1,0,1,0,0,0|2,0,0]=4 859 B11R1.40 C=CC(=O)Cc1ccncc1 Amb27389580 [1,0,1,0,0,0|1,0,0]=3 860 B11R1.40 C=CC(=O)Nc1ccccc1 Amb6843666 [1,0,1,0,0,0|1,0,0]=3 861 B11R1.40 C=CC(=O)Nc1ccccn1 Amb33532236 [1,0,1,0,0,0|2,0,0]=4 862 B11R1.40 C=CC(=O)Nc1cccnc1 Amb33532237 [1,0,1,0,0,0|2,0,0]=4 863 B11R1.40 C=CC(=O)Nc1ccncc1 Amb9480418 [1,0,1,0,0,0|0,0,0]=2 864 B11R1.40 C=C\C(C)=C\c1cccnc1 Amb24085616 [1,0,1,0,0,0|2,0,0]=4 865 B11R1.40 C=C\C(C)=C\c1ccncc1 Amb24103157 [1,0,1,0,0,0|2,0,0]=4 866 B11R1.40 COC(=O)Nc1ccncc1 Amb8439516 [1,0,1,0,0,0|1,0,1]=4 867 B11R1.40 C\C(=C\c1cccnc1)CN Amb27480311 [1,0,1,0,0,0|1,0,1]=4 868 B11R1.40 C\C(C=O)=C/c1ccccc1 Amb6608709 [1,0,1,0,0,0|2,0,0]=4 869 B11R1.40 C\C(C=O)=C/c1cccnc1 Amb17334266 [1,0,1,0,0,0|1,0,0]=3 870 B11R1.40 C\C(C=O)=C/c1cncnc1 Amb28058466 [1,0,1,0,0,0|2,0,0]=4 871 B11R1.40 C\C(C=O)=C\c1cccnc1 Amb28070736 [1,0,1,0,0,0|1,0,0]=3 872 B11R1.40 NCC(=O)Nc1ccncc1 Amb8480235 [1,0,1,0,0,0|1,0,1]=4 873 B11R1.40 NNC(=O)Nc1ccncc1 Amb25148277 [1,0,1,0,0,0|2,0,0]=4 874 B11R1.40 O=C(CCl)Nc1ccncc1 Amb1124841 [1,0,1,0,0,0|1,0,1]=4 875 B11R1.40 O=C(CCl)Nc1ccncc1 Amb20623041 [1,0,1,0,0,0|1,0,1]=4 876 B11R1.40 O=C(CO)Nc1ccccc1 Amb1110212 [1,0,1,0,0,0|1,0,1]=4 877 B11R1.40 O=C(CO)Nc1ccncc1 Amb5798135 [1,0,1,0,0,0|0,0,1]=3 878 B11R1.40 O=C(NO)Nc1ccccc1 Amb2746999 [1,0,1,0,0,0|2,0,0]=4 879 B11R1.40 O=CC(=O)Nc1ccccc1 Amb27643437 [1,0,1,0,0,0|1,0,1]=4 880 B11R1.40 O=C\C(Br)=C/c1ccccc1 Amb25047719 [1,0,1,0,0,0|2,0,0]=4 881 B11R1.40 O=C\C(Br)=C\c1ccccc1 Amb6608679 [1,0,1,0,0,0|2,0,0]=4 882 B11R1.40 O=C\C(Cl)=C/c1ccccc1 Amb6297306 [1,0,1,0,0,0|2,0,0]=4 883 B11R1.40 O=C\C(Cl)=C\c1ccccc1 Amb2792752 [1,0,1,0,0,0|2,0,0]=4 884 B11R1.40 O=C\C(O)=C\c1ccccc1 Amb18124881 [1,0,1,0,0,0|1,0,0]=3 885 B11R1.91 CC(=O)\C=C\c1ccccc1 Amb1658842 [1,0,1,0,0,0|2,0,0]=4 886 B11R1.91 CC(=O)\C=C\c1ccccc1 Amb33716963 [1,0,1,0,0,0|2,0,0]=4 887 B11R1.91 CC(=O)\C=C\c1cccnc1 Amb33223775 [1,0,1,0,0,0|1,0,0]=3 888 B11R1.91 CC(=O)\C=C\c1cnccn1 Amb35601036 [1,0,1,0,0,0|2,0,0]=4 889 B11R1.91 CC(=O)\C=C\c1cncnc1 Amb32876838 [1,0,1,0,0,0|2,0,0]=4 890 B11R1.91 CC(N)\C=C\c1cccnc1 Amb33172475 [1,0,1,0,0,0|1,0,1]=4 891 B11R1.91 N=C(N)\C=C\c1ccccc1 Amb22756994 [1,0,1,0,0,0|2,0,0]=4 892 B11R1.91 N=C(N)\C=C\c1cccnc1 Amb25992761 [1,0,1,0,0,0|1,0,0]=3 893 B11R1.91 NC(=O)C#Cc1cccnc1 Amb28046809 [1,0,1,0,0,0|0,0,2]=4 894 B11R1.91 NC(=O)CNc1cccnc1 Amb27482670 [1,0,1,0,0,0|1,0,1]=4 895 B11R1.91 NC(=O)COc1cccnc1 Amb6739850 [1,0,1,0,0,0|1,0,1]=4 896 B11R1.91 NC(=O)NCc1cccnc1 Amb2435041 [1,0,1,0,0,0|1,0,1]=4 897 B11R1.91 NC(=O)OCc1cccnc1 Amb26464124 [1,0,1,0,0,0|1,0,1]=4 898 B11R1.91 NC(=O)\C=C/c1ccccc1 Amb4420621 [1,0,1,0,0,0|1,0,0]=3 899 B11R1.91 NC(=O)\C=C/c1cccnc1 Amb10552966 [1,0,1,0,0,0|0,0,0]=2 900 B11R1.91 NC(=O)\C=C\c1ccccc1 Amb33719420 [1,0,1,0,0,0|1,0,0]=3 901 B11R1.91 NC(=O)\C=C\c1ccccc1 Amb8513084 [1,0,1,0,0,0|1,0,0]=3 902 B11R1.91 NC(=O)\C=C\c1ccccn1 Amb25887084 [1,0,1,0,0,0|2,0,0]=4 903 B11R1.91 NC(=O)\C=C\c1cccnc1 Amb33854872 [1,0,1,0,0,0|0,0,0]=2 904 B11R1.91 NC(=O)\C=C\c1ccncc1 Amb26859260 [1,0,1,0,0,0|2,0,0]=4 905 B11R1.91 NC(=O)\N=C\c1ccccc1 Amb28364091 [1,0,1,0,0,0|2,0,0]=4 906 B11R1.91 NC(=S)\C=C\c1ccccc1 Amb18105844 [1,0,1,0,0,0|1,1,0]=4 907 B11R1.91 NC(=S)\C=C\c1cccnc1 Amb27232946 [1,0,1,0,0,0|0,1,0]=3 908 B11R1.91 O=C(Cl)\C=C\c1ccccc1 Amb2792900 [1,0,1,0,0,0|2,0,0]=4 909 B11R1.91 O=C(Cl)\C=C\c1cccnc1 Amb6307270 [1,0,1,0,0,0|1,0,0]=3 910 B11R1.91 O=C(O)CNc1ccncc1 Amb33549238 [1,0,1,0,0,0|1,0,1]=4 911 B11R1.91 O=C(O)CNc1ccncc1 Amb6271127 [1,0,1,0,0,0|1,0,1]=4 912 B11R1.91 O=C(O)\C=C/c1ccccc1 Amb26880208 [1,0,1,0,0,0|2,0,0]=4 913 B11R1.91 O=C(O)\C=C/c1cccnc1 Amb25378742 [1,0,1,0,0,0|1,0,0]=3 914 B11R1.91 O=C(O)\C=C/c1ccncc1 Amb20622011 [1,0,1,0,0,0|2,0,0]=4 915 B11R1.91 O=C(O)\C=C/c1cncnc1 Amb27975406 [1,0,1,0,0,0|2,0,0]=4 916 B11R1.91 O=C(O)\C=C\c1ccccc1 Amb33719192 [1,0,1,0,0,0|2,0,0]=4 917 B11R1.91 O=C(O)\C=C\c1ccccc1 Amb6456608 [1,0,1,0,0,0|2,0,0]=4 918 B11R1.91 O=C(O)\C=C\c1cccnc1 Amb2690433 [1,0,1,0,0,0|1,0,0]=3 919 B11R1.91 O=C(O)\C=C\c1cccnc1 Amb33718815 [1,0,1,0,0,0|1,0,0]=3 920 B11R1.91 O=C(O)\C=C\c1cccnn1 Amb18125070 [1,0,1,0,0,0|2,0,0]=4 921 B11R1.91 O=C(O)\C=C\c1ccncc1 Amb1107607 [1,0,1,0,0,0|2,0,0]=4 922 B11R1.91 O=C(O)\C=C\c1ccnnc1 Amb18125071 [1,0,1,0,0,0|2,0,0]=4 923 B11R1.91 O=C(O)\C=C\c1cnccn1 Amb24082749 [1,0,1,0,0,0|2,0,0]=4 924 B11R1.91 O=C(O)\C=C\c1cncnc1 Amb9780324 [1,0,1,0,0,0|2,0,0]=4 925 B11R1.91 O=C([O-])\C=C\c1ccccc1 Amb33513073 [1,0,1,0,0,0|2,0,0]=4 926 B11R1.91 O=C([O-])\C=C\c1ccccc1 Amb6383246 [1,0,1,0,0,0|2,0,0]=4 927 B11R1.91 O=C([O-])\C=C\c1cccnc1 Amb33512942 [1,0,1,0,0,0|1,0,0]=3 928 B11R1.91 O=[N+]([O-])\C=C\c1cccnc1 Amb19515469 [1,0,1,0,0,0|2,0,0]=4 929 B11R1.91 O=[N+]([O-])\C=C\c1cccnc1 Amb33512945 [1,0,1,0,0,0|2,0,0]=4 930 B11R1.101 O=C1C=CC=CC=CC=CC1 Amb26062133 [1,0,1,0,0,0|2,0,0]=4 931 B11R1.41 C=Cc1ccccc1NC=O Amb27856053 [1,0,1,0,0,0|1,0,0]=3 932 B11R1.41 CNc1cnccc1NC=O Amb27794579 [1,0,1,0,0,0|1,0,1]=4 933 B11R1.41 O=CNc1ccncc1C=O Amb27229830 [1,0,1,0,0,0|0,0,1]=3 934 B11R1.41 O=CNc1cnccc1C=O Amb27623279 [1,0,1,0,0,0|1,0,1]=4 935 B11R1.17 Cc1ccccc1\C=C\C=O Amb17232007 [1,0,1,0,0,0|2,0,0]=4 936 B11R1.17 Cc1ccncc1\C=C\C=O Amb32953945 [1,0,1,0,0,0|1,0,0]=3 937 B11R1.17 Cc1ncncc1\C=C\C=O Amb33149152 [1,0,1,0,0,0|2,0,0]=4 938 B11R1.17 Nc1ccccc1\C=C\C=O Amb24538270 [1,0,1,0,0,0|1,0,0]=3 939 B11R1.17 Nc1ccncc1\N=C\C=O Amb26637985 [1,0,1,0,0,0|1,0,0]=3 940 B11R1.17 O=C\C=C\c1ccccc1Br Amb17240825 [1,0,1,0,0,0|2,0,0]=4 941 B11R1.17 O=C\C=C\c1ccccc1Cl Amb17232625 [1,0,1,0,0,0|2,0,0]=4 942 B11R1.17 O=C\C=C\c1ccccc1F Amb17232062 [1,0,1,0,0,0|2,0,0]=4 943 B11R1.17 O=C\C=C\c1ccccc1O Amb842565 [1,0,1,0,0,0|2,0,0]=4 944 B11R1.17 O=C\C=C\c1ccccc1S Amb28422741 [1,0,1,0,0,0|2,0,0]=4 945 B11R1.86 C=C(C)Cc1cnccc1N Amb27245483 [1,0,1,0,0,0|1,0,1]=4 946 B11R1.86 CC(=O)Nc1ccncc1Br Amb6752536 [1,0,1,0,0,0|1,0,1]=4 947 B11R1.86 CC(=O)Nc1ccncc1C Amb20248230 [1,0,1,0,0,0|0,0,2]=4 948 B11R1.86 CC(=O)Nc1ccncc1I Amb28454772 [1,0,1,0,0,0|1,0,1]=4 949 B11R1.86 CC(=O)Nc1ccncc1N Amb16230402 [1,0,1,0,0,0|1,0,1]=4 950 B11R1.86 CC(=O)Nc1ccncc1O Amb13889918 [1,0,1,0,0,0|1,0,1]=4 951 B11R1.86 CC(=O)Nc1ccncc1S Amb27762378 [1,0,1,0,0,0|1,0,1]=4 952 B11R1.86 CC(=O)Nc1cnccc1N Amb20247153 [1,0,1,0,0,0|2,0,0]=4 953 B11R1.86 CC(=O)Nc1cnccc1N Amb24083708 [1,0,1,0,0,0|2,0,0]=4 954 B11R1.86 Cc1ccncc1CC(=O)O Amb18201752 [1,0,1,0,0,0|1,0,1]=4 955 B11R1.86 Cc1ccncc1CC(=O)O Amb32666498 [1,0,1,0,0,0|1,0,1]=4 956 B11R1.86 Cc1cnccc1CC(=O)O Amb33249640 [1,0,1,0,0,0|1,0,1]=4 957 B11R1.86 NC(=O)Nc1ccncc1F Amb27404123 [1,0,1,0,0,0|2,0,0]=4 958 B11R1.86 Nc1ccccc1CC(=O)O Amb5519014 [1,0,1,0,0,0|1,0,1]=4 959 B11R1.86 Nc1ncncc1CC(=O)O Amb18201153 [1,0,1,0,0,0|1,0,1]=4 960 B11R1.86 O=C(O)Cc1ccncc1Br Amb23586154 [1,0,1,0,0,0|2,0,0]=4 961 B11R1.86 O=C(O)Cc1ccncc1Cl Amb18198379 [1,0,1,0,0,0|2,0,0]=4 962 B11R1.86 O=C(O)Cc1ccncc1Cl Amb28872303 [1,0,1,0,0,0|2,0,0]=4 963 B11R1.86 O=C(O)Cc1ccncc1F Amb24379723 [1,0,1,0,0,0|2,0,0]=4 964 B11R1.86 O=C(O)Cc1cnccc1Cl Amb18198378 [1,0,1,0,0,0|1,0,1]=4 965 B11R1.86 O=C(O)Cc1cnccc1Cl Amb28872302 [1,0,1,0,0,0|1,0,1]=4 966 B11R1.86 O=C(O)Cc1cnccc1O Amb33547475 [1,0,1,0,0,0|1,0,1]=4 967 B11R1.37 C=Cc1ccc(O)cc1C=O Amb26343785 [1,0,1,0,0,0|2,0,0]=4 968 B11R2.20 C1=CNC2=CSN=CC2=C1 Amb25943274 [2,0,0,0,0,0|1,0,0]=3 969 B11R2.20 C1=CNc2ccncc2C1 Amb25933564 [2,0,0,0,0,0|0,0,1]=3 970 B11R2.20 C1=CNc2ncncc2N1 Amb27614413 [2,0,0,0,0,0|2,0,0]=4 971 B11R2.20 C1=COc2ccccc2N1 Amb27828258 [2,0,0,0,0,0|2,0,0]=4 972 B11R2.20 C1=COc2ccncc2C1 Amb28050276 [2,0,0,0,0,0|1,0,1]=4 973 B11R2.20 C1=Cc2ccccc2NC1 Amb17593383 [2,0,0,0,0,0|1,0,1]=4 974 B11R2.20 C1=NC=C2C=NOC=C2N1 Amb24407229 [2,0,0,0,0,0|2,0,0]=4 975 B11R2.20 c1cc2ccncc2cn1 Amb20240662 [2,0,0,0,0,0|2,0,0]=4 976 B11R2.20 c1cc2ccncc2cn1 Amb33456122 [2,0,0,0,0,0|2,0,0]=4 977 B11R2.20 c1cc2cnccc2cn1 Amb10573720 [2,0,0,0,0,0|2,0,0]=4 978 B11R2.20 c1cc2nccnc2cn1 Amb8438986 [2,0,0,0,0,0|1,0,1]=4 979 B11R2.20 c1ccc2[nH+]cccc2c1 Amb10839799 [2,0,0,0,0,0|1,0,1]=4 980 B11R2.20 c1ccc2ccccc2c1 Amb6608803 [2,0,0,0,0,0|2,0,0]=4 981 B11R2.20 c1ccc2cnccc2c1 Amb2609970 [2,0,0,0,0,0|1,0,0]=3 982 B11R2.20 c1ccc2cnncc2c1 Amb10552942 [2,0,0,0,0,0|2,0,0]=4 983 B11R2.20 c1ccc2cnncc2c1 Amb8384453 [2,0,0,0,0,0|2,0,0]=4 984 B11R2.20 c1ccc2ncccc2c1 Amb22002632 [2,0,0,0,0,0|1,0,1]=4 985 B11R2.20 c1ccc2ncccc2c1 Amb2610545 [2,0,0,0,0,0|1,0,1]=4 986 B11R2.20 c1ccc2ncncc2c1 Amb2609962 [2,0,0,0,0,0|2,0,0]=4 987 B11R2.20 c1ccc2nnccc2c1 Amb21858429 [2,0,0,0,0,0|2,0,0]=4 988 B11R2.20 c1ccc2nnccc2c1 Amb22001549 [2,0,0,0,0,0|2,0,0]=4 989 B11R2.20 c1cnc2ccncc2c1 Amb6565155 [2,0,0,0,0,0|0,0,1]=3 990 B11R2.20 c1cnc2ccnnc2c1 Amb27470418 [2,0,0,0,0,0|1,0,1]=4 991 B11R2.20 c1cnc2cnccc2c1 Amb4560929 [2,0,0,0,0,0|2,0,0]=4 992 B13R1.133 C=C(C)C(=O)Nc1ccc(Br)cc1 Amb22001452 [0,1,1,0,0,0|2,0,0]=4 993 B13R1.133 C=C(C)C(=O)Nc1ccc(C)cc1 Amb2410051 [0,1,1,0,0,0|2,0,0]=4 994 B13R1.133 C=C(C)C(=O)Nc1ccc(Cl)cc1 Amb2406800 [0,1,1,0,0,0|2,0,0]=4 995 B13R1.133 C=C(C)C(=O)Nc1ccc(F)cc1 Amb28255752 [0,1,1,0,0,0|2,0,0]=4 996 B13R1.133 C=C(Cl)C(=O)Nc1ccc(Br)cc1 Amb22460391 [0,1,1,0,0,0|2,0,0]=4 997 B13R1.133 C=C(Cl)C(=O)Nc1ccc(C)cc1 Amb22460375 [0,1,1,0,0,0|2,0,0]=4 998 B13R1.133 C=C(Cl)C(=O)Nc1ccc(Cl)cc1 Amb2444521 [0,1,1,0,0,0|2,0,0]=4 999 B13R1.133 C=C(Cl)C(=O)Nc1ccc(F)cc1 Amb27959929 [0,1,1,0,0,0|2,0,0]=4 1000 B13R1.133 C=C(Cl)C(=O)Nc1ccc(I)cc1 Amb22460397 [0,1,1,0,0,0|2,0,0]=4 1001 B13R1.133 CC(=O)\C(C)=C\c1ccc(C)nc1 Amb28388249 [0,1,1,0,0,0|2,0,0]=4 1002 B13R1.133 C\C(=C/c1ccc(C)nc1)C(=O)O Amb27165831 [0,1,1,0,0,0|2,0,0]=4 1003 B13R1.133 C\C(=C\c1ccc(C)nc1)C(=O)O Amb27597711 [0,1,1,0,0,0|2,0,0]=4 1004 B13R1.133 C\C(=C\c1ccc(N)nc1)C(=O)O Amb27637678 [0,1,1,0,0,0|2,0,0]=4 1005 B13R1.133 Cc1ccc(NC(=O)C(=O)O)cc1 Amb838974 [0,1,1,0,0,0|2,0,0]=4 1006 B13R1.133 NC(=O)C(=O)Nc1ccc(F)nc1 Amb28457996 [0,1,1,0,0,0|1,0,1]=4 1007 B13R1.133 Nc1ccc(NC(=O)C(=O)O)cc1 Amb1348301 [0,1,1,0,0,0|2,0,0]=4 1008 B13R1.133 O=C(O)C(=O)Nc1ccc(Br)cc1 Amb838965 [0,1,1,0,0,0|2,0,0]=4 1009 B13R1.133 O=C(O)C(=O)Nc1ccc(Cl)cc1 Amb2371148 [0,1,1,0,0,0|2,0,0]=4 1010 B13R1.133 O=C(O)C(=O)Nc1ccc(F)cc1 Amb9303980 [0,1,1,0,0,0|2,0,0]=4 1011 B13R1.133 O=C(O)C(=O)Nc1ccc(I)cc1 Amb9303921 [0,1,1,0,0,0|2,0,0]=4 1012 B13R1.133 O=C(O)\C(O)=C\c1ccc(F)cc1 Amb22549399 [0,1,1,0,0,0|2,0,0]=4 1013 B13R1.135 C=C(CN)C(=O)Nc1ccccc1 Amb27403619 [0,1,1,0,0,0|2,0,0]=4 1014 B13R1.135 C=C(CO)C(=O)Nc1ccccc1 Amb27653164 [0,1,1,0,0,0|1,0,0]=3 1015 B13R1.135 C=C(CO)C(=O)Nc1cccnc1 Amb27979930 [0,1,1,0,0,0|2,0,0]=4 1016 B13R1.135 C=C(SC)C(=O)Nc1ccccc1 Amb27797309 [0,1,1,0,0,0|1,1,0]=4 1017 B13R1.135 CCC(=O)\C(C)=C\c1cccnc1 Amb24633428 [0,1,1,0,0,0|2,0,0]=4 1018 B13R1.135 CCC(O)C(=O)Nc1ccncc1 Amb25686819 [0,1,1,0,0,0|0,0,2]=4 1019 B13R1.135 CNC(=O)\C(C)=C\c1ccccc1 Amb3447584 [0,1,1,0,0,0|2,0,0]=4 1020 B13R1.135 COC(=O)C(=O)Cc1ccncc1 Amb17138898 [0,1,1,0,0,0|2,0,0]=4 1021 B13R1.135 COC(=O)C(=O)Nc1ccncc1 Amb27625625 [0,1,1,0,0,0|1,0,0]=3 1022 B13R1.135 C\C(=C/c1ccccc1)C(=O)CN Amb33476121 [0,1,1,0,0,0|2,0,0]=4 1023 B13R1.135 C\C=C(\C)C(=O)Nc1ccccc1 Amb27604243 [0,1,1,0,0,0|2,0,0]=4 1024 B13R1.135 NNC(=O)C(=O)Nc1ccncc1 Amb27849792 [0,1,1,0,0,0|1,0,1]=4 1025 B13R1.135 NNC(=O)\C(F)=C\c1ccccc1 Amb27833930 [0,1,1,0,0,0|2,0,0]=4 1026 B13R1.135 O=C(NO)C(=O)Nc1ccccc1 Amb27439064 [0,1,1,0,0,0|2,0,0]=4 1027 B13R1.135 O=C(Nc1ccccc1)\C(Cl)=C/O Amb27755040 [0,1,1,0,0,0|2,0,0]=4 1028 B13R1.135 O=C(Nc1ccccc1)\C(Cl)=N/O Amb27473306 [0,1,1,0,0,0|2,0,0]=4 1029 B13R1.135 O=C(Nc1ccccc1)\C(Cl)=N\O Amb5720077 [0,1,1,0,0,0|2,0,0]=4 1030 B13R1.148 C=C(C)C(=O)Cc1ccnc(N)c1 Amb27489553 [0,1,1,0,0,0|2,0,0]=4 1031 B13R1.148 C=C(C)C(=O)Nc1cccc(N)c1 Amb28137733 [0,1,1,0,0,0|2,0,0]=4 1032 B13R1.148 C=C(Cl)C(=O)Nc1cccc(Br)c1 Amb27868861 [0,1,1,0,0,0|2,0,0]=4 1033 B13R1.148 C=C(Cl)C(=O)Nc1cccc(I)c1 Amb27845250 [0,1,1,0,0,0|2,0,0]=4 1034 B13R1.148 C=C(Cl)C(=O)Nc1cccc(O)c1 Amb27880021 [0,1,1,0,0,0|2,0,0]=4 1035 B13R1.148 CC(=O)C(=O)Nc1ccnc(Br)c1 Amb26881891 [0,1,1,0,0,0|0,0,2]=4 1036 B13R1.148 Cc1cc(CC(=O)C(=O)O)ccn1 Amb33268223 [0,1,1,0,0,0|2,0,0]=4 1037 B13R1.148 Cc1cccc(NC(=O)C(=O)O)c1 Amb838988 [0,1,1,0,0,0|2,0,0]=4 1038 B13R1.148 NC(=O)C(=O)Nc1cncc(Br)c1 Amb27598101 [0,1,1,0,0,0|1,0,1]=4 1039 B13R1.148 O=C(O)C(=O)Nc1cccc(Br)c1 Amb838964 [0,1,1,0,0,0|2,0,0]=4 1040 B13R1.148 O=C(O)C(=O)Nc1cccc(Cl)c1 Amb838963 [0,1,1,0,0,0|2,0,0]=4 1041 B13R1.148 O=C(O)C(=O)Nc1cccc(F)c1 Amb9303976 [0,1,1,0,0,0|2,0,0]=4 1042 B13R1.152 C=C(C)C(=O)N(N)c1ccccc1 Amb33191329 [0,1,1,0,0,0|2,0,0]=4 1043 B13R1.152 C=C(Cl)C(=O)N(C)c1ccccc1 Amb27436283 [0,1,1,0,0,0|2,0,0]=4 1044 B13R1.152 CN(C(=O)C(=O)O)c1ccccc1 Amb9303801 [0,1,1,0,0,0|2,0,0]=4 1045 B13R1.152 NC(=O)N(N)C(=O)c1cccnc1 Amb28132446 [0,1,1,0,0,0|2,0,0]=4 1046 B13R1.152 O=C(O)C(=O)C(=O)c1cccnc1 Amb31096955 [0,1,1,0,0,0|1,0,1]=4 1047 B13R1.152 O=C(O)C(=O)C(=O)c1ccncc1 Amb31096956 [0,1,1,0,0,0|2,0,0]=4 1048 B13R1.202 C=C(C)C(=O)Cc1ccncc1Cl Amb27168353 [0,1,1,0,0,0|2,0,0]=4 1049 B13R1.202 C=C(C)C(=O)Nc1ccccc1Cl Amb28046252 [0,1,1,0,0,0|2,0,0]=4 1050 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1C Amb27620885 [0,1,1,0,0,0|2,0,0]=4 1051 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1Cl Amb22460395 [0,1,1,0,0,0|2,0,0]=4 1052 B13R1.202 C=C(Cl)C(=O)Nc1ccncc1C Amb27959899 [0,1,1,0,0,0|1,0,0]=3 1053 B13R1.202 C=C(Cl)C(=O)Nc1ccncc1F Amb27620893 [0,1,1,0,0,0|1,0,0]=3 1054 B13R1.202 CC(=O)\C(C)=C\c1cnccc1C Amb27610193 [0,1,1,0,0,0|2,0,0]=4 1055 B13R1.202 C[C@@H](O)C(=O)Nc1ccncc1I Amb27836506 [0,1,1,0,0,0|0,0,2]=4 1056 B13R1.202 Cc1ccccc1NC(=O)C(=O)O Amb838973 [0,1,1,0,0,0|2,0,0]=4 1057 B13R1.202 Cc1ccncc1\C=C(\N)C(=O)O Amb27664554 [0,1,1,0,0,0|2,0,0]=4 1058 B13R1.202 Cc1cnccc1CC(=O)C(=O)O Amb33414514 [0,1,1,0,0,0|2,0,0]=4 1059 B13R1.202 NC(=O)C(=O)Nc1cccnc1Br Amb28047940 [0,1,1,0,0,0|1,0,1]=4 1060 B13R1.202 NC(=O)C(=O)Nc1cccnc1Cl Amb27977383 [0,1,1,0,0,0|1,0,1]=4 1061 B13R1.202 O=C(O)C(=O)Cc1ccncc1Br Amb33385815 [0,1,1,0,0,0|2,0,0]=4 1062 B13R1.202 O=C(O)C(=O)Cc1ccncc1Cl Amb28196929 [0,1,1,0,0,0|2,0,0]=4 1063 B13R1.202 O=C(O)C(=O)Cc1ccncc1F Amb33317723 [0,1,1,0,0,0|2,0,0]=4 1064 B13R1.202 O=C(O)C(=O)Nc1ccccc1Br Amb9238892 [0,1,1,0,0,0|2,0,0]=4 1065 B13R1.202 O=C(O)C(=O)Nc1ccccc1Cl Amb9303981 [0,1,1,0,0,0|2,0,0]=4 1066 B13R1.202 O=C(O)C(=O)Nc1ccccc1F Amb9303984 [0,1,1,0,0,0|2,0,0]=4 1067 B13R1.202 O=C(O)C(=O)Nc1ccccc1O Amb18128783 [0,1,1,0,0,0|2,0,0]=4 1068 B13R1.418 CC\C(=C/c1cccnc1)C(=O)O Amb5743951 [0,1,1,0,0,0|2,0,0]=4 1069 B13R1.418 CC\C(=C\c1cccnc1)C(=O)O Amb28321006 [0,1,1,0,0,0|2,0,0]=4 1070 B13R1.418 CC\C(=C\c1cccnc1)C(C)=O Amb27844143 [0,1,1,0,0,0|2,0,0]=4 1071 B13R1.418 CO\C(=C/c1ccccc1)C(=O)O Amb1945718 [0,1,1,0,0,0|2,0,0]=4 1072 B13R1.418 CO\C(=C\c1ccccc1)C(=O)O Amb28242324 [0,1,1,0,0,0|2,0,0]=4 1073 B13R1.418 CS\C(=C/c1cccnc1)C(=O)O Amb1761008 [0,1,1,0,0,0|1,1,0]=4 1074 B13R1.418 N#C\C(=C/c1ccccc1)C(N)=O Amb2222555 [0,1,1,0,0,0|2,0,0]=4 1075 B13R1.418 N#C\C(=C/c1cccnc1)C(=O)O Amb1133348 [0,1,1,0,0,0|2,0,0]=4 1076 B13R1.418 N#C\C(=C/c1cccnc1)C(=O)[O-] Amb33513112 [0,1,1,0,0,0|2,0,0]=4 1077 B13R1.418 N#C\C(=C/c1cccnc1)C(N)=S Amb2693602 [0,1,1,0,0,0|1,1,0]=4 1078 B13R1.418 N#C\C(=C\c1ccccc1)C(N)=O Amb4074010 [0,1,1,0,0,0|2,0,0]=4 1079 B13R1.418 N#C\C(=C\c1cccnc1)C(=O)O Amb10068989 [0,1,1,0,0,0|2,0,0]=4 1080 B13R1.418 N#C\C(=C\c1cccnc1)C(N)=S Amb9798605 [0,1,1,0,0,0|1,1,0]=4 1081 B13R1.418 NC(=O)\C(=C\O)Sc1ccccc1 Amb27630458 [0,1,1,0,0,0|2,0,0]=4 1082 B13R1.418 NC\C(=C/c1cccnc1)C(=O)O Amb27232796 [0,1,1,0,0,0|2,0,0]=4 1083 B13R1.418 NC\C(=C\c1cccnc1)C(=O)O Amb27477995 [0,1,1,0,0,0|2,0,0]=4 1084 B13R1.418 O=C(O)\C(=C/c1ccccc1)CO Amb20671516 [0,1,1,0,0,0|2,0,0]=4 1085 B13R1.418 O=C(O)\C(Cc1cccnc1)=N/O Amb23603650 [0,1,1,0,0,0|1,0,1]=4 1086 B13R1.380 CC(=O)Nc1ccccc1\C=C\Br Amb33135173 [0,1,1,0,0,0|2,0,0]=4 1087 B13R1.380 CC(=O)Nc1ccccc1\C=C\Cl Amb27878645 [0,1,1,0,0,0|2,0,0]=4 1088 B13R1.380 CC(=O)Nc1ccccc1\C=N\O Amb27782390 [0,1,1,0,0,0|2,0,0]=4 1089 B13R1.380 NC(=O)Nc1ccccc1\C=N\O Amb27471956 [0,1,1,0,0,0|2,0,0]=4 1090 B13R1.382 C\C=C(\C)c1ccccc1NC=O Amb28077107 [0,1,1,0,0,0|2,0,0]=4 1091 B13R1.91 C=CC(=O)Nc1ccccc1C=C Amb27596942 [0,1,1,0,0,0|2,0,0]=4 1092 B13R1.275 CC(O)(C=O)Cc1cnccc1N Amb27177014 [0,1,1,0,0,0|0,0,2]=4 1093 B13R1.335 CC\C(C=O)=C\c1cnccc1C Amb27461851 [0,1,1,0,0,0|2,0,0]=4 1094 B13R1.470 COCC(=O)Nc1ccncc1F Amb27162952 [0,1,1,0,0,0|1,0,1]=4 1095 B13R1.470 CONC(=O)Nc1ccncc1Br Amb28184938 [0,1,1,0,0,0|2,0,0]=4 1096 B13R1.470 CONC(=O)Nc1ccncc1Cl Amb28063601 [0,1,1,0,0,0|2,0,0]=4 1097 B13R1.470 CONC(=O)Nc1ccncc1F Amb27487255 [0,1,1,0,0,0|2,0,0]=4 1098 B13R1.470 CONC(=O)Nc1ccncc1I Amb27757006 [0,1,1,0,0,0|2,0,0]=4 1099 B13R1.470 Cc1ccccc1NC(=O)\C=N\O Amb6360526 [0,1,1,0,0,0|1,0,1]=4 1100 B13R1.470 O=C(\C=N\O)Nc1ccccc1Br Amb1223214 [0,1,1,0,0,0|2,0,0]=4 1101 B13R1.470 O=C(\C=N\O)Nc1ccccc1Cl Amb6547919 [0,1,1,0,0,0|2,0,0]=4 1102 B13R1.470 O=C(\C=N\O)Nc1ccccc1F Amb6548732 [0,1,1,0,0,0|2,0,0]=4 1103 B13R1.470 O=C(\C=N\O)Nc1ccccc1I Amb4032179 [0,1,1,0,0,0|2,0,0]=4 1104 B13R2.32 Brc1c(I)cnc2ccncc12 Amb32424326 [1,1,0,0,0,0|1,0,1]=4 1105 B13R2.32 Brc1cnc2ccncc2c1Br Amb25149969 [1,1,0,0,0,0|1,0,1]=4 1106 B13R2.32 C=C1C(=O)C=Cc2ccccc21 Amb27270865 [1,1,0,0,0,0|2,0,0]=4 1107 B13R2.32 C=C1C=Cc2ccccc2N1C Amb25918137 [1,1,0,0,0,0|2,0,0]=4 1108 B13R2.32 CC1=CNc2ccccc2C1=O Amb21811680 [1,1,0,0,0,0|2,0,0]=4 1109 B13R2.32 CN1C(=O)C=Cc2ccccc21 Amb19116112 [1,1,0,0,0,0|1,0,0]=3 1110 B13R2.32 CN1C(=O)C=Cc2cccnc21 Amb28365713 [1,1,0,0,0,0|2,0,0]=4 1111 B13R2.32 CN1C(=O)C=Cc2cnccc21 Amb22491898 [1,1,0,0,0,0|0,0,0]=2 1112 B13R2.32 CN1C(=O)C=Cc2ncccc21 Amb28254581 [1,1,0,0,0,0|2,0,0]=4 1113 B13R2.32 CN1C(=S)C=Cc2ccccc21 Amb19651670 [1,1,0,0,0,0|1,1,0]=4 1114 B13R2.32 Cc1c(N)ccc2ccncc12 Amb22753791 [1,1,0,0,0,0|2,0,0]=4 1115 B13R2.32 Cc1c(N)ccc2cnccc12 Amb27175658 [1,1,0,0,0,0|2,0,0]=4 1116 B13R2.32 Cc1c(O)ccc2ccccc12 Amb4016608 [1,1,0,0,0,0|2,0,0]=4 1117 B13R2.32 Cc1c(O)ccc2ccncc12 Amb4013117 [1,1,0,0,0,0|1,0,0]=3 1118 B13R2.32 Cc1c(O)cnc2ccccc12 Amb18645166 [1,1,0,0,0,0|1,0,1]=4 1119 B13R2.32 Cc1ccc2ccncc2c1Br Amb24497835 [1,1,0,0,0,0|2,0,0]=4 1120 B13R2.32 Cc1ccc2ccncc2c1F Amb32795007 [1,1,0,0,0,0|2,0,0]=4 1121 B13R2.32 Cc1ccc2cnccc2c1Br Amb21963323 [1,1,0,0,0,0|2,0,0]=4 1122 B13R2.32 Cc1ccc2cnccc2c1C Amb25940951 [1,1,0,0,0,0|2,0,0]=4 1123 B13R2.32 Cc1ccc2cnccc2c1Cl Amb23453146 [1,1,0,0,0,0|2,0,0]=4 1124 B13R2.32 Cc1ccc2cnccc2c1F Amb32670337 [1,1,0,0,0,0|2,0,0]=4 1125 B13R2.32 Cc1ccc2cnccc2c1N Amb23504053 [1,1,0,0,0,0|2,0,0]=4 1126 B13R2.32 Clc1c(Br)ccc2ccncc12 Amb33465363 [1,1,0,0,0,0|2,0,0]=4 1127 B13R2.32 Clc1c(Br)cnc2ccncc12 Amb23455368 [1,1,0,0,0,0|1,0,1]=4 1128 B13R2.32 Clc1c(I)cnc2ccncc12 Amb32424325 [1,1,0,0,0,0|1,0,1]=4 1129 B13R2.32 Clc1ccc2ccncc2c1Br Amb32665133 [1,1,0,0,0,0|2,0,0]=4 1130 B13R2.32 Clc1ccc2ccncc2c1Cl Amb10071113 [1,1,0,0,0,0|2,0,0]=4 1131 B13R2.32 Clc1ccc2cnccc2c1Cl Amb18349249 [1,1,0,0,0,0|2,0,0]=4 1132 B13R2.32 Clc1cnc2ccncc2c1Cl Amb32424328 [1,1,0,0,0,0|1,0,1]=4 1133 B13R2.32 Cn1c(=N)ccc2ccccc21 Amb8439002 [1,1,0,0,0,0|2,0,0]=4 1134 B13R2.32 Cn1c(=O)cnc2ccccc21 Amb2612192 [1,1,0,0,0,0|2,0,0]=4 1135 B13R2.32 Fc1c(Br)ccc2ccncc12 Amb32680309 [1,1,0,0,0,0|2,0,0]=4 1136 B13R2.32 Fc1c(Br)ccc2cnccc12 Amb25859083 [1,1,0,0,0,0|2,0,0]=4 1137 B13R2.32 Fc1c(Cl)ccc2cnccc12 Amb25281726 [1,1,0,0,0,0|2,0,0]=4 1138 B13R2.32 Fc1c(I)ccc2cnccc12 Amb27247463 [1,1,0,0,0,0|2,0,0]=4 1139 B13R2.32 Fc1ccc2ccncc2c1Br Amb25239557 [1,1,0,0,0,0|2,0,0]=4 1140 B13R2.32 Fc1ccc2cnccc2c1Br Amb19100703 [1,1,0,0,0,0|2,0,0]=4 1141 B13R2.32 Fc1ccc2cnccc2c1F Amb32670336 [1,1,0,0,0,0|2,0,0]=4 1142 B13R2.32 N=C1C(=O)C=Cc2ccccc21 Amb27227038 [1,1,0,0,0,0|2,0,0]=4 1143 B13R2.32 NC1=CNc2ccncc2C1=O Amb23455392 [1,1,0,0,0,0|1,0,0]=3 1144 B13R2.32 Nc1c(Br)ccc2cnccc12 Amb22233564 [1,1,0,0,0,0|2,0,0]=4 1145 B13R2.32 Nc1c(Br)cnc2ccncc12 Amb18658933 [1,1,0,0,0,0|1,0,1]=4 1146 B13R2.32 Nc1c(Cl)ccc2ccncc12 Amb18824788 [1,1,0,0,0,0|2,0,0]=4 1147 B13R2.32 Nc1c(Cl)ccc2cnccc12 Amb27260918 [1,1,0,0,0,0|2,0,0]=4 1148 B13R2.32 Nc1c(Cl)cnc2ccncc12 Amb32419257 [1,1,0,0,0,0|1,0,1]=4 1149 B13R2.32 Nc1c(F)ccc2ccncc12 Amb18829766 [1,1,0,0,0,0|2,0,0]=4 1150 B13R2.32 Nc1c(F)ccc2cnccc12 Amb24062939 [1,1,0,0,0,0|2,0,0]=4 1151 B13R2.32 Nc1c(I)cnc2ccncc12 Amb33330013 [1,1,0,0,0,0|1,0,1]=4 1152 B13R2.32 Nc1c(O)ccc2ccccc12 Amb1088955 [1,1,0,0,0,0|2,0,0]=4 1153 B13R2.32 Nc1c(O)ccc2ccccc12 Amb2592795 [1,1,0,0,0,0|2,0,0]=4 1154 B13R2.32 Nc1c(O)ccc2ccncc12 Amb18830216 [1,1,0,0,0,0|1,0,0]=3 1155 B13R2.32 Nc1c(O)ccc2ccncc12 Amb35747930 [1,1,0,0,0,0|1,0,0]=3 1156 B13R2.32 Nc1c(O)ccc2ccncc12 Amb35748102 [1,1,0,0,0,0|1,0,0]=3 1157 B13R2.32 Nc1c(O)ccc2cnccc12 Amb24071034 [1,1,0,0,0,0|1,0,1]=4 1158 B13R2.32 Nc1ccc2cnccc2c1Br Amb22235293 [1,1,0,0,0,0|2,0,0]=4 1159 B13R2.32 Nc1ccc2cnccc2c1Cl Amb22235268 [1,1,0,0,0,0|2,0,0]=4 1160 B13R2.32 Nc1ccc2cnccc2c1N Amb27389289 [1,1,0,0,0,0|2,0,0]=4 1161 B13R2.32 Nc1cnc2ccncc2c1Br Amb32418920 [1,1,0,0,0,0|1,0,1]=4 1162 B13R2.32 O=C1C(I)=CNc2ccncc21 Amb26994185 [1,1,0,0,0,0|1,0,0]=3 1163 B13R2.32 O=C1C(O)=CSc2ccccc21 Amb20252018 [1,1,0,0,0,0|2,0,0]=4 1164 B13R2.32 O=C1C=Cc2ccccc2C1=O Amb534349 [1,1,0,0,0,0|2,0,0]=4 1165 B13R2.32 O=C1C=Cc2ccccc2C1=S Amb27177701 [1,1,0,0,0,0|2,0,0]=4 1166 B13R2.32 O=C1C=Cc2ccccc2N1O Amb22723451 [1,1,0,0,0,0|1,0,0]=3 1167 B13R2.32 O=C1N=Cc2ccccc2N1O Amb28248668 [1,1,0,0,0,0|2,0,0]=4 1168 B13R2.32 Oc1c(Br)cnc2ccncc12 Amb22439014 [1,1,0,0,0,0|1,0,1]=4 1169 B13R2.32 Oc1ccc2ccccc2c1Br Amb6399651 [1,1,0,0,0,0|2,0,0]=4 1170 B13R2.32 Oc1ccc2ccccc2c1Cl Amb17594574 [1,1,0,0,0,0|2,0,0]=4 1171 B13R2.32 Oc1ccc2ccccc2c1F Amb18645624 [1,1,0,0,0,0|2,0,0]=4 1172 B13R2.32 Oc1ccc2ccccc2c1I Amb2782872 [1,1,0,0,0,0|2,0,0]=4 1173 B13R2.32 Oc1ccc2ccccc2c1O Amb18054059 [1,1,0,0,0,0|2,0,0]=4 1174 B13R2.32 Oc1ccc2ccccc2c1S Amb20093303 [1,1,0,0,0,0|2,0,0]=4 1175 B13R2.32 Oc1ccc2ccncc2c1Br Amb23441146 [1,1,0,0,0,0|1,0,0]=3 1176 B13R2.32 Oc1ccc2ccncc2c1Cl Amb17594597 [1,1,0,0,0,0|1,0,0]=3 1177 B13R2.32 Oc1ccc2ccncc2c1O Amb27460768 [1,1,0,0,0,0|1,0,0]=3 1178 B13R2.32 Oc1cnc2ccccc2c1Br Amb8438944 [1,1,0,0,0,0|1,0,1]=4 1179 B13R2.32 Oc1cnc2ccccc2c1Cl Amb18648301 [1,1,0,0,0,0|1,0,1]=4 1180 B13R2.32 Oc1cnc2ccccc2c1Cl Amb32653571 [1,1,0,0,0,0|1,0,1]=4 1181 B13R2.32 Oc1cnc2ccccc2c1F Amb27592408 [1,1,0,0,0,0|1,0,1]=4 1182 B13R2.32 Oc1cnc2ccccc2c1I Amb22752326 [1,1,0,0,0,0|1,0,1]=4 1183 B13R2.32 Oc1cnc2ccccc2c1O Amb5718045 [1,1,0,0,0,0|1,0,1]=4 1184 B13R2.32 Oc1cnc2ccccc2c1S Amb18127892 [1,1,0,0,0,0|1,0,1]=4 1185 B13R2.32 S=C1C(S)=CNc2ccccc21 Amb27209576 [1,1,0,0,0,0|1,1,0]=4 1186 B13R2.32 [NH3+]c1c(O)ccc2ccccc12 Amb22489532 [1,1,0,0,0,0|2,0,0]=4 1187 B13R2.57 BrCc1ccc2ccncc2c1 Amb10070401 [1,1,0,0,0,0|2,0,0]=4 1188 B13R2.57 BrCc1ccc2ccncc2c1 Amb13890504 [1,1,0,0,0,0|2,0,0]=4 1189 B13R2.57 BrCc1ccc2cnccc2c1 Amb10070778 [1,1,0,0,0,0|2,0,0]=4 1190 B13R2.57 C#Cc1ccc2cnccc2c1 Amb21857755 [1,1,0,0,0,0|2,0,0]=4 1191 B13R2.57 C#Cc1ccc2cnccc2n1 Amb27464669 [1,1,0,0,0,0|1,0,1]=4 1192 B13R2.57 C=Cc1ccc2cnccc2c1 Amb28066715 [1,1,0,0,0,0|2,0,0]=4 1193 B13R2.57 CCc1ccc2ccncc2c1 Amb19100642 [1,1,0,0,0,0|2,0,0]=4 1194 B13R2.57 CCc1ccc2cnccc2c1 Amb24091669 [1,1,0,0,0,0|2,0,0]=4 1195 B13R2.57 CCc1ccc2cnccc2n1 Amb24648881 [1,1,0,0,0,0|1,0,1]=4 1196 B13R2.57 CNc1ccc2cnccc2c1 Amb19109233 [1,1,0,0,0,0|2,0,0]=4 1197 B13R2.57 CNc1ccc2cnccc2c1 Amb33532500 [1,1,0,0,0,0|2,0,0]=4 1198 B13R2.57 CNc1ccc2cnccc2c1 Amb35789161 [1,1,0,0,0,0|2,0,0]=4 1199 B13R2.57 COc1ccc2ccccc2c1 Amb2610832 [1,1,0,0,0,0|2,0,0]=4 1200 B13R2.57 COc1ccc2ccncc2c1 Amb10610318 [1,1,0,0,0,0|1,0,0]=3 1201 B13R2.57 COc1ccc2ccncc2c1 Amb5638098 [1,1,0,0,0,0|1,0,0]=3 1202 B13R2.57 COc1ccc2cnccc2c1 Amb10071944 [1,1,0,0,0,0|1,0,1]=4 1203 B13R2.57 COc1ccc2cnccc2c1 Amb22236031 [1,1,0,0,0,0|1,0,1]=4 1204 B13R2.57 COc1ccc2cnncc2c1 Amb26464081 [1,1,0,0,0,0|2,0,0]=4 1205 B13R2.57 COc1cnc2ccccc2c1 Amb19957896 [1,1,0,0,0,0|1,0,1]=4 1206 B13R2.57 CSc1ccc2ccncc2c1 Amb27968016 [1,1,0,0,0,0|1,1,0]=4 1207 B13R2.57 ClCc1ccc2ccncc2c1 Amb27955828 [1,1,0,0,0,0|2,0,0]=4 1208 B13R2.57 ClCc1ccc2cnccc2c1 Amb25138786 [1,1,0,0,0,0|2,0,0]=4 1209 B13R2.57 ClCc1ccc2cnccc2c1 Amb32751753 [1,1,0,0,0,0|2,0,0]=4 1210 B13R2.57 N#Cc1ccc2ccncc2c1 Amb10842296 [1,1,0,0,0,0|2,0,0]=4 1211 B13R2.57 N#Cc1ccc2cnccc2c1 Amb10842295 [1,1,0,0,0,0|2,0,0]=4 1212 B13R2.57 N#Cc1cnc2ccncc2c1 Amb28324252 [1,1,0,0,0,0|1,0,1]=4 1213 B13R2.57 NCc1ccc2ccncc2c1 Amb8009846 [1,1,0,0,0,0|2,0,0]=4 1214 B13R2.57 NCc1ccc2cnccc2c1 Amb22736520 [1,1,0,0,0,0|2,0,0]=4 1215 B13R2.57 NCc1ccc2cnccc2c1 Amb33533285 [1,1,0,0,0,0|2,0,0]=4 1216 B13R2.57 NCc1ccc2cnccc2n1 Amb25149929 [1,1,0,0,0,0|1,0,1]=4 1217 B13R2.57 NCc1cnc2ccncc2c1 Amb27209078 [1,1,0,0,0,0|1,0,1]=4 1218 B13R2.57 NNc1ccc2ccncc2c1 Amb24548856 [1,1,0,0,0,0|2,0,0]=4 1219 B13R2.57 NNc1ccc2cnccc2c1 Amb10844883 [1,1,0,0,0,0|2,0,0]=4 1220 B13R2.57 O=Cc1ccc2ccccc2c1 Amb3939951 [1,1,0,0,0,0|2,0,0]=4 1221 B13R2.57 O=Cc1ccc2ccccc2n1 Amb533663 [1,1,0,0,0,0|1,0,1]=4 1222 B13R2.57 O=Cc1ccc2ccncc2c1 Amb8010572 [1,1,0,0,0,0|1,0,1]=4 1223 B13R2.57 O=Cc1ccc2cnccc2c1 Amb8010571 [1,1,0,0,0,0|1,0,0]=3 1224 B13R2.57 O=Cc1ccc2cnccc2n1 Amb3931332 [1,1,0,0,0,0|0,0,1]=3 1225 B13R2.57 O=Cc1ccc2cncnc2c1 Amb24456830 [1,1,0,0,0,0|2,0,0]=4 1226 B13R2.57 O=Cc1cnc2ccncc2c1 Amb27846960 [1,1,0,0,0,0|0,0,2]=4 1227 B13R2.57 O=Nc1ccc2ccccc2c1 Amb27170669 [1,1,0,0,0,0|2,0,0]=4 1228 B13R2.57 OCC1=CNc2ccccc2N1 Amb24309070 [1,1,0,0,0,0|2,0,0]=4 1229 B13R2.57 OCc1ccc2ccccc2c1 Amb2389960 [1,1,0,0,0,0|2,0,0]=4 1230 B13R2.57 OCc1ccc2ccncc2c1 Amb19104916 [1,1,0,0,0,0|1,0,0]=3 1231 B13R2.57 OCc1ccc2cnccc2c1 Amb10070398 [1,1,0,0,0,0|1,0,1]=4 1232 B13R2.57 OCc1cnc2ccccc2c1 Amb1995109 [1,1,0,0,0,0|1,0,1]=4 1233 B13R2.57 OCc1cnc2ccccc2c1 Amb20668047 [1,1,0,0,0,0|1,0,1]=4 1234 B13R2.57 SCc1ccc2cnccc2c1 Amb32788552 [1,1,0,0,0,0|1,1,0]=4 1235 B13R2.155 Brc1ccc2cnc(Br)cc2c1 Amb27646822 [1,1,0,0,0,0|2,0,0]=4 1236 B13R2.155 Cc1cc2c(cn1)C=CC(=O)N2 Amb27790702 [1,1,0,0,0,0|0,0,0]=2 1237 B13R2.155 Cc1cc2c(cn1)OCC(=O)N2 Amb28323509 [1,1,0,0,0,0|1,0,1]=4 1238 B13R2.155 Cc1cc2cc(Br)ccc2cn1 Amb23401576 [1,1,0,0,0,0|2,0,0]=4 1239 B13R2.155 Cc1cc2cc(Cl)ccc2cn1 Amb21964541 [1,1,0,0,0,0|2,0,0]=4 1240 B13R2.155 Cc1cc2cc(F)ccc2cn1 Amb22586589 [1,1,0,0,0,0|2,0,0]=4 1241 B13R2.155 Cc1cc2cc(N)ccc2cn1 Amb28324250 [1,1,0,0,0,0|2,0,0]=4 1242 B13R2.155 Cc1ccc2c(c1)NC(=O)C=C2 Amb21857833 [1,1,0,0,0,0|1,0,0]=3 1243 B13R2.155 Cc1ccc2c(c1)NC(=O)N=C2 Amb24468183 [1,1,0,0,0,0|2,0,0]=4 1244 B13R2.155 Cc1ccc2c(c1)OC(=O)C=C2 Amb18511476 [1,1,0,0,0,0|2,0,0]=4 1245 B13R2.155 Cc1ccc2ccc(O)cc2c1 Amb18645051 [1,1,0,0,0,0|2,0,0]=4 1246 B13R2.155 Cc1ccc2cnc(C)cc2c1 Amb24085597 [1,1,0,0,0,0|2,0,0]=4 1247 B13R2.155 Cc1ccc2cnc(Cl)cc2c1 Amb24744437 [1,1,0,0,0,0|2,0,0]=4 1248 B13R2.155 Cc1ccc2cnc(N)cc2c1 Amb22234743 [1,1,0,0,0,0|2,0,0]=4 1249 B13R2.155 Cc1ccc2ncc(O)cc2c1 Amb8506040 [1,1,0,0,0,0|1,0,1]=4 1250 B13R2.155 Cc1cnc2c(c1)NC(=O)C=C2 Amb24556512 [1,1,0,0,0,0|2,0,0]=4 1251 B13R2.155 Clc1cc2cc(Br)ccc2cn1 Amb16185765 [1,1,0,0,0,0|2,0,0]=4 1252 B13R2.155 Clc1ccc2cnc(Br)cc2c1 Amb21927750 [1,1,0,0,0,0|2,0,0]=4 1253 B13R2.155 Clc1ccc2cnc(Cl)cc2c1 Amb24634977 [1,1,0,0,0,0|2,0,0]=4 1254 B13R2.155 Fc1cc2cc(Br)ccc2cn1 Amb21963499 [1,1,0,0,0,0|2,0,0]=4 1255 B13R2.155 Fc1ccc2cnc(Cl)cc2c1 Amb26458404 [1,1,0,0,0,0|2,0,0]=4 1256 B13R2.155 Nc1cc2c(cn1)C=CC(=O)N2 Amb24400239 [1,1,0,0,0,0|0,0,0]=2 1257 B13R2.155 Nc1cc2c(cn1)CCC(=O)N2 Amb27246871 [1,1,0,0,0,0|0,0,2]=4 1258 B13R2.155 Nc1cc2cc(Br)ccc2cn1 Amb19517021 [1,1,0,0,0,0|2,0,0]=4 1259 B13R2.155 Nc1cc2cc(Cl)ccc2cn1 Amb22499392 [1,1,0,0,0,0|2,0,0]=4 1260 B13R2.155 Nc1cc2cc(F)ccc2cn1 Amb28315392 [1,1,0,0,0,0|2,0,0]=4 1261 B13R2.155 Nc1cc2cc(O)ccc2cn1 Amb25915246 [1,1,0,0,0,0|1,0,1]=4 1262 B13R2.155 Nc1ccc2c(c1)NC(=O)C=C2 Amb18545106 [1,1,0,0,0,0|1,0,0]=3 1263 B13R2.155 Nc1ccc2c(c1)NC(=O)C=N2 Amb19789097 [1,1,0,0,0,0|2,0,0]=4 1264 B13R2.155 Nc1ccc2c(c1)OC(=O)C=C2 Amb19130409 [1,1,0,0,0,0|2,0,0]=4 1265 B13R2.155 Nc1ccc2c(n1)NC(=O)C=C2 Amb19516712 [1,1,0,0,0,0|2,0,0]=4 1266 B13R2.155 Nc1ccc2ccc(O)cc2c1 Amb21955697 [1,1,0,0,0,0|2,0,0]=4 1267 B13R2.155 Nc1ccc2ccc(O)cc2c1 Amb9173657 [1,1,0,0,0,0|2,0,0]=4 1268 B13R2.155 Nc1ccc2cnc(Cl)cc2c1 Amb22735854 [1,1,0,0,0,0|2,0,0]=4 1269 B13R2.155 Nc1ccc2cnc(O)cc2c1 Amb22735994 [1,1,0,0,0,0|2,0,0]=4 1270 B13R2.155 Nc1ccc2ncc(O)cc2c1 Amb24183776 [1,1,0,0,0,0|1,0,1]=4 1271 B13R2.155 O=C1C=Cc2ccc(Br)cc2N1 Amb20248087 [1,1,0,0,0,0|1,0,0]=3 1272 B13R2.155 O=C1C=Cc2ccc(Br)cc2O1 Amb26841310 [1,1,0,0,0,0|2,0,0]=4 1273 B13R2.155 O=C1C=Cc2ccc(Cl)cc2N1 Amb19894727 [1,1,0,0,0,0|1,0,0]=3 1274 B13R2.155 O=C1C=Cc2ccc(F)cc2N1 Amb23412015 [1,1,0,0,0,0|1,0,0]=3 1275 B13R2.155 O=C1C=Cc2ccc(F)cc2O1 Amb24736406 [1,1,0,0,0,0|2,0,0]=4 1276 B13R2.155 O=C1C=Cc2ccc(F)nc2N1 Amb22386916 [1,1,0,0,0,0|2,0,0]=4 1277 B13R2.155 O=C1C=Cc2ccc(I)cc2O1 Amb26420862 [1,1,0,0,0,0|2,0,0]=4 1278 B13R2.155 O=C1C=Cc2ccc(O)cc2N1 Amb18645438 [1,1,0,0,0,0|1,0,0]=3 1279 B13R2.155 O=C1C=Cc2ccc(O)cc2O1 Amb18511480 [1,1,0,0,0,0|2,0,0]=4 1280 B13R2.155 O=C1C=Cc2ccc(S)cc2O1 Amb27963071 [1,1,0,0,0,0|2,0,0]=4 1281 B13R2.155 O=C1C=Cc2cnc(Cl)cc2N1 Amb28121939 [1,1,0,0,0,0|0,0,0]=2 1282 B13R2.155 O=C1C=Cc2cnc(F)cc2N1 Amb22494138 [1,1,0,0,0,0|0,0,0]=2 1283 B13R2.155 O=C1C=Cc2ncc(Br)cc2N1 Amb22739841 [1,1,0,0,0,0|2,0,0]=4 1284 B13R2.155 O=C1C=Cc2ncc(Cl)cc2N1 Amb22235070 [1,1,0,0,0,0|2,0,0]=4 1285 B13R2.155 O=C1C=Cc2ncc(F)cc2N1 Amb22234515 [1,1,0,0,0,0|2,0,0]=4 1286 B13R2.155 O=C1C=Nc2ccc(Br)cc2N1 Amb19789102 [1,1,0,0,0,0|2,0,0]=4 1287 B13R2.155 O=C1C=Nc2ccc(Cl)cc2N1 Amb19889641 [1,1,0,0,0,0|2,0,0]=4 1288 B13R2.155 O=C1C=Nc2ccc(I)cc2N1 Amb25178643 [1,1,0,0,0,0|2,0,0]=4 1289 B13R2.155 O=C1C=Nc2cnc(Br)cc2N1 Amb28188844 [1,1,0,0,0,0|1,0,0]=3 1290 B13R2.155 O=C1CNc2cnc(Br)cc2N1 Amb24436858 [1,1,0,0,0,0|1,0,1]=4 1291 B13R2.155 O=C1COc2cnc(Br)cc2N1 Amb22899219 [1,1,0,0,0,0|1,0,1]=4 1292 B13R2.155 O=C1COc2cnc(Cl)cc2N1 Amb21858480 [1,1,0,0,0,0|1,0,1]=4 1293 B13R2.155 O=C1N=Cc2ccc(Br)cc2N1 Amb21963258 [1,1,0,0,0,0|2,0,0]=4 1294 B13R2.155 O=C1Nc2cc(Cl)ncc2CO1 Amb33620596 [1,1,0,0,0,0|1,0,1]=4 1295 B13R2.155 O=c1ccc2ccc(Cl)cc2o1 Amb5717858 [1,1,0,0,0,0|2,0,0]=4 1296 B13R2.155 Oc1cc2cc(Br)ccc2cn1 Amb16185816 [1,1,0,0,0,0|2,0,0]=4 1297 B13R2.155 Oc1cc2cc(F)ccc2cn1 Amb20171182 [1,1,0,0,0,0|2,0,0]=4 1298 B13R2.155 Oc1ccc2ccc(Br)cc2c1 Amb17596083 [1,1,0,0,0,0|2,0,0]=4 1299 B13R2.155 Oc1ccc2ccc(Cl)cc2c1 Amb17594576 [1,1,0,0,0,0|2,0,0]=4 1300 B13R2.155 Oc1ccc2ccc(F)cc2c1 Amb24589653 [1,1,0,0,0,0|2,0,0]=4 1301 B13R2.155 Oc1ccc2ccc(I)cc2c1 Amb24429632 [1,1,0,0,0,0|2,0,0]=4 1302 B13R2.155 Oc1ccc2ccc(O)cc2c1 Amb6357388 [1,1,0,0,0,0|2,0,0]=4 1303 B13R2.155 Oc1ccc2cnc(Cl)cc2c1 Amb22735856 [1,1,0,0,0,0|1,0,1]=4 1304 B13R2.155 Oc1ccc2cnc(O)cc2c1 Amb27240825 [1,1,0,0,0,0|1,0,1]=4 1305 B13R2.155 Oc1ccc2ncc(O)cc2c1 Amb24485547 [1,1,0,0,0,0|1,0,1]=4 1306 B13R2.155 Oc1cnc2ccc(Br)cc2c1 Amb33548540 [1,1,0,0,0,0|1,0,1]=4 1307 B13R2.155 Oc1cnc2ccc(Cl)cc2c1 Amb33547567 [1,1,0,0,0,0|1,0,1]=4 1308 B13R2.155 Oc1cnc2ccc(F)cc2c1 Amb22494761 [1,1,0,0,0,0|1,0,1]=4 1309 B13R2.155 Oc1cnc2ccc(I)cc2c1 Amb22494758 [1,1,0,0,0,0|1,0,1]=4 1310 B13R2.162 Brc1ccc2ccnc(Br)c2c1 Amb18346667 [1,1,0,0,0,0|2,0,0]=4 1311 B13R2.162 Brc1ccc2ccnc(I)c2c1 Amb27402687 [1,1,0,0,0,0|2,0,0]=4 1312 B13R2.162 Brc1ccc2cncc(Br)c2c1 Amb31260979 [1,1,0,0,0,0|2,0,0]=4 1313 B13R2.162 Brc1ccc2cncc(I)c2c1 Amb32904110 [1,1,0,0,0,0|2,0,0]=4 1314 B13R2.162 Brc1nccc2ccc(I)cc12 Amb28067102 [1,1,0,0,0,0|2,0,0]=4 1315 B13R2.162 CC1=CNC2=CC=CC(=N)C2=C1 Amb28245115 [1,1,0,0,0,0|2,0,0]=4 1316 B13R2.162 Cc1ccc2ccnc(Br)c2c1 Amb18560391 [1,1,0,0,0,0|2,0,0]=4 1317 B13R2.162 Cc1ccc2ccnc(Cl)c2c1 Amb17935702 [1,1,0,0,0,0|2,0,0]=4 1318 B13R2.162 Cc1ccc2ccnc(N)c2c1 Amb33545529 [1,1,0,0,0,0|2,0,0]=4 1319 B13R2.162 Cc1ccc2cncc(Br)c2c1 Amb16185648 [1,1,0,0,0,0|2,0,0]=4 1320 B13R2.162 Cc1ccc2cncc(C)c2c1 Amb27959032 [1,1,0,0,0,0|2,0,0]=4 1321 B13R2.162 Cc1ccc2cncc(O)c2c1 Amb18357327 [1,1,0,0,0,0|2,0,0]=4 1322 B13R2.162 Cc1cccc2c1NC(=O)C=C2 Amb18546019 [1,1,0,0,0,0|1,0,0]=3 1323 B13R2.162 Cc1cccc2c1OC(=O)C=C2 Amb28429789 [1,1,0,0,0,0|2,0,0]=4 1324 B13R2.162 Cc1cccc2ccc(O)cc12 Amb28347350 [1,1,0,0,0,0|2,0,0]=4 1325 B13R2.162 Cc1cccc2ncc(O)cc12 Amb25696317 [1,1,0,0,0,0|1,0,1]=4 1326 B13R2.162 Cc1cnc2ccnc(Cl)c2c1 Amb27470825 [1,1,0,0,0,0|1,0,1]=4 1327 B13R2.162 Cc1cncc2ccc(Br)cc12 Amb25844019 [1,1,0,0,0,0|2,0,0]=4 1328 B13R2.162 Cc1cncc2ccc(N)cc12 Amb27402992 [1,1,0,0,0,0|2,0,0]=4 1329 B13R2.162 Cc1cncc2ccc(O)cc12 Amb28340871 [1,1,0,0,0,0|1,0,1]=4 1330 B13R2.162 Cc1nccc2ccc(Br)cc12 Amb25260820 [1,1,0,0,0,0|2,0,0]=4 1331 B13R2.162 Cc1nccc2ccc(F)cc12 Amb24409520 [1,1,0,0,0,0|2,0,0]=4 1332 B13R2.162 Cc1nccc2ccc(N)cc12 Amb25108568 [1,1,0,0,0,0|2,0,0]=4 1333 B13R2.162 Cc1nccc2ccc(O)cc12 Amb27470974 [1,1,0,0,0,0|1,0,0]=3 1334 B13R2.162 Clc1ccc2ccnc(Br)c2c1 Amb18062825 [1,1,0,0,0,0|2,0,0]=4 1335 B13R2.162 Clc1ccc2ccnc(Cl)c2c1 Amb18062765 [1,1,0,0,0,0|2,0,0]=4 1336 B13R2.162 Clc1ccc2ccnc(I)c2c1 Amb22735862 [1,1,0,0,0,0|2,0,0]=4 1337 B13R2.162 Clc1ccc2cncc(Br)c2c1 Amb33297994 [1,1,0,0,0,0|2,0,0]=4 1338 B13R2.162 Clc1cnc2ccnc(Cl)c2c1 Amb25806177 [1,1,0,0,0,0|1,0,1]=4 1339 B13R2.162 Clc1cncc2ccc(Br)cc12 Amb27445639 [1,1,0,0,0,0|2,0,0]=4 1340 B13R2.162 Clc1nccc2ccc(Br)cc12 Amb6365348 [1,1,0,0,0,0|2,0,0]=4 1341 B13R2.162 Clc1nccc2ccc(I)cc12 Amb26632749 [1,1,0,0,0,0|2,0,0]=4 1342 B13R2.162 Clc1nccc2ncc(Br)cc12 Amb25739061 [1,1,0,0,0,0|1,0,1]=4 1343 B13R2.162 Fc1ccc2ccnc(Br)c2c1 Amb18346637 [1,1,0,0,0,0|2,0,0]=4 1344 B13R2.162 Fc1ccc2ccnc(Cl)c2c1 Amb18346694 [1,1,0,0,0,0|2,0,0]=4 1345 B13R2.162 Fc1ccc2ccnc(I)c2c1 Amb22735488 [1,1,0,0,0,0|2,0,0]=4 1346 B13R2.162 Fc1ccc2cncc(Br)c2c1 Amb27624860 [1,1,0,0,0,0|2,0,0]=4 1347 B13R2.162 Fc1ccc2cncc(Cl)c2c1 Amb26481834 [1,1,0,0,0,0|2,0,0]=4 1348 B13R2.162 Nc1ccc2ccnc(Cl)c2c1 Amb27389363 [1,1,0,0,0,0|2,0,0]=4 1349 B13R2.162 Nc1ccc2ccnc(F)c2c1 Amb33035567 [1,1,0,0,0,0|2,0,0]=4 1350 B13R2.162 Nc1ccc2ccnc(N)c2c1 Amb22739914 [1,1,0,0,0,0|2,0,0]=4 1351 B13R2.162 Nc1ccc2ccnc(S)c2c1 Amb30008844 [1,1,0,0,0,0|2,0,0]=4 1352 B13R2.162 Nc1cccc2c1NC(=O)C=C2 Amb18645297 [1,1,0,0,0,0|1,0,0]=3 1353 B13R2.162 Nc1cccc2c1NC(=O)C=C2 Amb22548256 [1,1,0,0,0,0|1,0,0]=3 1354 B13R2.162 Nc1cccc2c1OC(=O)C=C2 Amb18547323 [1,1,0,0,0,0|2,0,0]=4 1355 B13R2.162 Nc1cccc2ccc(O)cc12 Amb17750263 [1,1,0,0,0,0|2,0,0]=4 1356 B13R2.162 Nc1cccc2ncc(O)cc12 Amb22899411 [1,1,0,0,0,0|1,0,1]=4 1357 B13R2.162 Nc1ccnc2c1NC(=O)C=C2 Amb27453645 [1,1,0,0,0,0|2,0,0]=4 1358 B13R2.162 Nc1cnc2ccnc(O)c2c1 Amb25684206 [1,1,0,0,0,0|1,0,1]=4 1359 B13R2.162 Nc1cncc2ccc(Cl)nc12 Amb27230007 [1,1,0,0,0,0|1,0,1]=4 1360 B13R2.162 Nc1nccc2ccc(Br)cc12 Amb17190316 [1,1,0,0,0,0|2,0,0]=4 1361 B13R2.162 Nc1nccc2ccc(Cl)cc12 Amb18560416 [1,1,0,0,0,0|2,0,0]=4 1362 B13R2.162 Nc1nccc2ccc(F)cc12 Amb24454570 [1,1,0,0,0,0|2,0,0]=4 1363 B13R2.162 Nc1nccc2ccc(I)cc12 Amb25182830 [1,1,0,0,0,0|2,0,0]=4 1364 B13R2.162 O=C1C=CC2=CC=CC(=O)C2=C1 Amb27256369 [1,1,0,0,0,0|2,0,0]=4 1365 B13R2.162 O=C1C=CC2=CNC=C(Br)C2=N1 Amb27810684 [1,1,0,0,0,0|0,0,2]=4 1366 B13R2.162 O=C1C=Cc2cccc(Br)c2N1 Amb17933211 [1,1,0,0,0,0|1,0,0]=3 1367 B13R2.162 O=C1C=Cc2cccc(Br)c2O1 Amb19957580 [1,1,0,0,0,0|2,0,0]=4 1368 B13R2.162 O=C1C=Cc2cccc(Cl)c2O1 Amb28073885 [1,1,0,0,0,0|2,0,0]=4 1369 B13R2.162 O=C1C=Cc2cccc(F)c2N1 Amb18546026 [1,1,0,0,0,0|1,0,0]=3 1370 B13R2.162 O=C1C=Cc2cccc(F)c2O1 Amb27272596 [1,1,0,0,0,0|2,0,0]=4 1371 B13R2.162 O=C1C=Cc2cccc(I)c2N1 Amb24579898 [1,1,0,0,0,0|1,0,0]=3 1372 B13R2.162 O=C1C=Cc2cccc(I)c2O1 Amb25206611 [1,1,0,0,0,0|2,0,0]=4 1373 B13R2.162 O=C1C=Cc2cccc(O)c2N1 Amb18038432 [1,1,0,0,0,0|1,0,0]=3 1374 B13R2.162 O=C1C=Cc2cccc(O)c2O1 Amb18645571 [1,1,0,0,0,0|2,0,0]=4 1375 B13R2.162 O=C1C=Cc2cncc(Br)c2N1 Amb22043947 [1,1,0,0,0,0|0,0,0]=2 1376 B13R2.162 O=C1C=Cc2cncc(Cl)c2N1 Amb33493991 [1,1,0,0,0,0|0,0,0]=2 1377 B13R2.162 O=C1C=Nc2cccc(Br)c2N1 Amb21963796 [1,1,0,0,0,0|2,0,0]=4 1378 B13R2.162 O=C1COc2cncc(Cl)c2N1 Amb27445666 [1,1,0,0,0,0|1,0,1]=4 1379 B13R2.162 O=C1N=CNc2ccc(O)cc21 Amb20247898 [1,1,0,0,0,0|2,0,0]=4 1380 B13R2.162 O=C1N=Cc2cccc(Cl)c2N1 Amb27153655 [1,1,0,0,0,0|2,0,0]=4 1381 B13R2.162 O=C1NC=Cc2ccc(O)cc21 Amb18645442 [1,1,0,0,0,0|1,0,1]=4 1382 B13R2.162 O=c1ccc2cccc(Br)c2o1 Amb22230172 [1,1,0,0,0,0|2,0,0]=4 1383 B13R2.162 Oc1ccc2cccc(Br)c2c1 Amb16231039 [1,1,0,0,0,0|2,0,0]=4 1384 B13R2.162 Oc1ccc2cccc(Cl)c2c1 Amb17594577 [1,1,0,0,0,0|2,0,0]=4 1385 B13R2.162 Oc1ccc2cccc(F)c2c1 Amb18645622 [1,1,0,0,0,0|2,0,0]=4 1386 B13R2.162 Oc1ccc2cccc(I)c2c1 Amb25148831 [1,1,0,0,0,0|2,0,0]=4 1387 B13R2.162 Oc1ccc2cccc(O)c2c1 Amb8516929 [1,1,0,0,0,0|2,0,0]=4 1388 B13R2.162 Oc1ccc2ccnc(Cl)c2c1 Amb22001578 [1,1,0,0,0,0|1,0,0]=3 1389 B13R2.162 Oc1ccc2ccnc(F)c2c1 Amb35653851 [1,1,0,0,0,0|1,0,0]=3 1390 B13R2.162 Oc1ccc2ccnc(S)c2c1 Amb27664121 [1,1,0,0,0,0|1,0,0]=3 1391 B13R2.162 Oc1ccc2ncnc(Cl)c2c1 Amb20247899 [1,1,0,0,0,0|2,0,0]=4 1392 B13R2.162 Oc1ccc2ncnc(F)c2c1 Amb35653961 [1,1,0,0,0,0|2,0,0]=4 1393 B13R2.162 Oc1cnc2cccc(Br)c2c1 Amb22494956 [1,1,0,0,0,0|1,0,1]=4 1394 B13R2.162 Oc1cnc2cccc(Cl)c2c1 Amb24183754 [1,1,0,0,0,0|1,0,1]=4 1395 B13R2.162 Oc1cnc2cccc(F)c2c1 Amb24183767 [1,1,0,0,0,0|1,0,1]=4 1396 B13R2.162 Oc1cnc2cccc(I)c2c1 Amb26868844 [1,1,0,0,0,0|1,0,1]=4 1397 B13R2.162 Oc1cnc2cccc(O)c2c1 Amb26861197 [1,1,0,0,0,0|1,0,1]=4 1398 B13R2.162 Oc1cnc2ccnc(Cl)c2c1 Amb28125663 [1,1,0,0,0,0|0,0,1]=3 1399 B13R2.162 Oc1cncc2ccc(Br)cc12 Amb22235306 [1,1,0,0,0,0|2,0,0]=4 1400 B13R2.162 Oc1nccc2ccc(Br)cc12 Amb33548811 [1,1,0,0,0,0|2,0,0]=4 1401 B13R2.162 Oc1nccc2ccc(Cl)cc12 Amb10603914 [1,1,0,0,0,0|2,0,0]=4 1402 B13R2.162 Oc1nccc2ccc(F)cc12 Amb22492421 [1,1,0,0,0,0|2,0,0]=4 1403 B13R2.222 CC1(C)C=Cc2cnccc2N1 Amb27178160 [1,1,0,0,0,0|1,0,1]=4 1404 B13R2.222 O=S1(=O)C=Cc2ccccc2N1 Amb27468630 [1,1,0,0,0,0|2,0,0]=4 1405 B13R2.328 Brc1cc(Br)c2ccncc2c1 Amb32992619 [1,1,0,0,0,0|2,0,0]=4 1406 B13R2.328 Brc1cc(Br)c2cnccc2c1 Amb32670333 [1,1,0,0,0,0|2,0,0]=4 1407 B13R2.328 C=C1NC(=O)Nc2ccccc21 Amb25150937 [1,1,0,0,0,0|2,0,0]=4 1408 B13R2.328 C=C1OC(=O)Nc2ccccc21 Amb24497158 [1,1,0,0,0,0|2,0,0]=4 1409 B13R2.328 CC1=CC(=O)Cc2ccccc21 Amb28287006 [1,1,0,0,0,0|2,0,0]=4 1410 B13R2.328 CC1=CC(=O)Nc2ccccc21 Amb19654011 [1,1,0,0,0,0|1,0,0]=3 1411 B13R2.328 CC1=CC(=O)Nc2ccncc21 Amb18015580 [1,1,0,0,0,0|0,0,0]=2 1412 B13R2.328 CC1=CC(=O)Oc2ccccc21 Amb20001467 [1,1,0,0,0,0|2,0,0]=4 1413 B13R2.328 CC1=CC(=O)c2ccccc2N1 Amb18368798 [1,1,0,0,0,0|2,0,0]=4 1414 B13R2.328 CC1=CC(=O)c2cnccc2O1 Amb28202041 [1,1,0,0,0,0|2,0,0]=4 1415 B13R2.328 CC1=CC(=S)Nc2ccccc21 Amb18010309 [1,1,0,0,0,0|1,1,0]=4 1416 B13R2.328 CC1=CC(=S)Nc2ccncc21 Amb18528730 [1,1,0,0,0,0|0,1,0]=3 1417 B13R2.328 CN1CC(O)=Cc2ccccc21 Amb27827527 [1,1,0,0,0,0|1,0,1]=4 1418 B13R2.328 Cc1cc(Br)c2ccncc2c1 Amb19100697 [1,1,0,0,0,0|2,0,0]=4 1419 B13R2.328 Cc1cc(Br)c2cnccc2c1 Amb26329512 [1,1,0,0,0,0|2,0,0]=4 1420 B13R2.328 Cc1cc(Br)cc2ccncc12 Amb27613078 [1,1,0,0,0,0|2,0,0]=4 1421 B13R2.328 Cc1cc(C)c2ccncc2c1 Amb24086382 [1,1,0,0,0,0|2,0,0]=4 1422 B13R2.328 Cc1cc(C)c2cnccc2c1 Amb27626041 [1,1,0,0,0,0|2,0,0]=4 1423 B13R2.328 Cc1cc(Cl)c2ccncc2c1 Amb32670344 [1,1,0,0,0,0|2,0,0]=4 1424 B13R2.328 Cc1cc(Cl)c2cnccc2c1 Amb31156557 [1,1,0,0,0,0|2,0,0]=4 1425 B13R2.328 Cc1cc(Cl)cc2ccncc12 Amb4012750 [1,1,0,0,0,0|2,0,0]=4 1426 B13R2.328 Cc1cc(Cl)cc2cnccc12 Amb32670342 [1,1,0,0,0,0|2,0,0]=4 1427 B13R2.328 Cc1cc(F)c2cnccc2c1 Amb32795008 [1,1,0,0,0,0|2,0,0]=4 1428 B13R2.328 Cc1cc(F)cc2ccncc12 Amb32682330 [1,1,0,0,0,0|2,0,0]=4 1429 B13R2.328 Cc1cc(F)cc2cnccc12 Amb25210290 [1,1,0,0,0,0|2,0,0]=4 1430 B13R2.328 Cc1cc(N)c2cnccc2c1 Amb32650248 [1,1,0,0,0,0|2,0,0]=4 1431 B13R2.328 Cc1cc(O)cc2ccccc12 Amb18645052 [1,1,0,0,0,0|2,0,0]=4 1432 B13R2.328 Cc1cc(O)cc2ccncc12 Amb27862395 [1,1,0,0,0,0|1,0,1]=4 1433 B13R2.328 Clc1cc(Br)c2ccncc2c1 Amb19100705 [1,1,0,0,0,0|2,0,0]=4 1434 B13R2.328 Clc1cc(Br)c2cnccc2c1 Amb32684914 [1,1,0,0,0,0|2,0,0]=4 1435 B13R2.328 Clc1cc(Br)cc2ccncc12 Amb25357490 [1,1,0,0,0,0|2,0,0]=4 1436 B13R2.328 Clc1cc(Br)cc2cnccc12 Amb32670340 [1,1,0,0,0,0|2,0,0]=4 1437 B13R2.328 Clc1cc(Cl)c2ccncc2c1 Amb18349246 [1,1,0,0,0,0|2,0,0]=4 1438 B13R2.328 Clc1cc(Cl)c2cnccc2n1 Amb24359178 [1,1,0,0,0,0|1,0,1]=4 1439 B13R2.328 Fc1cc(Br)c2ccncc2c1 Amb19100702 [1,1,0,0,0,0|2,0,0]=4 1440 B13R2.328 Fc1cc(Br)c2cnccc2c1 Amb27236151 [1,1,0,0,0,0|2,0,0]=4 1441 B13R2.328 Fc1cc(Br)cc2ccncc12 Amb24183409 [1,1,0,0,0,0|2,0,0]=4 1442 B13R2.328 Fc1cc(Br)cc2cnccc12 Amb32666913 [1,1,0,0,0,0|2,0,0]=4 1443 B13R2.328 Fc1cc(Cl)c2ccncc2c1 Amb25765988 [1,1,0,0,0,0|2,0,0]=4 1444 B13R2.328 Fc1cc(Cl)c2cnccc2c1 Amb25045399 [1,1,0,0,0,0|2,0,0]=4 1445 B13R2.328 Fc1cc(Cl)cc2cnccc12 Amb27448653 [1,1,0,0,0,0|2,0,0]=4 1446 B13R2.328 Fc1cc(F)c2ccncc2c1 Amb18349227 [1,1,0,0,0,0|2,0,0]=4 1447 B13R2.328 Fc1cc(F)c2cnccc2c1 Amb19100602 [1,1,0,0,0,0|2,0,0]=4 1448 B13R2.328 NC1=CC(=O)Nc2ccccc21 Amb18645325 [1,1,0,0,0,0|1,0,0]=3 1449 B13R2.328 NC1=CC(=O)Oc2ccccc21 Amb18645456 [1,1,0,0,0,0|2,0,0]=4 1450 B13R2.328 NC1=CC(=O)c2ccccc2N1 Amb21856421 [1,1,0,0,0,0|2,0,0]=4 1451 B13R2.328 NC1=NC(=O)Nc2cnncc21 Amb27597978 [1,1,0,0,0,0|2,0,0]=4 1452 B13R2.328 NN1CC(=O)Nc2ccncc21 Amb27963253 [1,1,0,0,0,0|1,0,1]=4 1453 B13R2.328 Nc1cc(O)cc2ccccc12 Amb18048469 [1,1,0,0,0,0|2,0,0]=4 1454 B13R2.328 O=C1C=C(Br)c2ccccc2N1 Amb21520307 [1,1,0,0,0,0|1,0,0]=3 1455 B13R2.328 O=C1C=C(Br)c2ccccc2O1 Amb20248285 [1,1,0,0,0,0|2,0,0]=4 1456 B13R2.328 O=C1C=C(Br)c2ccncc2N1 Amb25864668 [1,1,0,0,0,0|2,0,0]=4 1457 B13R2.328 O=C1C=C(Cl)Nc2ccccc21 Amb22500808 [1,1,0,0,0,0|2,0,0]=4 1458 B13R2.328 O=C1C=C(Cl)c2ccccc2N1 Amb19516664 [1,1,0,0,0,0|1,0,0]=3 1459 B13R2.328 O=C1C=C(Cl)c2ccccc2O1 Amb20414537 [1,1,0,0,0,0|2,0,0]=4 1460 B13R2.328 O=C1C=C(Cl)c2cccnc2N1 Amb22753696 [1,1,0,0,0,0|2,0,0]=4 1461 B13R2.328 O=C1C=C(Cl)c2ccncc2N1 Amb33456380 [1,1,0,0,0,0|2,0,0]=4 1462 B13R2.328 O=C1C=C(F)c2ccccc2N1 Amb26375660 [1,1,0,0,0,0|1,0,0]=3 1463 B13R2.328 O=C1C=C(I)c2ccccc2O1 Amb27442019 [1,1,0,0,0,0|2,0,0]=4 1464 B13R2.328 O=C1C=C(O)c2ccccc2N1 Amb18002636 [1,1,0,0,0,0|1,0,0]=3 1465 B13R2.328 O=C1C=C(O)c2ccccc2O1 Amb18372000 [1,1,0,0,0,0|2,0,0]=4 1466 B13R2.328 O=C1C=C(O)c2ccccc2S1 Amb19517275 [1,1,0,0,0,0|2,0,0]=4 1467 B13R2.328 O=C1C=C(O)c2cccnc2N1 Amb20662029 [1,1,0,0,0,0|2,0,0]=4 1468 B13R2.328 O=C1C=C(O)c2ccncc2N1 Amb22494124 [1,1,0,0,0,0|2,0,0]=4 1469 B13R2.328 O=C1C=C(O)c2ncccc2N1 Amb22372203 [1,1,0,0,0,0|2,0,0]=4 1470 B13R2.328 O=C1C=C(S)c2ccccc2O1 Amb24446596 [1,1,0,0,0,0|2,0,0]=4 1471 B13R2.328 O=C1C=C([O-])[n+]2ccccc2N1 Amb20415253 [1,1,0,0,0,0|2,0,0]=4 1472 B13R2.328 O=C1C=C([O-])c2ccccc2N1 Amb22731733 [1,1,0,0,0,0|1,0,0]=3 1473 B13R2.328 O=C1CC(=O)c2ccccc2N1 Amb22263121 [1,1,0,0,0,0|1,0,1]=4 1474 B13R2.328 O=C1CS(=O)c2cnccc2N1 Amb28144000 [1,1,0,0,0,0|1,0,1]=4 1475 B13R2.328 O=C1N=C(Cl)c2ccccc2N1 Amb22371858 [1,1,0,0,0,0|2,0,0]=4 1476 B13R2.328 O=C1NC(=O)c2ccccc2N1 Amb18005794 [1,1,0,0,0,0|2,0,0]=4 1477 B13R2.328 O=C1NC(=O)c2cnccc2N1 Amb22234336 [1,1,0,0,0,0|1,0,0]=3 1478 B13R2.328 O=C1NC(=O)c2cnncc2N1 Amb19957627 [1,1,0,0,0,0|2,0,0]=4 1479 B13R2.328 O=C1Nc2ccccc2C(=O)O1 Amb18183505 [1,1,0,0,0,0|2,0,0]=4 1480 B13R2.328 Oc1cc(Br)c2ccccc2c1 Amb17596081 [1,1,0,0,0,0|2,0,0]=4 1481 B13R2.328 Oc1cc(Br)c2cnccc2c1 Amb26050067 [1,1,0,0,0,0|1,0,1]=4 1482 B13R2.328 Oc1cc(Br)c2cnccc2c1 Amb33483684 [1,1,0,0,0,0|1,0,1]=4 1483 B13R2.328 Oc1cc(F)c2ccccc2c1 Amb26843113 [1,1,0,0,0,0|2,0,0]=4 1484 B13R2.328 Oc1cc(I)c2ccccc2c1 Amb26850789 [1,1,0,0,0,0|2,0,0]=4 1485 B13R2.328 Oc1cc(O)c2ccccc2c1 Amb6357421 [1,1,0,0,0,0|2,0,0]=4 1486 B13R2.328 Oc1cc(O)c2cnccc2n1 Amb18645591 [1,1,0,0,0,0|0,0,2]=4 1487 B13R2.328 [O-][n+]1cc(O)cc2ccccc21 Amb25873892 [1,1,0,0,0,0|1,0,1]=4 1488 B13R2.3683 Brc1ccc2cc(Br)ncc2c1 Amb27208548 [1,1,0,0,0,0|2,0,0]=4 1489 B13R2.3683 Cc1cc2ccc(Br)cc2cn1 Amb23401097 [1,1,0,0,0,0|2,0,0]=4 1490 B13R2.3683 Cc1cc2ccc(Cl)cc2cn1 Amb27959160 [1,1,0,0,0,0|2,0,0]=4 1491 B13R2.3683 Cc1cc2ccc(F)cc2cn1 Amb32684120 [1,1,0,0,0,0|2,0,0]=4 1492 B13R2.3683 Cc1cc2ccc(N)cc2cn1 Amb25687409 [1,1,0,0,0,0|2,0,0]=4 1493 B13R2.3683 Cc1cc2ccc(O)cc2cn1 Amb18645159 [1,1,0,0,0,0|1,0,0]=3 1494 B13R2.3683 Cc1ccc2c(c1)C=CC(=O)N2 Amb18546035 [1,1,0,0,0,0|1,0,0]=3 1495 B13R2.3683 Cc1ccc2c(c1)C=CC(=O)O2 Amb18511482 [1,1,0,0,0,0|2,0,0]=4 1496 B13R2.3683 Cc1ccc2c(c1)C=NC(=O)N2 Amb24741810 [1,1,0,0,0,0|2,0,0]=4 1497 B13R2.3683 Cc1ccc2cc(Cl)ncc2c1 Amb20171137 [1,1,0,0,0,0|2,0,0]=4 1498 B13R2.3683 Cc1ccc2cc(O)ccc2c1 Amb21964548 [1,1,0,0,0,0|2,0,0]=4 1499 B13R2.3683 Cc1ccc2cc(O)cnc2c1 Amb24407164 [1,1,0,0,0,0|1,0,1]=4 1500 B13R2.3683 Clc1cc2ccc(Br)cc2cn1 Amb16185769 [1,1,0,0,0,0|2,0,0]=4 1501 B13R2.3683 Clc1cc2ncc(Br)cc2cn1 Amb27662190 [1,1,0,0,0,0|1,0,1]=4 1502 B13R2.3683 Clc1ccc2cc(Br)ncc2c1 Amb21927751 [1,1,0,0,0,0|2,0,0]=4 1503 B13R2.3683 Clc1ccc2cc(Cl)ncc2c1 Amb22498303 [1,1,0,0,0,0|2,0,0]=4 1504 B13R2.3683 Fc1ccc2cc(Cl)ncc2c1 Amb24099957 [1,1,0,0,0,0|2,0,0]=4 1505 B13R2.3683 Fc1ccc2cc(F)ncc2c1 Amb27968064 [1,1,0,0,0,0|2,0,0]=4 1506 B13R2.3683 Nc1cc2ccc(Br)cc2cn1 Amb19957600 [1,1,0,0,0,0|2,0,0]=4 1507 B13R2.3683 Nc1cc2ccc(Cl)cc2cn1 Amb22499619 [1,1,0,0,0,0|2,0,0]=4 1508 B13R2.3683 Nc1cc2ccc(F)cc2cn1 Amb25869874 [1,1,0,0,0,0|2,0,0]=4 1509 B13R2.3683 Nc1ccc2c(c1)C=CC(=O)N2 Amb18545101 [1,1,0,0,0,0|1,0,0]=3 1510 B13R2.3683 Nc1ccc2c(c1)C=CC(=O)O2 Amb18943698 [1,1,0,0,0,0|2,0,0]=4 1511 B13R2.3683 Nc1ccc2c(c1)C=CC(=O)O2 Amb22732663 [1,1,0,0,0,0|2,0,0]=4 1512 B13R2.3683 Nc1ccc2c(c1)C=CC(=O)S2 Amb18825000 [1,1,0,0,0,0|2,0,0]=4 1513 B13R2.3683 Nc1ccc2c(c1)N=CC(=O)N2 Amb22233899 [1,1,0,0,0,0|2,0,0]=4 1514 B13R2.3683 Nc1ccc2cc(Cl)ncc2c1 Amb22735855 [1,1,0,0,0,0|2,0,0]=4 1515 B13R2.3683 Nc1ccc2cc(O)ccc2c1 Amb17843066 [1,1,0,0,0,0|2,0,0]=4 1516 B13R2.3683 Nc1ccc2cc(O)cnc2c1 Amb22899407 [1,1,0,0,0,0|1,0,1]=4 1517 B13R2.3683 Nc1ccc2cc(O)ncc2c1 Amb22735997 [1,1,0,0,0,0|2,0,0]=4 1518 B13R2.3683 O=C1C=CC2=CC(=O)C=CC2=C1 Amb17778320 [1,1,0,0,0,0|2,0,0]=4 1519 B13R2.3683 O=C1C=Cc2cc(Br)ccc2N1 Amb17933294 [1,1,0,0,0,0|1,0,0]=3 1520 B13R2.3683 O=C1C=Cc2cc(Br)ccc2O1 Amb19957650 [1,1,0,0,0,0|2,0,0]=4 1521 B13R2.3683 O=C1C=Cc2cc(Br)cnc2N1 Amb19664780 [1,1,0,0,0,0|2,0,0]=4 1522 B13R2.3683 O=C1C=Cc2cc(Cl)ccc2N1 Amb18044542 [1,1,0,0,0,0|1,0,0]=3 1523 B13R2.3683 O=C1C=Cc2cc(Cl)cnc2N1 Amb19959273 [1,1,0,0,0,0|2,0,0]=4 1524 B13R2.3683 O=C1C=Cc2cc(Cl)ncc2N1 Amb22002290 [1,1,0,0,0,0|2,0,0]=4 1525 B13R2.3683 O=C1C=Cc2cc(F)ccc2N1 Amb17933800 [1,1,0,0,0,0|1,0,0]=3 1526 B13R2.3683 O=C1C=Cc2cc(I)ccc2O1 Amb27462170 [1,1,0,0,0,0|2,0,0]=4 1527 B13R2.3683 O=C1C=Cc2cc(O)ccc2N1 Amb18645437 [1,1,0,0,0,0|1,0,0]=3 1528 B13R2.3683 O=C1C=Cc2cc(O)ccc2O1 Amb18511478 [1,1,0,0,0,0|2,0,0]=4 1529 B13R2.3683 O=C1C=Cc2cc(O)ccc2S1 Amb28253939 [1,1,0,0,0,0|2,0,0]=4 1530 B13R2.3683 O=C1C=Cc2nc(Br)ccc2N1 Amb28399578 [1,1,0,0,0,0|2,0,0]=4 1531 B13R2.3683 O=C1C=Cc2nc(Cl)ccc2N1 Amb24717025 [1,1,0,0,0,0|2,0,0]=4 1532 B13R2.3683 O=C1C=Nc2cc(Br)ccc2N1 Amb20241318 [1,1,0,0,0,0|2,0,0]=4 1533 B13R2.3683 O=C1C=Nc2cc(Cl)ccc2N1 Amb19957505 [1,1,0,0,0,0|2,0,0]=4 1534 B13R2.3683 O=C1C=Nc2cc(F)ccc2N1 Amb19957557 [1,1,0,0,0,0|2,0,0]=4 1535 B13R2.3683 O=C1N=Cc2cc(Br)ccc2N1 Amb21858215 [1,1,0,0,0,0|2,0,0]=4 1536 B13R2.3683 Oc1cc2ccc(Br)cc2cn1 Amb16185814 [1,1,0,0,0,0|2,0,0]=4 1537 B13R2.3683 Oc1cc2ccc(F)cc2cn1 Amb25127158 [1,1,0,0,0,0|2,0,0]=4 1538 B13R2.3683 Oc1ccc2cc(Br)ccc2c1 Amb1333685 [1,1,0,0,0,0|2,0,0]=4 1539 B13R2.3683 Oc1ccc2cc(Cl)ccc2c1 Amb17777189 [1,1,0,0,0,0|2,0,0]=4 1540 B13R2.3683 Oc1ccc2cc(Cl)ncc2c1 Amb22735857 [1,1,0,0,0,0|1,0,0]=3 1541 B13R2.3683 Oc1ccc2cc(F)ccc2c1 Amb22751763 [1,1,0,0,0,0|2,0,0]=4 1542 B13R2.3683 Oc1ccc2cc(I)ccc2c1 Amb25669689 [1,1,0,0,0,0|2,0,0]=4 1543 B13R2.3683 Oc1ccc2cc(O)ccc2c1 Amb2708568 [1,1,0,0,0,0|2,0,0]=4 1544 B13R2.3683 Oc1ccc2cc(S)ccc2c1 Amb17594487 [1,1,0,0,0,0|2,0,0]=4 1545 B13R2.3683 Oc1ccc2nc(Cl)ncc2c1 Amb23412166 [1,1,0,0,0,0|2,0,0]=4 1546 B13R2.3683 Oc1cnc2cc(Br)ccc2c1 Amb22494957 [1,1,0,0,0,0|1,0,1]=4 1547 B13R2.3683 Oc1cnc2cc(Cl)ccc2c1 Amb24183780 [1,1,0,0,0,0|1,0,1]=4 1548 B13R2.3683 Oc1cnc2cc(F)ccc2c1 Amb24183788 [1,1,0,0,0,0|1,0,1]=4 1549 B13R2.3683 Oc1cnc2cc(I)ccc2c1 Amb25883423 [1,1,0,0,0,0|1,0,1]=4 1550 B13R2.3683 Oc1cnc2cc(O)ccc2c1 Amb27214209 [1,1,0,0,0,0|1,0,1]=4 1551 B13R2.3683 [NH3+]c1ccc2c(c1)C=CC(=O)O2 Amb24113859 [1,1,0,0,0,0|2,0,0]=4 1552 B13R2.5179 Brc1ccc2c(Br)cncc2c1 Amb26630008 [1,1,0,0,0,0|2,0,0]=4 1553 B13R2.5179 Brc1ccc2c(Br)nccc2c1 Amb18346647 [1,1,0,0,0,0|2,0,0]=4 1554 B13R2.5179 Brc1ccc2c(Br)nccc2n1 Amb32418300 [1,1,0,0,0,0|1,0,1]=4 1555 B13R2.5179 Brc1cnc2c(Br)cncc2c1 Amb2615422 [1,1,0,0,0,0|1,0,1]=4 1556 B13R2.5179 CC1=C2C=CC(=O)N=C2C=CN1 Amb27394949 [1,1,0,0,0,0|0,0,2]=4 1557 B13R2.5179 Cc1ccc2c(Br)nccc2c1 Amb18559765 [1,1,0,0,0,0|2,0,0]=4 1558 B13R2.5179 Cc1ccc2c(C)cncc2c1 Amb27631489 [1,1,0,0,0,0|2,0,0]=4 1559 B13R2.5179 Cc1ccc2c(C)nccc2c1 Amb27962482 [1,1,0,0,0,0|2,0,0]=4 1560 B13R2.5179 Cc1ccc2c(Cl)nccc2c1 Amb17216938 [1,1,0,0,0,0|2,0,0]=4 1561 B13R2.5179 Cc1ccc2c(Cl)nccc2n1 Amb25149801 [1,1,0,0,0,0|1,0,1]=4 1562 B13R2.5179 Cc1ccc2c(N)nccc2c1 Amb17216958 [1,1,0,0,0,0|2,0,0]=4 1563 B13R2.5179 Cc1ccc2c(N)nccc2n1 Amb27802778 [1,1,0,0,0,0|1,0,1]=4 1564 B13R2.5179 Cc1ccc2c(O)cncc2c1 Amb19110675 [1,1,0,0,0,0|2,0,0]=4 1565 B13R2.5179 Cc1ccc2c(O)nccc2c1 Amb18062793 [1,1,0,0,0,0|2,0,0]=4 1566 B13R2.5179 Cc1cccc2c1C=CC(=O)O2 Amb27449737 [1,1,0,0,0,0|2,0,0]=4 1567 B13R2.5179 Cc1cccc2cc(O)cnc12 Amb27878570 [1,1,0,0,0,0|1,0,1]=4 1568 B13R2.5179 Cc1ccnc2c1C=CC(=O)N2 Amb27243880 [1,1,0,0,0,0|2,0,0]=4 1569 B13R2.5179 Cc1cncc2cc(Br)ccc12 Amb16185725 [1,1,0,0,0,0|2,0,0]=4 1570 B13R2.5179 Cc1cncc2cc(Br)cnc12 Amb23588589 [1,1,0,0,0,0|1,0,1]=4 1571 B13R2.5179 Cc1cncc2cc(Cl)ccc12 Amb27481737 [1,1,0,0,0,0|2,0,0]=4 1572 B13R2.5179 Cc1cncc2cc(N)cnc12 Amb23588588 [1,1,0,0,0,0|1,0,1]=4 1573 B13R2.5179 Cc1nccc2c1C=CC(=O)N2 Amb21927041 [1,1,0,0,0,0|0,0,0]=2 1574 B13R2.5179 Cc1nccc2c1C=CC(=S)N2 Amb28364918 [1,1,0,0,0,0|0,1,0]=3 1575 B13R2.5179 Cc1nccc2cc(Br)ccc12 Amb24088476 [1,1,0,0,0,0|2,0,0]=4 1576 B13R2.5179 Cc1nccc2cc(Cl)ccc12 Amb33210340 [1,1,0,0,0,0|2,0,0]=4 1577 B13R2.5179 Cc1nccc2cc(O)ccc12 Amb26842551 [1,1,0,0,0,0|1,0,1]=4 1578 B13R2.5179 Cc1nccc2nc(Br)ccc12 Amb27644619 [1,1,0,0,0,0|1,0,1]=4 1579 B13R2.5179 Cc1nccc2nc(Cl)ccc12 Amb2422193 [1,1,0,0,0,0|1,0,1]=4 1580 B13R2.5179 Cc1ncnc2c1C=CC(=O)N2 Amb27867354 [1,1,0,0,0,0|1,0,0]=3 1581 B13R2.5179 Cc1ncnc2c1N=CC(=O)N2 Amb27751321 [1,1,0,0,0,0|2,0,0]=4 1582 B13R2.5179 Clc1ccc2c(Br)cncc2c1 Amb24087614 [1,1,0,0,0,0|2,0,0]=4 1583 B13R2.5179 Clc1ccc2c(Br)cncc2c1 Amb32652781 [1,1,0,0,0,0|2,0,0]=4 1584 B13R2.5179 Clc1ccc2c(Br)nccc2c1 Amb18062820 [1,1,0,0,0,0|2,0,0]=4 1585 B13R2.5179 Clc1ccc2c(Cl)nccc2c1 Amb17216939 [1,1,0,0,0,0|2,0,0]=4 1586 B13R2.5179 Clc1nccc2cc(Br)ccc12 Amb10603000 [1,1,0,0,0,0|2,0,0]=4 1587 B13R2.5179 Clc1nccc2nc(Br)ccc12 Amb27268275 [1,1,0,0,0,0|1,0,1]=4 1588 B13R2.5179 Fc1ccc2c(Br)cncc2c1 Amb24183781 [1,1,0,0,0,0|2,0,0]=4 1589 B13R2.5179 Fc1ccc2c(Br)nccc2c1 Amb18062819 [1,1,0,0,0,0|2,0,0]=4 1590 B13R2.5179 Fc1ccc2c(Cl)nccc2c1 Amb17216957 [1,1,0,0,0,0|2,0,0]=4 1591 B13R2.5179 Nc1ccc2c(Br)cncc2c1 Amb24183745 [1,1,0,0,0,0|2,0,0]=4 1592 B13R2.5179 Nc1ccc2c(Cl)cncc2c1 Amb25249864 [1,1,0,0,0,0|2,0,0]=4 1593 B13R2.5179 Nc1ccc2c(Cl)nccc2c1 Amb21857610 [1,1,0,0,0,0|2,0,0]=4 1594 B13R2.5179 Nc1ccc2c(Cl)nccc2c1 Amb24117930 [1,1,0,0,0,0|2,0,0]=4 1595 B13R2.5179 Nc1ccc2c(O)nccc2c1 Amb21856970 [1,1,0,0,0,0|2,0,0]=4 1596 B13R2.5179 Nc1cccc2c1C=CC(=O)N2 Amb22500953 [1,1,0,0,0,0|1,0,0]=3 1597 B13R2.5179 Nc1cccc2cc(O)ccc12 Amb2776482 [1,1,0,0,0,0|2,0,0]=4 1598 B13R2.5179 Nc1cccc2cc(O)cnc12 Amb24183774 [1,1,0,0,0,0|1,0,1]=4 1599 B13R2.5179 Nc1cnc2c(N)cncc2c1 Amb27855264 [1,1,0,0,0,0|1,0,1]=4 1600 B13R2.5179 Nc1cncc2cc(Cl)ccc12 Amb18357193 [1,1,0,0,0,0|2,0,0]=4 1601 B13R2.5179 Nc1cncc2cc(F)ccc12 Amb24183785 [1,1,0,0,0,0|2,0,0]=4 1602 B13R2.5179 Nc1nccc2cc(Br)ccc12 Amb10603030 [1,1,0,0,0,0|2,0,0]=4 1603 B13R2.5179 Nc1nccc2cc(Cl)ccc12 Amb17216959 [1,1,0,0,0,0|2,0,0]=4 1604 B13R2.5179 Nc1nccc2cc(F)ccc12 Amb17216978 [1,1,0,0,0,0|2,0,0]=4 1605 B13R2.5179 Nc1nccc2cc(I)ccc12 Amb17216960 [1,1,0,0,0,0|2,0,0]=4 1606 B13R2.5179 Nc1ncnc2c1N=CC(=O)N2 Amb18645779 [1,1,0,0,0,0|2,0,0]=4 1607 B13R2.5179 O=C1C=CC2=C(C=CCC2=O)O1 Amb27441851 [1,1,0,0,0,0|2,0,0]=4 1608 B13R2.5179 O=C1C=Cc2c(Br)cccc2N1 Amb22263039 [1,1,0,0,0,0|1,0,0]=3 1609 B13R2.5179 O=C1C=Cc2c(Br)cccc2O1 Amb24682464 [1,1,0,0,0,0|2,0,0]=4 1610 B13R2.5179 O=C1C=Cc2c(Cl)cccc2O1 Amb24368459 [1,1,0,0,0,0|2,0,0]=4 1611 B13R2.5179 O=C1C=Cc2c(Cl)ccnc2N1 Amb27860185 [1,1,0,0,0,0|2,0,0]=4 1612 B13R2.5179 O=C1C=Cc2c(F)cccc2O1 Amb24675426 [1,1,0,0,0,0|2,0,0]=4 1613 B13R2.5179 O=C1C=Cc2c(I)cccc2O1 Amb27635036 [1,1,0,0,0,0|2,0,0]=4 1614 B13R2.5179 O=C1C=Cc2c(O)cccc2N1 Amb17933814 [1,1,0,0,0,0|1,0,0]=3 1615 B13R2.5179 O=C1C=Cc2c(O)cncc2N1 Amb18645583 [1,1,0,0,0,0|2,0,0]=4 1616 B13R2.5179 O=C1C=Cc2c(ccnc2Br)N1 Amb22754891 [1,1,0,0,0,0|0,0,0]=2 1617 B13R2.5179 O=C1C=Cc2c(ccnc2Cl)N1 Amb24658274 [1,1,0,0,0,0|0,0,0]=2 1618 B13R2.5179 O=C1C=Nc2c(Br)cccc2N1 Amb26895498 [1,1,0,0,0,0|2,0,0]=4 1619 B13R2.5179 O=C1C=Nc2c(ccnc2Cl)N1 Amb25942655 [1,1,0,0,0,0|1,0,0]=3 1620 B13R2.5179 O=C1COc2c(ccnc2Br)N1 Amb28119161 [1,1,0,0,0,0|1,0,1]=4 1621 B13R2.5179 O=C1COc2c(ccnc2Cl)N1 Amb22899315 [1,1,0,0,0,0|1,0,1]=4 1622 B13R2.5179 O=C1N=Cc2c(Cl)cccc2N1 Amb24532716 [1,1,0,0,0,0|2,0,0]=4 1623 B13R2.5179 O=C1NN=Cc2cc(O)ccc21 Amb32658726 [1,1,0,0,0,0|2,0,0]=4 1624 B13R2.5179 Oc1ccc2c(Br)cccc2c1 Amb17596082 [1,1,0,0,0,0|2,0,0]=4 1625 B13R2.5179 Oc1ccc2c(Br)cncc2c1 Amb30633582 [1,1,0,0,0,0|1,0,0]=3 1626 B13R2.5179 Oc1ccc2c(Cl)cccc2c1 Amb17594575 [1,1,0,0,0,0|2,0,0]=4 1627 B13R2.5179 Oc1ccc2c(Cl)cncc2c1 Amb30633823 [1,1,0,0,0,0|1,0,0]=3 1628 B13R2.5179 Oc1ccc2c(Cl)nccc2c1 Amb26373442 [1,1,0,0,0,0|1,0,1]=4 1629 B13R2.5179 Oc1ccc2c(F)cccc2c1 Amb28342977 [1,1,0,0,0,0|2,0,0]=4 1630 B13R2.5179 Oc1ccc2c(I)cccc2c1 Amb25883430 [1,1,0,0,0,0|2,0,0]=4 1631 B13R2.5179 Oc1ccc2c(O)cccc2c1 Amb6357829 [1,1,0,0,0,0|2,0,0]=4 1632 B13R2.5179 Oc1ccc2c(O)nccc2n1 Amb32418299 [1,1,0,0,0,0|0,0,2]=4 1633 B13R2.5179 Oc1cnc2c(Br)cccc2c1 Amb22494958 [1,1,0,0,0,0|1,0,1]=4 1634 B13R2.5179 Oc1cnc2c(Cl)cccc2c1 Amb24183739 [1,1,0,0,0,0|1,0,1]=4 1635 B13R2.5179 Oc1cnc2c(F)cccc2c1 Amb22899408 [1,1,0,0,0,0|1,0,1]=4 1636 B13R2.5179 Oc1cnc2c(O)cccc2c1 Amb27175611 [1,1,0,0,0,0|1,0,1]=4 1637 B13R2.5179 Oc1cncc2cc(Br)ccc12 Amb22739814 [1,1,0,0,0,0|2,0,0]=4 1638 B13R2.5179 Oc1nccc2cc(Br)ccc12 Amb18062794 [1,1,0,0,0,0|2,0,0]=4 1639 B13R2.5179 Oc1nccc2cc(Cl)ccc12 Amb18062798 [1,1,0,0,0,0|2,0,0]=4 1640 B13R2.5179 Oc1nccc2cc(F)ccc12 Amb18062797 [1,1,0,0,0,0|2,0,0]=4 1641 B13R2.5179 Oc1nccc2nc(Br)ccc12 Amb26368243 [1,1,0,0,0,0|1,0,1]=4 1642 B13R2.45 CCC1=Cc2ccccc2C1=O Amb27177754 [0,1,0,0,1,0|2,0,0]=4 1643 B13R2.45 COC1=Nc2ccccc2C1=O Amb28122389 [0,1,0,0,1,0|2,0,0]=4 1644 B13R2.45 Cc1c(C=O)sc2ccncc12 Amb18141158 [0,1,0,0,1,0|2,0,0]=4 1645 B13R2.45 NCC1=Cc2ccccc2C1=O Amb27466253 [0,1,0,0,1,0|2,0,0]=4 1646 B13R2.45 O=C1C(CO)=Cc2ccccc21 Amb27805332 [0,1,0,0,1,0|1,0,0]=3 1647 B13R2.45 O=C1\C(=C\O)Nc2ccccc21 Amb27175913 [0,1,0,0,1,0|2,0,0]=4 1648 B13R2.45 O=C1\C(=N/O)Cc2ccccc21 Amb2610323 [0,1,0,0,1,0|1,0,1]=4 1649 B13R2.45 O=C1\C(=N\O)Cc2ccccc21 Amb22348033 [0,1,0,0,1,0|1,0,1]=4 1650 B13R2.45 O=Cc1oc2ccccc2c1O Amb27636087 [0,1,0,0,1,0|2,0,0]=4 1651 B13R2.45 O=Cc1oc2ccncc2c1Cl Amb18823882 [0,1,0,0,1,0|2,0,0]=4 1652 B13R2.45 O=Cc1sc2ccccc2c1O Amb4303853 [0,1,0,0,1,0|2,0,0]=4 1653 B13R2.45 O=Cc1sc2ccncc2c1Br Amb18156162 [0,1,0,0,1,0|2,0,0]=4 1654 B13R2.45 O=Cc1sc2ccncc2c1Cl Amb18812039 [0,1,0,0,1,0|2,0,0]=4 1655 B13R2.135 CO[C@H]1C(=O)Nc2ccccc21 Amb28396684 [0,1,0,0,1,0|1,0,1]=4 1656 B13R2.135 N\C=C1\C(=O)Nc2ccccc21 Amb27204232 [0,1,0,0,1,0|2,0,0]=4 1657 B13R2.135 N\N=C1/C(=O)Nc2ccccc21 Amb19959966 [0,1,0,0,1,0|2,0,0]=4 1658 B13R2.135 O=C1Cc2ccccc2\C1=C\O Amb28122463 [0,1,0,0,1,0|2,0,0]=4 1659 B13R2.135 O=C1Nc2ccccc2\C1=C/O Amb25917825 [0,1,0,0,1,0|1,0,0]=3 1660 B13R2.135 O=C1Nc2ccccc2\C1=C\O Amb22494713 [0,1,0,0,1,0|1,0,0]=3 1661 B13R2.135 O=C1Nc2ccccc2\C1=N/O Amb2221666 [0,1,0,0,1,0|1,0,0]=3 1662 B13R2.135 O=C1Nc2ccccc2\C1=N\O Amb19959979 [0,1,0,0,1,0|1,0,0]=3 1663 B13R2.135 O=C1Oc2ccccc2\C1=C/O Amb27652914 [0,1,0,0,1,0|2,0,0]=4 1664 B13R2.135 O=C1Sc2ccccc2\C1=C/O Amb27270923 [0,1,0,0,1,0|2,0,0]=4 1665 B13R2.135 [N-]=[N+]=C1C(=O)Nc2ccccc21 Amb4016311 [0,1,0,0,1,0|2,0,0]=4 1666 B13R2.359 CC1(C)C(=O)Nc2ccncc21 Amb24330716 [0,1,0,0,1,0|1,0,1]=4 1667 B13R2.359 CC1(O)C(=O)Nc2ccccc21 Amb22059446 [0,1,0,0,1,0|1,0,1]=4 1668 B13R2.359 C[C@@]1(O)C(=O)Nc2ccccc21 Amb27169490 [0,1,0,0,1,0|1,0,1]=4 1669 B13R2.359 C[C@]1(O)C(=O)Nc2ccccc21 Amb27390191 [0,1,0,0,1,0|1,0,1]=4 1670 B13R2.3028 C=C1C(=O)Nc2ccc(C)cc21 Amb25150884 [0,1,0,0,1,0|2,0,0]=4 1671 B13R2.3028 C=C1C(=O)Nc2ccc(Cl)cc21 Amb27785575 [0,1,0,0,1,0|2,0,0]=4 1672 B13R2.3028 C=C1C(=O)Nc2ccc(F)cc21 Amb27769973 [0,1,0,0,1,0|2,0,0]=4 1673 B13R2.3028 CC1=Cc2ccc(Cl)cc2C1=O Amb22753539 [0,1,0,0,1,0|2,0,0]=4 1674 B13R2.3028 Cc1ccc2c(c1)C(=N)C(=O)N2 Amb28243867 [0,1,0,0,1,0|2,0,0]=4 1675 B13R2.3028 Cc1ccc2c(c1)C(=O)C(=O)N2 Amb6355801 [0,1,0,0,1,0|1,0,1]=4 1676 B13R2.3028 Cc1ccc2c(c1)C(O)C(=O)N2 Amb6705754 [0,1,0,0,1,0|1,0,1]=4 1677 B13R2.3028 Nc1ccc2c(c1)C(=O)C(=O)N2 Amb6298390 [0,1,0,0,1,0|1,0,1]=4 1678 B13R2.3028 O=C1C(Br)=Cc2ccc(Br)cc21 Amb28138101 [0,1,0,0,1,0|2,0,0]=4 1679 B13R2.3028 O=C1C(O)=Nc2ccc(Br)cc21 Amb1351906 [0,1,0,0,1,0|2,0,0]=4 1680 B13R2.3028 O=C1C(O)=Nc2ccc(F)cc21 Amb19860944 [0,1,0,0,1,0|2,0,0]=4 1681 B13R2.3028 O=C1Nc2ccc(Br)cc2C1=O Amb6364736 [0,1,0,0,1,0|1,0,1]=4 1682 B13R2.3028 O=C1Nc2ccc(Br)cc2C1O Amb2734958 [0,1,0,0,1,0|1,0,1]=4 1683 B13R2.3028 O=C1Nc2ccc(Cl)cc2C1=O Amb6335221 [0,1,0,0,1,0|1,0,1]=4 1684 B13R2.3028 O=C1Nc2ccc(Cl)cc2C1O Amb6705763 [0,1,0,0,1,0|1,0,1]=4 1685 B13R2.3028 O=C1Nc2ccc(F)cc2C1=O Amb6315494 [0,1,0,0,1,0|1,0,1]=4 1686 B13R2.3028 O=C1Nc2ccc(F)cc2C1O Amb9748247 [0,1,0,0,1,0|1,0,1]=4 1687 B13R2.3028 O=C1Nc2ccc(I)cc2C1=O Amb1038277 [0,1,0,0,1,0|1,0,1]=4 1688 B13R2.3028 O=C1Nc2ccc(O)cc2C1=O Amb33544078 [0,1,0,0,1,0|1,0,1]=4 1689 B13R2.3085 CC1=C(C)c2ccccc2C1=O Amb27177578 [0,1,0,0,1,0|2,0,0]=4 1690 B13R2.3085 CC1=C(N)c2ccccc2C1=O Amb28127184 [0,1,0,0,1,0|2,0,0]=4 1691 B13R2.3085 CN1C(=O)C(=O)c2ccccc21 Amb6335574 [0,1,0,0,1,0|1,0,1]=4 1692 B13R2.3085 CN1C(=O)C(O)c2ccccc21 Amb2613141 [0,1,0,0,1,0|1,0,1]=4 1693 B13R2.3085 CN1C(=O)[C@@H](O)c2ccccc21 Amb27426901 [0,1,0,0,1,0|1,0,1]=4 1694 B13R2.3085 CN1C(=O)c2ccncc2C1=O Amb27658728 [0,1,0,0,1,0|2,0,0]=4 1695 B13R2.3085 Cc1c(O)c2ccccc2n1C Amb32732864 [0,1,0,0,1,0|2,0,0]=4 1696 B13R2.3085 Cn1c(=O)n(C)c2cnccc21 Amb4098463 [0,1,0,0,1,0|2,0,0]=4 1697 B13R2.3085 N=C1C(=O)c2ccccc2C1=O Amb27176138 [0,1,0,0,1,0|2,0,0]=4 1698 B13R2.3085 NN1C(=O)c2ccncc2C1=O Amb24524808 [0,1,0,0,1,0|2,0,0]=4 1699 B13R2.3085 NN1C(=O)c2ccncc2C1=O Amb32663675 [0,1,0,0,1,0|2,0,0]=4 1700 B13R2.3085 O=C1C(=O)N(Cl)c2ccccc21 Amb2720848 [0,1,0,0,1,0|1,0,1]=4 1701 B13R2.3085 O=C1C(=O)N(O)c2ccccc21 Amb27177861 [0,1,0,0,1,0|1,0,1]=4 1702 B13R2.3085 O=C1C(=O)c2ccccc2C1=O Amb18048474 [0,1,0,0,1,0|1,0,1]=4 1703 B13R2.3085 O=C1C(=O)c2ccccc2C1=O Amb22001415 [0,1,0,0,1,0|1,0,1]=4 1704 B13R2.3085 O=C1c2ccccc2C(=O)N1O Amb1351864 [0,1,0,0,1,0|2,0,0]=4 1705 B13R2.3085 O=c1n(O)c2ccccc2n1O Amb1042148 [0,1,0,0,1,0|2,0,0]=4 1706 B13R2.4825 CC1=Cc2c(F)cccc2C1=O Amb28202100 [0,1,0,0,1,0|2,0,0]=4 1707 B13R2.4825 CN1C(=O)Nc2c(Br)cncc21 Amb23559953 [0,1,0,0,1,0|2,0,0]=4 1708 B13R2.4825 Cc1cccc2c1NC(=O)C2=O Amb6315565 [0,1,0,0,1,0|1,0,1]=4 1709 B13R2.4825 Cc1cccc2c1NC(=O)C2O Amb18792463 [0,1,0,0,1,0|1,0,1]=4 1710 B13R2.4825 Nc1cccc2c1NC(=O)C2=O Amb27243910 [0,1,0,0,1,0|1,0,1]=4 1711 B13R2.4825 O=C1Nc2c(Br)cccc2C1=O Amb1103377 [0,1,0,0,1,0|1,0,1]=4 1712 B13R2.4825 O=C1Nc2c(Br)cccc2C1O Amb24706346 [0,1,0,0,1,0|1,0,1]=4 1713 B13R2.4825 O=C1Nc2c(Cl)cccc2C1=O Amb6486658 [0,1,0,0,1,0|1,0,1]=4 1714 B13R2.4825 O=C1Nc2c(Cl)cccc2C1O Amb19045341 [0,1,0,0,1,0|1,0,1]=4 1715 B13R2.4825 O=C1Nc2c(F)cccc2C1=O Amb6549905 [0,1,0,0,1,0|1,0,1]=4 1716 B13R2.4825 O=C1Nc2c(F)cccc2C1O Amb18177845 [0,1,0,0,1,0|1,0,1]=4 1717 B13R2.4825 O=C1Nc2c(F)cccc2N1O Amb27633417 [0,1,0,0,1,0|2,0,0]=4 1718 B13R2.4825 O=C1Nc2c(I)cccc2C1=O Amb33543163 [0,1,0,0,1,0|1,0,1]=4 1719 B13R2.4825 O=C1Nc2c(I)cccc2C1O Amb32677074 [0,1,0,0,1,0|1,0,1]=4 1720 B13R2.4825 O=C1Nc2c(O)cccc2C1=O Amb27590902 [0,1,0,0,1,0|1,0,1]=4 1721 B13R2.4856 C=C1C(=O)Nc2cccc(Cl)c21 Amb27831475 [0,1,0,0,1,0|2,0,0]=4 1722 B13R2.4856 CN1C(=O)Nc2ccnc(Br)c21 Amb28244235 [0,1,0,0,1,0|2,0,0]=4 1723 B13R2.4856 CN1C(=O)Nc2ccnc(N)c21 Amb18645998 [0,1,0,0,1,0|2,0,0]=4 1724 B13R2.4856 Cc1cccc2c1C(=O)C(=O)N2 Amb4140113 [0,1,0,0,1,0|1,0,1]=4 1725 B13R2.4856 Cc1cccc2c1C(O)C(=O)N2 Amb28434378 [0,1,0,0,1,0|1,0,1]=4 1726 B13R2.4856 Cc1cccc2c1N(O)C(=O)N2 Amb27633432 [0,1,0,0,1,0|2,0,0]=4 1727 B13R2.4856 Nc1cccc2c1C(=O)C(=O)N2 Amb27974583 [0,1,0,0,1,0|1,0,1]=4 1728 B13R2.4856 O=C1Nc2cccc(Br)c2C1=O Amb6374120 [0,1,0,0,1,0|1,0,1]=4 1729 B13R2.4856 O=C1Nc2cccc(Br)c2C1O Amb6705765 [0,1,0,0,1,0|1,0,1]=4 1730 B13R2.4856 O=C1Nc2cccc(Cl)c2C1=O Amb4017458 [0,1,0,0,1,0|1,0,1]=4 1731 B13R2.4856 O=C1Nc2cccc(Cl)c2C1O Amb19045343 [0,1,0,0,1,0|1,0,1]=4 1732 B13R2.4856 O=C1Nc2cccc(F)c2C1=O Amb8397161 [0,1,0,0,1,0|1,0,1]=4 1733 B13R2.4856 O=C1Nc2cccc(I)c2C1=O Amb8629770 [0,1,0,0,1,0|1,0,1]=4 1734 B13R2.5190 CC1=C2C=CC(=O)C=C2NC1=O Amb27832009 [0,1,0,0,1,0|2,0,0]=4 1735 B13R2.5190 CC1=Cc2cc(O)ccc2C1=O Amb27177971 [0,1,0,0,1,0|2,0,0]=4 1736 B13R2.5190 Cc1ccc2c(c1)NC(=O)C2=O Amb1887200 [0,1,0,0,1,0|1,0,1]=4 1737 B13R2.5190 O=C1Nc2cc(Br)ccc2C1=O Amb6374119 [0,1,0,0,1,0|1,0,1]=4 1738 B13R2.5190 O=C1Nc2cc(Br)ccc2C1O Amb6705762 [0,1,0,0,1,0|1,0,1]=4 1739 B13R2.5190 O=C1Nc2cc(Cl)ccc2C1=O Amb2786130 [0,1,0,0,1,0|1,0,1]=4 1740 B13R2.5190 O=C1Nc2cc(Cl)ccc2C1=S Amb28074077 [0,1,0,0,1,0|1,1,0]=4 1741 B13R2.5190 O=C1Nc2cc(F)ccc2C1=O Amb1155086 [0,1,0,0,1,0|1,0,1]=4 1742 B13R2.5190 O=C1Nc2cc(F)ccc2C1O Amb9748287 [0,1,0,0,1,0|1,0,1]=4 1743 B13R2.5190 O=C1Nc2cc(I)ccc2C1=O Amb8629769 [0,1,0,0,1,0|1,0,1]=4 1744 B13R2.5190 O=C1Nc2cc(O)ccc2C1=O Amb6306510 [0,1,0,0,1,0|1,0,1]=4 1745 B13R2.599 COC1=CC2=CC=NC2=CC1=O Amb28144218 [0,1,0,0,1,0|2,0,0]=4 1746 B13R2.599 COC1=Cn2nccc2NC1=O Amb24525698 [0,1,0,0,1,0|1,0,0]=3 1747 B13R2.599 COC1=Cn2ncnc2NC1=O Amb25051830 [0,1,0,0,1,0|2,0,0]=4 1748 B13R2.599 N#CC1=Cc2sccc2NC1=O Amb18647966 [0,1,0,0,1,0|2,0,0]=4 1749 B13R2.599 O=CC1=CC2=NC=CC2=NC1=O Amb27752357 [0,1,0,0,1,0|0,0,2]=4 1750 B13R2.599 O=Cc1cc2ccsc2cc1O Amb18824897 [0,1,0,0,1,0|2,0,0]=4 1751 B13R2.4899 CC1=C(C)n2nccc2NC1=O Amb27416569 [0,1,0,0,1,0|2,0,0]=4 1752 B13R2.4899 CC1=C(N)n2nccc2NC1=O Amb33357729 [0,1,0,0,1,0|2,0,0]=4 1753 B13R2.4899 CC1=C(O)C(=O)C=C2C=CN=C21 Amb27262871 [0,1,0,0,1,0|1,0,0]=3 1754 B13R2.4899 CC1=C(O)c2sccc2NC1=O Amb24470831 [0,1,0,0,1,0|2,0,0]=4 1755 B13R2.4899 O=C1Nc2ccnn2C(O)=C1F Amb33345854 [0,1,0,0,1,0|2,0,0]=4 1756 B13R2.4899 O=C1Nc2scnc2C(=O)N1O Amb27828550 [0,1,0,0,1,0|2,0,0]=4 1757 B13R2.11634 Cc1noc2c1C=C(O)C(=O)N2 Amb27411869 [0,1,0,0,1,0|1,0,0]=3 1758 B13R2.11634 Cc1noc2c1NC(=O)C(O)=C2 Amb27646588 [0,1,0,0,1,0|1,0,0]=3 1759 B13R2.11634 Cc1onc2c1C=C(O)C(=O)N2 Amb27770135 [0,1,0,0,1,0|2,0,0]=4 1760 B13R2.11634 Cn1ncc2c1NC(=O)C(Br)=C2 Amb23557009 [0,1,0,0,1,0|2,0,0]=4 1761 B13R2.11634 Cn1ncc2c1NC(=O)C(Cl)=C2 Amb23509973 [0,1,0,0,1,0|2,0,0]=4 1762 B13R2.11634 Cn1ncc2c1NC(=O)C(I)=C2 Amb28318421 [0,1,0,0,1,0|2,0,0]=4 1763 B13R2.11634 Cn1ncc2c1NC(=O)C(O)=C2 Amb27873488 [0,1,0,0,1,0|1,0,0]=3 1764 B13R2.13083 Cc1cc2c(o1)C=C(O)C(=O)N2 Amb28366674 [0,1,0,0,1,0|1,0,0]=3 1765 B13R2.13083 Cc1cc2c(s1)C=C(O)C(=O)N2 Amb28208444 [0,1,0,0,1,0|1,0,0]=3 1766 B13R2.13083 Cc1nc2c(o1)NC(=O)C(O)=C2 Amb27646582 [0,1,0,0,1,0|1,0,0]=3 1767 B15R2.2114 N#CC1=CNc2ccccc2NC1=O Amb17750302 [0,1,0,0,0,1|2,0,0]=4 1768 B15R2.117 COc1cc2ccccc2cc1C=O Amb18649283 [0,2,0,0,0,0|2,0,0]=4 1769 B15R2.117 COc1cc2ccccc2nc1C=O Amb27388258 [0,2,0,0,0,0|1,0,1]=4 1770 B15R2.117 COc1cc2ccncc2cc1OC Amb1152850 [0,2,0,0,0,0|1,0,1]=4 1771 B15R2.274 CC1=C(C#N)C(=O)Nc2ccccc21 Amb18648878 [0,2,0,0,0,0|2,0,0]=4 1772 B15R2.274 CC1=C(CN)C(=O)Nc2ccccc21 Amb23571584 [0,2,0,0,0,0|2,0,0]=4 1773 B15R2.274 CCC1=C(N)c2ccccc2NC1=O Amb18649966 [0,2,0,0,0,0|2,0,0]=4 1774 B15R2.274 CCC1=C(O)c2ccccc2NC1=O Amb19667948 [0,2,0,0,0,0|2,0,0]=4 1775 B15R2.274 COC1=C(C)c2cccnc2NC1=O Amb27403561 [0,2,0,0,0,0|2,0,0]=4 1776 B15R2.274 COC1=C(O)c2ccccc2OC1=O Amb22753606 [0,2,0,0,0,0|2,0,0]=4 1777 B15R2.274 CON1C(=O)Nc2ccccc2C1=O Amb28183753 [0,2,0,0,0,0|2,0,0]=4 1778 B15R2.274 N#CC1=C(Cl)c2ccccc2NC1=O Amb19894803 [0,2,0,0,0,0|2,0,0]=4 1779 B15R2.274 N#CC1=C(N)c2ccccc2NC1=O Amb18548454 [0,2,0,0,0,0|2,0,0]=4 1780 B15R2.274 N#CC1=C(O)c2ccccc2NC1=O Amb19665378 [0,2,0,0,0,0|2,0,0]=4 1781 B15R2.274 O=C1Nc2ccccc2C(=O)\C1=N\O Amb22520701 [0,2,0,0,0,0|1,0,0]=3 1782 B15R2.274 O=C1Oc2ccccc2C(=O)\C1=C/O Amb27658450 [0,2,0,0,0,0|2,0,0]=4 1783 B15R2.274 O=NC1=C(O)c2ccccc2NC1=O Amb27403552 [0,2,0,0,0,0|1,0,1]=4 1784 B15R2.274 [N-]=[N+]=C1C(=O)Nc2ccccc2C1=O Amb27640952 [0,2,0,0,0,0|2,0,0]=4 1785 B15R2.888 CCCC1=Cc2ccccc2NC1=O Amb28058881 [0,2,0,0,0,0|2,0,0]=4 1786 B15R2.888 CCOC1=Nc2ccccc2NC1=O Amb19651674 [0,2,0,0,0,0|2,0,0]=4 1787 B15R2.888 CNCC1=Cc2ccccc2NC1=O Amb18563363 [0,2,0,0,0,0|2,0,0]=4 1788 B15R2.888 CSCC1=Cc2ccccc2NC1=O Amb27145551 [0,2,0,0,0,0|1,1,0]=4 1789 B15R2.888 N#CCC1=Cc2ccccc2NC1=O Amb18528574 [0,2,0,0,0,0|2,0,0]=4 1790 B15R2.888 NCCC1=Cc2ccccc2NC1=O Amb18010538 [0,2,0,0,0,0|2,0,0]=4 1791 B15R2.888 NCCC1=Cc2ccccc2NC1=O Amb18909682 [0,2,0,0,0,0|2,0,0]=4 1792 B15R2.888 O=C1N=c2ccccc2=C\C1=C\NO Amb22270131 [0,2,0,0,0,0|1,0,1]=4 1793 B15R2.888 O=C1Nc2ccccc2C=C1CCCl Amb22723323 [0,2,0,0,0,0|2,0,0]=4 1794 B15R2.888 O=C1Nc2ccccc2C=C1\C=N\O Amb19372570 [0,2,0,0,0,0|1,0,0]=3 1795 B15R2.888 O=C1Nc2ccccc2N=C1CCO Amb20245615 [0,2,0,0,0,0|2,0,0]=4 1796 B15R2.984 CC(=O)C1=Cc2cnccc2NC1=O Amb19882339 [0,2,0,0,0,0|0,0,1]=3 1797 B15R2.984 CC(=O)c1cc2ccccc2cc1O Amb18129613 [0,2,0,0,0,0|2,0,0]=4 1798 B15R2.984 CC(O)C1=Cc2ccccc2NC1=O Amb18015645 [0,2,0,0,0,0|1,0,0]=3 1799 B15R2.984 Cc1cc2cnccc2nc1C(=O)O Amb8011460 [0,2,0,0,0,0|1,0,1]=4 1800 B15R2.984 Cc1nc2ccncc2cc1C(=O)O Amb2691475 [0,2,0,0,0,0|1,0,1]=4 1801 B15R2.984 NC(=O)c1cc2ccccc2cc1O Amb3941049 [0,2,0,0,0,0|2,0,0]=4 1802 B15R2.984 Nc1nc2ccncc2cc1C(=O)O Amb27975432 [0,2,0,0,0,0|1,0,1]=4 1803 B15R2.984 O=C(Cl)C1=Cc2ccccc2NC1=O Amb26332443 [0,2,0,0,0,0|1,0,1]=4 1804 B15R2.984 O=C(Cl)c1cc2ccccc2cc1O Amb17595532 [0,2,0,0,0,0|2,0,0]=4 1805 B15R2.984 O=C(Cl)c1nc2ccccc2cc1O Amb27808978 [0,2,0,0,0,0|1,0,1]=4 1806 B15R2.984 O=C(O)C1=Cc2ccccc2NC1=O Amb17933901 [0,2,0,0,0,0|1,0,0]=3 1807 B15R2.984 O=C(O)C1=Cc2ccccc2OC1=O Amb17988932 [0,2,0,0,0,0|2,0,0]=4 1808 B15R2.984 O=C(O)C1=Cc2cccnc2NC1=O Amb18023998 [0,2,0,0,0,0|2,0,0]=4 1809 B15R2.984 O=C(O)C1=Cc2ccncc2NC1=O Amb27403180 [0,2,0,0,0,0|2,0,0]=4 1810 B15R2.984 O=C(O)C1=Cc2cnccc2NC1=O Amb23440666 [0,2,0,0,0,0|0,0,0]=2 1811 B15R2.984 O=C(O)C1=Cc2cncnc2NC1=O Amb25063144 [0,2,0,0,0,0|1,0,0]=3 1812 B15R2.984 O=C(O)C1=Nc2ccccc2NC1=O Amb19957530 [0,2,0,0,0,0|2,0,0]=4 1813 B15R2.984 O=C(O)c1cc2ccccc2cc1O Amb2714487 [0,2,0,0,0,0|2,0,0]=4 1814 B15R2.984 O=C(O)c1cc2cnccc2cc1F Amb35788373 [0,2,0,0,0,0|2,0,0]=4 1815 B15R2.984 O=C([O-])c1cc2ccccc2cc1O Amb22547753 [0,2,0,0,0,0|2,0,0]=4 1816 B15R2.984 O=C1Nc2ccccc2C=C1B(O)O Amb22372294 [0,2,0,0,0,0|1,0,0]=3 1817 B15R2.984 O=[N+]([O-])c1cc2ccccc2cc1O Amb28239713 [0,2,0,0,0,0|2,0,0]=4 1818 B15R2.984 O=[N+]([O-])c1nc2ccccc2cc1O Amb9767543 [0,2,0,0,0,0|1,0,1]=4 1819 B15R2.1754 COC1=Cc2ccc(O)cc2OC1=O Amb18651005 [0,2,0,0,0,0|2,0,0]=4 1820 B15R2.1754 COC1=Cc2cnc(Cl)cc2NC1=O Amb27450829 [0,2,0,0,0,0|0,0,0]=2 1821 B15R2.1754 COc1cc2cnc(Cl)cc2cc1F Amb24554195 [0,2,0,0,0,0|2,0,0]=4 1822 B15R2.1754 Cc1ccc2c(c1)NC(=O)C(C#N)=C2 Amb18527855 [0,2,0,0,0,0|2,0,0]=4 1823 B15R2.1754 Cc1ccc2c(c1)NC(=O)C(C=O)=C2 Amb18014584 [0,2,0,0,0,0|1,0,1]=4 1824 B15R2.1754 Cc1ccc2c(c1)NC(=O)C(CCl)=C2 Amb18015273 [0,2,0,0,0,0|2,0,0]=4 1825 B15R2.1754 Cc1ccc2c(c1)NC(=O)C(CN)=C2 Amb18015330 [0,2,0,0,0,0|2,0,0]=4 1826 B15R2.1754 Cc1ccc2c(c1)NC(=O)C(CO)=C2 Amb18015651 [0,2,0,0,0,0|1,0,0]=3 1827 B15R2.1754 N#CC1=Cc2ccc(Br)cc2NC1=O Amb18527868 [0,2,0,0,0,0|2,0,0]=4 1828 B15R2.1754 N#CC1=Cc2ccc(Cl)cc2NC1=O Amb18527862 [0,2,0,0,0,0|2,0,0]=4 1829 B15R2.1754 N#CC1=Cc2ccc(F)cc2NC1=O Amb18014603 [0,2,0,0,0,0|2,0,0]=4 1830 B15R2.1754 N#CC1=Cc2cnc(N)nc2NC1=O Amb32668054 [0,2,0,0,0,0|2,0,0]=4 1831 B15R2.1754 NCC1=Cc2ccc(Br)cc2NC1=O Amb18528499 [0,2,0,0,0,0|2,0,0]=4 1832 B15R2.1754 NCC1=Cc2ccc(Cl)cc2NC1=O Amb18015334 [0,2,0,0,0,0|2,0,0]=4 1833 B15R2.1754 NCC1=Cc2ccc(F)cc2NC1=O Amb18528495 [0,2,0,0,0,0|2,0,0]=4 1834 B15R2.1754 NCC1=Cc2ccc(F)cc2NC1=O Amb22586863 [0,2,0,0,0,0|2,0,0]=4 1835 B15R2.1754 NCC1=Cc2cnc(N)nc2NC1=O Amb32668055 [0,2,0,0,0,0|2,0,0]=4 1836 B15R2.1754 Nc1ccc2c(c1)NC(=O)C(C=O)=C2 Amb27847511 [0,2,0,0,0,0|1,0,1]=4 1837 B15R2.1754 Nc1ccc2c(c1)NC(=O)C(CBr)=C2 Amb27419556 [0,2,0,0,0,0|2,0,0]=4 1838 B15R2.1754 O=C1Nc2cc(Br)ccc2C=C1CBr Amb27419667 [0,2,0,0,0,0|2,0,0]=4 1839 B15R2.1754 O=C1Nc2cc(Br)ccc2C=C1CCl Amb18528567 [0,2,0,0,0,0|2,0,0]=4 1840 B15R2.1754 O=C1Nc2cc(Br)ccc2C=C1CO Amb18528802 [0,2,0,0,0,0|1,0,0]=3 1841 B15R2.1754 O=C1Nc2cc(Cl)ccc2C=C1CBr Amb27181987 [0,2,0,0,0,0|2,0,0]=4 1842 B15R2.1754 O=C1Nc2cc(Cl)ccc2C=C1CCl Amb18528560 [0,2,0,0,0,0|2,0,0]=4 1843 B15R2.1754 O=C1Nc2cc(Cl)ccc2C=C1CO Amb18015646 [0,2,0,0,0,0|1,0,0]=3 1844 B15R2.1754 O=C1Nc2cc(F)ccc2C=C1CBr Amb27463264 [0,2,0,0,0,0|2,0,0]=4 1845 B15R2.1754 O=C1Nc2cc(F)ccc2C=C1CCl Amb18015369 [0,2,0,0,0,0|2,0,0]=4 1846 B15R2.1754 O=C1Nc2cc(F)ccc2C=C1CO Amb18528800 [0,2,0,0,0,0|1,0,0]=3 1847 B15R2.1754 O=C1Oc2cc(O)ccc2C=C1CO Amb28365183 [0,2,0,0,0,0|2,0,0]=4 1848 B15R2.1754 O=CC1=Cc2ccc(Br)cc2NC1=O Amb18527825 [0,2,0,0,0,0|1,0,1]=4 1849 B15R2.1754 O=CC1=Cc2ccc(Cl)cc2NC1=O Amb18014594 [0,2,0,0,0,0|1,0,1]=4 1850 B15R2.1754 O=CC1=Cc2ccc(F)cc2NC1=O Amb18014591 [0,2,0,0,0,0|1,0,1]=4 1851 B15R2.1754 O=Cc1cc2ccc(O)cc2cc1O Amb27973038 [0,2,0,0,0,0|2,0,0]=4 1852 B15R2.1824 C=CC1=Cc2cc(Cl)ccc2NC1=O Amb27173684 [0,2,0,0,0,0|2,0,0]=4 1853 B15R2.1824 COC1=Cc2cc(Br)ccc2NC1=O Amb25106004 [0,2,0,0,0,0|1,0,0]=3 1854 B15R2.1824 COC1=Cc2cc(Br)cnc2NC1=O Amb28385051 [0,2,0,0,0,0|2,0,0]=4 1855 B15R2.1824 COC1=Cc2cc(C)ccc2NC1=O Amb28125664 [0,2,0,0,0,0|1,0,0]=3 1856 B15R2.1824 COC1=Nc2cc(Cl)ccc2NC1=O Amb27957661 [0,2,0,0,0,0|2,0,0]=4 1857 B15R2.1824 Cc1ccc2c(c1)C=C(C#N)C(=O)N2 Amb18527831 [0,2,0,0,0,0|2,0,0]=4 1858 B15R2.1824 Cc1ccc2c(c1)C=C(C=O)C(=O)N2 Amb18014585 [0,2,0,0,0,0|1,0,1]=4 1859 B15R2.1824 Cc1ccc2c(c1)C=C(CCl)C(=O)N2 Amb18528428 [0,2,0,0,0,0|2,0,0]=4 1860 B15R2.1824 Cc1ccc2c(c1)C=C(CN)C(=O)N2 Amb18015331 [0,2,0,0,0,0|2,0,0]=4 1861 B15R2.1824 Cc1ccc2c(c1)C=C(CN)C(=O)N2 Amb18909677 [0,2,0,0,0,0|2,0,0]=4 1862 B15R2.1824 Cc1ccc2c(c1)C=C(CO)C(=O)N2 Amb18015682 [0,2,0,0,0,0|1,0,0]=3 1863 B15R2.1824 N#CC1=Cc2cc(Br)ccc2NC1=O Amb18527869 [0,2,0,0,0,0|2,0,0]=4 1864 B15R2.1824 N#CC1=Cc2cc(Cl)ccc2NC1=O Amb18527863 [0,2,0,0,0,0|2,0,0]=4 1865 B15R2.1824 N#CC1=Cc2cc(F)ccc2NC1=O Amb18527860 [0,2,0,0,0,0|2,0,0]=4 1866 B15R2.1824 NCC1=Cc2cc(Br)ccc2NC1=O Amb18528500 [0,2,0,0,0,0|2,0,0]=4 1867 B15R2.1824 NCC1=Cc2cc(Cl)ccc2NC1=O Amb18015335 [0,2,0,0,0,0|2,0,0]=4 1868 B15R2.1824 NCC1=Cc2cc(F)ccc2NC1=O Amb18528496 [0,2,0,0,0,0|2,0,0]=4 1869 B15R2.1824 O=C1Nc2ccc(Br)cc2C=C1CBr Amb27419634 [0,2,0,0,0,0|2,0,0]=4 1870 B15R2.1824 O=C1Nc2ccc(Br)cc2C=C1CCl Amb18528568 [0,2,0,0,0,0|2,0,0]=4 1871 B15R2.1824 O=C1Nc2ccc(Br)cc2C=C1CO Amb18528803 [0,2,0,0,0,0|1,0,0]=3 1872 B15R2.1824 O=C1Nc2ccc(Cl)cc2C=C1CCl Amb18363950 [0,2,0,0,0,0|2,0,0]=4 1873 B15R2.1824 O=C1Nc2ccc(Cl)cc2C=C1CO Amb18015647 [0,2,0,0,0,0|1,0,0]=3 1874 B15R2.1824 O=C1Nc2ccc(F)cc2C=C1CCl Amb18015374 [0,2,0,0,0,0|2,0,0]=4 1875 B15R2.1824 O=C1Nc2ccc(F)cc2C=C1CO Amb18528763 [0,2,0,0,0,0|1,0,0]=3 1876 B15R2.1824 O=CC1=Cc2cc(Br)ccc2NC1=O Amb18372852 [0,2,0,0,0,0|1,0,1]=4 1877 B15R2.1824 O=CC1=Cc2cc(Cl)ccc2NC1=O Amb18014595 [0,2,0,0,0,0|1,0,1]=4 1878 B15R2.1824 O=CC1=Cc2cc(F)ccc2NC1=O Amb18014592 [0,2,0,0,0,0|1,0,1]=4 1879 B15R2.2039 COC1=Cc2cccc(Br)c2NC1=O Amb24507901 [0,2,0,0,0,0|1,0,0]=3 1880 B15R2.2039 COC1=Nc2cccc(C)c2NC1=O Amb27957659 [0,2,0,0,0,0|2,0,0]=4 1881 B15R2.2039 COc1cc2ccnc(C)c2cc1O Amb17843784 [0,2,0,0,0,0|1,0,1]=4 1882 B15R2.2039 Cc1cccc2c1NC(=O)C(C#N)=C2 Amb18527854 [0,2,0,0,0,0|2,0,0]=4 1883 B15R2.2039 Cc1cccc2c1NC(=O)C(C=O)=C2 Amb18014583 [0,2,0,0,0,0|1,0,1]=4 1884 B15R2.2039 Cc1cccc2c1NC(=O)C(CCl)=C2 Amb18015385 [0,2,0,0,0,0|2,0,0]=4 1885 B15R2.2039 Cc1cccc2c1NC(=O)C(CN)=C2 Amb18015329 [0,2,0,0,0,0|2,0,0]=4 1886 B15R2.2039 Cc1cccc2c1NC(=O)C(CO)=C2 Amb18015689 [0,2,0,0,0,0|1,0,0]=3 1887 B15R2.2039 N#CC1=Cc2cccc(Br)c2NC1=O Amb18527867 [0,2,0,0,0,0|2,0,0]=4 1888 B15R2.2039 N#CC1=Cc2cccc(Cl)c2NC1=O Amb18527861 [0,2,0,0,0,0|2,0,0]=4 1889 B15R2.2039 N#CC1=Cc2cccc(F)c2NC1=O Amb18527859 [0,2,0,0,0,0|2,0,0]=4 1890 B15R2.2039 NCC1=Cc2cccc(Br)c2NC1=O Amb18528498 [0,2,0,0,0,0|2,0,0]=4 1891 B15R2.2039 NCC1=Cc2cccc(Cl)c2NC1=O Amb18015333 [0,2,0,0,0,0|2,0,0]=4 1892 B15R2.2039 NCC1=Cc2cccc(F)c2NC1=O Amb18528494 [0,2,0,0,0,0|2,0,0]=4 1893 B15R2.2039 O=C1Nc2c(Br)cccc2C=C1CCl Amb18528566 [0,2,0,0,0,0|2,0,0]=4 1894 B15R2.2039 O=C1Nc2c(Cl)cccc2C=C1CCl Amb18015379 [0,2,0,0,0,0|2,0,0]=4 1895 B15R2.2039 O=C1Nc2c(F)cccc2C=C1CCl Amb18015350 [0,2,0,0,0,0|2,0,0]=4 1896 B15R2.2039 O=CC1=Cc2cccc(Br)c2NC1=O Amb18527824 [0,2,0,0,0,0|1,0,1]=4 1897 B15R2.2039 O=CC1=Cc2cccc(Cl)c2NC1=O Amb18014593 [0,2,0,0,0,0|1,0,1]=4 1898 B15R2.2039 O=CC1=Cc2cccc(F)c2NC1=O Amb18014590 [0,2,0,0,0,0|1,0,1]=4 1899 B15R2.2393 COC1=Cc2c(Br)cccc2NC1=O Amb25832776 [0,2,0,0,0,0|1,0,0]=3 1900 B15R2.2393 COC1=Cc2c(F)cccc2NC1=O Amb28409797 [0,2,0,0,0,0|1,0,0]=3 1901 B15R2.2393 COC1=Cc2c(ccnc2Cl)NC1=O Amb27223972 [0,2,0,0,0,0|0,0,0]=2 1902 B15R2.2393 COC1=Nc2c(Cl)ncnc2NC1=O Amb27387603 [0,2,0,0,0,0|2,0,0]=4 1903 B15R2.2393 COc1cc2c(C)nccc2cc1O Amb27854969 [0,2,0,0,0,0|1,0,1]=4 1904 B15R2.2393 COc1cc2c(Cl)nccc2cc1Br Amb27597637 [0,2,0,0,0,0|2,0,0]=4 1905 B15R2.2393 COc1cc2c(Cl)nccc2cc1F Amb27448415 [0,2,0,0,0,0|2,0,0]=4 1906 B15R2.2393 N#CC1=Cc2c(Cl)ncnc2NC1=O Amb32668061 [0,2,0,0,0,0|2,0,0]=4 1907 B15R2.2393 N#CC1=Cc2c(F)cccc2NC1=O Amb28422422 [0,2,0,0,0,0|2,0,0]=4 1908 B15R2.2393 N#CC1=Cc2c(N)ncnc2NC1=O Amb32417806 [0,2,0,0,0,0|2,0,0]=4 1909 B15R2.2393 NCC1=Cc2c(Cl)ncnc2NC1=O Amb32668045 [0,2,0,0,0,0|2,0,0]=4 1910 B15R2.21243 CCC1=Cc2ccccc2N(C)C1=O Amb25814513 [0,2,0,0,0,0|2,0,0]=4 1911 B15R2.21243 CN1C(=O)C(C#N)=Cc2ccccc21 Amb18528835 [0,2,0,0,0,0|2,0,0]=4 1912 B15R2.21243 CN1C(=O)C(C=O)=Cc2ccccc21 Amb18526958 [0,2,0,0,0,0|1,0,1]=4 1913 B15R2.21243 CN1C(=O)C(CCl)=Cc2ccccc21 Amb19516787 [0,2,0,0,0,0|2,0,0]=4 1914 B15R2.21243 CN1C(=O)C(CN)=Cc2ccccc21 Amb18280924 [0,2,0,0,0,0|2,0,0]=4 1915 B15R2.21243 CN1C(=O)C(CN)=Cc2ccccc21 Amb33552698 [0,2,0,0,0,0|2,0,0]=4 1916 B15R2.21243 CN1C(=O)C(CO)=Cc2ccccc21 Amb18006219 [0,2,0,0,0,0|1,0,0]=3 1917 B15R2.21243 CNC1=Cc2ccccc2N(C)C1=O Amb27170409 [0,2,0,0,0,0|2,0,0]=4 1918 B15R2.21243 COC1=Cc2ccccc2C(=O)C1=O Amb24744460 [0,2,0,0,0,0|2,0,0]=4 1919 B15R2.21243 CSC1=Cc2ccccc2N(C)C1=O Amb28206292 [0,2,0,0,0,0|1,1,0]=4 1920 B15R2.21243 Cn1c(=O)c(CCl)cc2ccccc21 Amb1102201 [0,2,0,0,0,0|2,0,0]=4 1921 B15R2.21243 O=Cc1cc2ccccc2c(Br)c1O Amb18667009 [0,2,0,0,0,0|2,0,0]=4 1922 B15R2.1007 CC1=C(F)C(=O)Nc2ccc(Cl)cc21 Amb27387675 [0,2,0,0,0,0|2,0,0]=4 1923 B15R2.1007 CC1=C(O)C(=O)Oc2ccc(O)cc21 Amb28321842 [0,2,0,0,0,0|2,0,0]=4 1924 B15R2.1007 CC1=C(O)c2cc(F)ccc2NC1=O Amb24592612 [0,2,0,0,0,0|2,0,0]=4 1925 B15R2.1007 CN1C(=O)C(Br)=Cc2cnc(N)nc21 Amb22552578 [0,2,0,0,0,0|2,0,0]=4 1926 B15R2.1007 Cc1ccc2c(c1)C(O)=C(Br)C(=O)N2 Amb23533634 [0,2,0,0,0,0|2,0,0]=4 1927 B15R2.1007 O=C1Nc2ccc(F)cc2C(F)=C1O Amb27403508 [0,2,0,0,0,0|1,0,0]=3 1928 B15R2.1007 O=C1Oc2ccc(Cl)cc2C(O)=C1O Amb25071163 [0,2,0,0,0,0|2,0,0]=4 1929 B15R2.6237 CCC1=C(O)C(=O)Nc2ccccc21 Amb27182442 [0,2,0,0,0,0|1,0,0]=3 1930 B15R2.6237 CCN1C(=O)C(=O)Nc2ccncc21 Amb32416834 [0,2,0,0,0,0|1,0,1]=4 1931 B15R2.6237 CCN1C(=O)C(=O)Nc2cnccc21 Amb27456397 [0,2,0,0,0,0|1,0,1]=4 1932 B15R2.6237 CCN1C(=O)C(Cl)=Nc2cnccc21 Amb32416831 [0,2,0,0,0,0|2,0,0]=4 1933 B15R2.6237 CCN1C(=O)C(N)=Cc2ccccc21 Amb22372129 [0,2,0,0,0,0|2,0,0]=4 1934 B15R2.6237 CCN1C(=O)C(O)=Cc2ccccc21 Amb27491616 [0,2,0,0,0,0|1,0,0]=3 1935 B15R2.6237 CCN1C(=O)C(O)=Nc2ccccc21 Amb19651675 [0,2,0,0,0,0|2,0,0]=4 1936 B15R2.6237 COC1=C(O)C(=O)Oc2ccccc21 Amb22753605 [0,2,0,0,0,0|2,0,0]=4 1937 B15R2.6237 CON1C(=O)C(N)=Cc2ccccc21 Amb27870418 [0,2,0,0,0,0|2,0,0]=4 1938 B15R2.9032 CC1=C(N)C(=O)N(C)c2ccccc21 Amb23448332 [0,2,0,0,0,0|2,0,0]=4 1939 B15R2.9032 CC1=C(O)C(=O)N(C)c2ccccc21 Amb22751148 [0,2,0,0,0,0|1,0,0]=3 1940 B15R2.9032 CC1=C(O)C(=O)c2ccccc2N1C Amb20242314 [0,2,0,0,0,0|2,0,0]=4 1941 B15R2.9032 CC1=C(O)c2ccccc2N(C)C1=O Amb19668039 [0,2,0,0,0,0|2,0,0]=4 1942 B15R2.9032 CN1C(=O)C(Br)=C(Cl)c2ccccc21 Amb32456024 [0,2,0,0,0,0|2,0,0]=4 1943 B15R2.9032 CN1C(=O)C(Br)=C(O)c2ccccc21 Amb20660833 [0,2,0,0,0,0|2,0,0]=4 1944 B15R2.9032 CN1C(=O)C(Cl)=C(O)c2ccccc21 Amb19520628 [0,2,0,0,0,0|2,0,0]=4 1945 B15R2.9032 CN1C(=O)C(I)=C(Cl)c2ccccc21 Amb23509158 [0,2,0,0,0,0|2,0,0]=4 1946 B15R2.9032 CN1C(=O)C(N)=C(O)c2ccccc21 Amb21927455 [0,2,0,0,0,0|2,0,0]=4 1947 B15R2.9032 CN1C(=O)C(O)=C(O)c2ccccc21 Amb21912831 [0,2,0,0,0,0|1,0,0]=3 1948 B15R2.9032 CN1C(=O)c2cnccc2N(C)C1=O Amb27866721 [0,2,0,0,0,0|2,0,0]=4 1949 B15R2.13612 CC1=C(O)c2cccc(Br)c2NC1=O Amb25060386 [0,2,0,0,0,0|2,0,0]=4 1950 B15R2.13612 CC1=C(O)c2cccc(Cl)c2NC1=O Amb26866024 [0,2,0,0,0,0|2,0,0]=4 1951 B15R2.13612 O=C1Nc2c(F)cccc2C(F)=C1O Amb27950144 [0,2,0,0,0,0|1,0,0]=3 1952 B15R2.13612 O=C1Nc2c(F)cccc2C(O)=C1Br Amb25979715 [0,2,0,0,0,0|2,0,0]=4 1953 B15R2.13612 O=C1Nc2c(F)ccnc2C(F)=C1O Amb27237651 [0,2,0,0,0,0|2,0,0]=4 1954 B15R2.13612 O=C1Oc2c(O)cccc2C(O)=C1O Amb19886340 [0,2,0,0,0,0|2,0,0]=4 1955 B15R2.61372 CC1=C(C)c2c(O)cccc2NC1=O Amb27755062 [0,2,0,0,0,0|2,0,0]=4 1956 B15R2.61372 CN1C(=O)C(F)=Cc2cccc(F)c21 Amb22547155 [0,2,0,0,0,0|2,0,0]=4 1957 B15R2.61372 Cc1cccc2c1C(F)=C(O)C(=O)N2 Amb28434675 [0,2,0,0,0,0|1,0,0]=3 1958 B15R2.63893 CC1=C(O)C(=O)Oc2cc(N)ccc21 Amb28398149 [0,2,0,0,0,0|2,0,0]=4 1959 B15R2.63893 CC1=C(O)C(=O)Oc2cc(O)ccc21 Amb28202029 [0,2,0,0,0,0|2,0,0]=4 1960 B15R2.63893 CC1=Cc2cc(N)ccc2N(C)C1=O Amb22901108 [0,2,0,0,0,0|2,0,0]=4 1961 B15R2.63893 CN1C(=O)C(O)=Nc2cc(N)ccc21 Amb19882074 [0,2,0,0,0,0|2,0,0]=4 1962 B15R2.63893 CN1C(=O)C(O)=Nc2cc(N)ccc21 Amb21894572 [0,2,0,0,0,0|2,0,0]=4 1963 B15R2.63893 NC1=C(O)c2ccc(Cl)cc2NC1=O Amb28068797 [0,2,0,0,0,0|2,0,0]=4 1964 B15R2.63893 O=C1Nc2cc(F)ccc2C(F)=C1O Amb28251152 [0,2,0,0,0,0|1,0,0]=3 1965 B15R2.13981 O=C1Nc2c(ccc(Cl)c2Cl)C=C1Br Amb23509995 [0,2,0,0,0,0|2,0,0]=4 1966 B15R2.13981 O=C1Nc2ccc(Cl)c(F)c2C=C1O Amb27588076 [0,2,0,0,0,0|1,0,0]=3 1967 B15R2.13981 O=C1Nc2ccc(F)c(Cl)c2C=C1O Amb28345610 [0,2,0,0,0,0|1,0,0]=3 1968 B15R2.13981 O=C1Oc2c(ccc(O)c2O)C=C1O Amb28351365 [0,2,0,0,0,0|2,0,0]=4 1969 B15R2.21336 CC1=Cc2cc(CCl)ccc2NC1=O Amb18529720 [0,2,0,0,0,0|2,0,0]=4 1970 B15R2.21336 CC1=Cc2cc(CN)ccc2NC1=O Amb18023596 [0,2,0,0,0,0|2,0,0]=4 1971 B15R2.21336 CC1=Cc2cc(CN)ccc2NC1=O Amb18364025 [0,2,0,0,0,0|2,0,0]=4 1972 B15R2.21336 CC1=Cc2ccc(CCl)cc2NC1=O Amb18529718 [0,2,0,0,0,0|2,0,0]=4 1973 B15R2.21336 COc1ccc2c(c1)C=C(C)C(=O)N2 Amb18368687 [0,2,0,0,0,0|2,0,0]=4 1974 B15R2.21336 COc1ccc2c(c1)C=C(F)C(=O)N2 Amb22641637 [0,2,0,0,0,0|2,0,0]=4 1975 B15R2.21336 COc1ccc2c(c1)NC(=O)C(Br)=C2 Amb25342187 [0,2,0,0,0,0|2,0,0]=4 1976 B15R2.21336 COc1ccc2c(c1)NC(=O)C(C)=C2 Amb18049043 [0,2,0,0,0,0|2,0,0]=4 1977 B15R2.21336 CSc1ncc2c(n1)NC(=O)C(Br)=C2 Amb21961292 [0,2,0,0,0,0|2,0,0]=4 1978 B15R2.21336 CSc1ncc2c(n1)NC(=O)C(C)=C2 Amb27614222 [0,2,0,0,0,0|2,0,0]=4 1979 B15R2.59733 CC1=Cc2c(C)nc(C)nc2NC1=O Amb27855511 [0,2,0,0,0,0|2,0,0]=4 1980 B15R2.59733 CC1=Cc2cc(C)cc(N)c2NC1=O Amb27396054 [0,2,0,0,0,0|2,0,0]=4 1981 B15R2.59733 CC1=Cc2cc(F)cc(N)c2NC1=O Amb25952757 [0,2,0,0,0,0|2,0,0]=4 1982 B15R2.59733 CC1=Cc2cc(N)cc(C)c2NC1=O Amb24345851 [0,2,0,0,0,0|2,0,0]=4 1983 B15R2.59733 CC1=Cc2cc(N)cc(F)c2NC1=O Amb28048080 [0,2,0,0,0,0|2,0,0]=4 1984 B15R2.59733 Cc1cc(C)c2c(c1)NC(=O)C(F)=C2 Amb22547380 [0,2,0,0,0,0|2,0,0]=4 1985 B15R2.59733 Cc1cc2cc(O)c(O)cc2c(C)n1 Amb28062993 [0,2,0,0,0,0|1,0,1]=4 1986 B15R2.59733 O=C1Nc2c(Cl)cc(Cl)cc2C=C1Cl Amb23509998 [0,2,0,0,0,0|2,0,0]=4 1987 B15R2.59733 O=C1Nc2c(Cl)cc(Cl)cc2N=C1O Amb19815277 [0,2,0,0,0,0|2,0,0]=4 1988 B15R2.59733 O=C1Nc2cc(Cl)nc(Cl)c2NC1=O Amb22263309 [0,2,0,0,0,0|1,0,1]=4 1989 B15R2.59733 O=C1Oc2cc(O)cc(O)c2C=C1O Amb25987799 [0,2,0,0,0,0|2,0,0]=4 1990 B15R2.62227 CC1=Cc2cc(C)c(C)cc2NC1=O Amb18548646 [0,2,0,0,0,0|2,0,0]=4 1991 B15R2.62227 O=C1Nc2cc(F)c(F)cc2C=C1Br Amb28044974 [0,2,0,0,0,0|2,0,0]=4 1992 B15R2.62227 O=C1Oc2cc(O)c(O)cc2C=C1O Amb27612776 [0,2,0,0,0,0|2,0,0]=4 1993 B15R2.63633 CC1=Cc2c(C)ccc(C)c2NC1=O Amb18049041 [0,2,0,0,0,0|2,0,0]=4 1994 B15R2.63633 Cc1ccc(F)c2c1C=C(O)C(=O)N2 Amb27588075 [0,2,0,0,0,0|1,0,0]=3 1995 B15R2.63633 Cc1ccc(F)c2c1NC(=O)C(O)=C2 Amb28071117 [0,2,0,0,0,0|1,0,0]=3 1996 B15R2.63633 O=C1Nc2c(Cl)ccc(Cl)c2C=C1Br Amb23449366 [0,2,0,0,0,0|2,0,0]=4 1997 B15R2.63633 O=C1Nc2c(Cl)ccc(Cl)c2C=C1O Amb28241027 [0,2,0,0,0,0|1,0,0]=3 1998 B15R2.86973 CCc1cccc2c1NC(=O)C(F)=C2 Amb22547232 [0,2,0,0,0,0|2,0,0]=4 1999 B15R2.86973 CCc1cccc2c1NC(=O)C(O)=C2 Amb28325810 [0,2,0,0,0,0|1,0,0]=3 2000 B15R2.86973 COc1cccc2c1C=C(C)C(=O)N2 Amb28409067 [0,2,0,0,0,0|2,0,0]=4 2001 B13R2.373 C=C1CN(c2ccccc2)C1=O Amb27808537 [0,0,1,1,0,0|2,0,0]=4 2002 B13R2.373 O=C1NC(c2cccnc2)C1O Amb25148534 [0,0,1,1,0,0|0,0,2]=4 2003 B13R2.435 CC(=O)c1cc2ccccc2o1 Amb1212626 [0,0,1,1,0,0|2,0,0]=4 2004 B13R2.435 CC(=O)c1cc2cccnc2s1 Amb18195959 [0,0,1,1,0,0|1,1,0]=4 2005 B13R2.435 CC(=O)c1cc2cnccc2o1 Amb18830138 [0,0,1,1,0,0|1,0,0]=3 2006 B13R2.435 CC(=O)c1cc2cnccc2s1 Amb18195960 [0,0,1,1,0,0|1,1,0]=4 2007 B13R2.435 CC(=O)c1cc2nccnc2o1 Amb18829866 [0,0,1,1,0,0|2,0,0]=4 2008 B13R2.435 CC(N)c1cc2cnccc2o1 Amb32665109 [0,0,1,1,0,0|1,0,1]=4 2009 B13R2.435 N=C(N)c1cc2ccccc2o1 Amb19374967 [0,0,1,1,0,0|2,0,0]=4 2010 B13R2.435 NC(=O)C1=Cc2ccccc2C1 Amb22227964 [0,0,1,1,0,0|2,0,0]=4 2011 B13R2.435 NC(=O)c1cc2ccccc2o1 Amb6337587 [0,0,1,1,0,0|1,0,0]=3 2012 B13R2.435 NC(=O)c1cc2ccccc2s1 Amb6341890 [0,0,1,1,0,0|1,1,0]=4 2013 B13R2.435 NC(=O)c1nc2ccccc2o1 Amb22500295 [0,0,1,1,0,0|2,0,0]=4 2014 B13R2.435 NC(=O)c1nc2cccnc2s1 Amb27983803 [0,0,1,1,0,0|1,1,0]=4 2015 B13R2.435 NC(=S)c1cc2ccccc2o1 Amb8834038 [0,0,1,1,0,0|1,1,0]=4 2016 B13R2.435 O=C(Cl)c1cc2ccccc2o1 Amb2684582 [0,0,1,1,0,0|2,0,0]=4 2017 B13R2.435 O=C(Cl)c1cc2cccnc2s1 Amb22736489 [0,0,1,1,0,0|1,1,0]=4 2018 B13R2.435 O=C(Cl)c1cc2cccnc2s1 Amb27185816 [0,0,1,1,0,0|1,1,0]=4 2019 B13R2.435 O=C(O)c1cc2ccccc2o1 Amb1203290 [0,0,1,1,0,0|2,0,0]=4 2020 B13R2.435 O=C(O)c1cc2cccnc2o1 Amb8383389 [0,0,1,1,0,0|1,0,0]=3 2021 B13R2.435 O=C(O)c1cc2cccnc2s1 Amb2723080 [0,0,1,1,0,0|1,1,0]=4 2022 B13R2.435 O=C(O)c1cc2cnccc2o1 Amb18645761 [0,0,1,1,0,0|1,0,0]=3 2023 B13R2.435 O=C(O)c1cc2cnccc2s1 Amb18648240 [0,0,1,1,0,0|1,1,0]=4 2024 B13R2.435 O=C(O)c1cc2cncnc2o1 Amb18142231 [0,0,1,1,0,0|2,0,0]=4 2025 B13R2.435 O=C(O)c1cc2cnncc2o1 Amb27224397 [0,0,1,1,0,0|2,0,0]=4 2026 B13R2.435 O=C(O)c1cc2nccnc2o1 Amb18829111 [0,0,1,1,0,0|2,0,0]=4 2027 B13R2.435 O=C(O)c1nc2cnccc2o1 Amb32691510 [0,0,1,1,0,0|2,0,0]=4 2028 B13R2.435 O=[N+]([O-])c1cc2cccnc2o1 Amb28399355 [0,0,1,1,0,0|2,0,0]=4 2029 B13R2.336 O=C1NC=CC2=CC=CC=C1C2 Amb27449234 [0,0,1,1,0,0|2,0,0]=4 2030 B13R2.163 O=C1Nc2ccccc2C=NO1 Amb28255633 [0,0,1,1,0,0|2,0,0]=4 2031 B13R2.1613 O=Cc1cccc2cnccc12 Amb1995127 [0,0,1,1,0,0|2,0,0]=4 2032 B13R2.1613 O=Cc1nccc2cnccc12 Amb31379120 [0,0,1,1,0,0|2,0,0]=4 2033 B13R2.54 Cc1cccc2oc(C=O)cc12 Amb18830290 [0,0,1,1,0,0|2,0,0]=4 2034 B13R2.54 Nc1cccc2oc(C=O)cc12 Amb18830105 [0,0,1,1,0,0|1,0,0]=3 2035 B13R2.54 Nc1nccc2oc(C=O)cc12 Amb32659214 [0,0,1,1,0,0|2,0,0]=4 2036 B13R2.54 Nc1ncnc2sc(C=O)cc12 Amb18824741 [0,0,1,1,0,0|1,1,0]=4 2037 B13R2.54 O=Cc1cc2c(Br)cccc2o1 Amb18754939 [0,0,1,1,0,0|2,0,0]=4 2038 B13R2.54 O=Cc1cc2c(O)cccc2o1 Amb27209821 [0,0,1,1,0,0|2,0,0]=4 2039 B13R3.28 C1=Cc2ccccc2N3C=C13 Amb26478756 [1,0,0,1,0,0|2,0,0]=4 2040 B15R3.4266 c1cc2cc3c(cc2cn1)OCO3 Amb19100685 [0,1,0,1,0,0|1,0,1]=4 2041 B11R1.35 C=C(Cl)C(=O)Nc1ccsc1 Amb27217432 [0,0,1,0,1,0|2,0,0]=4 2042 B11R1.35 C=C(Cl)C(=O)Nc1cnoc1 Amb27247382 [0,0,1,0,1,0|2,0,0]=4 2043 B11R1.35 C=C(Cl)C(=O)Nc1cnsc1 Amb29860154 [0,0,1,0,1,0|2,0,0]=4 2044 B11R1.35 C=C(Cl)C(=O)Nn1cccc1 Amb27796037 [0,0,1,0,1,0|2,0,0]=4 2045 B11R1.35 C\C(=C/c1ccco1)C(N)=O Amb27231811 [0,0,1,0,1,0|2,0,0]=4 2046 B11R1.35 O=C(O)C(=O)Nc1cccs1 Amb27450757 [0,0,1,0,1,0|2,0,0]=4 2047 B11R1.35 O=C(O)C(=O)Nc1ccsc1 Amb27664522 [0,0,1,0,1,0|2,0,0]=4 2048 B11R1.35 O=C(O)C(=O)Nc1cnsc1 Amb30015415 [0,0,1,0,1,0|2,0,0]=4 2049 B11R1.36 C=C(Br)C(=O)c1ccccc1 Amb25208336 [0,0,1,0,1,0|2,0,0]=4 2050 B11R1.36 C=C(C(=O)O)c1cccnc1 Amb24578705 [0,0,1,0,1,0|2,0,0]=4 2051 B11R1.36 C=C(C(=O)O)c1ccncc1 Amb26880206 [0,0,1,0,1,0|2,0,0]=4 2052 B11R1.36 C=C(C)C(=O)c1ccccc1 Amb17593661 [0,0,1,0,1,0|2,0,0]=4 2053 B11R1.36 C=C(C)C(=O)c1ccncc1 Amb24413658 [0,0,1,0,1,0|1,0,0]=3 2054 B11R1.36 C=C(Cl)C(=O)c1ccccc1 Amb28075337 [0,0,1,0,1,0|2,0,0]=4 2055 B11R1.36 CC(=O)C(=O)c1cccnc1 Amb25152863 [0,0,1,0,1,0|1,0,1]=4 2056 B11R1.36 CC(=O)C(=O)c1ccncc1 Amb26074229 [0,0,1,0,1,0|0,0,2]=4 2057 B11R1.36 CC(=O)C(O)c1cccnc1 Amb24486339 [0,0,1,0,1,0|1,0,1]=4 2058 B11R1.36 CC(C(N)=O)c1cccnc1 Amb28068844 [0,0,1,0,1,0|1,0,1]=4 2059 B11R1.36 CC(O)C(=O)c1ccncc1 Amb28367025 [0,0,1,0,1,0|0,0,2]=4 2060 B11R1.36 CN(C(N)=O)c1cccnc1 Amb33545241 [0,0,1,0,1,0|2,0,0]=4 2061 B11R1.36 CN(O)C(=O)c1ccncc1 Amb27949143 [0,0,1,0,1,0|1,0,1]=4 2062 B11R1.36 NC(=O)C(=O)c1ccccc1 Amb18560879 [0,0,1,0,1,0|1,0,1]=4 2063 B11R1.36 NC(=O)C(=O)c1cccnc1 Amb18063199 [0,0,1,0,1,0|0,0,1]=3 2064 B11R1.36 NC(=O)C(Cl)c1cccnc1 Amb18185667 [0,0,1,0,1,0|1,0,1]=4 2065 B11R1.36 NC(=O)C(N)c1cccnc1 Amb17334312 [0,0,1,0,1,0|1,0,1]=4 2066 B11R1.36 NC(=O)C(O)c1ccccc1 Amb2611605 [0,0,1,0,1,0|1,0,1]=4 2067 B11R1.36 NC(=O)C(O)c1cccnc1 Amb18182774 [0,0,1,0,1,0|0,0,1]=3 2068 B11R1.36 NC(=O)[C@@H](O)c1ccccc1 Amb20671372 [0,0,1,0,1,0|1,0,1]=4 2069 B11R1.36 NC(=O)[C@H](N)c1cccnc1 Amb28284923 [0,0,1,0,1,0|1,0,1]=4 2070 B11R1.36 NC(=O)[C@H](O)c1ccccc1 Amb20671371 [0,0,1,0,1,0|1,0,1]=4 2071 B11R1.36 O=C(O)C(=O)c1ccccc1 Amb2611302 [0,0,1,0,1,0|2,0,0]=4 2072 B11R1.36 O=C(O)C(=O)c1ccccc1 Amb33204525 [0,0,1,0,1,0|2,0,0]=4 2073 B11R1.36 O=C(O)C(=O)c1cccnc1 Amb15701278 [0,0,1,0,1,0|1,0,1]=4 2074 B11R1.36 O=C(O)C(=O)c1cccnc1 Amb22492371 [0,0,1,0,1,0|1,0,1]=4 2075 B11R1.36 O=C(O)C(=O)c1ccncn1 Amb33269065 [0,0,1,0,1,0|2,0,0]=4 2076 B11R1.36 O=C(O)C(=O)c1ccnnc1 Amb28189420 [0,0,1,0,1,0|2,0,0]=4 2077 B11R1.36 O=C(O)C(O)c1cccnc1 Amb18952024 [0,0,1,0,1,0|1,0,1]=4 2078 B11R1.36 O=C(O)C(O)c1cccnc1 Amb19373382 [0,0,1,0,1,0|1,0,1]=4 2079 B11R1.222 C=CC(=O)c1ccncc1Br Amb27442812 [0,0,1,0,1,0|2,0,0]=4 2080 B11R1.222 C=CC(=O)c1ccncc1C Amb26501413 [0,0,1,0,1,0|1,0,1]=4 2081 B11R1.222 C=CC(=O)c1ccncc1Cl Amb25893372 [0,0,1,0,1,0|2,0,0]=4 2082 B11R1.222 C=CC(=O)c1ccncc1F Amb26079030 [0,0,1,0,1,0|2,0,0]=4 2083 B11R1.222 Nc1cnccc1C(=O)NO Amb27664574 [0,0,1,0,1,0|2,0,0]=4 2084 B11R1.222 O=C(NO)c1ccncc1Br Amb27660438 [0,0,1,0,1,0|2,0,0]=4 2085 B11R1.222 O=C(NO)c1ccncc1F Amb25276068 [0,0,1,0,1,0|2,0,0]=4 2086 B11R1.222 O=C(NO)c1ccncc1O Amb10975474 [0,0,1,0,1,0|2,0,0]=4 2087 B11R2.1 Brc1ccc2cnccn12 Amb18188551 [1,0,0,0,1,0|2,0,0]=4 2088 B11R2.1 Brc1coc2ccncc12 Amb18187801 [1,0,0,0,1,0|2,0,0]=4 2089 B11R2.1 Brc1coc2cnccc12 Amb26912398 [1,0,0,0,1,0|2,0,0]=4 2090 B11R2.1 Brc1csc2ccncc12 Amb10070410 [1,0,0,0,1,0|2,0,0]=4 2091 B11R2.1 Brc1csc2cnccc12 Amb10070409 [1,0,0,0,1,0|2,0,0]=4 2092 B11R2.1 Cn1ccc2cnccc21 Amb27160678 [1,0,0,0,1,0|2,0,0]=4 2093 B11R2.1 Nc1ccn2cnccc12 Amb28205462 [1,0,0,0,1,0|2,0,0]=4 2094 B11R2.1 Nc1coc2ccncc12 Amb27813427 [1,0,0,0,1,0|2,0,0]=4 2095 B11R2.1 Nc1coc2cnccc12 Amb27633514 [1,0,0,0,1,0|2,0,0]=4 2096 B11R2.1 Nc1csc2ccncc12 Amb10070406 [1,0,0,0,1,0|2,0,0]=4 2097 B11R2.1 Nc1csc2cnccc12 Amb10067625 [1,0,0,0,1,0|2,0,0]=4 2098 B11R2.1 O=C1C=Cc2ccccc21 Amb10603436 [1,0,0,0,1,0|1,0,0]=3 2099 B11R2.1 O=C1CCc2cnccc21 Amb22235532 [1,0,0,0,1,0|0,0,2]=4 2100 B11R2.1 O=C1CCc2cnccc21 Amb5719882 [1,0,0,0,1,0|0,0,2]=4 2101 B11R2.1 O=C1COc2cnccc21 Amb20242099 [1,0,0,0,1,0|1,0,1]=4 2102 B11R2.1 O=C1COc2cnccc21 Amb22728783 [1,0,0,0,1,0|1,0,1]=4 2103 B11R2.1 O=C1CSc2cnccc21 Amb27265724 [1,0,0,0,1,0|1,0,1]=4 2104 B11R2.1 O=C1N=Cc2ccccc21 Amb25265062 [1,0,0,0,1,0|2,0,0]=4 2105 B11R2.1 O=C1NCc2cnccc21 Amb23455305 [1,0,0,0,1,0|1,0,1]=4 2106 B11R2.1 O=C1NNc2cnccc21 Amb21857177 [1,0,0,0,1,0|2,0,0]=4 2107 B11R2.1 O=C1NOc2cnccc21 Amb22494128 [1,0,0,0,1,0|2,0,0]=4 2108 B11R2.1 O=s1ccc2ccccc21 Amb24078341 [1,0,0,0,1,0|2,0,0]=4 2109 B11R2.1 Oc1ccc2cnccn12 Amb28201971 [1,0,0,0,1,0|1,0,1]=4 2110 B11R2.1 Oc1coc2ccccc12 Amb24097480 [1,0,0,0,1,0|2,0,0]=4 2111 B11R2.1 Oc1csc2ccccc12 Amb4009443 [1,0,0,0,1,0|2,0,0]=4 2112 B11R2.1 Oc1csc2cnccc12 Amb32669775 [1,0,0,0,1,0|1,0,1]=4 2113 B11R2.1 Oc1noc2ccncc12 Amb28458158 [1,0,0,0,1,0|2,0,0]=4 2114 B11R2.10 Brc1cc2ccncc2s1 Amb13890651 [1,0,0,0,1,0|2,0,0]=4 2115 B11R2.10 Brc1cc2cnccc2o1 Amb18187766 [1,0,0,0,1,0|2,0,0]=4 2116 B11R2.10 Brc1cc2cnccc2s1 Amb18771314 [1,0,0,0,1,0|2,0,0]=4 2117 B11R2.10 Cc1cc2cnccc2o1 Amb23590993 [1,0,0,0,1,0|2,0,0]=4 2118 B11R2.10 Clc1cc2ccncc2o1 Amb28126707 [1,0,0,0,1,0|2,0,0]=4 2119 B11R2.10 Clc1cc2cnccc2s1 Amb22494667 [1,0,0,0,1,0|2,0,0]=4 2120 B11R2.10 Ic1cc2ccncc2s1 Amb22495234 [1,0,0,0,1,0|2,0,0]=4 2121 B11R2.10 Ic1cc2cnccc2s1 Amb22494668 [1,0,0,0,1,0|2,0,0]=4 2122 B11R2.10 Nc1cc2cnccc2o1 Amb18203158 [1,0,0,0,1,0|2,0,0]=4 2123 B11R2.10 Nc1cc2cnccc2s1 Amb18201881 [1,0,0,0,1,0|2,0,0]=4 2124 B11R2.10 O=C1C=C2C=CC=CC2=N1 Amb24620213 [1,0,0,0,1,0|1,0,1]=4 2125 B11R2.10 O=C1C=C2C=CC=CN2N1 Amb21858515 [1,0,0,0,1,0|2,0,0]=4 2126 B11R2.10 O=C1Cc2ccccc2N1 Amb1351379 [1,0,0,0,1,0|1,0,1]=4 2127 B11R2.10 O=C1Cc2ccncc2N1 Amb19929479 [1,0,0,0,1,0|2,0,0]=4 2128 B11R2.10 O=C1Cc2ccncc2N1 Amb21964304 [1,0,0,0,1,0|2,0,0]=4 2129 B11R2.10 O=C1Cc2cnccc2N1 Amb8630016 [1,0,0,0,1,0|0,0,1]=3 2130 B11R2.10 O=C1Cc2cncnc2N1 Amb22494135 [1,0,0,0,1,0|1,0,1]=4 2131 B11R2.10 O=C1Nc2ccccc2N1 Amb18375774 [1,0,0,0,1,0|2,0,0]=4 2132 B11R2.10 O=C1Nc2ccccc2O1 Amb18043097 [1,0,0,0,1,0|2,0,0]=4 2133 B11R2.10 O=C1Nc2ccccc2S1 Amb17933260 [1,0,0,0,1,0|2,0,0]=4 2134 B11R2.10 O=C1Nc2ccncc2N1 Amb18043121 [1,0,0,0,1,0|1,0,0]=3 2135 B11R2.10 O=C1Nc2ccncc2O1 Amb22233917 [1,0,0,0,1,0|1,0,0]=3 2136 B11R2.10 Oc1cc2ccccc2s1 Amb24518934 [1,0,0,0,1,0|2,0,0]=4 2137 B11R2.10 Oc1cc2ccccn2c1 Amb27841533 [1,0,0,0,1,0|2,0,0]=4 2138 B11R2.10 Oc1cn2ccncc2n1 Amb25146321 [1,0,0,0,1,0|2,0,0]=4 2139 B11R2.10 Oc1cn2cnccc2n1 Amb27603689 [1,0,0,0,1,0|1,0,1]=4 2140 B11R2.10 S=C1Nc2ccncc2N1 Amb18544993 [1,0,0,0,1,0|1,1,0]=4 2141 B11R2.36 O=C1C=Cc2ccsc2N1 Amb24417184 [1,0,0,0,1,0|1,0,0]=3 2142 B11R2.36 O=C1C=Cc2nccn2N1 Amb22388527 [1,0,0,0,1,0|1,0,0]=3 2143 B11R2.36 O=C1C=Cc2nncn2N1 Amb20268572 [1,0,0,0,1,0|2,0,0]=4 2144 B11R2.36 O=C1C=Cc2nocc2C1 Amb27962578 [1,0,0,0,1,0|2,0,0]=4 2145 B11R2.36 O=C1C=Cc2sccc2N1 Amb28206306 [1,0,0,0,1,0|1,0,0]=3 2146 B11R2.36 O=C1C=Cn2cnnc2N1 Amb27461894 [1,0,0,0,1,0|2,0,0]=4 2147 B11R2.36 O=C1C=Cn2nccc2N1 Amb21927423 [1,0,0,0,1,0|1,0,0]=3 2148 B11R2.36 O=C1C=Cn2ncnc2N1 Amb19372832 [1,0,0,0,1,0|2,0,0]=4 2149 B11R2.36 O=c1ccc2ccsc2o1 Amb5720014 [1,0,0,0,1,0|2,0,0]=4 2150 B11R2.36 O=c1ccc2sccc2o1 Amb5719894 [1,0,0,0,1,0|2,0,0]=4 2151 B11R2.36 Oc1ccc2c(c1)C=CC2 Amb18124353 [1,0,0,0,1,0|1,0,1]=4 2152 B11R2.36 Oc1ccc2ccnn2c1 Amb10067868 [1,0,0,0,1,0|2,0,0]=4 2153 B11R2.36 Oc1ccc2ccoc2c1 Amb18124404 [1,0,0,0,1,0|2,0,0]=4 2154 B11R2.36 Oc1ccc2ccsc2c1 Amb18644429 [1,0,0,0,1,0|2,0,0]=4 2155 B11R2.36 Oc1ccc2cnoc2c1 Amb10603075 [1,0,0,0,1,0|2,0,0]=4 2156 B11R2.36 Oc1ccc2cnsc2c1 Amb24466965 [1,0,0,0,1,0|2,0,0]=4 2157 B11R2.36 Oc1ccc2csnc2c1 Amb27389693 [1,0,0,0,1,0|2,0,0]=4 2158 B11R2.36 Oc1ccc2occc2c1 Amb16185813 [1,0,0,0,1,0|2,0,0]=4 2159 B11R2.36 Oc1ccc2ocnc2c1 Amb17479110 [1,0,0,0,1,0|2,0,0]=4 2160 B11R2.36 Oc1ccc2oncc2c1 Amb23403626 [1,0,0,0,1,0|2,0,0]=4 2161 B11R2.36 Oc1ccc2sccc2c1 Amb18644430 [1,0,0,0,1,0|2,0,0]=4 2162 B11R2.36 Oc1ccc2scnc2c1 Amb16231523 [1,0,0,0,1,0|2,0,0]=4 2163 B11R2.36 Oc1ccc2sncc2c1 Amb18125219 [1,0,0,0,1,0|2,0,0]=4 2164 B11R2.36 Oc1ccn2ccnc2c1 Amb17616040 [1,0,0,0,1,0|2,0,0]=4 2165 B11R2.36 Oc1ccn2ccnc2c1 Amb33339209 [1,0,0,0,1,0|2,0,0]=4 2166 B11R2.36 Oc1cnc2ccnn2c1 Amb28315099 [1,0,0,0,1,0|1,0,1]=4 2167 B11R2.36 Oc1cnc2ccsc2c1 Amb19959222 [1,0,0,0,1,0|1,0,1]=4 2168 B11R2.36 Oc1cnc2sccc2c1 Amb18644463 [1,0,0,0,1,0|1,0,1]=4 2169 B11R2.8 O=C1Nc2ccsc2C1O Amb27408328 [0,0,0,0,2,0|1,0,1]=4 2170 B11R2.54 O=C1C(=O)c2ccccc21 Amb18048412 [0,0,0,0,2,0|1,0,1]=4 2171 B11R2.54 O=C1c2ccccc2C1O Amb27164695 [0,0,0,0,2,0|1,0,1]=4 2172 B13R1.348 C=C(C)NC(=O)Nc1ccccc1 Amb28436709 [0,0,1,0,0,1|2,0,0]=4 2173 B13R1.348 C\C(=C/c1ccccc1)CC(N)=O Amb33513125 [0,0,1,0,0,1|2,0,0]=4 2174 B13R1.348 C\C(=C\c1ccccc1)NC(N)=O Amb26490847 [0,0,1,0,0,1|2,0,0]=4 2175 B13R1.348 NC(=O)CC(=O)Nc1cccnc1 Amb27825994 [0,0,1,0,0,1|1,0,1]=4 2176 B13R1.348 O=C(O)CC(=O)Nc1ccccc1 Amb2436726 [0,0,1,0,0,1|2,0,0]=4 2177 B13R1.348 O=C(O)CC(=O)Nc1ccncc1 Amb18295926 [0,0,1,0,0,1|1,0,0]=3 2178 B13R1.351 C=C(Cl)C(=O)NCc1ccccc1 Amb27449585 [0,0,1,0,0,1|2,0,0]=4 2179 B13R1.351 CC(=O)C(=O)NCc1ccncc1 Amb17400656 [0,0,1,0,0,1|0,0,2]=4 2180 B13R1.351 CC(O)C(=O)NCc1ccncc1 Amb17400770 [0,0,1,0,0,1|0,0,2]=4 2181 B13R1.351 C[C@H](O)C(=O)NCc1ccncc1 Amb27769454 [0,0,1,0,0,1|0,0,2]=4 2182 B13R1.351 C[C@H](O)C(=O)NNc1ccncc1 Amb28350892 [0,0,1,0,0,1|0,0,2]=4 2183 B13R1.351 NC(=O)C(=O)NCc1cccnc1 Amb1830622 [0,0,1,0,0,1|0,0,2]=4 2184 B13R1.351 N\C(=C\Cc1cccnc1)C(=O)O Amb28370348 [0,0,1,0,0,1|2,0,0]=4 2185 B13R1.351 O=C(O)C(=O)NCc1ccccc1 Amb838961 [0,0,1,0,0,1|2,0,0]=4 2186 B13R1.351 O=C(O)C(=O)NCc1ccncc1 Amb9304023 [0,0,1,0,0,1|1,0,0]=3 2187 B13R1.351 O=C(O)C(=O)NNc1ccccc1 Amb18128574 [0,0,1,0,0,1|2,0,0]=4 2188 B13R1.351 O=C(O)C(=O)\C=C\c1cccnc1 Amb17470559 [0,0,1,0,0,1|1,0,1]=4 2189 B13R1.351 O=C(O)C(=O)\C=C\c1ccncc1 Amb17470560 [0,0,1,0,0,1|2,0,0]=4 2190 B13R1.528 C\C(C=O)=C\Nc1ccccc1N Amb27751221 [0,0,1,0,0,1|2,0,0]=4 2191 B13R1.528 Cc1ccccc1N\C=C(/O)C=O Amb28129816 [0,0,1,0,0,1|2,0,0]=4 2192 B13R1.528 Cc1cnccc1CNC(=O)CO Amb27982795 [0,0,1,0,0,1|0,0,2]=4 2193 B13R1.528 O=C\C(O)=C/Nc1ccccc1O Amb27185973 [0,0,1,0,0,1|2,0,0]=4 2194 B13R2.33 CC1=NNc2ccccc2C=C1 Amb27421335 [1,0,0,0,0,1|2,0,0]=4 2195 B13R2.33 NC1=NNc2ccccc2C=C1 Amb27974235 [1,0,0,0,0,1|2,0,0]=4 2196 B13R2.33 O=C1C=Cc2ccccc2C=C1 Amb21952910 [1,0,0,0,0,1|2,0,0]=4 2197 B13R2.33 O=C1C=Cc2ccccc2CC1 Amb17593958 [1,0,0,0,0,1|2,0,0]=4 2198 B13R2.33 O=C1C=Cc2ccccc2CN1 Amb8630983 [1,0,0,0,0,1|1,0,0]=3 2199 B13R2.33 O=C1C=Cc2ccccc2OC1 Amb27175937 [1,0,0,0,0,1|2,0,0]=4 2200 B13R2.33 O=C1C=Nc2ccccc2CN1 Amb27643583 [1,0,0,0,0,1|2,0,0]=4