0 B12R1.8 BrCCCCCc1ccccc1 Amb2685449 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.8 BrCCCCOc1ccccc1 Amb2795770 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.8 BrCCCCSc1ccccc1 Amb8855496 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.8 BrCCCOCc1ccccc1 Amb2722973 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.8 BrCCCSCc1ccccc1 Amb9305027 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.8 BrCCC\C=C\c1ccccc1 Amb33081215 [0,0,0,0,0,0|1,0,2]=3 6 B12R1.8 BrCCOCCc1ccccc1 Amb9208563 [0,0,0,0,0,0|2,0,0]=2 7 B12R1.8 C#CCCC#Cc1ccccc1 Amb8389991 [0,0,0,0,0,0|1,0,3]=4 8 B12R1.8 C#CCCCCc1ccccc1 Amb18116407 [0,0,0,0,0,0|1,0,1]=2 9 B12R1.8 C#CCCCNc1ccccc1 Amb28186421 [0,0,0,0,0,0|2,0,1]=3 10 B12R1.8 C#CCCCNc1ccccn1 Amb27485051 [0,0,0,0,0,0|3,0,1]=4 11 B12R1.8 C#CCCCOc1ccccc1 Amb32955621 [0,0,0,0,0,0|2,0,1]=3 12 B12R1.8 C#CCCNCc1ccccc1 Amb26644765 [0,0,0,0,0,0|2,0,1]=3 13 B12R1.8 C#CCCOCc1ccccc1 Amb27668798 [0,0,0,0,0,0|2,0,1]=3 14 B12R1.8 C#CCC\C=C\c1ccccc1 Amb33081070 [0,0,0,0,0,0|1,0,3]=4 15 B12R1.8 C#CCNCCc1ccccc1 Amb5262796 [0,0,0,0,0,0|2,0,1]=3 16 B12R1.8 C#CCNOCc1ccccc1 Amb25282219 [0,0,0,0,0,0|3,0,1]=4 17 B12R1.8 C=CCCC#Cc1ccccc1 Amb29867189 [0,0,0,0,0,0|1,0,3]=4 18 B12R1.8 C=CCCCCc1ccccc1 Amb19930233 [0,0,0,0,0,0|1,0,1]=2 19 B12R1.8 C=CCCNCc1ccccc1 Amb6384625 [0,0,0,0,0,0|2,0,1]=3 20 B12R1.8 C=CCCOCc1ccccc1 Amb26862285 [0,0,0,0,0,0|2,0,1]=3 21 B12R1.8 C=CCNCCc1ccccc1 Amb2119614 [0,0,0,0,0,0|2,0,1]=3 22 B12R1.8 C=CCNCCc1ccccc1 Amb6683808 [0,0,0,0,0,0|2,0,1]=3 23 B12R1.8 C=CCNOCc1ccccc1 Amb27234127 [0,0,0,0,0,0|3,0,1]=4 24 B12R1.8 C=CCONCc1ccccc1 Amb24725564 [0,0,0,0,0,0|3,0,1]=4 25 B12R1.8 CC#CCCCc1ccccc1 Amb4035132 [0,0,0,0,0,0|1,0,2]=3 26 B12R1.8 CC#CCCOc1ccccc1 Amb28319686 [0,0,0,0,0,0|2,0,2]=4 27 B12R1.8 CC#CCNCc1ccccc1 Amb10233665 [0,0,0,0,0,0|2,0,2]=4 28 B12R1.8 CC#CCNCc1ccccc1 Amb4084953 [0,0,0,0,0,0|2,0,2]=4 29 B12R1.8 CCCCCCc1ccccc1 Amb6613187 [0,0,0,0,0,0|1,0,0]=1 30 B12R1.8 CCCCCCc1ccccn1 Amb6357996 [0,0,0,0,0,0|2,0,0]=2 31 B12R1.8 CCCCCCc1cccnc1 Amb10807465 [0,0,0,0,0,0|2,0,0]=2 32 B12R1.8 CCCCCCc1ccncc1 Amb22235257 [0,0,0,0,0,0|2,0,0]=2 33 B12R1.8 CCCCCCc1cnccn1 Amb22235243 [0,0,0,0,0,0|3,0,0]=3 34 B12R1.8 CCCCCOc1ccccc1 Amb1106330 [0,0,0,0,0,0|2,0,0]=2 35 B12R1.8 CCCCCOc1ccccn1 Amb22546240 [0,0,0,0,0,0|3,0,0]=3 36 B12R1.8 CCCCNCc1ccccc1 Amb2684625 [0,0,0,0,0,0|2,0,0]=2 37 B12R1.8 CCCCNCc1ccccn1 Amb20673556 [0,0,0,0,0,0|3,0,0]=3 38 B12R1.8 CCCCNCc1ccccn1 Amb2592505 [0,0,0,0,0,0|3,0,0]=3 39 B12R1.8 CCCCNCc1ccccn1 Amb6865336 [0,0,0,0,0,0|3,0,0]=3 40 B12R1.8 CCCCNCc1cccnc1 Amb20673559 [0,0,0,0,0,0|3,0,0]=3 41 B12R1.8 CCCCNCc1cccnc1 Amb6690982 [0,0,0,0,0,0|3,0,0]=3 42 B12R1.8 CCCCNCc1cccnc1 Amb6864497 [0,0,0,0,0,0|3,0,0]=3 43 B12R1.8 CCCCNCc1ccncc1 Amb20673560 [0,0,0,0,0,0|3,0,0]=3 44 B12R1.8 CCCCNCc1ccncc1 Amb6690985 [0,0,0,0,0,0|3,0,0]=3 45 B12R1.8 CCCCNCc1ccncc1 Amb6864523 [0,0,0,0,0,0|3,0,0]=3 46 B12R1.8 CCCCNCc1ccncn1 Amb18798472 [0,0,0,0,0,0|4,0,0]=4 47 B12R1.8 CCCCNCc1cncnc1 Amb18798471 [0,0,0,0,0,0|4,0,0]=4 48 B12R1.8 CCCCSSc1ccccn1 Amb24101204 [0,0,0,0,0,0|4,0,0]=4 49 B12R1.8 CCCC\C=C/c1ccccc1 Amb22546625 [0,0,0,0,0,0|1,0,2]=3 50 B12R1.8 CCCC\C=C\c1ccccn1 Amb19148732 [0,0,0,0,0,0|2,0,2]=4 51 B12R1.8 CCCNCCc1ccccc1 Amb2119486 [0,0,0,0,0,0|2,0,0]=2 52 B12R1.8 CCCNCCc1ccccc1 Amb4358610 [0,0,0,0,0,0|2,0,0]=2 53 B12R1.8 CCCNCCc1ccccn1 Amb6357625 [0,0,0,0,0,0|3,0,0]=3 54 B12R1.8 CCCNCCc1ccncc1 Amb2592521 [0,0,0,0,0,0|3,0,0]=3 55 B12R1.8 CCCNCCc1ncccn1 Amb18798464 [0,0,0,0,0,0|4,0,0]=4 56 B12R1.8 CCCNOCc1ccccc1 Amb26553937 [0,0,0,0,0,0|3,0,0]=3 57 B12R1.8 CCCOCCc1ccccn1 Amb2694532 [0,0,0,0,0,0|3,0,0]=3 58 B12R1.8 CCC\C=C/Cc1ccccc1 Amb22546636 [0,0,0,0,0,0|1,0,2]=3 59 B12R1.8 CCNCC#Cc1ccccc1 Amb18800149 [0,0,0,0,0,0|2,0,2]=4 60 B12R1.8 CCNCCCc1ccccc1 Amb2094490 [0,0,0,0,0,0|2,0,0]=2 61 B12R1.8 CCNCCCc1ccccc1 Amb6247947 [0,0,0,0,0,0|2,0,0]=2 62 B12R1.8 CCNCCOc1ccccc1 Amb2099717 [0,0,0,0,0,0|3,0,0]=3 63 B12R1.8 CCNCCOc1ccccc1 Amb6374462 [0,0,0,0,0,0|3,0,0]=3 64 B12R1.8 CCNCCSc1ccccc1 Amb10608724 [0,0,0,0,0,0|3,0,0]=3 65 B12R1.8 CCNCCSc1ccccn1 Amb19045126 [0,0,0,0,0,0|4,0,0]=4 66 B12R1.8 CCNCCSc1ccccn1 Amb32662329 [0,0,0,0,0,0|4,0,0]=4 67 B12R1.8 CCNC\C=C\c1ccccc1 Amb6864716 [0,0,0,0,0,0|2,0,2]=4 68 B12R1.8 CCNC\C=C\c1ccccc1 Amb837817 [0,0,0,0,0,0|2,0,2]=4 69 B12R1.8 CCOCOCc1ccccc1 Amb27830530 [0,0,0,0,0,0|3,0,0]=3 70 B12R1.8 CCSCCNc1ccccc1 Amb17307513 [0,0,0,0,0,0|3,0,0]=3 71 B12R1.8 CNCCCCc1ccccc1 Amb10068774 [0,0,0,0,0,0|2,0,0]=2 72 B12R1.8 CNCCCCc1ccccc1 Amb8841760 [0,0,0,0,0,0|2,0,0]=2 73 B12R1.8 CNCCCNc1ccccc1 Amb13951704 [0,0,0,0,0,0|3,0,0]=3 74 B12R1.8 CNCCCOc1ccccc1 Amb30982582 [0,0,0,0,0,0|3,0,0]=3 75 B12R1.8 CNCCCOc1ccccc1 Amb6893131 [0,0,0,0,0,0|3,0,0]=3 76 B12R1.8 CNCCCSc1ccccc1 Amb10608730 [0,0,0,0,0,0|3,0,0]=3 77 B12R1.8 CNCCCSc1ccccc1 Amb22588097 [0,0,0,0,0,0|3,0,0]=3 78 B12R1.8 CNCCNCc1ccccc1 Amb9200691 [0,0,0,0,0,0|3,0,0]=3 79 B12R1.8 CNCCNCc1ccccn1 Amb18798456 [0,0,0,0,0,0|4,0,0]=4 80 B12R1.8 CNCCNCc1cccnc1 Amb18798457 [0,0,0,0,0,0|4,0,0]=4 81 B12R1.8 CNCCNCc1ccncc1 Amb20414384 [0,0,0,0,0,0|4,0,0]=4 82 B12R1.8 CNCCOCc1ccccc1 Amb20668782 [0,0,0,0,0,0|3,0,0]=3 83 B12R1.8 CNCCOCc1ccccc1 Amb6374318 [0,0,0,0,0,0|3,0,0]=3 84 B12R1.8 CNCCSCc1ccccc1 Amb18809641 [0,0,0,0,0,0|3,0,0]=3 85 B12R1.8 CNCCSCc1ccccn1 Amb21984677 [0,0,0,0,0,0|4,0,0]=4 86 B12R1.8 CNCCSCc1cccnc1 Amb21984678 [0,0,0,0,0,0|4,0,0]=4 87 B12R1.8 CNCC\C=C\c1ccccc1 Amb32954379 [0,0,0,0,0,0|2,0,2]=4 88 B12R1.8 COCCCNc1ccccc1 Amb17232551 [0,0,0,0,0,0|3,0,0]=3 89 B12R1.8 COCCNCc1ccccc1 Amb33387674 [0,0,0,0,0,0|3,0,0]=3 90 B12R1.8 COCCNCc1ccccc1 Amb6410960 [0,0,0,0,0,0|3,0,0]=3 91 B12R1.8 COCCNCc1ccccn1 Amb1663439 [0,0,0,0,0,0|4,0,0]=4 92 B12R1.8 COCCNCc1ccccn1 Amb17622505 [0,0,0,0,0,0|4,0,0]=4 93 B12R1.8 COCCNCc1cccnc1 Amb2592096 [0,0,0,0,0,0|4,0,0]=4 94 B12R1.8 COCCNCc1cccnc1 Amb6865386 [0,0,0,0,0,0|4,0,0]=4 95 B12R1.8 COCCNCc1ccncc1 Amb2592093 [0,0,0,0,0,0|4,0,0]=4 96 B12R1.8 COCCNCc1ccncc1 Amb6865384 [0,0,0,0,0,0|4,0,0]=4 97 B12R1.8 COCCOCc1ccccc1 Amb27467682 [0,0,0,0,0,0|3,0,0]=3 98 B12R1.8 CONCCCc1ccccc1 Amb32411014 [0,0,0,0,0,0|3,0,0]=3 99 B12R1.8 CSCCCNc1cccnc1 Amb28555677 [0,0,0,0,0,0|4,0,0]=4 100 B12R1.8 CSCCCNc1cccnc1 Amb6719789 [0,0,0,0,0,0|4,0,0]=4 101 B12R1.8 C\C=C\CCNc1ccccc1 Amb28119164 [0,0,0,0,0,0|2,0,2]=4 102 B12R1.8 ClCC#CCCc1ccccc1 Amb27758730 [0,0,0,0,0,0|1,0,2]=3 103 B12R1.8 ClCC#CCSc1ccccc1 Amb27657584 [0,0,0,0,0,0|2,0,2]=4 104 B12R1.8 ClCCCC#Cc1cccnc1 Amb27955896 [0,0,0,0,0,0|2,0,2]=4 105 B12R1.8 ClCCCC#Cc1ccncc1 Amb27770836 [0,0,0,0,0,0|2,0,2]=4 106 B12R1.8 ClCCCCCc1ccccc1 Amb10808064 [0,0,0,0,0,0|1,0,0]=1 107 B12R1.8 ClCCCCOc1ccccc1 Amb3940274 [0,0,0,0,0,0|2,0,0]=2 108 B12R1.8 ClCCCCSc1ccccc1 Amb18331364 [0,0,0,0,0,0|2,0,0]=2 109 B12R1.8 ClCCCNCc1ccccc1 Amb10766327 [0,0,0,0,0,0|2,0,0]=2 110 B12R1.8 ClCCCNCc1ccccc1 Amb27857637 [0,0,0,0,0,0|2,0,0]=2 111 B12R1.8 ClCCCNCc1ccccn1 Amb20573480 [0,0,0,0,0,0|3,0,0]=3 112 B12R1.8 ClCCCNCc1cccnc1 Amb20573314 [0,0,0,0,0,0|3,0,0]=3 113 B12R1.8 ClCCCNCc1ccncc1 Amb20573340 [0,0,0,0,0,0|3,0,0]=3 114 B12R1.8 ClCCCNCc1ccncc1 Amb20623668 [0,0,0,0,0,0|3,0,0]=3 115 B12R1.8 ClCCCOCc1ccccc1 Amb6255314 [0,0,0,0,0,0|2,0,0]=2 116 B12R1.8 ClCCN=C=Nc1ccccc1 Amb27454840 [0,0,0,0,0,0|3,0,1]=4 117 B12R1.8 ClCCNOCc1ccccc1 Amb27659332 [0,0,0,0,0,0|3,0,0]=3 118 B12R1.8 ClCOCOCc1ccccc1 Amb27444693 [0,0,0,0,0,0|3,0,0]=3 119 B12R1.8 ClC\C=C\CNc1ccccc1 Amb27806651 [0,0,0,0,0,0|2,0,2]=4 120 B12R1.8 FCCCNCc1ccccc1 Amb27172983 [0,0,0,0,0,0|2,0,0]=2 121 B12R1.8 FCCN\C=N\c1ccccc1 Amb26869476 [0,0,0,0,0,0|3,0,1]=4 122 B12R1.8 ICCCCCc1ccccc1 Amb32411025 [0,0,0,0,0,0|1,0,0]=1 123 B12R1.8 ICCCOCc1ccccc1 Amb26539397 [0,0,0,0,0,0|2,0,0]=2 124 B12R1.8 N#CCCCCc1ccccc1 Amb8392139 [0,0,0,0,0,0|1,0,1]=2 125 B12R1.8 N#CCCCNc1ccccn1 Amb27971997 [0,0,0,0,0,0|3,0,1]=4 126 B12R1.8 N#CCCCOc1ccccc1 Amb446865 [0,0,0,0,0,0|2,0,1]=3 127 B12R1.8 N#CCCCOc1ccccn1 Amb19374567 [0,0,0,0,0,0|3,0,1]=4 128 B12R1.8 N#CCCNCc1ccccc1 Amb4244013 [0,0,0,0,0,0|2,0,1]=3 129 B12R1.8 N#CCCNCc1ccccc1 Amb575385 [0,0,0,0,0,0|2,0,1]=3 130 B12R1.8 N#CCCNCc1ccccn1 Amb6736564 [0,0,0,0,0,0|3,0,1]=4 131 B12R1.8 N#CCCNCc1cccnc1 Amb1651452 [0,0,0,0,0,0|3,0,1]=4 132 B12R1.8 N#CCCNCc1ccncc1 Amb2724266 [0,0,0,0,0,0|3,0,1]=4 133 B12R1.8 N#CCCNNc1ccccc1 Amb17594020 [0,0,0,0,0,0|3,0,1]=4 134 B12R1.8 N#CCCOCc1ccccc1 Amb6257990 [0,0,0,0,0,0|2,0,1]=3 135 B12R1.8 N#CCCSCc1ccccc1 Amb4010928 [0,0,0,0,0,0|2,0,1]=3 136 B12R1.8 N#CCC\C=C\c1ccccc1 Amb33081785 [0,0,0,0,0,0|1,0,3]=4 137 B12R1.8 N#CCNCCc1ccccc1 Amb6711714 [0,0,0,0,0,0|2,0,1]=3 138 B12R1.8 N#CCOCCc1ccccc1 Amb3992260 [0,0,0,0,0,0|2,0,1]=3 139 B12R1.8 N#CCOCCc1ccccn1 Amb9208820 [0,0,0,0,0,0|3,0,1]=4 140 B12R1.8 NCC#CCOc1ccccc1 Amb27165675 [0,0,0,0,0,0|2,0,2]=4 141 B12R1.8 NCC#CCSc1ccccc1 Amb27865516 [0,0,0,0,0,0|2,0,2]=4 142 B12R1.8 NCCC#CCc1ccccc1 Amb27640004 [0,0,0,0,0,0|1,0,2]=3 143 B12R1.8 NCCCCCc1ccccc1 Amb18034503 [0,0,0,0,0,0|1,0,0]=1 144 B12R1.8 NCCCCCc1ccccn1 Amb18563643 [0,0,0,0,0,0|2,0,0]=2 145 B12R1.8 NCCCCNc1ccccn1 Amb13952725 [0,0,0,0,0,0|3,0,0]=3 146 B12R1.8 NCCCCNc1ccnnc1 Amb35745452 [0,0,0,0,0,0|4,0,0]=4 147 B12R1.8 NCCCCOc1ccccc1 Amb482499 [0,0,0,0,0,0|2,0,0]=2 148 B12R1.8 NCCCCOc1ccccc1 Amb9677454 [0,0,0,0,0,0|2,0,0]=2 149 B12R1.8 NCCCCOc1cccnc1 Amb9392841 [0,0,0,0,0,0|3,0,0]=3 150 B12R1.8 NCCCCSc1ccccc1 Amb32662392 [0,0,0,0,0,0|2,0,0]=2 151 B12R1.8 NCCCCSc1ccccc1 Amb9391586 [0,0,0,0,0,0|2,0,0]=2 152 B12R1.8 NCCCCSc1ccccn1 Amb32662413 [0,0,0,0,0,0|3,0,0]=3 153 B12R1.8 NCCCCSc1ccccn1 Amb9391947 [0,0,0,0,0,0|3,0,0]=3 154 B12R1.8 NCCCCSc1ncccn1 Amb32662409 [0,0,0,0,0,0|4,0,0]=4 155 B12R1.8 NCCCCSc1ncccn1 Amb9391422 [0,0,0,0,0,0|4,0,0]=4 156 B12R1.8 NCCCNCc1ccccc1 Amb17720405 [0,0,0,0,0,0|2,0,0]=2 157 B12R1.8 NCCCNCc1ccccc1 Amb6774034 [0,0,0,0,0,0|2,0,0]=2 158 B12R1.8 NCCCNCc1ccccn1 Amb17315287 [0,0,0,0,0,0|3,0,0]=3 159 B12R1.8 NCCCNCc1cccnc1 Amb17315286 [0,0,0,0,0,0|3,0,0]=3 160 B12R1.8 NCCCNCc1ccncc1 Amb17315285 [0,0,0,0,0,0|3,0,0]=3 161 B12R1.8 NCCCOCc1ccccc1 Amb1217769 [0,0,0,0,0,0|2,0,0]=2 162 B12R1.8 NCCCSCc1ccccc1 Amb6265633 [0,0,0,0,0,0|2,0,0]=2 163 B12R1.8 NCCC\C=C\c1ccccc1 Amb18563531 [0,0,0,0,0,0|1,0,2]=3 164 B12R1.8 NCCNCCc1ccccc1 Amb1086596 [0,0,0,0,0,0|2,0,0]=2 165 B12R1.8 NCCNOCc1ccccc1 Amb26336084 [0,0,0,0,0,0|3,0,0]=3 166 B12R1.8 NCCNOCc1ccccc1 Amb32645664 [0,0,0,0,0,0|3,0,0]=3 167 B12R1.8 NCCOCCc1ccccc1 Amb33547794 [0,0,0,0,0,0|2,0,0]=2 168 B12R1.8 NCCOCCc1ccccc1 Amb7790966 [0,0,0,0,0,0|2,0,0]=2 169 B12R1.8 NC\C=C\CCc1ccccc1 Amb32951855 [0,0,0,0,0,0|1,0,2]=3 170 B12R1.8 NC\C=C\COc1ccccc1 Amb32428654 [0,0,0,0,0,0|2,0,2]=4 171 B12R1.8 NNCCCOc1ccccc1 Amb19373220 [0,0,0,0,0,0|3,0,0]=3 172 B12R1.8 NNCCCOc1ccccc1 Amb33624816 [0,0,0,0,0,0|3,0,0]=3 173 B12R1.8 NNCCOCc1ccccc1 Amb27255784 [0,0,0,0,0,0|3,0,0]=3 174 B12R1.8 NNCCOCc1ccccc1 Amb32668730 [0,0,0,0,0,0|3,0,0]=3 175 B12R1.8 NOCCOCc1ccccc1 Amb26593148 [0,0,0,0,0,0|3,0,0]=3 176 B12R1.8 NOCC\C=C\c1ccccc1 Amb18563583 [0,0,0,0,0,0|2,0,2]=4 177 B12R1.8 O=C=NCCCc1ccccc1 Amb5750728 [0,0,0,0,0,0|1,0,2]=3 178 B12R1.8 O=C=NCCCc1cccnc1 Amb31094170 [0,0,0,0,0,0|2,0,2]=4 179 B12R1.8 O=C=NCCCc1ccncc1 Amb31094171 [0,0,0,0,0,0|2,0,2]=4 180 B12R1.8 O=C=NCCOc1ccccc1 Amb13783673 [0,0,0,0,0,0|2,0,2]=4 181 B12R1.8 O=CCCCCc1ccccc1 Amb18798121 [0,0,0,0,0,0|0,0,2]=2 182 B12R1.8 O=CCCCOc1ccccc1 Amb18798283 [0,0,0,0,0,0|1,0,2]=3 183 B12R1.8 O=CCCOCc1ccccc1 Amb8394259 [0,0,0,0,0,0|1,0,2]=3 184 B12R1.8 O=CCCSCc1ccccc1 Amb18791178 [0,0,0,0,0,0|1,0,2]=3 185 B12R1.8 O=CCC\C=C\c1ccccc1 Amb18645368 [0,0,0,0,0,0|0,0,4]=4 186 B12R1.8 O=C\C=C\CCc1ccccc1 Amb32954855 [0,0,0,0,0,0|0,0,4]=4 187 B12R1.8 OCC#CCCc1ccccc1 Amb27853908 [0,0,0,0,0,0|0,0,2]=2 188 B12R1.8 OCC#CCOc1ccccc1 Amb28244225 [0,0,0,0,0,0|1,0,2]=3 189 B12R1.8 OCC#C\C=C\c1ccccc1 Amb27977863 [0,0,0,0,0,0|0,0,4]=4 190 B12R1.8 OCCC#CCc1ccccc1 Amb27981786 [0,0,0,0,0,0|0,0,2]=2 191 B12R1.8 OCCC#CSc1ccccc1 Amb27615563 [0,0,0,0,0,0|1,0,2]=3 192 B12R1.8 OCCC=C=Cc1ccccc1 Amb27972290 [0,0,0,0,0,0|0,0,3]=3 193 B12R1.8 OCCCC#Cc1ccccc1 Amb22730795 [0,0,0,0,0,0|0,0,2]=2 194 B12R1.8 OCCCCOc1ccccc1 Amb9370678 [0,0,0,0,0,0|1,0,0]=1 195 B12R1.8 OCCCNCc1ccccc1 Amb2221510 [0,0,0,0,0,0|1,0,0]=1 196 B12R1.8 OCCCNCc1ccccc1 Amb4017628 [0,0,0,0,0,0|1,0,0]=1 197 B12R1.8 OCCCNCc1ccccn1 Amb33527209 [0,0,0,0,0,0|2,0,0]=2 198 B12R1.8 OCCCNCc1cccnc1 Amb2114454 [0,0,0,0,0,0|2,0,0]=2 199 B12R1.8 OCCCNCc1cccnc1 Amb33527208 [0,0,0,0,0,0|2,0,0]=2 200 B12R1.8 OCCCNCc1ccncc1 Amb22588118 [0,0,0,0,0,0|2,0,0]=2 201 B12R1.8 OCCCNCc1ccncc1 Amb6356097 [0,0,0,0,0,0|2,0,0]=2 202 B12R1.8 OCCCOCc1ccccc1 Amb4035606 [0,0,0,0,0,0|1,0,0]=1 203 B12R1.8 OCCCSCc1ccccc1 Amb6359471 [0,0,0,0,0,0|1,0,0]=1 204 B12R1.8 OCCC\C=C\c1ccccc1 Amb33082089 [0,0,0,0,0,0|0,0,2]=2 205 B12R1.8 OCCNCCc1ccccc1 Amb6711760 [0,0,0,0,0,0|1,0,0]=1 206 B12R1.8 OCCNCCc1ccncc1 Amb1028249 [0,0,0,0,0,0|2,0,0]=2 207 B12R1.8 OCCNOCc1ccccc1 Amb27658441 [0,0,0,0,0,0|2,0,0]=2 208 B12R1.8 OCCN\C=C\c1ccccc1 Amb25087866 [0,0,0,0,0,0|1,0,2]=3 209 B12R1.8 OCCOCCc1ccccc1 Amb18801040 [0,0,0,0,0,0|1,0,0]=1 210 B12R1.8 OCCSCCc1ccccn1 Amb10608714 [0,0,0,0,0,0|2,0,0]=2 211 B12R1.8 OCCSCCc1ccncc1 Amb8503796 [0,0,0,0,0,0|2,0,0]=2 212 B12R1.8 OCOCOCc1ccccc1 Amb25803238 [0,0,0,0,0,0|2,0,0]=2 213 B12R1.8 OC\C=C\C#Cc1ccccc1 Amb17593957 [0,0,0,0,0,0|0,0,4]=4 214 B12R1.8 OC\C=C\C=C\c1ccccc1 Amb33081530 [0,0,0,0,0,0|0,0,4]=4 215 B12R1.8 OC\C=C\CCc1ccccc1 Amb33082995 [0,0,0,0,0,0|0,0,2]=2 216 B12R1.8 ONCCCCc1ccccc1 Amb32679349 [0,0,0,0,0,0|1,0,0]=1 217 B12R1.8 ONCCCCc1ccccc1 Amb32679459 [0,0,0,0,0,0|1,0,0]=1 218 B12R1.8 O\C=C/NCCc1ccccc1 Amb27975397 [0,0,0,0,0,0|1,0,2]=3 219 B12R1.8 S=C=NCCCc1ccccc1 Amb5750753 [0,0,0,0,0,0|1,1,1]=3 220 B12R1.8 S=C=NCCOc1ccccc1 Amb17233560 [0,0,0,0,0,0|2,1,1]=4 221 B12R1.8 S=C=NCCSc1ccccc1 Amb2371165 [0,0,0,0,0,0|2,1,1]=4 222 B12R1.8 SCCC\C=C\c1ccccc1 Amb33081102 [0,0,0,0,0,0|0,1,2]=3 223 B12R1.8 [C-]#[N+]CCCCc1ccccc1 Amb2690273 [0,0,0,0,0,0|2,0,0]=2 224 B12R1.8 [C-]#[N+]CCCOc1ccccc1 Amb33080522 [0,0,0,0,0,0|3,0,0]=3 225 B12R1.8 [C-]#[N+]CC\C=C\c1ccccc1 Amb33081344 [0,0,0,0,0,0|2,0,2]=4 226 B12R1.8 [N-]=[N+]=NCCCc1ccccc1 Amb10572439 [0,0,0,0,0,0|3,0,0]=3 227 B12R1.8 [N-]=[N+]=NCCOc1ccccc1 Amb18788168 [0,0,0,0,0,0|4,0,0]=4 228 B12R1.8 [N-]=[N+]=NCOCc1ccccc1 Amb27863974 [0,0,0,0,0,0|4,0,0]=4 229 B11R1.28 BrCCCCc1ccccc1 Amb2685395 [1,0,0,0,0,0|1,0,0]=2 230 B11R1.28 BrCCCOc1ccccc1 Amb1154134 [1,0,0,0,0,0|2,0,0]=3 231 B11R1.28 BrCCCOc1cccnc1 Amb22900113 [1,0,0,0,0,0|3,0,0]=4 232 B11R1.28 BrCCCSc1ccncc1 Amb27671139 [1,0,0,0,0,0|3,0,0]=4 233 B11R1.28 BrCCNCc1ccccc1 Amb18131678 [1,0,0,0,0,0|2,0,0]=3 234 B11R1.28 BrCCOCc1ccccc1 Amb3941567 [1,0,0,0,0,0|2,0,0]=3 235 B11R1.28 BrCCSCc1ccccc1 Amb9305028 [1,0,0,0,0,0|2,0,0]=3 236 B11R1.28 BrCC\C=C\c1ccccc1 Amb17140564 [1,0,0,0,0,0|1,0,2]=4 237 B11R1.28 Br[Mg]CCCc1ccccc1 Amb6300511 [1,0,0,0,0,0|2,0,0]=3 238 B11R1.28 C#CCCCc1ccccc1 Amb10071067 [1,0,0,0,0,0|0,0,2]=3 239 B11R1.28 C#CCCOc1ccccc1 Amb25885800 [1,0,0,0,0,0|1,0,2]=4 240 B11R1.28 C#CCNCc1ccccc1 Amb21972217 [1,0,0,0,0,0|1,0,2]=4 241 B11R1.28 C#CCNCc1ccccc1 Amb4303989 [1,0,0,0,0,0|1,0,2]=4 242 B11R1.28 C#CCOCc1ccccc1 Amb8517297 [1,0,0,0,0,0|1,0,2]=4 243 B11R1.28 C=CCCNc1ccccc1 Amb27495374 [1,0,0,0,0,0|1,0,2]=4 244 B11R1.28 C=CCCOc1ccccc1 Amb27271699 [1,0,0,0,0,0|1,0,2]=4 245 B11R1.28 C=CCCSc1ccccc1 Amb27270191 [1,0,0,0,0,0|1,0,2]=4 246 B11R1.28 C=CCNCc1ccccc1 Amb6683954 [1,0,0,0,0,0|1,0,2]=4 247 B11R1.28 C=CCNCc1ccccc1 Amb6864764 [1,0,0,0,0,0|1,0,2]=4 248 B11R1.28 C=CCOCc1ccccc1 Amb17933917 [1,0,0,0,0,0|1,0,2]=4 249 B11R1.28 CC#CCOc1ccccc1 Amb25119404 [1,0,0,0,0,0|1,0,2]=4 250 B11R1.28 CCCC#Cc1ccccc1 Amb2721608 [1,0,0,0,0,0|0,0,2]=3 251 B11R1.28 CCCCCN1C=CN=CC1 Amb22231341 [1,0,0,0,0,0|2,0,1]=4 252 B11R1.28 CCCCC[n+]1ccccc1 Amb24754723 [1,0,0,0,0,0|1,0,0]=2 253 B11R1.28 CCCCCc1ccccc1 Amb2722921 [1,0,0,0,0,0|0,0,0]=1 254 B11R1.28 CCCCCc1ccccn1 Amb533507 [1,0,0,0,0,0|1,0,0]=2 255 B11R1.28 CCCCCc1cccnc1 Amb17672949 [1,0,0,0,0,0|1,0,0]=2 256 B11R1.28 CCCCCc1ccncc1 Amb17672950 [1,0,0,0,0,0|1,0,0]=2 257 B11R1.28 CCCCCc1cnccn1 Amb9814232 [1,0,0,0,0,0|2,0,0]=3 258 B11R1.28 CCCCNc1ccccc1 Amb3940154 [1,0,0,0,0,0|1,0,0]=2 259 B11R1.28 CCCCNc1ccccn1 Amb6633041 [1,0,0,0,0,0|2,0,0]=3 260 B11R1.28 CCCCNc1cccnc1 Amb6686633 [1,0,0,0,0,0|2,0,0]=3 261 B11R1.28 CCCCNc1ccncc1 Amb6648934 [1,0,0,0,0,0|2,0,0]=3 262 B11R1.28 CCCCNc1cncnc1 Amb27490392 [1,0,0,0,0,0|3,0,0]=4 263 B11R1.28 CCCCNc1ncccn1 Amb6631048 [1,0,0,0,0,0|3,0,0]=4 264 B11R1.28 CCCCOc1ccccc1 Amb2685665 [1,0,0,0,0,0|1,0,0]=2 265 B11R1.28 CCCCOc1ccccn1 Amb4034584 [1,0,0,0,0,0|2,0,0]=3 266 B11R1.28 CCCCOc1cccnc1 Amb25382997 [1,0,0,0,0,0|2,0,0]=3 267 B11R1.28 CCCCSc1ccccc1 Amb3836105 [1,0,0,0,0,0|1,0,0]=2 268 B11R1.28 CCCNCc1ccccc1 Amb1105937 [1,0,0,0,0,0|1,0,0]=2 269 B11R1.28 CCCNCc1ccccc1 Amb6537999 [1,0,0,0,0,0|1,0,0]=2 270 B11R1.28 CCCNCc1ccccn1 Amb19890306 [1,0,0,0,0,0|2,0,0]=3 271 B11R1.28 CCCNCc1ccccn1 Amb19890563 [1,0,0,0,0,0|2,0,0]=3 272 B11R1.28 CCCNCc1ccccn1 Amb2592504 [1,0,0,0,0,0|2,0,0]=3 273 B11R1.28 CCCNCc1cccnc1 Amb19890575 [1,0,0,0,0,0|2,0,0]=3 274 B11R1.28 CCCNCc1cccnc1 Amb6864723 [1,0,0,0,0,0|2,0,0]=3 275 B11R1.28 CCCNCc1cccnc1 Amb838293 [1,0,0,0,0,0|2,0,0]=3 276 B11R1.28 CCCNCc1cccnn1 Amb27271274 [1,0,0,0,0,0|3,0,0]=4 277 B11R1.28 CCCNCc1ccncc1 Amb19890591 [1,0,0,0,0,0|2,0,0]=3 278 B11R1.28 CCCNCc1ccncc1 Amb6864722 [1,0,0,0,0,0|2,0,0]=3 279 B11R1.28 CCCNCc1ccncc1 Amb837657 [1,0,0,0,0,0|2,0,0]=3 280 B11R1.28 CCCNCc1ccncn1 Amb18314599 [1,0,0,0,0,0|3,0,0]=4 281 B11R1.28 CCCNCc1cnccn1 Amb8853764 [1,0,0,0,0,0|3,0,0]=4 282 B11R1.28 CCCNCc1cncnc1 Amb18313855 [1,0,0,0,0,0|3,0,0]=4 283 B11R1.28 CCCSCc1ccccc1 Amb27000631 [1,0,0,0,0,0|1,0,0]=2 284 B11R1.28 CCCSCc1ncccn1 Amb27270164 [1,0,0,0,0,0|3,0,0]=4 285 B11R1.28 CCC\C=C\c1ccccc1 Amb4017967 [1,0,0,0,0,0|0,0,2]=3 286 B11R1.28 CCC\C=N\c1ccccc1 Amb16231172 [1,0,0,0,0,0|1,0,1]=3 287 B11R1.28 CCC\N=C\c1ccccc1 Amb4605889 [1,0,0,0,0,0|1,0,1]=3 288 B11R1.28 CCC\N=C\c1cccnc1 Amb26446590 [1,0,0,0,0,0|2,0,1]=4 289 B11R1.28 CCNCCc1ccccc1 Amb33551205 [1,0,0,0,0,0|1,0,0]=2 290 B11R1.28 CCNCCc1ccccc1 Amb6244873 [1,0,0,0,0,0|1,0,0]=2 291 B11R1.28 CCNCCc1ccccn1 Amb33527538 [1,0,0,0,0,0|2,0,0]=3 292 B11R1.28 CCNCCc1ccncc1 Amb2592520 [1,0,0,0,0,0|2,0,0]=3 293 B11R1.28 CCNCCc1ccncn1 Amb27670958 [1,0,0,0,0,0|3,0,0]=4 294 B11R1.28 CCNCCc1ncccn1 Amb19028710 [1,0,0,0,0,0|3,0,0]=4 295 B11R1.28 CCNOCc1ccccc1 Amb25923077 [1,0,0,0,0,0|2,0,0]=3 296 B11R1.28 CCOCCc1ccccc1 Amb4035236 [1,0,0,0,0,0|1,0,0]=2 297 B11R1.28 CCOCCc1ccccn1 Amb2722907 [1,0,0,0,0,0|2,0,0]=3 298 B11R1.28 CCOCOc1ccccc1 Amb28388170 [1,0,0,0,0,0|2,0,0]=3 299 B11R1.28 CCONCc1ccccc1 Amb25151184 [1,0,0,0,0,0|2,0,0]=3 300 B11R1.28 CCONCc1ccccn1 Amb27987586 [1,0,0,0,0,0|3,0,0]=4 301 B11R1.28 CCONCc1cccnc1 Amb27987598 [1,0,0,0,0,0|3,0,0]=4 302 B11R1.28 CCONCc1ccncc1 Amb27987579 [1,0,0,0,0,0|3,0,0]=4 303 B11R1.28 CCO\C=C\c1ccccc1 Amb4020955 [1,0,0,0,0,0|1,0,2]=4 304 B11R1.28 CCO\C=N\c1ccccc1 Amb9786981 [1,0,0,0,0,0|2,0,1]=4 305 B11R1.28 CCSCCc1ccccn1 Amb27988878 [1,0,0,0,0,0|2,0,0]=3 306 B11R1.28 CCSCCc1cccnc1 Amb27988879 [1,0,0,0,0,0|2,0,0]=3 307 B11R1.28 CCSCCc1ccncc1 Amb27988880 [1,0,0,0,0,0|2,0,0]=3 308 B11R1.28 CCSCSc1ccccn1 Amb27272002 [1,0,0,0,0,0|3,0,0]=4 309 B11R1.28 CC\C=C\Cc1ccncc1 Amb27230808 [1,0,0,0,0,0|1,0,2]=4 310 B11R1.28 CC\C=N\Nc1ccccc1 Amb27258240 [1,0,0,0,0,0|2,0,1]=4 311 B11R1.28 CNCCCc1ccccc1 Amb21954280 [1,0,0,0,0,0|1,0,0]=2 312 B11R1.28 CNCCCc1ccccc1 Amb2721795 [1,0,0,0,0,0|1,0,0]=2 313 B11R1.28 CNCCCc1ccccn1 Amb18312462 [1,0,0,0,0,0|2,0,0]=3 314 B11R1.28 CNCCNc1ccccc1 Amb6825621 [1,0,0,0,0,0|2,0,0]=3 315 B11R1.28 CNCCNc1ccccn1 Amb18313466 [1,0,0,0,0,0|3,0,0]=4 316 B11R1.28 CNCCNc1ccccn1 Amb32757639 [1,0,0,0,0,0|3,0,0]=4 317 B11R1.28 CNCCOc1ccccc1 Amb1105525 [1,0,0,0,0,0|2,0,0]=3 318 B11R1.28 CNCCOc1ccccc1 Amb2691365 [1,0,0,0,0,0|2,0,0]=3 319 B11R1.28 CNCCSc1ccccc1 Amb10608735 [1,0,0,0,0,0|2,0,0]=3 320 B11R1.28 CNCCSc1ccccc1 Amb17622507 [1,0,0,0,0,0|2,0,0]=3 321 B11R1.28 CNCCSc1ccccn1 Amb19024669 [1,0,0,0,0,0|3,0,0]=4 322 B11R1.28 CNCCSc1ccccn1 Amb32662293 [1,0,0,0,0,0|3,0,0]=4 323 B11R1.28 CNCCSc1ccncc1 Amb27671140 [1,0,0,0,0,0|3,0,0]=4 324 B11R1.28 CNC\C=C\c1ccccc1 Amb2114273 [1,0,0,0,0,0|1,0,2]=4 325 B11R1.28 COCC#Cc1ccccc1 Amb25308232 [1,0,0,0,0,0|1,0,2]=4 326 B11R1.28 COCCCc1ccncn1 Amb23453461 [1,0,0,0,0,0|3,0,0]=4 327 B11R1.28 COCCNc1ccccc1 Amb596066 [1,0,0,0,0,0|2,0,0]=3 328 B11R1.28 COCCNc1cccnc1 Amb18268638 [1,0,0,0,0,0|3,0,0]=4 329 B11R1.28 COCCNc1ccncc1 Amb6632784 [1,0,0,0,0,0|3,0,0]=4 330 B11R1.28 COCCOc1ccccc1 Amb4018811 [1,0,0,0,0,0|2,0,0]=3 331 B11R1.28 COCCSc1ccccn1 Amb17760116 [1,0,0,0,0,0|3,0,0]=4 332 B11R1.28 COCNCc1ccccc1 Amb25053350 [1,0,0,0,0,0|2,0,0]=3 333 B11R1.28 CONCCc1cccnc1 Amb27987592 [1,0,0,0,0,0|3,0,0]=4 334 B11R1.28 CONCCc1ccncc1 Amb27987581 [1,0,0,0,0,0|3,0,0]=4 335 B11R1.28 CSCCCc1ccccc1 Amb25383748 [1,0,0,0,0,0|1,0,0]=2 336 B11R1.28 CSCCNc1ccccc1 Amb17307504 [1,0,0,0,0,0|2,0,0]=3 337 B11R1.28 CSCCOc1ccccc1 Amb4020915 [1,0,0,0,0,0|2,0,0]=3 338 B11R1.28 CSCCOc1ccccn1 Amb27988044 [1,0,0,0,0,0|3,0,0]=4 339 B11R1.28 CSCCOc1cccnc1 Amb27492324 [1,0,0,0,0,0|3,0,0]=4 340 B11R1.28 CSCCOc1ccncc1 Amb28387285 [1,0,0,0,0,0|3,0,0]=4 341 B11R1.28 CSCCSc1ccccn1 Amb27988049 [1,0,0,0,0,0|3,0,0]=4 342 B11R1.28 CSCCSc1ccncc1 Amb27988052 [1,0,0,0,0,0|3,0,0]=4 343 B11R1.28 CSCNCc1ccccc1 Amb26414504 [1,0,0,0,0,0|2,0,0]=3 344 B11R1.28 CSC\C=C\c1ccccc1 Amb27261145 [1,0,0,0,0,0|1,0,2]=4 345 B11R1.28 C\C=C\CCc1ccccc1 Amb17940149 [1,0,0,0,0,0|0,0,2]=3 346 B11R1.28 C\C=C\CCc1ccncc1 Amb25830692 [1,0,0,0,0,0|1,0,2]=4 347 B11R1.28 C\C=C\CNc1ccccc1 Amb4016349 [1,0,0,0,0,0|1,0,2]=4 348 B11R1.28 C\C=C\COc1ccccc1 Amb4036065 [1,0,0,0,0,0|1,0,2]=4 349 B11R1.28 ClCC#CCc1ccccc1 Amb24453719 [1,0,0,0,0,0|1,0,2]=4 350 B11R1.28 ClCCCCc1ccccc1 Amb3940707 [1,0,0,0,0,0|1,0,0]=2 351 B11R1.28 ClCCCCc1ccncc1 Amb20622009 [1,0,0,0,0,0|2,0,0]=3 352 B11R1.28 ClCCCCc1cnccn1 Amb27989999 [1,0,0,0,0,0|3,0,0]=4 353 B11R1.28 ClCCCOc1ccccc1 Amb1128627 [1,0,0,0,0,0|2,0,0]=3 354 B11R1.28 ClCCCOc1cccnc1 Amb27266776 [1,0,0,0,0,0|3,0,0]=4 355 B11R1.28 ClCCCOc1ccncc1 Amb27671643 [1,0,0,0,0,0|3,0,0]=4 356 B11R1.28 ClCCCSc1ccccc1 Amb1132759 [1,0,0,0,0,0|2,0,0]=3 357 B11R1.28 ClCCCSc1ccccn1 Amb9305059 [1,0,0,0,0,0|3,0,0]=4 358 B11R1.28 ClCCNCc1ccccc1 Amb2880633 [1,0,0,0,0,0|2,0,0]=3 359 B11R1.28 ClCCNCc1ccccc1 Amb4323279 [1,0,0,0,0,0|2,0,0]=3 360 B11R1.28 ClCCNCc1ccccn1 Amb17334832 [1,0,0,0,0,0|3,0,0]=4 361 B11R1.28 ClCCNCc1cccnc1 Amb17334833 [1,0,0,0,0,0|3,0,0]=4 362 B11R1.28 ClCCNCc1ccncc1 Amb17334834 [1,0,0,0,0,0|3,0,0]=4 363 B11R1.28 ClCCOCc1ccccc1 Amb8391048 [1,0,0,0,0,0|2,0,0]=3 364 B11R1.28 ClCCSCc1ccccc1 Amb9270911 [1,0,0,0,0,0|2,0,0]=3 365 B11R1.28 ClCCSCc1ccccn1 Amb27492364 [1,0,0,0,0,0|3,0,0]=4 366 B11R1.28 ClCCSCc1cccnc1 Amb27492362 [1,0,0,0,0,0|3,0,0]=4 367 B11R1.28 ClCCSCc1ccncc1 Amb27492347 [1,0,0,0,0,0|3,0,0]=4 368 B11R1.28 ClCC\C=C\c1ccccc1 Amb17232628 [1,0,0,0,0,0|1,0,2]=4 369 B11R1.28 ClC\C=N\Cc1ccccc1 Amb26887419 [1,0,0,0,0,0|2,0,1]=4 370 B11R1.28 Cl\C=C\CCc1ccccc1 Amb8392473 [1,0,0,0,0,0|1,0,2]=4 371 B11R1.28 FCCCNc1ccncc1 Amb27448183 [1,0,0,0,0,0|3,0,0]=4 372 B11R1.28 FCCCOc1ccncc1 Amb28387256 [1,0,0,0,0,0|3,0,0]=4 373 B11R1.28 FCCNCc1ccccc1 Amb24611358 [1,0,0,0,0,0|2,0,0]=3 374 B11R1.28 FCCSCc1ccccc1 Amb27271863 [1,0,0,0,0,0|2,0,0]=3 375 B11R1.28 ICCCCc1ccccc1 Amb25380384 [1,0,0,0,0,0|1,0,0]=2 376 B11R1.28 ICCCOc1ccccc1 Amb27271705 [1,0,0,0,0,0|2,0,0]=3 377 B11R1.28 ICCOCc1ccccc1 Amb16191915 [1,0,0,0,0,0|2,0,0]=3 378 B11R1.28 ICC\C=C\c1ccccc1 Amb27261633 [1,0,0,0,0,0|1,0,2]=4 379 B11R1.28 IC\C=C\Cc1ccccc1 Amb28428997 [1,0,0,0,0,0|1,0,2]=4 380 B11R1.28 N#CCCC[n+]1ccccc1 Amb22339033 [1,0,0,0,0,0|2,0,1]=4 381 B11R1.28 N#CCCCc1ccccc1 Amb6251750 [1,0,0,0,0,0|1,0,1]=3 382 B11R1.28 N#CCCCc1ccccn1 Amb1102455 [1,0,0,0,0,0|2,0,1]=4 383 B11R1.28 N#CCCNc1ccccc1 Amb1645915 [1,0,0,0,0,0|2,0,1]=4 384 B11R1.28 N#CCCOc1ccccc1 Amb1202508 [1,0,0,0,0,0|2,0,1]=4 385 B11R1.28 N#CCCSc1ccccc1 Amb4018040 [1,0,0,0,0,0|2,0,1]=4 386 B11R1.28 N#CCNCc1ccccc1 Amb4477202 [1,0,0,0,0,0|2,0,1]=4 387 B11R1.28 N#CCOCc1ccccc1 Amb4011553 [1,0,0,0,0,0|2,0,1]=4 388 B11R1.28 N#CCSCc1ccccc1 Amb6677693 [1,0,0,0,0,0|2,0,1]=4 389 B11R1.28 N#CC[NH2+]Cc1ccccc1 Amb24113886 [1,0,0,0,0,0|2,0,1]=4 390 B11R1.28 N#CNCCc1ccccc1 Amb27763256 [1,0,0,0,0,0|2,0,1]=4 391 B11R1.28 NCCCCc1ccccc1 Amb1227740 [1,0,0,0,0,0|1,0,0]=2 392 B11R1.28 NCCCCc1ccccn1 Amb1102767 [1,0,0,0,0,0|2,0,0]=3 393 B11R1.28 NCCCCc1cccnc1 Amb5735490 [1,0,0,0,0,0|2,0,0]=3 394 B11R1.28 NCCCCc1cccnn1 Amb18201561 [1,0,0,0,0,0|3,0,0]=4 395 B11R1.28 NCCCCc1ccncc1 Amb17991253 [1,0,0,0,0,0|2,0,0]=3 396 B11R1.28 NCCCCc1ccncc1 Amb5735491 [1,0,0,0,0,0|2,0,0]=3 397 B11R1.28 NCCCCc1ccncn1 Amb18831236 [1,0,0,0,0,0|3,0,0]=4 398 B11R1.28 NCCCCc1cnccn1 Amb25385068 [1,0,0,0,0,0|3,0,0]=4 399 B11R1.28 NCCCCc1cncnc1 Amb18125322 [1,0,0,0,0,0|3,0,0]=4 400 B11R1.28 NCCCCc1ncccn1 Amb25385067 [1,0,0,0,0,0|3,0,0]=4 401 B11R1.28 NCCCNc1ccccc1 Amb10086594 [1,0,0,0,0,0|2,0,0]=3 402 B11R1.28 NCCCNc1ccccn1 Amb6260583 [1,0,0,0,0,0|3,0,0]=4 403 B11R1.28 NCCCNc1cccnc1 Amb10607841 [1,0,0,0,0,0|3,0,0]=4 404 B11R1.28 NCCCNc1ccncc1 Amb6261403 [1,0,0,0,0,0|3,0,0]=4 405 B11R1.28 NCCCOc1ccccc1 Amb1108619 [1,0,0,0,0,0|2,0,0]=3 406 B11R1.28 NCCCOc1ccccc1 Amb2606353 [1,0,0,0,0,0|2,0,0]=3 407 B11R1.28 NCCCOc1ccccn1 Amb19020881 [1,0,0,0,0,0|3,0,0]=4 408 B11R1.28 NCCCOc1cccnc1 Amb9392842 [1,0,0,0,0,0|3,0,0]=4 409 B11R1.28 NCCCOc1ccncc1 Amb18308513 [1,0,0,0,0,0|3,0,0]=4 410 B11R1.28 NCCCSc1ccccc1 Amb1089343 [1,0,0,0,0,0|2,0,0]=3 411 B11R1.28 NCCCSc1ccccc1 Amb2099802 [1,0,0,0,0,0|2,0,0]=3 412 B11R1.28 NCCCSc1ccccn1 Amb28960301 [1,0,0,0,0,0|3,0,0]=4 413 B11R1.28 NCCCSc1ccccn1 Amb6667224 [1,0,0,0,0,0|3,0,0]=4 414 B11R1.28 NCCNCc1ccccc1 Amb2725583 [1,0,0,0,0,0|2,0,0]=3 415 B11R1.28 NCCNCc1ccccn1 Amb17091028 [1,0,0,0,0,0|3,0,0]=4 416 B11R1.28 NCCNCc1ccccn1 Amb29844480 [1,0,0,0,0,0|3,0,0]=4 417 B11R1.28 NCCNCc1cccnc1 Amb17091029 [1,0,0,0,0,0|3,0,0]=4 418 B11R1.28 NCCNCc1cccnc1 Amb29844477 [1,0,0,0,0,0|3,0,0]=4 419 B11R1.28 NCCNCc1ccncc1 Amb17091030 [1,0,0,0,0,0|3,0,0]=4 420 B11R1.28 NCCNCc1ccncc1 Amb29844481 [1,0,0,0,0,0|3,0,0]=4 421 B11R1.28 NCCOCc1ccccc1 Amb1081962 [1,0,0,0,0,0|2,0,0]=3 422 B11R1.28 NCCOCc1ccccc1 Amb2137059 [1,0,0,0,0,0|2,0,0]=3 423 B11R1.28 NCCOCc1ccccc1 Amb28524733 [1,0,0,0,0,0|2,0,0]=3 424 B11R1.28 NCCOCc1ccccn1 Amb18181726 [1,0,0,0,0,0|3,0,0]=4 425 B11R1.28 NCCOCc1ccncc1 Amb19020767 [1,0,0,0,0,0|3,0,0]=4 426 B11R1.28 NCCPCc1ccccc1 Amb27990149 [1,0,0,0,0,0|2,0,0]=3 427 B11R1.28 NCCSCc1ccccc1 Amb432271 [1,0,0,0,0,0|2,0,0]=3 428 B11R1.28 NCCSCc1ccccc1 Amb6335199 [1,0,0,0,0,0|2,0,0]=3 429 B11R1.28 NCCSCc1ccccn1 Amb6269451 [1,0,0,0,0,0|3,0,0]=4 430 B11R1.28 NCCSCc1cccnc1 Amb6277252 [1,0,0,0,0,0|3,0,0]=4 431 B11R1.28 NCC\C=C/c1ccccc1 Amb27254115 [1,0,0,0,0,0|1,0,2]=4 432 B11R1.28 NCC\C=C\c1ccccc1 Amb17138419 [1,0,0,0,0,0|1,0,2]=4 433 B11R1.28 NCC\N=C\c1ccccc1 Amb27760044 [1,0,0,0,0,0|2,0,1]=4 434 B11R1.28 NC\C=C\Cc1ccccc1 Amb32951245 [1,0,0,0,0,0|1,0,2]=4 435 B11R1.28 NNCCCc1ccccc1 Amb19373221 [1,0,0,0,0,0|2,0,0]=3 436 B11R1.28 NNCCCc1ccccc1 Amb6252219 [1,0,0,0,0,0|2,0,0]=3 437 B11R1.28 NNCCCc1ccccn1 Amb27671029 [1,0,0,0,0,0|3,0,0]=4 438 B11R1.28 NNCCCc1cccnc1 Amb18125323 [1,0,0,0,0,0|3,0,0]=4 439 B11R1.28 NNCCCc1ccncc1 Amb27671030 [1,0,0,0,0,0|3,0,0]=4 440 B11R1.28 NNCCNc1ccccc1 Amb28365488 [1,0,0,0,0,0|3,0,0]=4 441 B11R1.28 NNCCOc1ccccc1 Amb2792851 [1,0,0,0,0,0|3,0,0]=4 442 B11R1.28 NNCCOc1ccccc1 Amb33624872 [1,0,0,0,0,0|3,0,0]=4 443 B11R1.28 NNCCOc1ccccc1 Amb9677389 [1,0,0,0,0,0|3,0,0]=4 444 B11R1.28 NOCCCc1ccccc1 Amb2610651 [1,0,0,0,0,0|2,0,0]=3 445 B11R1.28 NOCCCc1ccccn1 Amb17089546 [1,0,0,0,0,0|3,0,0]=4 446 B11R1.28 NOCCCc1cccnc1 Amb17089547 [1,0,0,0,0,0|3,0,0]=4 447 B11R1.28 NOCCCc1ccncc1 Amb17089548 [1,0,0,0,0,0|3,0,0]=4 448 B11R1.28 NOCCOc1ccccc1 Amb17088287 [1,0,0,0,0,0|3,0,0]=4 449 B11R1.28 NOCCOc1ccccc1 Amb19894640 [1,0,0,0,0,0|3,0,0]=4 450 B11R1.28 NOCOCc1ccccc1 Amb10606697 [1,0,0,0,0,0|3,0,0]=4 451 B11R1.28 N\N=C\CCc1ccccc1 Amb27649733 [1,0,0,0,0,0|2,0,1]=4 452 B11R1.28 O=C=NCCc1ccccc1 Amb2092802 [1,0,0,0,0,0|1,0,2]=4 453 B11R1.28 O=CCCCc1ccccc1 Amb6306225 [1,0,0,0,0,0|0,0,2]=3 454 B11R1.28 O=CCCCc1ccccn1 Amb22897023 [1,0,0,0,0,0|1,0,2]=4 455 B11R1.28 O=CCCCc1cccnc1 Amb24099514 [1,0,0,0,0,0|1,0,2]=4 456 B11R1.28 O=CCCCc1ccncc1 Amb24099515 [1,0,0,0,0,0|1,0,2]=4 457 B11R1.28 O=CCCOc1ccccc1 Amb5731758 [1,0,0,0,0,0|1,0,2]=4 458 B11R1.28 O=CCCSc1ccccc1 Amb17082943 [1,0,0,0,0,0|1,0,2]=4 459 B11R1.28 O=CCNCc1ccccc1 Amb19886524 [1,0,0,0,0,0|1,0,2]=4 460 B11R1.28 O=CCOCc1ccccc1 Amb3939958 [1,0,0,0,0,0|1,0,2]=4 461 B11R1.28 O=CCSCc1ccccc1 Amb18801121 [1,0,0,0,0,0|1,0,2]=4 462 B11R1.28 O=COCCc1ccccc1 Amb6357955 [1,0,0,0,0,0|1,0,2]=4 463 B11R1.28 OCC#CSc1ccccc1 Amb27641939 [1,0,0,0,0,0|1,0,2]=4 464 B11R1.28 OCCC#Cc1ccccc1 Amb2721612 [1,0,0,0,0,0|0,0,2]=3 465 B11R1.28 OCCC#Cc1ccccn1 Amb22749318 [1,0,0,0,0,0|1,0,2]=4 466 B11R1.28 OCCC#Cc1cccnc1 Amb22749317 [1,0,0,0,0,0|1,0,2]=4 467 B11R1.28 OCCC#Cc1ccncc1 Amb22749294 [1,0,0,0,0,0|1,0,2]=4 468 B11R1.28 OCCCCc1ccccc1 Amb3939083 [1,0,0,0,0,0|0,0,0]=1 469 B11R1.28 OCCCCc1ccccn1 Amb21520414 [1,0,0,0,0,0|1,0,0]=2 470 B11R1.28 OCCCCc1cccnc1 Amb22732495 [1,0,0,0,0,0|1,0,0]=2 471 B11R1.28 OCCCCc1ccncc1 Amb17740015 [1,0,0,0,0,0|1,0,0]=2 472 B11R1.28 OCCCCc1cnccn1 Amb27269855 [1,0,0,0,0,0|2,0,0]=3 473 B11R1.28 OCCCCc1ncccn1 Amb27989793 [1,0,0,0,0,0|2,0,0]=3 474 B11R1.28 OCCCNc1ccccc1 Amb17307125 [1,0,0,0,0,0|1,0,0]=2 475 B11R1.28 OCCCNc1ccccn1 Amb6627879 [1,0,0,0,0,0|2,0,0]=3 476 B11R1.28 OCCCNc1ccncc1 Amb33527020 [1,0,0,0,0,0|2,0,0]=3 477 B11R1.28 OCCCNc1ccncc1 Amb6651953 [1,0,0,0,0,0|2,0,0]=3 478 B11R1.28 OCCCNc1ccncn1 Amb18305868 [1,0,0,0,0,0|3,0,0]=4 479 B11R1.28 OCCCNc1cnccn1 Amb6622041 [1,0,0,0,0,0|3,0,0]=4 480 B11R1.28 OCCCNc1cncnc1 Amb18267814 [1,0,0,0,0,0|3,0,0]=4 481 B11R1.28 OCCCNc1ncccn1 Amb6613017 [1,0,0,0,0,0|3,0,0]=4 482 B11R1.28 OCCCOc1ccccc1 Amb4476987 [1,0,0,0,0,0|1,0,0]=2 483 B11R1.28 OCCCOc1ccccn1 Amb25383036 [1,0,0,0,0,0|2,0,0]=3 484 B11R1.28 OCCCOc1cccnc1 Amb27266775 [1,0,0,0,0,0|2,0,0]=3 485 B11R1.28 OCCCOc1cccnn1 Amb27674344 [1,0,0,0,0,0|3,0,0]=4 486 B11R1.28 OCCCOc1ccncc1 Amb27266485 [1,0,0,0,0,0|2,0,0]=3 487 B11R1.28 OCCCOc1ncccn1 Amb27989310 [1,0,0,0,0,0|3,0,0]=4 488 B11R1.28 OCCCSc1ccccc1 Amb4018847 [1,0,0,0,0,0|1,0,0]=2 489 B11R1.28 OCCCSc1ccccn1 Amb9370833 [1,0,0,0,0,0|2,0,0]=3 490 B11R1.28 OCCCSc1cccnn1 Amb27271620 [1,0,0,0,0,0|3,0,0]=4 491 B11R1.28 OCCCSc1ccncc1 Amb27271641 [1,0,0,0,0,0|2,0,0]=3 492 B11R1.28 OCCCSc1cnccn1 Amb27269178 [1,0,0,0,0,0|3,0,0]=4 493 B11R1.28 OCCC[SiH2]c1ccccc1 Amb27989504 [1,0,0,0,0,0|0,1,0]=2 494 B11R1.28 OCCNCc1ccccc1 Amb1835287 [1,0,0,0,0,0|1,0,0]=2 495 B11R1.28 OCCNCc1ccccc1 Amb6537902 [1,0,0,0,0,0|1,0,0]=2 496 B11R1.28 OCCNCc1ccccn1 Amb2592506 [1,0,0,0,0,0|2,0,0]=3 497 B11R1.28 OCCNCc1cccnc1 Amb2721834 [1,0,0,0,0,0|2,0,0]=3 498 B11R1.28 OCCNCc1cccnn1 Amb27671491 [1,0,0,0,0,0|3,0,0]=4 499 B11R1.28 OCCNCc1ccncc1 Amb4166438 [1,0,0,0,0,0|2,0,0]=3 500 B11R1.28 OCCOCc1ccccc1 Amb3939139 [1,0,0,0,0,0|1,0,0]=2 501 B11R1.28 OCCSCc1ccccc1 Amb2688740 [1,0,0,0,0,0|1,0,0]=2 502 B11R1.28 OCCSCc1ccccn1 Amb9362966 [1,0,0,0,0,0|2,0,0]=3 503 B11R1.28 OCCSCc1cccnc1 Amb9274166 [1,0,0,0,0,0|2,0,0]=3 504 B11R1.28 OCCSCc1ccncc1 Amb9362981 [1,0,0,0,0,0|2,0,0]=3 505 B11R1.28 OCCSCc1ccncn1 Amb28080016 [1,0,0,0,0,0|3,0,0]=4 506 B11R1.28 OCCSCc1ncccn1 Amb18183594 [1,0,0,0,0,0|3,0,0]=4 507 B11R1.28 OCCSSc1ccccn1 Amb27266803 [1,0,0,0,0,0|3,0,0]=4 508 B11R1.28 OCC\C=C\c1ccccc1 Amb33213896 [1,0,0,0,0,0|0,0,2]=3 509 B11R1.28 OCC\C=N\c1ccccc1 Amb27805392 [1,0,0,0,0,0|1,0,1]=3 510 B11R1.28 OCC\N=C\c1cccnc1 Amb28125720 [1,0,0,0,0,0|2,0,1]=4 511 B11R1.28 OCC\N=C\c1ccncc1 Amb26406078 [1,0,0,0,0,0|2,0,1]=4 512 B11R1.28 OC\C=C\Cc1ccccc1 Amb32951814 [1,0,0,0,0,0|0,0,2]=3 513 B11R1.28 OC\C=C\Sc1ccccc1 Amb27164022 [1,0,0,0,0,0|1,0,2]=4 514 B11R1.28 ONCCCc1ccccc1 Amb26650950 [1,0,0,0,0,0|1,0,0]=2 515 B11R1.28 ONCCOc1ccccc1 Amb17088413 [1,0,0,0,0,0|2,0,0]=3 516 B11R1.28 ONC\C=C\c1ccccc1 Amb33081057 [1,0,0,0,0,0|1,0,2]=4 517 B11R1.28 S=C=NCCc1ccccc1 Amb6316073 [1,0,0,0,0,0|1,1,1]=4 518 B11R1.28 SCCCCc1ccccc1 Amb17400224 [1,0,0,0,0,0|0,1,0]=2 519 B11R1.28 SCCCCc1ccccn1 Amb18563822 [1,0,0,0,0,0|1,1,0]=3 520 B11R1.28 SCCCCc1cccnc1 Amb18563823 [1,0,0,0,0,0|1,1,0]=3 521 B11R1.28 SCCCCc1ccncc1 Amb18065469 [1,0,0,0,0,0|1,1,0]=3 522 B11R1.28 SCCCOc1ccccc1 Amb6255479 [1,0,0,0,0,0|1,1,0]=3 523 B11R1.28 SCCCSc1ccncc1 Amb27671142 [1,0,0,0,0,0|2,1,0]=4 524 B11R1.28 SCCNCc1ccccc1 Amb4405222 [1,0,0,0,0,0|1,1,0]=3 525 B11R1.28 SCCNCc1ccccn1 Amb27001186 [1,0,0,0,0,0|2,1,0]=4 526 B11R1.28 SCCNCc1cccnc1 Amb27001194 [1,0,0,0,0,0|2,1,0]=4 527 B11R1.28 SCCNCc1ccncc1 Amb27272069 [1,0,0,0,0,0|2,1,0]=4 528 B11R1.28 SCCOCc1ccccc1 Amb27457406 [1,0,0,0,0,0|1,1,0]=3 529 B11R1.28 SCC\C=C\c1ccccc1 Amb33081762 [1,0,0,0,0,0|0,1,2]=4 530 B11R1.28 [C-]#[N+]CCCc1ccccc1 Amb2690315 [1,0,0,0,0,0|1,0,1]=3 531 B11R1.28 [C-]#[N+]CCOc1ccccc1 Amb27428630 [1,0,0,0,0,0|2,0,1]=4 532 B11R1.28 [N-]=[N+]=NCCc1ccccc1 Amb19149244 [1,0,0,0,0,0|3,0,0]=4 533 B13R1.6 C#CCCCCc1cccc(Br)c1 Amb33433446 [0,1,0,0,0,0|1,0,1]=3 534 B13R1.6 C#CCCCOc1cccc(F)c1 Amb18117966 [0,1,0,0,0,0|2,0,1]=4 535 B13R1.6 C=CCNCCc1cccc(N)c1 Amb18550390 [0,1,0,0,0,0|2,0,1]=4 536 B13R1.6 CCCCCC[n+]1cccc(C)c1 Amb31292503 [0,1,0,0,0,0|2,0,0]=3 537 B13R1.6 CCCCCC[n+]1cccc(C)c1 Amb34913802 [0,1,0,0,0,0|2,0,0]=3 538 B13R1.6 CCCCCCc1cccc(Br)c1 Amb10808077 [0,1,0,0,0,0|1,0,0]=2 539 B13R1.6 CCCCCNc1cc(N)ccn1 Amb17335371 [0,1,0,0,0,0|3,0,0]=4 540 B13R1.6 CCCCCNc1cccc(C)c1 Amb6706711 [0,1,0,0,0,0|2,0,0]=3 541 B13R1.6 CCCCCNc1cccc(F)c1 Amb6711893 [0,1,0,0,0,0|2,0,0]=3 542 B13R1.6 CCCCCNc1cccc(F)n1 Amb18791430 [0,1,0,0,0,0|3,0,0]=4 543 B13R1.6 CCCCCNc1ccnc(Cl)c1 Amb33363407 [0,1,0,0,0,0|3,0,0]=4 544 B13R1.6 CCCCCOc1cc(Cl)ccn1 Amb22276507 [0,1,0,0,0,0|3,0,0]=4 545 B13R1.6 CCCCCOc1cc(N)ccn1 Amb18184781 [0,1,0,0,0,0|3,0,0]=4 546 B13R1.6 CCCCCOc1cccc(N)c1 Amb6249158 [0,1,0,0,0,0|2,0,0]=3 547 B13R1.6 CCCCCSc1cc(Cl)ccn1 Amb22276508 [0,1,0,0,0,0|3,0,0]=4 548 B13R1.6 CCCCNCC1=CC=CC(=O)N1 Amb32721812 [0,1,0,0,0,0|3,0,0]=4 549 B13R1.6 CCCCNCc1cccc(Br)c1 Amb1927260 [0,1,0,0,0,0|2,0,0]=3 550 B13R1.6 CCCCNCc1cccc(Br)c1 Amb6864538 [0,1,0,0,0,0|2,0,0]=3 551 B13R1.6 CCCCNCc1cccc(C)c1 Amb20673538 [0,1,0,0,0,0|2,0,0]=3 552 B13R1.6 CCCCNCc1cccc(C)c1 Amb6690964 [0,1,0,0,0,0|2,0,0]=3 553 B13R1.6 CCCCNCc1cccc(C)n1 Amb2592513 [0,1,0,0,0,0|3,0,0]=4 554 B13R1.6 CCCCNCc1cccc(Cl)c1 Amb19892833 [0,1,0,0,0,0|2,0,0]=3 555 B13R1.6 CCCCNCc1cccc(Cl)c1 Amb6691093 [0,1,0,0,0,0|2,0,0]=3 556 B13R1.6 CCCCNCc1cccc(F)c1 Amb20673543 [0,1,0,0,0,0|2,0,0]=3 557 B13R1.6 CCCCNCc1cccc(F)c1 Amb6690959 [0,1,0,0,0,0|2,0,0]=3 558 B13R1.6 CCCCNCc1cccc(O)c1 Amb19890862 [0,1,0,0,0,0|2,0,0]=3 559 B13R1.6 CCCCNCc1cccc(O)c1 Amb6691097 [0,1,0,0,0,0|2,0,0]=3 560 B13R1.6 CCCCNCc1cncc(Br)c1 Amb22276865 [0,1,0,0,0,0|3,0,0]=4 561 B13R1.6 CCCNCCc1cccc(F)c1 Amb19344041 [0,1,0,0,0,0|2,0,0]=3 562 B13R1.6 CCCNCCc1cccc(F)c1 Amb8853746 [0,1,0,0,0,0|2,0,0]=3 563 B13R1.6 CCCNCCc1cccc(N)c1 Amb18050974 [0,1,0,0,0,0|2,0,0]=3 564 B13R1.6 CCNCCOc1cccc(Br)c1 Amb7760977 [0,1,0,0,0,0|3,0,0]=4 565 B13R1.6 CCNCCOc1cccc(C)c1 Amb7760974 [0,1,0,0,0,0|3,0,0]=4 566 B13R1.6 CCNCCOc1cccc(Cl)c1 Amb22588119 [0,1,0,0,0,0|3,0,0]=4 567 B13R1.6 CCNCCOc1cccc(Cl)c1 Amb7760978 [0,1,0,0,0,0|3,0,0]=4 568 B13R1.6 CCOCCOc1cccc(N)c1 Amb2095282 [0,1,0,0,0,0|3,0,0]=4 569 B13R1.6 CCOCCOc1cccc(N)c1 Amb9024642 [0,1,0,0,0,0|3,0,0]=4 570 B13R1.6 CCSCCOc1cccc(N)c1 Amb9027489 [0,1,0,0,0,0|3,0,0]=4 571 B13R1.6 CNCCCCc1cccc(Br)c1 Amb31157052 [0,1,0,0,0,0|2,0,0]=3 572 B13R1.6 CNCCCCc1cccc(Br)c1 Amb33309544 [0,1,0,0,0,0|2,0,0]=3 573 B13R1.6 CNCCCOc1cccc(Br)c1 Amb7798538 [0,1,0,0,0,0|3,0,0]=4 574 B13R1.6 CNCCCOc1cccc(C)c1 Amb7760958 [0,1,0,0,0,0|3,0,0]=4 575 B13R1.6 CNCCCOc1cccc(Cl)c1 Amb7798548 [0,1,0,0,0,0|3,0,0]=4 576 B13R1.6 CNCCCOc1cccc(F)c1 Amb7798572 [0,1,0,0,0,0|3,0,0]=4 577 B13R1.6 CNCCSCc1cccc(C)c1 Amb18324953 [0,1,0,0,0,0|3,0,0]=4 578 B13R1.6 CNCCSCc1cccc(Cl)c1 Amb20224038 [0,1,0,0,0,0|3,0,0]=4 579 B13R1.6 CNCCSCc1cccc(F)c1 Amb21984681 [0,1,0,0,0,0|3,0,0]=4 580 B13R1.6 COCCCNc1cccc(N)c1 Amb9213209 [0,1,0,0,0,0|3,0,0]=4 581 B13R1.6 COCCCOc1cccc(N)c1 Amb9026892 [0,1,0,0,0,0|3,0,0]=4 582 B13R1.6 COCCNCc1cccc(Br)c1 Amb1836612 [0,1,0,0,0,0|3,0,0]=4 583 B13R1.6 COCCNCc1cccc(C)c1 Amb1836810 [0,1,0,0,0,0|3,0,0]=4 584 B13R1.6 COCCNCc1cccc(Cl)c1 Amb4303629 [0,1,0,0,0,0|3,0,0]=4 585 B13R1.6 COCCNCc1cccc(F)c1 Amb4552690 [0,1,0,0,0,0|3,0,0]=4 586 B13R1.6 COCCNCc1cccc(O)c1 Amb1836877 [0,1,0,0,0,0|3,0,0]=4 587 B13R1.6 COCCOCc1cccc(Br)c1 Amb22058978 [0,1,0,0,0,0|3,0,0]=4 588 B13R1.6 COCCOCc1cccc(N)c1 Amb6252298 [0,1,0,0,0,0|3,0,0]=4 589 B13R1.6 COCCSCc1cccc(N)c1 Amb9305167 [0,1,0,0,0,0|3,0,0]=4 590 B13R1.6 COCOCCc1cccc(F)c1 Amb22641541 [0,1,0,0,0,0|3,0,0]=4 591 B13R1.6 CSCCCOc1cccc(N)c1 Amb17504058 [0,1,0,0,0,0|3,0,0]=4 592 B13R1.6 Cc1cccc(C#CCCCCl)c1 Amb27398178 [0,1,0,0,0,0|1,0,2]=4 593 B13R1.6 Cc1cccc(CCCN=C=O)c1 Amb31094176 [0,1,0,0,0,0|1,0,2]=4 594 B13R1.6 Cc1cccc(CCNCCN)c1 Amb31094269 [0,1,0,0,0,0|2,0,0]=3 595 B13R1.6 Cc1cccc(CCNCCO)c1 Amb17400738 [0,1,0,0,0,0|1,0,0]=2 596 B13R1.6 Cc1cccc(CNCCCN)c1 Amb10075516 [0,1,0,0,0,0|2,0,0]=3 597 B13R1.6 Cc1cccc(CNCCCO)c1 Amb6733573 [0,1,0,0,0,0|1,0,0]=2 598 B13R1.6 Cc1cccc(CSCCC=O)c1 Amb19042837 [0,1,0,0,0,0|1,0,2]=4 599 B13R1.6 Cc1cccc(CSCCCN)c1 Amb10608284 [0,1,0,0,0,0|2,0,0]=3 600 B13R1.6 Cc1cccc(OCCCC#N)c1 Amb6276410 [0,1,0,0,0,0|2,0,1]=4 601 B13R1.6 Cc1cccc(OCCCCBr)c1 Amb2795772 [0,1,0,0,0,0|2,0,0]=3 602 B13R1.6 Cc1cccc(OCCCCO)c1 Amb9370673 [0,1,0,0,0,0|1,0,0]=2 603 B13R1.6 Cc1cccc(SCC#CCO)c1 Amb28455222 [0,1,0,0,0,0|1,0,2]=4 604 B13R1.6 ClCCCC#Cc1cccc(Br)c1 Amb35656657 [0,1,0,0,0,0|1,0,2]=4 605 B13R1.6 Fc1cccc(OCCCCBr)c1 Amb8855418 [0,1,0,0,0,0|2,0,0]=3 606 B13R1.6 Fc1cccc(OCCCCS)c1 Amb17237109 [0,1,0,0,0,0|1,1,0]=3 607 B13R1.6 N#CCCCCc1cccc(Br)c1 Amb33506512 [0,1,0,0,0,0|1,0,1]=3 608 B13R1.6 N#CCCCOc1cccc(Cl)c1 Amb6271675 [0,1,0,0,0,0|2,0,1]=4 609 B13R1.6 N#CCCCOc1cccc(F)c1 Amb6260573 [0,1,0,0,0,0|2,0,1]=4 610 B13R1.6 N#CCCCOc1cccc(N)c1 Amb6242778 [0,1,0,0,0,0|2,0,1]=4 611 B13R1.6 N#CCCOCc1cccc(Cl)c1 Amb33744106 [0,1,0,0,0,0|2,0,1]=4 612 B13R1.6 N#CCCSCc1cccc(F)c1 Amb17502408 [0,1,0,0,0,0|2,0,1]=4 613 B13R1.6 N#CCNCCc1cccc(Cl)c1 Amb17401991 [0,1,0,0,0,0|2,0,1]=4 614 B13R1.6 NCCCC#Cc1cccc(Br)c1 Amb35605479 [0,1,0,0,0,0|1,0,2]=4 615 B13R1.6 NCCCC#Cc1cccc(Cl)c1 Amb27393427 [0,1,0,0,0,0|1,0,2]=4 616 B13R1.6 NCCCCCc1cccc(Br)c1 Amb18071320 [0,1,0,0,0,0|1,0,0]=2 617 B13R1.6 NCCCCOc1cccc(Cl)c1 Amb32662405 [0,1,0,0,0,0|2,0,0]=3 618 B13R1.6 NCCCCOc1cccc(Cl)c1 Amb9392626 [0,1,0,0,0,0|2,0,0]=3 619 B13R1.6 NCCCCOc1cccc(F)c1 Amb32662393 [0,1,0,0,0,0|2,0,0]=3 620 B13R1.6 NCCCCOc1cccc(F)c1 Amb6249822 [0,1,0,0,0,0|2,0,0]=3 621 B13R1.6 NCCCNCc1cccc(Br)c1 Amb31094280 [0,1,0,0,0,0|2,0,0]=3 622 B13R1.6 NCCCNCc1cccc(Cl)c1 Amb10075515 [0,1,0,0,0,0|2,0,0]=3 623 B13R1.6 NCCCNCc1cccc(F)c1 Amb10075555 [0,1,0,0,0,0|2,0,0]=3 624 B13R1.6 NCCCNCc1cccc(N)c1 Amb18622354 [0,1,0,0,0,0|2,0,0]=3 625 B13R1.6 NCCCSCc1cccc(Cl)c1 Amb10608244 [0,1,0,0,0,0|2,0,0]=3 626 B13R1.6 NCCCSCc1cccc(F)c1 Amb17500716 [0,1,0,0,0,0|2,0,0]=3 627 B13R1.6 NCCNCCc1cccc(Cl)c1 Amb17091050 [0,1,0,0,0,0|2,0,0]=3 628 B13R1.6 NCCNCCc1cccc(F)c1 Amb31094271 [0,1,0,0,0,0|2,0,0]=3 629 B13R1.6 NCCOCCc1cccc(Br)c1 Amb17472917 [0,1,0,0,0,0|2,0,0]=3 630 B13R1.6 NC\C=C\CCc1cccc(Br)c1 Amb33433436 [0,1,0,0,0,0|1,0,2]=4 631 B13R1.6 NNCCCOc1cccc(F)c1 Amb17401019 [0,1,0,0,0,0|3,0,0]=4 632 B13R1.6 NOCCCCc1cccc(Br)c1 Amb33006651 [0,1,0,0,0,0|2,0,0]=3 633 B13R1.6 NOCCCOc1cccc(F)c1 Amb17088355 [0,1,0,0,0,0|3,0,0]=4 634 B13R1.6 Nc1cccc(C#CCCCO)c1 Amb27232947 [0,1,0,0,0,0|0,0,2]=3 635 B13R1.6 Nc1cccc(CCNCCO)c1 Amb18050966 [0,1,0,0,0,0|1,0,0]=2 636 B13R1.6 O=C1C=CC=C(C#CCCCO)N1 Amb28242957 [0,1,0,0,0,0|1,0,2]=4 637 B13R1.6 O=C=NCCCc1cccc(Br)c1 Amb31094181 [0,1,0,0,0,0|1,0,2]=4 638 B13R1.6 O=C=NCCCc1cccc(Cl)c1 Amb31094180 [0,1,0,0,0,0|1,0,2]=4 639 B13R1.6 O=C=NCCCc1cccc(F)c1 Amb31094178 [0,1,0,0,0,0|1,0,2]=4 640 B13R1.6 O=CCCCCc1cccc(Br)c1 Amb18549459 [0,1,0,0,0,0|0,0,2]=3 641 B13R1.6 O=CCCCOc1cccc(F)c1 Amb33226688 [0,1,0,0,0,0|1,0,2]=4 642 B13R1.6 OCCCC#Cc1cccc(Br)c1 Amb35626019 [0,1,0,0,0,0|0,0,2]=3 643 B13R1.6 OCCCCCc1cccc(Br)c1 Amb33009490 [0,1,0,0,0,0|0,0,0]=1 644 B13R1.6 OCCCCOc1cccc(Br)c1 Amb9370680 [0,1,0,0,0,0|1,0,0]=2 645 B13R1.6 OCCCCOc1cccc(F)c1 Amb9370689 [0,1,0,0,0,0|1,0,0]=2 646 B13R1.6 OCCCNCc1cccc(Br)c1 Amb1926884 [0,1,0,0,0,0|1,0,0]=2 647 B13R1.6 OCCCNCc1cccc(Cl)c1 Amb20668402 [0,1,0,0,0,0|1,0,0]=2 648 B13R1.6 OCCCNCc1cccc(Cl)c1 Amb4304113 [0,1,0,0,0,0|1,0,0]=2 649 B13R1.6 OCCCNCc1cccc(F)c1 Amb6733568 [0,1,0,0,0,0|1,0,0]=2 650 B13R1.6 OCCCNCc1cccc(O)c1 Amb6733724 [0,1,0,0,0,0|1,0,0]=2 651 B13R1.6 OCCNCCc1cccc(Cl)c1 Amb17402329 [0,1,0,0,0,0|1,0,0]=2 652 B13R1.6 OCCNCCc1cccc(F)c1 Amb9429135 [0,1,0,0,0,0|1,0,0]=2 653 B13R1.6 OC\C=C\CCc1cccc(Br)c1 Amb33433435 [0,1,0,0,0,0|0,0,2]=3 654 B13R1.6 ONCCCOc1cccc(F)c1 Amb17088481 [0,1,0,0,0,0|2,0,0]=3 655 B13R1.6 SCCCCCc1cccc(Br)c1 Amb33006683 [0,1,0,0,0,0|0,1,0]=2 656 B13R1.6 [C-]#[N+]CCCCc1cccc(Br)c1 Amb33433401 [0,1,0,0,0,0|2,0,0]=3 657 B13R1.6 [C-]#[N+]CCCOc1cccc(F)c1 Amb33417448 [0,1,0,0,0,0|3,0,0]=4 658 B13R1.6 [N-]=[N+]=NCCCc1cccc(Br)c1 Amb33384725 [0,1,0,0,0,0|3,0,0]=4 659 B13R1.9 BrCCCCOc1ccc(Br)cc1 Amb8855411 [0,1,0,0,0,0|2,0,0]=3 660 B13R1.9 C#CCCCCc1ccc(Br)cc1 Amb33331840 [0,1,0,0,0,0|1,0,1]=3 661 B13R1.9 C#CCCCCc1ccc(F)cc1 Amb33319346 [0,1,0,0,0,0|1,0,1]=3 662 B13R1.9 C#CCCCNc1ccc(Br)cc1 Amb28341256 [0,1,0,0,0,0|2,0,1]=4 663 B13R1.9 C#CCCCNc1ccc(I)cc1 Amb27620069 [0,1,0,0,0,0|2,0,1]=4 664 B13R1.9 C#CCNCCc1ccc(F)cc1 Amb5262814 [0,1,0,0,0,0|2,0,1]=4 665 B13R1.9 C=CCNCCc1ccc(F)cc1 Amb17317876 [0,1,0,0,0,0|2,0,1]=4 666 B13R1.9 C=CCNCCc1ccc(N)cc1 Amb18549502 [0,1,0,0,0,0|2,0,1]=4 667 B13R1.9 CCCCCCc1ccc(Br)cc1 Amb2722820 [0,1,0,0,0,0|1,0,0]=2 668 B13R1.9 CCCCCCc1ccc(I)cc1 Amb22043588 [0,1,0,0,0,0|1,0,0]=2 669 B13R1.9 CCCCCCc1ccc(N)cc1 Amb2720502 [0,1,0,0,0,0|1,0,0]=2 670 B13R1.9 CCCCCNc1ccc(Br)cc1 Amb6712192 [0,1,0,0,0,0|2,0,0]=3 671 B13R1.9 CCCCCNc1ccc(C)cc1 Amb6714062 [0,1,0,0,0,0|2,0,0]=3 672 B13R1.9 CCCCCNc1ccc(F)cc1 Amb6712298 [0,1,0,0,0,0|2,0,0]=3 673 B13R1.9 CCCCCNc1ccc(N)cn1 Amb9205256 [0,1,0,0,0,0|3,0,0]=4 674 B13R1.9 CCCCCNc1ccc(N)nc1 Amb7767750 [0,1,0,0,0,0|3,0,0]=4 675 B13R1.9 CCCCCOc1ccc(Br)cc1 Amb3941013 [0,1,0,0,0,0|2,0,0]=3 676 B13R1.9 CCCCCOc1ccc(Br)cn1 Amb19300490 [0,1,0,0,0,0|3,0,0]=4 677 B13R1.9 CCCCCOc1ccc(Br)nc1 Amb33972575 [0,1,0,0,0,0|3,0,0]=4 678 B13R1.9 CCCCCOc1ccc(N)cc1 Amb840104 [0,1,0,0,0,0|2,0,0]=3 679 B13R1.9 CCCCCOc1ccc(N)cn1 Amb8902743 [0,1,0,0,0,0|3,0,0]=4 680 B13R1.9 CCCCCOc1ccc(N)nc1 Amb8902737 [0,1,0,0,0,0|3,0,0]=4 681 B13R1.9 CCCCCOc1ccc(O)cc1 Amb1207373 [0,1,0,0,0,0|2,0,0]=3 682 B13R1.9 CCCCCSc1ccc(Br)cc1 Amb30591567 [0,1,0,0,0,0|2,0,0]=3 683 B13R1.9 CCCCCSc1ccc(N)cn1 Amb8932391 [0,1,0,0,0,0|3,0,0]=4 684 B13R1.9 CCCCNCc1ccc(Br)cc1 Amb10782092 [0,1,0,0,0,0|2,0,0]=3 685 B13R1.9 CCCCNCc1ccc(Br)cc1 Amb838828 [0,1,0,0,0,0|2,0,0]=3 686 B13R1.9 CCCCNCc1ccc(C)cc1 Amb19959908 [0,1,0,0,0,0|2,0,0]=3 687 B13R1.9 CCCCNCc1ccc(C)cc1 Amb6690961 [0,1,0,0,0,0|2,0,0]=3 688 B13R1.9 CCCCNCc1ccc(Cl)cc1 Amb1926364 [0,1,0,0,0,0|2,0,0]=3 689 B13R1.9 CCCCNCc1ccc(Cl)cc1 Amb6864518 [0,1,0,0,0,0|2,0,0]=3 690 B13R1.9 CCCCNCc1ccc(F)cc1 Amb1927258 [0,1,0,0,0,0|2,0,0]=3 691 B13R1.9 CCCCNCc1ccc(F)cc1 Amb6864524 [0,1,0,0,0,0|2,0,0]=3 692 B13R1.9 CCCCNCc1ccc(O)cc1 Amb19890813 [0,1,0,0,0,0|2,0,0]=3 693 B13R1.9 CCCCNCc1ccc(O)cc1 Amb6690948 [0,1,0,0,0,0|2,0,0]=3 694 B13R1.9 CCCCSCc1ccc(N)cc1 Amb9479814 [0,1,0,0,0,0|2,0,0]=3 695 B13R1.9 CCCNCCc1ccc(O)cc1 Amb15694901 [0,1,0,0,0,0|2,0,0]=3 696 B13R1.9 CCNCCOc1ccc(Br)cc1 Amb33550032 [0,1,0,0,0,0|3,0,0]=4 697 B13R1.9 CCNCCOc1ccc(Br)cc1 Amb7760969 [0,1,0,0,0,0|3,0,0]=4 698 B13R1.9 CCNCCOc1ccc(C)cc1 Amb7760973 [0,1,0,0,0,0|3,0,0]=4 699 B13R1.9 CCNCCOc1ccc(Cl)cc1 Amb22588117 [0,1,0,0,0,0|3,0,0]=4 700 B13R1.9 CCNCCOc1ccc(Cl)cc1 Amb7760972 [0,1,0,0,0,0|3,0,0]=4 701 B13R1.9 CCNCCOc1ccc(F)cc1 Amb7760976 [0,1,0,0,0,0|3,0,0]=4 702 B13R1.9 CCNCCSc1ccc(C)cc1 Amb10608749 [0,1,0,0,0,0|3,0,0]=4 703 B13R1.9 CCNCCSc1ccc(F)cc1 Amb18332363 [0,1,0,0,0,0|3,0,0]=4 704 B13R1.9 CCNCCSc1ccc(F)cc1 Amb32662343 [0,1,0,0,0,0|3,0,0]=4 705 B13R1.9 CCOCCNc1ccc(Cl)cc1 Amb28555840 [0,1,0,0,0,0|3,0,0]=4 706 B13R1.9 CCOCCOc1ccc(Br)cc1 Amb9239858 [0,1,0,0,0,0|3,0,0]=4 707 B13R1.9 CCOCCOc1ccc(N)cc1 Amb2091063 [0,1,0,0,0,0|3,0,0]=4 708 B13R1.9 CCOCCOc1ccc(N)cc1 Amb6676244 [0,1,0,0,0,0|3,0,0]=4 709 B13R1.9 CCSCCOc1ccc(N)cc1 Amb9027490 [0,1,0,0,0,0|3,0,0]=4 710 B13R1.9 CNCCCCc1ccc(Br)cc1 Amb17106027 [0,1,0,0,0,0|2,0,0]=3 711 B13R1.9 CNCCCCc1ccc(Cl)cc1 Amb17106026 [0,1,0,0,0,0|2,0,0]=3 712 B13R1.9 CNCCCCc1ccc(F)cc1 Amb17106025 [0,1,0,0,0,0|2,0,0]=3 713 B13R1.9 CNCCCOc1ccc(Br)cc1 Amb32651732 [0,1,0,0,0,0|3,0,0]=4 714 B13R1.9 CNCCCOc1ccc(Br)cc1 Amb7798491 [0,1,0,0,0,0|3,0,0]=4 715 B13R1.9 CNCCCOc1ccc(Br)cc1 Amb8597857 [0,1,0,0,0,0|3,0,0]=4 716 B13R1.9 CNCCCOc1ccc(C)cc1 Amb7798164 [0,1,0,0,0,0|3,0,0]=4 717 B13R1.9 CNCCCOc1ccc(Cl)cc1 Amb5562394 [0,1,0,0,0,0|3,0,0]=4 718 B13R1.9 CNCCCOc1ccc(F)cc1 Amb7760952 [0,1,0,0,0,0|3,0,0]=4 719 B13R1.9 CNCCCOc1ccc(F)cc1 Amb7969650 [0,1,0,0,0,0|3,0,0]=4 720 B13R1.9 CNCCCSc1ccc(C)cc1 Amb22588088 [0,1,0,0,0,0|3,0,0]=4 721 B13R1.9 CNCCSCc1ccc(C)cc1 Amb20224036 [0,1,0,0,0,0|3,0,0]=4 722 B13R1.9 CNCCSCc1ccc(Cl)cc1 Amb20224039 [0,1,0,0,0,0|3,0,0]=4 723 B13R1.9 CNCCSCc1ccc(F)cc1 Amb20224044 [0,1,0,0,0,0|3,0,0]=4 724 B13R1.9 COCCCNc1ccc(C)cc1 Amb17233578 [0,1,0,0,0,0|3,0,0]=4 725 B13R1.9 COCCCNc1ccc(N)cc1 Amb8843656 [0,1,0,0,0,0|3,0,0]=4 726 B13R1.9 COCCCOc1ccc(Br)cc1 Amb17257507 [0,1,0,0,0,0|3,0,0]=4 727 B13R1.9 COCCCOc1ccc(N)cc1 Amb8868078 [0,1,0,0,0,0|3,0,0]=4 728 B13R1.9 COCCCSc1ccc(N)cc1 Amb18321735 [0,1,0,0,0,0|3,0,0]=4 729 B13R1.9 COCCNCc1ccc(Br)cc1 Amb1836428 [0,1,0,0,0,0|3,0,0]=4 730 B13R1.9 COCCNCc1ccc(Br)cc1 Amb6865370 [0,1,0,0,0,0|3,0,0]=4 731 B13R1.9 COCCNCc1ccc(C)cc1 Amb1836071 [0,1,0,0,0,0|3,0,0]=4 732 B13R1.9 COCCNCc1ccc(C)cc1 Amb6865362 [0,1,0,0,0,0|3,0,0]=4 733 B13R1.9 COCCNCc1ccc(Cl)cc1 Amb13949021 [0,1,0,0,0,0|3,0,0]=4 734 B13R1.9 COCCNCc1ccc(Cl)cc1 Amb1836723 [0,1,0,0,0,0|3,0,0]=4 735 B13R1.9 COCCNCc1ccc(F)cc1 Amb1835648 [0,1,0,0,0,0|3,0,0]=4 736 B13R1.9 COCCNCc1ccc(F)cc1 Amb22586767 [0,1,0,0,0,0|3,0,0]=4 737 B13R1.9 COCCOCc1ccc(Br)cc1 Amb19373739 [0,1,0,0,0,0|3,0,0]=4 738 B13R1.9 COCCOCc1ccc(N)cc1 Amb6242207 [0,1,0,0,0,0|3,0,0]=4 739 B13R1.9 COCOCCc1ccc(F)cc1 Amb22641545 [0,1,0,0,0,0|3,0,0]=4 740 B13R1.9 CSCCCOc1ccc(N)cc1 Amb17504079 [0,1,0,0,0,0|3,0,0]=4 741 B13R1.9 Cc1ccc(C#CCCCCl)cc1 Amb27955228 [0,1,0,0,0,0|1,0,2]=4 742 B13R1.9 Cc1ccc(CCCCC#N)cc1 Amb18862891 [0,1,0,0,0,0|1,0,1]=3 743 B13R1.9 Cc1ccc(CCCCC=O)cc1 Amb18549429 [0,1,0,0,0,0|0,0,2]=3 744 B13R1.9 Cc1ccc(CCCN=C=O)cc1 Amb17089363 [0,1,0,0,0,0|1,0,2]=4 745 B13R1.9 Cc1ccc(CCNCCN)cc1 Amb31094270 [0,1,0,0,0,0|2,0,0]=3 746 B13R1.9 Cc1ccc(CCNCCO)cc1 Amb17400739 [0,1,0,0,0,0|1,0,0]=2 747 B13R1.9 Cc1ccc(CNCCC#N)cc1 Amb6736372 [0,1,0,0,0,0|2,0,1]=4 748 B13R1.9 Cc1ccc(CNCCCN)cc1 Amb10075517 [0,1,0,0,0,0|2,0,0]=3 749 B13R1.9 Cc1ccc(CNCCCO)cc1 Amb13949025 [0,1,0,0,0,0|1,0,0]=2 750 B13R1.9 Cc1ccc(CNCCCO)cc1 Amb838284 [0,1,0,0,0,0|1,0,0]=2 751 B13R1.9 Cc1ccc(CSCCC#N)cc1 Amb17502365 [0,1,0,0,0,0|2,0,1]=4 752 B13R1.9 Cc1ccc(CSCCCN)cc1 Amb17500678 [0,1,0,0,0,0|2,0,0]=3 753 B13R1.9 Cc1ccc(NCCCCO)cc1 Amb6334836 [0,1,0,0,0,0|1,0,0]=2 754 B13R1.9 Cc1ccc(OCCCC#N)cc1 Amb6263246 [0,1,0,0,0,0|2,0,1]=4 755 B13R1.9 Cc1ccc(OCCCCCl)cc1 Amb3940583 [0,1,0,0,0,0|2,0,0]=3 756 B13R1.9 Cc1ccc(OCCCCN)cc1 Amb6244115 [0,1,0,0,0,0|2,0,0]=3 757 B13R1.9 Cc1ccc(OCCCCO)cc1 Amb9370516 [0,1,0,0,0,0|1,0,0]=2 758 B13R1.9 Cc1ccc(\C=C\CCCN)cc1 Amb18065586 [0,1,0,0,0,0|1,0,2]=4 759 B13R1.9 ClCCCC#Cc1ccc(Br)cc1 Amb35656654 [0,1,0,0,0,0|1,0,2]=4 760 B13R1.9 Clc1ccc(OCCCCBr)cc1 Amb2589646 [0,1,0,0,0,0|2,0,0]=3 761 B13R1.9 FCCCCSc1ccc(Br)cc1 Amb24064684 [0,1,0,0,0,0|2,0,0]=3 762 B13R1.9 Fc1ccc(CCCCCBr)cc1 Amb33006302 [0,1,0,0,0,0|1,0,0]=2 763 B13R1.9 Fc1ccc(CCCCCS)cc1 Amb33319207 [0,1,0,0,0,0|0,1,0]=2 764 B13R1.9 Fc1ccc(OCCCCBr)cc1 Amb8517232 [0,1,0,0,0,0|2,0,0]=3 765 B13R1.9 Fc1ccc(\C=C\CCCBr)cc1 Amb33335993 [0,1,0,0,0,0|1,0,2]=4 766 B13R1.9 Fc1ccc(\C=C\CCCS)cc1 Amb33201175 [0,1,0,0,0,0|0,1,2]=4 767 B13R1.9 N#CCCCCc1ccc(Br)cc1 Amb18227873 [0,1,0,0,0,0|1,0,1]=3 768 B13R1.9 N#CCCCCc1ccc(Cl)cc1 Amb18224874 [0,1,0,0,0,0|1,0,1]=3 769 B13R1.9 N#CCCCCc1ccc(F)cc1 Amb18224564 [0,1,0,0,0,0|1,0,1]=3 770 B13R1.9 N#CCCCNc1ccc(Br)cc1 Amb6712194 [0,1,0,0,0,0|2,0,1]=4 771 B13R1.9 N#CCCCOc1ccc(Cl)cc1 Amb446165 [0,1,0,0,0,0|2,0,1]=4 772 B13R1.9 N#CCCCOc1ccc(F)cc1 Amb446853 [0,1,0,0,0,0|2,0,1]=4 773 B13R1.9 N#CCCNCc1ccc(Cl)cc1 Amb6365935 [0,1,0,0,0,0|2,0,1]=4 774 B13R1.9 N#CCCNCc1ccc(F)cc1 Amb6736351 [0,1,0,0,0,0|2,0,1]=4 775 B13R1.9 N#CCCSCc1ccc(Cl)cc1 Amb2782037 [0,1,0,0,0,0|2,0,1]=4 776 B13R1.9 N#CCNCCc1ccc(Cl)cc1 Amb17401990 [0,1,0,0,0,0|2,0,1]=4 777 B13R1.9 N#CCNCCc1ccc(F)cc1 Amb6708656 [0,1,0,0,0,0|2,0,1]=4 778 B13R1.9 NCCCC#Cc1ccc(Br)cc1 Amb35605465 [0,1,0,0,0,0|1,0,2]=4 779 B13R1.9 NCCCCCc1ccc(Br)cc1 Amb17196204 [0,1,0,0,0,0|1,0,0]=2 780 B13R1.9 NCCCCCc1ccc(Br)cc1 Amb33484197 [0,1,0,0,0,0|1,0,0]=2 781 B13R1.9 NCCCCCc1ccc(F)cc1 Amb33547658 [0,1,0,0,0,0|1,0,0]=2 782 B13R1.9 NCCCCNc1ccc(Br)cn1 Amb8631388 [0,1,0,0,0,0|3,0,0]=4 783 B13R1.9 NCCCCOc1ccc(Br)cc1 Amb9392547 [0,1,0,0,0,0|2,0,0]=3 784 B13R1.9 NCCCCOc1ccc(Cl)cc1 Amb1220933 [0,1,0,0,0,0|2,0,0]=3 785 B13R1.9 NCCCCOc1ccc(Cl)cc1 Amb2371366 [0,1,0,0,0,0|2,0,0]=3 786 B13R1.9 NCCCCOc1ccc(F)cc1 Amb1156145 [0,1,0,0,0,0|2,0,0]=3 787 B13R1.9 NCCCCOc1ccc(F)cc1 Amb5559142 [0,1,0,0,0,0|2,0,0]=3 788 B13R1.9 NCCCCSc1ccc(F)cc1 Amb32410692 [0,1,0,0,0,0|2,0,0]=3 789 B13R1.9 NCCCCSc1ccc(F)cc1 Amb9391872 [0,1,0,0,0,0|2,0,0]=3 790 B13R1.9 NCCCNCc1ccc(Br)cc1 Amb31094281 [0,1,0,0,0,0|2,0,0]=3 791 B13R1.9 NCCCNCc1ccc(Cl)cc1 Amb17772968 [0,1,0,0,0,0|2,0,0]=3 792 B13R1.9 NCCCNCc1ccc(F)cc1 Amb10075514 [0,1,0,0,0,0|2,0,0]=3 793 B13R1.9 NCCCSCc1ccc(Br)cc1 Amb17500680 [0,1,0,0,0,0|2,0,0]=3 794 B13R1.9 NCCCSCc1ccc(Cl)cc1 Amb10608368 [0,1,0,0,0,0|2,0,0]=3 795 B13R1.9 NCCCSCc1ccc(F)cc1 Amb10608254 [0,1,0,0,0,0|2,0,0]=3 796 B13R1.9 NCCC\C=C\c1ccc(Br)cc1 Amb18070374 [0,1,0,0,0,0|1,0,2]=4 797 B13R1.9 NCCC\C=C\c1ccc(Cl)cc1 Amb18565794 [0,1,0,0,0,0|1,0,2]=4 798 B13R1.9 NCCC\C=C\c1ccc(F)cc1 Amb18564097 [0,1,0,0,0,0|1,0,2]=4 799 B13R1.9 NCCNCCc1ccc(Cl)cc1 Amb17091039 [0,1,0,0,0,0|2,0,0]=3 800 B13R1.9 NCCNCCc1ccc(F)cc1 Amb18105047 [0,1,0,0,0,0|2,0,0]=3 801 B13R1.9 NCCOCCc1ccc(Br)cc1 Amb17472918 [0,1,0,0,0,0|2,0,0]=3 802 B13R1.9 NCCOCCc1ccc(F)cc1 Amb17470656 [0,1,0,0,0,0|2,0,0]=3 803 B13R1.9 NC\C=C\CCc1ccc(Br)cc1 Amb33482149 [0,1,0,0,0,0|1,0,2]=4 804 B13R1.9 NC\C=C\CCc1ccc(F)cc1 Amb33319640 [0,1,0,0,0,0|1,0,2]=4 805 B13R1.9 NOCCCCc1ccc(Br)cc1 Amb18071619 [0,1,0,0,0,0|2,0,0]=3 806 B13R1.9 NOCCCCc1ccc(F)cc1 Amb18066113 [0,1,0,0,0,0|2,0,0]=3 807 B13R1.9 Nc1ccc(CCNCCO)cc1 Amb15692581 [0,1,0,0,0,0|1,0,0]=2 808 B13R1.9 Nc1ccc(CCNCCO)cc1 Amb18050942 [0,1,0,0,0,0|1,0,0]=2 809 B13R1.9 Nc1ccc(CSCCCO)cc1 Amb17498759 [0,1,0,0,0,0|1,0,0]=2 810 B13R1.9 Nc1ccc(OCCCCBr)cc1 Amb32696479 [0,1,0,0,0,0|2,0,0]=3 811 B13R1.9 Nc1ccc(OCCCCO)cc1 Amb18805234 [0,1,0,0,0,0|1,0,0]=2 812 B13R1.9 O=C=NCCCc1ccc(Br)cc1 Amb17089372 [0,1,0,0,0,0|1,0,2]=4 813 B13R1.9 O=C=NCCCc1ccc(Cl)cc1 Amb17089371 [0,1,0,0,0,0|1,0,2]=4 814 B13R1.9 O=C=NCCCc1ccc(F)cc1 Amb17089370 [0,1,0,0,0,0|1,0,2]=4 815 B13R1.9 O=CCCCCc1ccc(Br)cc1 Amb18050046 [0,1,0,0,0,0|0,0,2]=3 816 B13R1.9 O=CCCCCc1ccc(Cl)cc1 Amb18050047 [0,1,0,0,0,0|0,0,2]=3 817 B13R1.9 O=CCCCCc1ccc(F)cc1 Amb18549430 [0,1,0,0,0,0|0,0,2]=3 818 B13R1.9 O=CCCSCc1ccc(Cl)cc1 Amb32682690 [0,1,0,0,0,0|1,0,2]=4 819 B13R1.9 OCCCC#Cc1ccc(Br)cc1 Amb35626017 [0,1,0,0,0,0|0,0,2]=3 820 B13R1.9 OCCCC#Cc1ccc(Br)cn1 Amb35644578 [0,1,0,0,0,0|1,0,2]=4 821 B13R1.9 OCCCCCc1ccc(Br)cc1 Amb17196244 [0,1,0,0,0,0|0,0,0]=1 822 B13R1.9 OCCCCCc1ccc(F)cc1 Amb17194553 [0,1,0,0,0,0|0,0,0]=1 823 B13R1.9 OCCCCNc1ccc(Br)cn1 Amb32653328 [0,1,0,0,0,0|2,0,0]=3 824 B13R1.9 OCCCCNc1ccc(F)cc1 Amb2189155 [0,1,0,0,0,0|1,0,0]=2 825 B13R1.9 OCCCCNc1ccc(F)cc1 Amb6336177 [0,1,0,0,0,0|1,0,0]=2 826 B13R1.9 OCCCCOc1ccc(Br)cc1 Amb9370655 [0,1,0,0,0,0|1,0,0]=2 827 B13R1.9 OCCCCOc1ccc(Cl)cc1 Amb9370657 [0,1,0,0,0,0|1,0,0]=2 828 B13R1.9 OCCCCOc1ccc(F)cc1 Amb9370677 [0,1,0,0,0,0|1,0,0]=2 829 B13R1.9 OCCCCOc1ccc(O)cc1 Amb18805499 [0,1,0,0,0,0|1,0,0]=2 830 B13R1.9 OCCCCSc1ccc(Cl)cc1 Amb9370801 [0,1,0,0,0,0|1,0,0]=2 831 B13R1.9 OCCCNCc1ccc(Br)cc1 Amb1926881 [0,1,0,0,0,0|1,0,0]=2 832 B13R1.9 OCCCNCc1ccc(Br)cc1 Amb6772393 [0,1,0,0,0,0|1,0,0]=2 833 B13R1.9 OCCCNCc1ccc(Cl)cc1 Amb13949010 [0,1,0,0,0,0|1,0,0]=2 834 B13R1.9 OCCCNCc1ccc(Cl)cc1 Amb837942 [0,1,0,0,0,0|1,0,0]=2 835 B13R1.9 OCCCNCc1ccc(Cl)nc1 Amb21988430 [0,1,0,0,0,0|2,0,0]=3 836 B13R1.9 OCCCNCc1ccc(F)cc1 Amb13949008 [0,1,0,0,0,0|1,0,0]=2 837 B13R1.9 OCCCNCc1ccc(F)cc1 Amb838011 [0,1,0,0,0,0|1,0,0]=2 838 B13R1.9 OCCC\C=C\c1ccc(F)cc1 Amb33474553 [0,1,0,0,0,0|0,0,2]=3 839 B13R1.9 OCCNCCc1ccc(Cl)cc1 Amb17402330 [0,1,0,0,0,0|1,0,0]=2 840 B13R1.9 OCCNCCc1ccc(F)cc1 Amb6708695 [0,1,0,0,0,0|1,0,0]=2 841 B13R1.9 OC\C=C\CCc1ccc(Br)cc1 Amb33332217 [0,1,0,0,0,0|0,0,2]=3 842 B13R1.9 OC\C=C\CCc1ccc(F)cc1 Amb33319641 [0,1,0,0,0,0|0,0,2]=3 843 B13R1.9 Oc1ccc(OCCCCBr)cc1 Amb18665092 [0,1,0,0,0,0|2,0,0]=3 844 B13R1.9 SCCCCCc1ccc(Br)cc1 Amb33006009 [0,1,0,0,0,0|0,1,0]=2 845 B13R1.9 [C-]#[N+]CCCCc1ccc(Br)cc1 Amb33332189 [0,1,0,0,0,0|2,0,0]=3 846 B13R1.9 [C-]#[N+]CCCCc1ccc(F)cc1 Amb33319987 [0,1,0,0,0,0|2,0,0]=3 847 B13R1.9 [N-]=[N+]=NCCCc1ccc(Br)cc1 Amb33332209 [0,1,0,0,0,0|3,0,0]=4 848 B13R1.9 [N-]=[N+]=NCCCc1ccc(F)cc1 Amb33361050 [0,1,0,0,0,0|3,0,0]=4 849 B13R1.24 C#CCCCC(O)c1ccccn1 Amb33743433 [0,1,0,0,0,0|2,0,1]=4 850 B13R1.24 C#CCNCC(O)c1ccccc1 Amb5262817 [0,1,0,0,0,0|2,0,1]=4 851 B13R1.24 C=CCCCC(=O)c1ccccc1 Amb31307896 [0,1,0,0,0,0|1,0,2]=4 852 B13R1.24 C=CCCCC(N)c1ccccc1 Amb18127534 [0,1,0,0,0,0|1,0,1]=3 853 B13R1.24 C=CCCN[C@H](C)c1ccccc1 Amb33624938 [0,1,0,0,0,0|2,0,1]=4 854 B13R1.24 C=CCNCC(C)c1ccccc1 Amb2119615 [0,1,0,0,0,0|2,0,1]=4 855 B13R1.24 C=CCNCC(C)c1ccccc1 Amb6719269 [0,1,0,0,0,0|2,0,1]=4 856 B13R1.24 CC#CCCC(N)c1ccccc1 Amb27617693 [0,1,0,0,0,0|1,0,2]=4 857 B13R1.24 CC(CCN=C=O)c1ccccc1 Amb32953286 [0,1,0,0,0,0|1,0,2]=4 858 B13R1.24 CC(CCN=[N+]=[N-])c1ccccc1 Amb32954525 [0,1,0,0,0,0|3,0,0]=4 859 B13R1.24 CC(CNCCO)c1ccccc1 Amb1851160 [0,1,0,0,0,0|1,0,0]=2 860 B13R1.24 CC(NCCC#N)c1ccccc1 Amb6736425 [0,1,0,0,0,0|2,0,1]=4 861 B13R1.24 CC(NCCCN)c1ccccc1 Amb17315288 [0,1,0,0,0,0|2,0,0]=3 862 B13R1.24 CC(NCCCO)c1ccccc1 Amb4422879 [0,1,0,0,0,0|1,0,0]=2 863 B13R1.24 CC(NCCCO)c1ccccn1 Amb1071370 [0,1,0,0,0,0|2,0,0]=3 864 B13R1.24 CC(NCCCO)c1cccnc1 Amb1070102 [0,1,0,0,0,0|2,0,0]=3 865 B13R1.24 CC(NCCCO)c1ccncc1 Amb6356073 [0,1,0,0,0,0|2,0,0]=3 866 B13R1.24 CC(OCCC#N)c1ccccc1 Amb6259524 [0,1,0,0,0,0|2,0,1]=4 867 B13R1.24 CC(OCCCN)c1ccccc1 Amb9729503 [0,1,0,0,0,0|2,0,0]=3 868 B13R1.24 CC(SCCCN)c1ccccc1 Amb17500696 [0,1,0,0,0,0|2,0,0]=3 869 B13R1.24 CC([NH2+]CCCO)c1cccnc1 Amb4262407 [0,1,0,0,0,0|2,0,0]=3 870 B13R1.24 CCCC#CC(O)c1ccccc1 Amb27826395 [0,1,0,0,0,0|1,0,2]=4 871 B13R1.24 CCCC#C[C@@H](O)c1ccccc1 Amb27981923 [0,1,0,0,0,0|1,0,2]=4 872 B13R1.24 CCCCCC(=O)c1ccccc1 Amb6608934 [0,1,0,0,0,0|1,0,1]=3 873 B13R1.24 CCCCCC(=O)c1ccccn1 Amb6301473 [0,1,0,0,0,0|2,0,1]=4 874 B13R1.24 CCCCCC(=O)c1cccnc1 Amb18184182 [0,1,0,0,0,0|2,0,1]=4 875 B13R1.24 CCCCCC(=O)c1ccncc1 Amb18804653 [0,1,0,0,0,0|2,0,1]=4 876 B13R1.24 CCCCCC(N)c1ccccc1 Amb7764725 [0,1,0,0,0,0|1,0,0]=2 877 B13R1.24 CCCCCC(N)c1ccccn1 Amb18804828 [0,1,0,0,0,0|2,0,0]=3 878 B13R1.24 CCCCCC(N)c1cccnc1 Amb18804829 [0,1,0,0,0,0|2,0,0]=3 879 B13R1.24 CCCCCC(N)c1cccnc1 Amb35745644 [0,1,0,0,0,0|2,0,0]=3 880 B13R1.24 CCCCCC(N)c1ccncc1 Amb18184452 [0,1,0,0,0,0|2,0,0]=3 881 B13R1.24 CCCCCC(N)c1ccncc1 Amb35745524 [0,1,0,0,0,0|2,0,0]=3 882 B13R1.24 CCCCCC(O)c1ccccc1 Amb9619574 [0,1,0,0,0,0|1,0,0]=2 883 B13R1.24 CCCCCC(S)c1ccccc1 Amb32788166 [0,1,0,0,0,0|1,0,0]=2 884 B13R1.24 CCCCNC(C)c1ccccc1 Amb33548283 [0,1,0,0,0,0|2,0,0]=3 885 B13R1.24 CCCCNC(C)c1ccccc1 Amb4313706 [0,1,0,0,0,0|2,0,0]=3 886 B13R1.24 CCCCNC(C)c1ccccn1 Amb6691018 [0,1,0,0,0,0|3,0,0]=4 887 B13R1.24 CCCCNC(C)c1cccnc1 Amb6691020 [0,1,0,0,0,0|3,0,0]=4 888 B13R1.24 CCCCNC(C)c1ccncc1 Amb6691019 [0,1,0,0,0,0|3,0,0]=4 889 B13R1.24 CCCCOC(=O)c1ccccc1 Amb6357093 [0,1,0,0,0,0|2,0,1]=4 890 B13R1.24 CCCNCC(C)c1ccccc1 Amb2119487 [0,1,0,0,0,0|2,0,0]=3 891 B13R1.24 CCCNCC(C)c1ccccc1 Amb6719090 [0,1,0,0,0,0|2,0,0]=3 892 B13R1.24 CCCSCC(=O)c1ccccc1 Amb9668634 [0,1,0,0,0,0|2,0,1]=4 893 B13R1.24 CCSCCC(=O)c1ccccc1 Amb32683148 [0,1,0,0,0,0|2,0,1]=4 894 B13R1.24 CN(CCCCN)c1ccccc1 Amb5782374 [0,1,0,0,0,0|2,0,0]=3 895 B13R1.24 CN(CCCCO)c1ccccc1 Amb9370155 [0,1,0,0,0,0|1,0,0]=2 896 B13R1.24 COCCNC(C)c1ccccc1 Amb6685616 [0,1,0,0,0,0|3,0,0]=4 897 B13R1.24 CSCCCC(=O)c1ccccc1 Amb18321257 [0,1,0,0,0,0|2,0,1]=4 898 B13R1.24 C\C(=C/CCCN)c1ccccc1 Amb18065585 [0,1,0,0,0,0|1,0,2]=4 899 B13R1.24 N#CCCCC(=O)c1ccccc1 Amb4376113 [0,1,0,0,0,0|1,0,2]=4 900 B13R1.24 N#CCCCC(N)c1ccccc1 Amb26304186 [0,1,0,0,0,0|1,0,1]=3 901 B13R1.24 N#CCCCC(N)c1ccccc1 Amb32661175 [0,1,0,0,0,0|1,0,1]=3 902 B13R1.24 NCCCCC(N)c1ncccn1 Amb32716219 [0,1,0,0,0,0|3,0,0]=4 903 B13R1.24 NCCCNC(=O)c1ccccc1 Amb33506255 [0,1,0,0,0,0|2,0,1]=4 904 B13R1.24 NCCCNC(=O)c1ccccc1 Amb6281166 [0,1,0,0,0,0|2,0,1]=4 905 B13R1.24 NCCOCC(=O)c1ccccc1 Amb18111539 [0,1,0,0,0,0|2,0,1]=4 906 B13R1.24 O=C(C#CCCO)c1ccccc1 Amb27954135 [0,1,0,0,0,0|0,0,3]=4 907 B13R1.24 O=C(CCCCCl)c1ccccc1 Amb6301784 [0,1,0,0,0,0|1,0,1]=3 908 B13R1.24 O=C(CSCCO)c1ccccc1 Amb4165982 [0,1,0,0,0,0|1,0,1]=3 909 B13R1.24 O=C(NCCCCl)c1ccccc1 Amb3887000 [0,1,0,0,0,0|2,0,1]=4 910 B13R1.24 O=C(NCCCO)c1ccccc1 Amb9243498 [0,1,0,0,0,0|1,0,1]=3 911 B13R1.24 O=C(NCCCO)c1cccnc1 Amb4285241 [0,1,0,0,0,0|2,0,1]=4 912 B13R1.24 O=C(NCCCO)c1ccncc1 Amb3467240 [0,1,0,0,0,0|2,0,1]=4 913 B13R1.24 O=C(OCCCCl)c1ccccc1 Amb24099970 [0,1,0,0,0,0|2,0,1]=4 914 B13R1.24 OC(CC#CCCl)c1ccccc1 Amb27179148 [0,1,0,0,0,0|1,0,2]=4 915 B13R1.24 OCCC#CC(O)c1ccccc1 Amb27826420 [0,1,0,0,0,0|0,0,2]=3 916 B13R1.24 OCCNCC(O)c1ccccc1 Amb9242094 [0,1,0,0,0,0|1,0,0]=2 917 B13R1.24 OCCNCC(O)c1cccnc1 Amb30623419 [0,1,0,0,0,0|2,0,0]=3 918 B13R1.28 BrCCCCCCc1ccccc1 Amb2685411 [0,1,0,0,0,0|1,0,0]=2 919 B13R1.28 BrCCCCCOc1ccccc1 Amb22730694 [0,1,0,0,0,0|1,0,0]=2 920 B13R1.28 BrCCCCOCc1ccccc1 Amb4006164 [0,1,0,0,0,0|1,0,0]=2 921 B13R1.28 BrCCOCCOc1ccccc1 Amb6256002 [0,1,0,0,0,0|2,0,0]=3 922 B13R1.28 BrCCOC\C=C\c1ccccc1 Amb24113552 [0,1,0,0,0,0|1,0,2]=4 923 B13R1.28 Br[Zn]CCCCOc1ccccc1 Amb22000475 [0,1,0,0,0,0|2,0,0]=3 924 B13R1.28 C#CCCCC#Cc1ccccc1 Amb26049580 [0,1,0,0,0,0|1,0,2]=4 925 B13R1.28 C#CCCCNCc1ccccc1 Amb27230415 [0,1,0,0,0,0|1,0,1]=3 926 B13R1.28 C#CCCCOCc1ccccc1 Amb27228806 [0,1,0,0,0,0|1,0,1]=3 927 B13R1.28 C=CCCCC#Cc1ccccc1 Amb35730323 [0,1,0,0,0,0|1,0,2]=4 928 B13R1.28 C=CCCCOCc1ccccc1 Amb25286747 [0,1,0,0,0,0|1,0,1]=3 929 B13R1.28 C=CCCNCCc1ccccc1 Amb19737352 [0,1,0,0,0,0|1,0,1]=3 930 B13R1.28 C=CCCNOCc1ccccc1 Amb26335912 [0,1,0,0,0,0|2,0,1]=4 931 B13R1.28 C=CCNCCCc1ccccc1 Amb20673619 [0,1,0,0,0,0|1,0,1]=3 932 B13R1.28 C=CCNCCCc1ccccc1 Amb6706500 [0,1,0,0,0,0|1,0,1]=3 933 B13R1.28 C=CCNCCSc1ccccc1 Amb10608755 [0,1,0,0,0,0|2,0,1]=4 934 B13R1.28 CC#CCCNCc1ccccc1 Amb27955822 [0,1,0,0,0,0|1,0,2]=4 935 B13R1.28 CCCCCC#Cc1ccccc1 Amb2721606 [0,1,0,0,0,0|1,0,1]=3 936 B13R1.28 CCCCCC#Cc1cccnc1 Amb27830198 [0,1,0,0,0,0|2,0,1]=4 937 B13R1.28 CCCCCCCc1ccccc1 Amb8513456 [0,1,0,0,0,0|1,0,0]=2 938 B13R1.28 CCCCCCCc1ccccn1 Amb22235249 [0,1,0,0,0,0|2,0,0]=3 939 B13R1.28 CCCCCCCc1cccnc1 Amb22235253 [0,1,0,0,0,0|2,0,0]=3 940 B13R1.28 CCCCCCCc1ccncc1 Amb22235258 [0,1,0,0,0,0|2,0,0]=3 941 B13R1.28 CCCCCCNc1ccccc1 Amb597405 [0,1,0,0,0,0|1,0,0]=2 942 B13R1.28 CCCCCCSc1ccccn1 Amb24101307 [0,1,0,0,0,0|2,0,0]=3 943 B13R1.28 CCCCCCSc1cccnc1 Amb24085373 [0,1,0,0,0,0|2,0,0]=3 944 B13R1.28 CCCCCCSc1ccncc1 Amb24102986 [0,1,0,0,0,0|2,0,0]=3 945 B13R1.28 CCCCCNCc1ccccc1 Amb838091 [0,1,0,0,0,0|1,0,0]=2 946 B13R1.28 CCCCCNCc1ccccn1 Amb5262448 [0,1,0,0,0,0|2,0,0]=3 947 B13R1.28 CCCCCNCc1cccnc1 Amb6688087 [0,1,0,0,0,0|2,0,0]=3 948 B13R1.28 CCCCCNCc1ccncc1 Amb838356 [0,1,0,0,0,0|2,0,0]=3 949 B13R1.28 CCCCCNCc1cncnc1 Amb18804943 [0,1,0,0,0,0|3,0,0]=4 950 B13R1.28 CCCCC\C=C\c1cccnc1 Amb2613049 [0,1,0,0,0,0|2,0,1]=4 951 B13R1.28 CCCCNCCc1ccccc1 Amb2172322 [0,1,0,0,0,0|1,0,0]=2 952 B13R1.28 CCCCNCCc1ccccc1 Amb875620 [0,1,0,0,0,0|1,0,0]=2 953 B13R1.28 CCCCNOCc1ccccc1 Amb27433781 [0,1,0,0,0,0|2,0,0]=3 954 B13R1.28 CCCCOCCc1ccccc1 Amb24065444 [0,1,0,0,0,0|1,0,0]=2 955 B13R1.28 CCCNCC#Cc1ccccc1 Amb9172260 [0,1,0,0,0,0|1,0,2]=4 956 B13R1.28 CCCNCCCc1ccccc1 Amb20673529 [0,1,0,0,0,0|1,0,0]=2 957 B13R1.28 CCCNCCCc1ccccc1 Amb6714447 [0,1,0,0,0,0|1,0,0]=2 958 B13R1.28 CCCNCCSc1ccccn1 Amb18318129 [0,1,0,0,0,0|3,0,0]=4 959 B13R1.28 CCCNC\C=C\c1ccccc1 Amb20673523 [0,1,0,0,0,0|1,0,2]=4 960 B13R1.28 CCCNC\C=C\c1ccccc1 Amb838094 [0,1,0,0,0,0|1,0,2]=4 961 B13R1.28 CCCOCCCc1ccccc1 Amb24063573 [0,1,0,0,0,0|1,0,0]=2 962 B13R1.28 CCCSCCNc1ccccc1 Amb17307515 [0,1,0,0,0,0|2,0,0]=3 963 B13R1.28 CCNCCCCc1ccccc1 Amb8853688 [0,1,0,0,0,0|1,0,0]=2 964 B13R1.28 CCNCCCOc1ccccc1 Amb7760967 [0,1,0,0,0,0|2,0,0]=3 965 B13R1.28 CCNCCNCc1ccccn1 Amb18184616 [0,1,0,0,0,0|3,0,0]=4 966 B13R1.28 CCNCCNCc1cccnc1 Amb18184617 [0,1,0,0,0,0|3,0,0]=4 967 B13R1.28 CCNCCNCc1ccncc1 Amb20414355 [0,1,0,0,0,0|3,0,0]=4 968 B13R1.28 CCNCC\C=C/c1ccccc1 Amb17142949 [0,1,0,0,0,0|1,0,2]=4 969 B13R1.28 CCOCCCNc1ccncc1 Amb6638685 [0,1,0,0,0,0|3,0,0]=4 970 B13R1.28 CCOCCNCc1ccccc1 Amb9241003 [0,1,0,0,0,0|2,0,0]=3 971 B13R1.28 CCOCCNCc1ccccn1 Amb9241011 [0,1,0,0,0,0|3,0,0]=4 972 B13R1.28 CCOCCNCc1cccnc1 Amb9241013 [0,1,0,0,0,0|3,0,0]=4 973 B13R1.28 CCOCCNCc1ccncc1 Amb9241012 [0,1,0,0,0,0|3,0,0]=4 974 B13R1.28 CCSCCCNc1ccccn1 Amb32670759 [0,1,0,0,0,0|3,0,0]=4 975 B13R1.28 CNCCCCOc1ccccc1 Amb17309029 [0,1,0,0,0,0|2,0,0]=3 976 B13R1.28 CNCCCNCc1ccccn1 Amb5262459 [0,1,0,0,0,0|3,0,0]=4 977 B13R1.28 CNCCCNCc1ccncc1 Amb22531665 [0,1,0,0,0,0|3,0,0]=4 978 B13R1.28 CNCCCOCc1ccccc1 Amb18186412 [0,1,0,0,0,0|2,0,0]=3 979 B13R1.28 COCCCNCc1ccccc1 Amb2172436 [0,1,0,0,0,0|1,0,0]=2 980 B13R1.28 COCCCNCc1ccccc1 Amb838852 [0,1,0,0,0,0|1,0,0]=2 981 B13R1.28 COCCCNCc1ccccn1 Amb534487 [0,1,0,0,0,0|2,0,0]=3 982 B13R1.28 COCCCNCc1cccnc1 Amb875736 [0,1,0,0,0,0|2,0,0]=3 983 B13R1.28 COCCCNCc1ccncc1 Amb875727 [0,1,0,0,0,0|2,0,0]=3 984 B13R1.28 COCCCNCc1cncnc1 Amb18805302 [0,1,0,0,0,0|3,0,0]=4 985 B13R1.28 COCCC\N=C\c1ccccc1 Amb33280239 [0,1,0,0,0,0|1,0,1]=3 986 B13R1.28 COCCNCCc1ccccc1 Amb6685596 [0,1,0,0,0,0|1,0,0]=2 987 B13R1.28 COCCNCCc1ccncc1 Amb16191750 [0,1,0,0,0,0|2,0,0]=3 988 B13R1.28 CONCCOCc1ccccc1 Amb27655349 [0,1,0,0,0,0|2,0,0]=3 989 B13R1.28 CO\N=C\CNCc1ccccc1 Amb27954555 [0,1,0,0,0,0|2,0,1]=4 990 B13R1.28 CSCCCNCc1ccccc1 Amb6719949 [0,1,0,0,0,0|1,1,0]=3 991 B13R1.28 CSCCCNCc1ccccn1 Amb6721496 [0,1,0,0,0,0|2,1,0]=4 992 B13R1.28 CSCCCNCc1cccnc1 Amb6729954 [0,1,0,0,0,0|2,1,0]=4 993 B13R1.28 CSCCCNCc1ccncc1 Amb6729737 [0,1,0,0,0,0|2,1,0]=4 994 B13R1.28 ClCCCCCCc1cncnc1 Amb24070772 [0,1,0,0,0,0|3,0,0]=4 995 B13R1.28 ClCCCCOCc1ccccc1 Amb19084569 [0,1,0,0,0,0|1,0,0]=2 996 B13R1.28 ClCCCNCCc1ccccc1 Amb29565621 [0,1,0,0,0,0|1,0,0]=2 997 B13R1.28 ClCCCOCCc1ccccc1 Amb9208564 [0,1,0,0,0,0|1,0,0]=2 998 B13R1.28 ClCOCCOCc1ccccc1 Amb27205014 [0,1,0,0,0,0|2,0,0]=3 999 B13R1.28 ClC\C=C\CNCc1ccccc1 Amb28044386 [0,1,0,0,0,0|1,0,2]=4 1000 B13R1.28 FCCCCNCc1ccccc1 Amb27863240 [0,1,0,0,0,0|1,0,0]=2 1001 B13R1.28 FCCNCC#Cc1ccccc1 Amb27168777 [0,1,0,0,0,0|1,0,2]=4 1002 B13R1.28 ICCCCOCc1ccccc1 Amb26863429 [0,1,0,0,0,0|1,0,0]=2 1003 B13R1.28 N#CCCCCOc1ccccc1 Amb2754941 [0,1,0,0,0,0|1,0,1]=3 1004 B13R1.28 N#CCCCNCc1ccccc1 Amb33069054 [0,1,0,0,0,0|1,0,1]=3 1005 B13R1.28 N#CCCCNCc1ccccc1 Amb6707686 [0,1,0,0,0,0|1,0,1]=3 1006 B13R1.28 N#CCCCSCc1ccccc1 Amb6677694 [0,1,0,0,0,0|1,0,1]=3 1007 B13R1.28 N#CCCNCCc1ccccc1 Amb2693162 [0,1,0,0,0,0|1,0,1]=3 1008 B13R1.28 N#CCCNOCc1ccccc1 Amb27165442 [0,1,0,0,0,0|2,0,1]=4 1009 B13R1.28 N#CCCOCCc1ccccc1 Amb9208575 [0,1,0,0,0,0|1,0,1]=3 1010 B13R1.28 N#CCCOCCc1ccccn1 Amb9208814 [0,1,0,0,0,0|2,0,1]=4 1011 B13R1.28 N#CSCCNCc1ccccc1 Amb23575679 [0,1,0,0,0,0|2,0,1]=4 1012 B13R1.28 NCC#CCCCc1ccccc1 Amb27415576 [0,1,0,0,0,0|1,0,1]=3 1013 B13R1.28 NCC#CCNCc1ccccc1 Amb27412390 [0,1,0,0,0,0|1,0,2]=4 1014 B13R1.28 NCCCC#CCc1ccccn1 Amb27239557 [0,1,0,0,0,0|2,0,1]=4 1015 B13R1.28 NCCCCC#Cc1ccccc1 Amb27232890 [0,1,0,0,0,0|1,0,1]=3 1016 B13R1.28 NCCCCC#Cc1ccncc1 Amb27632878 [0,1,0,0,0,0|2,0,1]=4 1017 B13R1.28 NCCCCCCc1ccccc1 Amb17233312 [0,1,0,0,0,0|1,0,0]=2 1018 B13R1.28 NCCCCCCc1ccccn1 Amb18564087 [0,1,0,0,0,0|2,0,0]=3 1019 B13R1.28 NCCCCCOc1ccccc1 Amb17233606 [0,1,0,0,0,0|1,0,0]=2 1020 B13R1.28 NCCCCCSc1ccccc1 Amb18321384 [0,1,0,0,0,0|1,0,0]=2 1021 B13R1.28 NCCCCCSc1ccccc1 Amb32662100 [0,1,0,0,0,0|1,0,0]=2 1022 B13R1.28 NCCCCCSc1ccccn1 Amb18321554 [0,1,0,0,0,0|2,0,0]=3 1023 B13R1.28 NCCCCCSc1ccccn1 Amb32662134 [0,1,0,0,0,0|2,0,0]=3 1024 B13R1.28 NCCCCCSc1ncccn1 Amb19054694 [0,1,0,0,0,0|3,0,0]=4 1025 B13R1.28 NCCCCCSc1ncccn1 Amb32662116 [0,1,0,0,0,0|3,0,0]=4 1026 B13R1.28 NCCCCOCc1ccccc1 Amb6246928 [0,1,0,0,0,0|1,0,0]=2 1027 B13R1.28 NCCCCSCc1ccccc1 Amb9391663 [0,1,0,0,0,0|1,0,0]=2 1028 B13R1.28 NCCCNCCc1ccccc1 Amb17315277 [0,1,0,0,0,0|1,0,0]=2 1029 B13R1.28 NCCCOCCc1ccccc1 Amb7764729 [0,1,0,0,0,0|1,0,0]=2 1030 B13R1.28 NCCNCC#Cc1ccccc1 Amb18183869 [0,1,0,0,0,0|1,0,2]=4 1031 B13R1.28 NCCNCCCc1ccccc1 Amb17091041 [0,1,0,0,0,0|1,0,0]=2 1032 B13R1.28 NCCNCCOc1ccccc1 Amb18181182 [0,1,0,0,0,0|2,0,0]=3 1033 B13R1.28 NCCOCCCc1ccncc1 Amb9208860 [0,1,0,0,0,0|2,0,0]=3 1034 B13R1.28 NCCOCCOc1ccccc1 Amb10609253 [0,1,0,0,0,0|2,0,0]=3 1035 B13R1.28 NCCOCCOc1ccccc1 Amb6248766 [0,1,0,0,0,0|2,0,0]=3 1036 B13R1.28 NCCOCCSc1ccccc1 Amb17402217 [0,1,0,0,0,0|2,0,0]=3 1037 B13R1.28 NCCOCCSc1ccccc1 Amb32662201 [0,1,0,0,0,0|2,0,0]=3 1038 B13R1.28 NCCOCCSc1ccccn1 Amb22642687 [0,1,0,0,0,0|3,0,0]=4 1039 B13R1.28 NCCOCCSc1ccccn1 Amb32662220 [0,1,0,0,0,0|3,0,0]=4 1040 B13R1.28 NCCSCC#Cc1ccccc1 Amb18327874 [0,1,0,0,0,0|1,0,2]=4 1041 B13R1.28 NCCSCOCc1ccccc1 Amb27945919 [0,1,0,0,0,0|2,0,0]=3 1042 B13R1.28 NCCSC\C=C\c1ccccc1 Amb9727179 [0,1,0,0,0,0|1,0,2]=4 1043 B13R1.28 NC\C=C\CNCc1ccccc1 Amb27648518 [0,1,0,0,0,0|1,0,2]=4 1044 B13R1.28 NNCCCOCc1ccccc1 Amb32668974 [0,1,0,0,0,0|2,0,0]=3 1045 B13R1.28 NOCCCOCc1ccccc1 Amb25144104 [0,1,0,0,0,0|1,0,0]=2 1046 B13R1.28 O=C=NCCCOc1ccccc1 Amb20668029 [0,1,0,0,0,0|1,0,2]=4 1047 B13R1.28 O=CCCCCOc1ccccc1 Amb18790943 [0,1,0,0,0,0|0,0,2]=3 1048 B13R1.28 O=CCCCOCc1ccccc1 Amb26588994 [0,1,0,0,0,0|0,0,2]=3 1049 B13R1.28 O=CCOCCCc1ccccc1 Amb18790942 [0,1,0,0,0,0|0,0,2]=3 1050 B13R1.28 OCC#CCNCc1ccccc1 Amb27588956 [0,1,0,0,0,0|0,0,2]=3 1051 B13R1.28 OCCC#CC#Cc1ccccc1 Amb28319617 [0,1,0,0,0,0|0,0,3]=4 1052 B13R1.28 OCCCC#CCc1ccccn1 Amb28349356 [0,1,0,0,0,0|1,0,1]=3 1053 B13R1.28 OCCCC#CCc1ccncc1 Amb28282133 [0,1,0,0,0,0|1,0,1]=3 1054 B13R1.28 OCCCC#CSc1ccccc1 Amb28190331 [0,1,0,0,0,0|0,0,2]=3 1055 B13R1.28 OCCCCCCc1ccccc1 Amb8515378 [0,1,0,0,0,0|0,0,0]=1 1056 B13R1.28 OCCCCCCc1ccccn1 Amb32430377 [0,1,0,0,0,0|1,0,0]=2 1057 B13R1.28 OCCCCCCc1cccnc1 Amb9805461 [0,1,0,0,0,0|1,0,0]=2 1058 B13R1.28 OCCCCCCc1ncccn1 Amb24061347 [0,1,0,0,0,0|2,0,0]=3 1059 B13R1.28 OCCCCNCc1ccccc1 Amb6334835 [0,1,0,0,0,0|0,0,0]=1 1060 B13R1.28 OCCCCNCc1cccnc1 Amb838401 [0,1,0,0,0,0|1,0,0]=2 1061 B13R1.28 OCCCCNCc1ccncc1 Amb837719 [0,1,0,0,0,0|1,0,0]=2 1062 B13R1.28 OCCCCOCc1ccccc1 Amb3939246 [0,1,0,0,0,0|0,0,0]=1 1063 B13R1.28 OCCCNCCc1ccccc1 Amb6733591 [0,1,0,0,0,0|0,0,0]=1 1064 B13R1.28 OCCCOCCc1ccccc1 Amb10609118 [0,1,0,0,0,0|0,0,0]=1 1065 B13R1.28 OCCNCC#Cc1ccccc1 Amb6857500 [0,1,0,0,0,0|0,0,2]=3 1066 B13R1.28 OCCNCCCc1ccccc1 Amb7757048 [0,1,0,0,0,0|0,0,0]=1 1067 B13R1.28 OCCNCCOc1ccccc1 Amb9783999 [0,1,0,0,0,0|1,0,0]=2 1068 B13R1.28 OCCNCCOc1ccccn1 Amb32653051 [0,1,0,0,0,0|2,0,0]=3 1069 B13R1.28 OCCNCOCc1ccccc1 Amb27597600 [0,1,0,0,0,0|1,0,0]=2 1070 B13R1.28 OCCNC\C=C\c1ccccc1 Amb1926880 [0,1,0,0,0,0|0,0,2]=3 1071 B13R1.28 OCCNC\C=C\c1ccccc1 Amb6864512 [0,1,0,0,0,0|0,0,2]=3 1072 B13R1.28 OCCOCCOc1ccccc1 Amb18796575 [0,1,0,0,0,0|1,0,0]=2 1073 B13R1.28 OCCOCOCc1ccccc1 Amb27390681 [0,1,0,0,0,0|1,0,0]=2 1074 B13R1.28 OCCSCCCc1ccccc1 Amb9362854 [0,1,0,0,0,0|0,0,0]=1 1075 B13R1.28 OCC\C=N\OCc1ccccc1 Amb27617831 [0,1,0,0,0,0|1,0,1]=3 1076 B13R1.28 OC\C=C/COCc1ccccc1 Amb9825931 [0,1,0,0,0,0|0,0,2]=3 1077 B13R1.28 OC\C=C\COCc1ccccc1 Amb27180534 [0,1,0,0,0,0|0,0,2]=3 1078 B13R1.28 S=C=NCCCCc1ccccc1 Amb2726193 [0,1,0,0,0,0|0,1,1]=3 1079 B13R1.28 S=C=NCCCSc1ccccc1 Amb29845294 [0,1,0,0,0,0|1,1,1]=4 1080 B13R1.28 S=C=NCCSCc1ccccc1 Amb29845269 [0,1,0,0,0,0|1,1,1]=4 1081 B13R1.28 SC\C=C\COCc1ccccc1 Amb27651552 [0,1,0,0,0,0|0,1,2]=4 1082 B13R1.42 C#CCC(O)CNc1ccccc1 Amb29875352 [0,1,0,0,0,0|2,0,1]=4 1083 B13R1.42 C=CCC(C)NCc1ccccc1 Amb18127528 [0,1,0,0,0,0|2,0,1]=4 1084 B13R1.42 C=CCC(O)CCc1ccccc1 Amb8392369 [0,1,0,0,0,0|1,0,1]=3 1085 B13R1.42 CC#CC(O)CCc1ccccc1 Amb17619341 [0,1,0,0,0,0|1,0,2]=4 1086 B13R1.42 CC(CC#N)NCc1ccccc1 Amb17334998 [0,1,0,0,0,0|2,0,1]=4 1087 B13R1.42 CC(CCBr)NCc1ccccc1 Amb27443745 [0,1,0,0,0,0|2,0,0]=3 1088 B13R1.42 CC(CCCl)OCc1ccccc1 Amb27865562 [0,1,0,0,0,0|2,0,0]=3 1089 B13R1.42 CC(CCO)CCc1ccccc1 Amb533017 [0,1,0,0,0,0|0,0,0]=1 1090 B13R1.42 CC(CCO)NCc1ccccc1 Amb18128514 [0,1,0,0,0,0|1,0,0]=2 1091 B13R1.42 CC(CCO)OCc1ccccc1 Amb24533309 [0,1,0,0,0,0|1,0,0]=2 1092 B13R1.42 CC(CCc1ccccc1)N=C=O Amb33081222 [0,1,0,0,0,0|1,0,2]=4 1093 B13R1.42 CC(\C=C\c1ccccc1)CCN Amb33081133 [0,1,0,0,0,0|1,0,2]=4 1094 B13R1.42 CCCC(=N)NCc1ccccc1 Amb27973328 [0,1,0,0,0,0|2,0,1]=4 1095 B13R1.42 CCCC(=O)CCc1ccccc1 Amb9031589 [0,1,0,0,0,0|1,0,1]=3 1096 B13R1.42 CCCC(=O)CSc1ccccc1 Amb18330492 [0,1,0,0,0,0|2,0,1]=4 1097 B13R1.42 CCCC(=O)NCc1ccccc1 Amb2701481 [0,1,0,0,0,0|2,0,1]=4 1098 B13R1.42 CCCC(=O)OCc1ccccc1 Amb6357333 [0,1,0,0,0,0|2,0,1]=4 1099 B13R1.42 CCCC(C)CNc1cccnc1 Amb6719794 [0,1,0,0,0,0|3,0,0]=4 1100 B13R1.42 CCCC(C)NCc1ccccc1 Amb21959687 [0,1,0,0,0,0|2,0,0]=3 1101 B13R1.42 CCCC(C)NCc1ccccc1 Amb9743669 [0,1,0,0,0,0|2,0,0]=3 1102 B13R1.42 CCCC(N)CCc1ccccc1 Amb9031789 [0,1,0,0,0,0|1,0,0]=2 1103 B13R1.42 CCCC(O)C#Cc1ccccc1 Amb2721603 [0,1,0,0,0,0|1,0,2]=4 1104 B13R1.42 CCCC(O)NCc1ccccc1 Amb27407815 [0,1,0,0,0,0|2,0,0]=3 1105 B13R1.42 CCC[C@H](O)C#Cc1ccccc1 Amb27448468 [0,1,0,0,0,0|1,0,2]=4 1106 B13R1.42 CCNC(=O)CCc1ccccc1 Amb6542498 [0,1,0,0,0,0|2,0,1]=4 1107 B13R1.42 CCOC(=O)CCc1ccccc1 Amb3940133 [0,1,0,0,0,0|2,0,1]=4 1108 B13R1.42 CCOC(C)OCc1ccccc1 Amb28247923 [0,1,0,0,0,0|3,0,0]=4 1109 B13R1.42 CCSC(C)OCc1ccccc1 Amb28292482 [0,1,0,0,0,0|3,0,0]=4 1110 B13R1.42 CN(CC#N)CCc1ccccc1 Amb17335003 [0,1,0,0,0,0|2,0,1]=4 1111 B13R1.42 CN(CCN)CCc1ccccc1 Amb8956767 [0,1,0,0,0,0|2,0,0]=3 1112 B13R1.42 CN(CCN)CCc1ccncc1 Amb5357837 [0,1,0,0,0,0|3,0,0]=4 1113 B13R1.42 CN(CCO)CCc1ccccc1 Amb17335356 [0,1,0,0,0,0|1,0,0]=2 1114 B13R1.42 CN(CCO)OCc1ccccc1 Amb27802420 [0,1,0,0,0,0|2,0,0]=3 1115 B13R1.42 CNCC(O)COc1ccccc1 Amb9741108 [0,1,0,0,0,0|3,0,0]=4 1116 B13R1.42 COCC(C)NCc1ccccc1 Amb6689699 [0,1,0,0,0,0|3,0,0]=4 1117 B13R1.42 COCC(O)CNc1ccccc1 Amb2721933 [0,1,0,0,0,0|3,0,0]=4 1118 B13R1.42 COC[C@@H](C)NCc1ccccc1 Amb28345204 [0,1,0,0,0,0|3,0,0]=4 1119 B13R1.42 C[C@@H](CCO)NCc1ccccc1 Amb27179186 [0,1,0,0,0,0|1,0,0]=2 1120 B13R1.42 C[C@H](CC=O)OCc1ccccc1 Amb27755041 [0,1,0,0,0,0|1,0,2]=4 1121 B13R1.42 ClCCC(Cl)C#Cc1ccccc1 Amb27841552 [0,1,0,0,0,0|1,0,2]=4 1122 B13R1.42 N#CCC(=O)CCc1ccccc1 Amb7768258 [0,1,0,0,0,0|1,0,2]=4 1123 B13R1.42 N#CCC(N)COc1ccccc1 Amb17400556 [0,1,0,0,0,0|2,0,1]=4 1124 B13R1.42 N#CCC(O)CCc1ccccc1 Amb17233087 [0,1,0,0,0,0|1,0,1]=3 1125 B13R1.42 N#CCC(O)CCc1cccnc1 Amb17233194 [0,1,0,0,0,0|2,0,1]=4 1126 B13R1.42 N#CCC(O)COc1ccccc1 Amb17233257 [0,1,0,0,0,0|2,0,1]=4 1127 B13R1.42 N#CCS(=O)CCc1ccccc1 Amb28990839 [0,1,0,0,0,0|2,0,1]=4 1128 B13R1.42 NC(\C=C\c1ccccc1)CCO Amb32954745 [0,1,0,0,0,0|0,0,2]=3 1129 B13R1.42 NCCC(=O)NCc1ccccc1 Amb15740949 [0,1,0,0,0,0|2,0,1]=4 1130 B13R1.42 NCCC(=O)NCc1ccccc1 Amb5784981 [0,1,0,0,0,0|2,0,1]=4 1131 B13R1.42 NCCC(=O)OCc1ccccc1 Amb33549621 [0,1,0,0,0,0|2,0,1]=4 1132 B13R1.42 NCCC(=O)OCc1ccccc1 Amb6740279 [0,1,0,0,0,0|2,0,1]=4 1133 B13R1.42 NCCC(F)\C=C\c1ccccc1 Amb33081748 [0,1,0,0,0,0|1,0,2]=4 1134 B13R1.42 NCCC(O)CCc1ccccc1 Amb17233561 [0,1,0,0,0,0|1,0,0]=2 1135 B13R1.42 NCCC(O)\C=C\c1ccccc1 Amb33081221 [0,1,0,0,0,0|1,0,2]=4 1136 B13R1.42 NCC[C@@H](O)\C=C\c1ccccc1 Amb33080768 [0,1,0,0,0,0|1,0,2]=4 1137 B13R1.42 NCC[C@H](O)\C=C\c1ccccc1 Amb33080769 [0,1,0,0,0,0|1,0,2]=4 1138 B13R1.42 NOCC(O)COc1ccccc1 Amb17104957 [0,1,0,0,0,0|3,0,0]=4 1139 B13R1.42 O=C(CCBr)OCc1ccccc1 Amb22232000 [0,1,0,0,0,0|2,0,1]=4 1140 B13R1.42 O=C(CCCl)NCc1ccccc1 Amb1931859 [0,1,0,0,0,0|2,0,1]=4 1141 B13R1.42 O=C(CCCl)OCc1ccccc1 Amb26951432 [0,1,0,0,0,0|2,0,1]=4 1142 B13R1.42 O=C(CCF)OCc1ccccc1 Amb22497154 [0,1,0,0,0,0|2,0,1]=4 1143 B13R1.42 O=C(CCO)NCc1ccccc1 Amb17335299 [0,1,0,0,0,0|1,0,1]=3 1144 B13R1.42 O=C(CCO)NCc1ccccn1 Amb17335412 [0,1,0,0,0,0|2,0,1]=4 1145 B13R1.42 O=C(CCO)NCc1cccnc1 Amb17335413 [0,1,0,0,0,0|2,0,1]=4 1146 B13R1.42 O=C(CCO)NCc1ccncc1 Amb17335414 [0,1,0,0,0,0|2,0,1]=4 1147 B13R1.42 O=C(CCO)NNc1ccccc1 Amb27180414 [0,1,0,0,0,0|2,0,1]=4 1148 B13R1.42 O=C(CCO)OCc1ccccc1 Amb17609079 [0,1,0,0,0,0|1,0,1]=3 1149 B13R1.42 O=C(CCS)NCc1ccccc1 Amb27947419 [0,1,0,0,0,0|1,1,1]=4 1150 B13R1.42 O=C(CCS)OCc1ccccc1 Amb24495479 [0,1,0,0,0,0|1,1,1]=4 1151 B13R1.42 O=C(NCO)OCc1ccccc1 Amb10066979 [0,1,0,0,0,0|2,0,1]=4 1152 B13R1.42 O=C(\C=C\O)CCc1ccccc1 Amb17777852 [0,1,0,0,0,0|0,0,3]=4 1153 B13R1.42 O=S(CCCl)NCc1ccccc1 Amb27771944 [0,1,0,0,0,0|3,0,0]=4 1154 B13R1.42 OCCC(O)C#Cc1ccccc1 Amb28315074 [0,1,0,0,0,0|0,0,2]=3 1155 B13R1.42 OC\C=C(\Cl)CNc1ccccc1 Amb27876075 [0,1,0,0,0,0|1,0,2]=4 1156 B13R1.44 C#CCNC(C)Cc1ccccc1 Amb17618673 [0,1,0,0,0,0|2,0,1]=4 1157 B13R1.44 C#CCNC(C)Cc1ccccc1 Amb33549982 [0,1,0,0,0,0|2,0,1]=4 1158 B13R1.44 C=CCCC(=O)Cc1ccccc1 Amb32676781 [0,1,0,0,0,0|1,0,2]=4 1159 B13R1.44 C=CCCC(C)Nc1ccccc1 Amb33363053 [0,1,0,0,0,0|2,0,1]=4 1160 B13R1.44 C=CCCN(C)Cc1ccccc1 Amb27651523 [0,1,0,0,0,0|2,0,1]=4 1161 B13R1.44 CC(CCC#N)Nc1ccccc1 Amb35661403 [0,1,0,0,0,0|2,0,1]=4 1162 B13R1.44 CC(CCCO)Nc1ccccc1 Amb21984572 [0,1,0,0,0,0|1,0,0]=2 1163 B13R1.44 CCCCC(=O)Cc1ccccc1 Amb3940684 [0,1,0,0,0,0|1,0,1]=3 1164 B13R1.44 CCCCC(=O)Nc1ccccc1 Amb3104073 [0,1,0,0,0,0|2,0,1]=4 1165 B13R1.44 CCCCC(=O)Oc1ccccc1 Amb3123544 [0,1,0,0,0,0|2,0,1]=4 1166 B13R1.44 CCCCC(O)Cc1ccccc1 Amb4034774 [0,1,0,0,0,0|1,0,0]=2 1167 B13R1.44 CCCCC(O)Cc1ccccn1 Amb10573728 [0,1,0,0,0,0|2,0,0]=3 1168 B13R1.44 CCCCN(C)Cc1ccccc1 Amb1828371 [0,1,0,0,0,0|2,0,0]=3 1169 B13R1.44 CCCNC(C)Cc1ccccc1 Amb18180702 [0,1,0,0,0,0|2,0,0]=3 1170 B13R1.44 CCCOC(=O)Cc1ccccc1 Amb9242897 [0,1,0,0,0,0|2,0,1]=4 1171 B13R1.44 CCSCC(=O)Cc1ccccc1 Amb9668576 [0,1,0,0,0,0|2,0,1]=4 1172 B13R1.44 CN(CCC#N)Cc1ccccc1 Amb577252 [0,1,0,0,0,0|2,0,1]=4 1173 B13R1.44 CN(CCCBr)Cc1ccccc1 Amb27235848 [0,1,0,0,0,0|2,0,0]=3 1174 B13R1.44 CN(CCCCl)Cc1ccccc1 Amb17337263 [0,1,0,0,0,0|2,0,0]=3 1175 B13R1.44 CN(CCCCl)Cc1ccncc1 Amb17337375 [0,1,0,0,0,0|3,0,0]=4 1176 B13R1.44 CN(CCCN)Cc1ccccc1 Amb22001972 [0,1,0,0,0,0|2,0,0]=3 1177 B13R1.44 CN(CCCN)Cc1ccccc1 Amb2371220 [0,1,0,0,0,0|2,0,0]=3 1178 B13R1.44 CN(CCCN)Cc1ccccn1 Amb6670573 [0,1,0,0,0,0|3,0,0]=4 1179 B13R1.44 CN(CCCN)Cc1cccnc1 Amb6670574 [0,1,0,0,0,0|3,0,0]=4 1180 B13R1.44 CN(CCCN)Cc1ccncc1 Amb6670559 [0,1,0,0,0,0|3,0,0]=4 1181 B13R1.44 CN(CCCO)Cc1ccccc1 Amb9246592 [0,1,0,0,0,0|1,0,0]=2 1182 B13R1.44 CN(CCON)Cc1ccccc1 Amb17104856 [0,1,0,0,0,0|3,0,0]=4 1183 B13R1.44 CNCCN(C)Cc1ccccc1 Amb6715270 [0,1,0,0,0,0|3,0,0]=4 1184 B13R1.44 C\C(=C/c1ccccc1)CCCBr Amb33381474 [0,1,0,0,0,0|1,0,2]=4 1185 B13R1.44 C\C(=C/c1ccccc1)CCCN Amb32951765 [0,1,0,0,0,0|1,0,2]=4 1186 B13R1.44 C\C(=C/c1ccccc1)CCCO Amb33081745 [0,1,0,0,0,0|0,0,2]=3 1187 B13R1.44 C\C(=C/c1ccccc1)CCCS Amb33381252 [0,1,0,0,0,0|0,1,2]=4 1188 B13R1.44 NC(CCCO)Cc1ccccc1 Amb9782428 [0,1,0,0,0,0|0,0,0]=1 1189 B13R1.44 NCCCC(=O)Nc1ccccc1 Amb13952779 [0,1,0,0,0,0|2,0,1]=4 1190 B13R1.44 NCCCC(=O)Nc1ccccc1 Amb5785178 [0,1,0,0,0,0|2,0,1]=4 1191 B13R1.44 NCCNC(=O)Cc1ccccc1 Amb33527053 [0,1,0,0,0,0|2,0,1]=4 1192 B13R1.44 NCCNC(=O)Cc1ccccc1 Amb6245780 [0,1,0,0,0,0|2,0,1]=4 1193 B13R1.44 O=C(CCCCl)Nc1ccccc1 Amb1125144 [0,1,0,0,0,0|2,0,1]=4 1194 B13R1.44 O=C(CCCO)Nc1ccccc1 Amb17233533 [0,1,0,0,0,0|1,0,1]=3 1195 B13R1.44 O=C(CCCO)Nc1ccccn1 Amb29872187 [0,1,0,0,0,0|2,0,1]=4 1196 B13R1.44 O=C(CCCO)Nc1cccnc1 Amb27597404 [0,1,0,0,0,0|2,0,1]=4 1197 B13R1.44 O=C(CSCO)Nc1ccccc1 Amb27255517 [0,1,0,0,0,0|2,0,1]=4 1198 B13R1.44 O=C(Cc1ccccc1)NCCCl Amb2429404 [0,1,0,0,0,0|2,0,1]=4 1199 B13R1.44 O=C(Cc1ccccc1)NCCO Amb2437031 [0,1,0,0,0,0|1,0,1]=3 1200 B13R1.44 O=C(Cc1ccccc1)OCCCl Amb24065572 [0,1,0,0,0,0|2,0,1]=4 1201 B13R1.44 O=C(NCCO)Oc1ccccc1 Amb9242398 [0,1,0,0,0,0|2,0,1]=4 1202 B13R1.44 OCCNC(=S)Nc1ccccc1 Amb6572590 [0,1,0,0,0,0|2,0,1]=4 1203 B13R1.44 OCC\N=C(/S)Nc1ccccc1 Amb8470270 [0,1,0,0,0,0|2,0,1]=4 1204 B13R1.44 [N-]=[N+]=NCC(O)Cc1ccccc1 Amb32666274 [0,1,0,0,0,0|3,0,0]=4 1205 B13R1.44 [N-]=[N+]=NC[C@@H](O)Cc1ccccc1 Amb32652510 [0,1,0,0,0,0|3,0,0]=4 1206 B13R1.44 [N-]=[N+]=NC[C@H](O)Cc1ccccc1 Amb32652990 [0,1,0,0,0,0|3,0,0]=4 1207 B13R1.337 C=C(C)CCOCc1ccccc1 Amb27609705 [0,1,0,0,0,0|2,0,1]=4 1208 B13R1.337 CC(=O)CCCCc1ccccc1 Amb8392140 [0,1,0,0,0,0|0,0,2]=3 1209 B13R1.337 CC(=O)CCCSc1ccccc1 Amb9283938 [0,1,0,0,0,0|1,0,2]=4 1210 B13R1.337 CC(=O)CCNCc1ccccc1 Amb23399608 [0,1,0,0,0,0|1,0,2]=4 1211 B13R1.337 CC(=O)CCNCc1ccccc1 Amb8388282 [0,1,0,0,0,0|1,0,2]=4 1212 B13R1.337 CC(=O)CCOCc1ccccc1 Amb16233219 [0,1,0,0,0,0|1,0,2]=4 1213 B13R1.337 CC(=O)CCSCc1ccccc1 Amb9224165 [0,1,0,0,0,0|1,0,2]=4 1214 B13R1.337 CC(C)CCNCc1ccccc1 Amb875690 [0,1,0,0,0,0|2,0,0]=3 1215 B13R1.337 CC(C)CCNCc1ccccn1 Amb875992 [0,1,0,0,0,0|3,0,0]=4 1216 B13R1.337 CC(C)CCNCc1cccnc1 Amb2172489 [0,1,0,0,0,0|3,0,0]=4 1217 B13R1.337 CC(C)CCNCc1cccnc1 Amb875738 [0,1,0,0,0,0|3,0,0]=4 1218 B13R1.337 CC(C)CCNCc1ccncc1 Amb2172479 [0,1,0,0,0,0|3,0,0]=4 1219 B13R1.337 CC(C)CCNCc1ccncc1 Amb875729 [0,1,0,0,0,0|3,0,0]=4 1220 B13R1.337 CC(C)CCOCc1ccccc1 Amb22230283 [0,1,0,0,0,0|2,0,0]=3 1221 B13R1.337 CC(C)CNCCc1ccccc1 Amb2119559 [0,1,0,0,0,0|2,0,0]=3 1222 B13R1.337 CC(C)CNCCc1ccccc1 Amb6695471 [0,1,0,0,0,0|2,0,0]=3 1223 B13R1.337 CC(C)CNCCc1ccccn1 Amb6694379 [0,1,0,0,0,0|3,0,0]=4 1224 B13R1.337 CC(C)CONCc1ccccc1 Amb25717813 [0,1,0,0,0,0|3,0,0]=4 1225 B13R1.337 CC(C)CONCc1ccccc1 Amb32663143 [0,1,0,0,0,0|3,0,0]=4 1226 B13R1.337 CC(C)NCCCc1ccccc1 Amb2097980 [0,1,0,0,0,0|2,0,0]=3 1227 B13R1.337 CC(C)NCCCc1ccccc1 Amb6242639 [0,1,0,0,0,0|2,0,0]=3 1228 B13R1.337 CC(C)NCCOc1ccccc1 Amb13949173 [0,1,0,0,0,0|3,0,0]=4 1229 B13R1.337 CC(C)NCCOc1ccccc1 Amb7759554 [0,1,0,0,0,0|3,0,0]=4 1230 B13R1.337 CC(C)NCCSc1ccccc1 Amb10608751 [0,1,0,0,0,0|3,0,0]=4 1231 B13R1.337 CC(C)SCCNc1ccccc1 Amb17307514 [0,1,0,0,0,0|3,0,0]=4 1232 B13R1.337 CC(Cl)CCOCc1ccccc1 Amb27179202 [0,1,0,0,0,0|2,0,0]=3 1233 B13R1.337 CC(N)CCOCc1ccccc1 Amb18180974 [0,1,0,0,0,0|2,0,0]=3 1234 B13R1.337 CC(N)CC\C=C\c1ccccc1 Amb32954844 [0,1,0,0,0,0|1,0,2]=4 1235 B13R1.337 CC(N)\C=C\CCc1ccccc1 Amb33082113 [0,1,0,0,0,0|1,0,2]=4 1236 B13R1.337 CC(O)CC#CCc1ccccc1 Amb28455685 [0,1,0,0,0,0|0,0,2]=3 1237 B13R1.337 CC(O)CCNCc1ccccn1 Amb33496528 [0,1,0,0,0,0|2,0,0]=3 1238 B13R1.337 CC(O)CCNCc1cccnc1 Amb33496493 [0,1,0,0,0,0|2,0,0]=3 1239 B13R1.337 CC(O)CCNCc1ccncc1 Amb33496478 [0,1,0,0,0,0|2,0,0]=3 1240 B13R1.337 CC(O)CCOCc1ccccc1 Amb18809337 [0,1,0,0,0,0|1,0,0]=2 1241 B13R1.337 CC(O)CC\C=C\c1ccccc1 Amb18808901 [0,1,0,0,0,0|0,0,2]=3 1242 B13R1.337 CC(O)CNCCc1ccccc1 Amb6888028 [0,1,0,0,0,0|1,0,0]=2 1243 B13R1.337 CN(C)CCNCc1ccccc1 Amb3938959 [0,1,0,0,0,0|3,0,0]=4 1244 B13R1.337 CS(=O)CCNCc1ccccc1 Amb27249261 [0,1,0,0,0,0|2,0,1]=4 1245 B13R1.337 C[C@@H](N)CC\C=C\c1ccccc1 Amb33080794 [0,1,0,0,0,0|1,0,2]=4 1246 B13R1.337 C[C@@H](O)CC\C=C\c1ccccc1 Amb33080791 [0,1,0,0,0,0|0,0,2]=3 1247 B13R1.337 C[C@H](N)CC\C=C\c1ccccc1 Amb33080760 [0,1,0,0,0,0|1,0,2]=4 1248 B13R1.337 C[C@H](O)CC\C=C\c1ccccc1 Amb33081535 [0,1,0,0,0,0|0,0,2]=3 1249 B13R1.337 FC(F)CCNCc1ccccc1 Amb27235414 [0,1,0,0,0,0|2,0,0]=3 1250 B13R1.337 FC(F)CNCCc1ccccc1 Amb16229908 [0,1,0,0,0,0|2,0,0]=3 1251 B13R1.337 FC(F)CNOCc1ccccc1 Amb27954845 [0,1,0,0,0,0|3,0,0]=4 1252 B13R1.337 N=C(N)CCCOc1ccccc1 Amb6281567 [0,1,0,0,0,0|2,0,1]=4 1253 B13R1.337 N=C(N)CCCOc1ccccc1 Amb8630657 [0,1,0,0,0,0|2,0,1]=4 1254 B13R1.337 N=C(N)CCOCc1ccccc1 Amb8630423 [0,1,0,0,0,0|2,0,1]=4 1255 B13R1.337 N=C(N)NCCCc1ccccc1 Amb838721 [0,1,0,0,0,0|2,0,1]=4 1256 B13R1.337 N=C(N)SCCCc1ccccc1 Amb20676023 [0,1,0,0,0,0|2,0,1]=4 1257 B13R1.337 NC(=O)CCCSc1ccccc1 Amb8997736 [0,1,0,0,0,0|1,0,2]=4 1258 B13R1.337 NC(=O)CCNCc1ccccc1 Amb1223227 [0,1,0,0,0,0|1,0,2]=4 1259 B13R1.337 NC(=O)CCNCc1ccccc1 Amb7077033 [0,1,0,0,0,0|1,0,2]=4 1260 B13R1.337 NC(=O)CCOCc1ccccc1 Amb18796124 [0,1,0,0,0,0|1,0,2]=4 1261 B13R1.337 NC(=O)NCCCc1ccccc1 Amb19514748 [0,1,0,0,0,0|1,0,2]=4 1262 B13R1.337 NC(=O)OCCCc1ccccc1 Amb8629108 [0,1,0,0,0,0|1,0,2]=4 1263 B13R1.337 NC(=S)CCCOc1ccccc1 Amb6274847 [0,1,0,0,0,0|1,1,1]=4 1264 B13R1.337 NC(=S)COCCc1ccccc1 Amb9208588 [0,1,0,0,0,0|1,1,1]=4 1265 B13R1.337 NC(=S)NCCCc1ccccc1 Amb2690319 [0,1,0,0,0,0|1,1,1]=4 1266 B13R1.337 O=C(Cl)CCCCc1ccccc1 Amb5739990 [0,1,0,0,0,0|0,0,2]=3 1267 B13R1.337 O=C(Cl)CCCOc1ccccc1 Amb3939585 [0,1,0,0,0,0|1,0,2]=4 1268 B13R1.337 O=C(Cl)CCCSc1ccccc1 Amb17143638 [0,1,0,0,0,0|1,0,2]=4 1269 B13R1.337 O=C(Cl)CCOCc1ccccc1 Amb27146810 [0,1,0,0,0,0|1,0,2]=4 1270 B13R1.337 O=C(O)C#CCCc1ccccc1 Amb25674935 [0,1,0,0,0,0|0,0,3]=4 1271 B13R1.337 O=C(O)CC#CCc1ccccc1 Amb28325663 [0,1,0,0,0,0|0,0,3]=4 1272 B13R1.337 O=C(O)CCC#Cc1ccccc1 Amb26874532 [0,1,0,0,0,0|0,0,3]=4 1273 B13R1.337 O=C(O)CCCC[n+]1ccccc1 Amb17098179 [0,1,0,0,0,0|1,0,1]=3 1274 B13R1.337 O=C(O)CCCCc1ccccc1 Amb3940028 [0,1,0,0,0,0|0,0,1]=2 1275 B13R1.337 O=C(O)CCCCc1cccnc1 Amb18128434 [0,1,0,0,0,0|1,0,1]=3 1276 B13R1.337 O=C(O)CCCNc1ccccc1 Amb10189157 [0,1,0,0,0,0|1,0,1]=3 1277 B13R1.337 O=C(O)CCCNc1ccccc1 Amb6260555 [0,1,0,0,0,0|1,0,1]=3 1278 B13R1.337 O=C(O)CCCNc1ccccn1 Amb6257146 [0,1,0,0,0,0|2,0,1]=4 1279 B13R1.337 O=C(O)CCCOc1ccccc1 Amb1233059 [0,1,0,0,0,0|1,0,1]=3 1280 B13R1.337 O=C(O)CCCOc1cccnc1 Amb18809466 [0,1,0,0,0,0|2,0,1]=4 1281 B13R1.337 O=C(O)CCCSc1ccccc1 Amb1105630 [0,1,0,0,0,0|1,0,1]=3 1282 B13R1.337 O=C(O)CCNCc1ccccc1 Amb1207218 [0,1,0,0,0,0|1,0,1]=3 1283 B13R1.337 O=C(O)CCNCc1ccccc1 Amb6892614 [0,1,0,0,0,0|1,0,1]=3 1284 B13R1.337 O=C(O)CCNCc1ccccn1 Amb10187384 [0,1,0,0,0,0|2,0,1]=4 1285 B13R1.337 O=C(O)CCNCc1ccccn1 Amb1111102 [0,1,0,0,0,0|2,0,1]=4 1286 B13R1.337 O=C(O)CCNCc1cccnc1 Amb1110655 [0,1,0,0,0,0|2,0,1]=4 1287 B13R1.337 O=C(O)CCNCc1cccnc1 Amb19373040 [0,1,0,0,0,0|2,0,1]=4 1288 B13R1.337 O=C(O)CCNCc1ccncc1 Amb10187385 [0,1,0,0,0,0|2,0,1]=4 1289 B13R1.337 O=C(O)CCNCc1ccncc1 Amb1109839 [0,1,0,0,0,0|2,0,1]=4 1290 B13R1.337 O=C(O)CCOCc1ccccc1 Amb6281734 [0,1,0,0,0,0|1,0,1]=3 1291 B13R1.337 O=C(O)CCSCc1ccccc1 Amb1132307 [0,1,0,0,0,0|1,0,1]=3 1292 B13R1.337 O=C(O)CCSCc1ccccn1 Amb6268444 [0,1,0,0,0,0|2,0,1]=4 1293 B13R1.337 O=C(O)CC\C=C\c1ccccc1 Amb17233184 [0,1,0,0,0,0|0,0,3]=4 1294 B13R1.337 O=C(O)CNCCc1ccccc1 Amb19373721 [0,1,0,0,0,0|1,0,1]=3 1295 B13R1.337 O=C(O)CNCCc1ccccc1 Amb7766521 [0,1,0,0,0,0|1,0,1]=3 1296 B13R1.337 O=C(O)COCCc1ccccc1 Amb7790056 [0,1,0,0,0,0|1,0,1]=3 1297 B13R1.337 O=C(O)CSCCc1ccccc1 Amb1244212 [0,1,0,0,0,0|1,0,1]=3 1298 B13R1.337 O=C(O)CSCCc1ccccn1 Amb1798760 [0,1,0,0,0,0|2,0,1]=4 1299 B13R1.337 O=C(O)C\C=C\Cc1ccccc1 Amb32667086 [0,1,0,0,0,0|0,0,3]=4 1300 B13R1.337 O=C(O)\C=C\CCc1ccccc1 Amb17477496 [0,1,0,0,0,0|0,0,3]=4 1301 B13R1.337 O=S([O-])CCOCc1ccccc1 Amb32755085 [0,1,0,0,0,0|2,0,1]=4 1302 B13R1.337 O=[PH](O)CCCCc1ccccc1 Amb24063702 [0,1,0,0,0,0|1,0,0]=2 1303 B13R1.337 OB(O)CCCCc1ccccc1 Amb34174888 [0,1,0,0,0,0|1,0,0]=2 1304 B13R1.337 OB(O)CCOCc1ccccc1 Amb27397891 [0,1,0,0,0,0|2,0,0]=3 1305 B13R1.337 OC(O)CCOCc1ccccc1 Amb27829891 [0,1,0,0,0,0|1,0,0]=2 1306 B13R1.337 OP(O)CCCCc1ccccc1 Amb24101082 [0,1,0,0,0,0|1,0,0]=2 1307 B13R1.555 C=CCCCOc1ccccc1I Amb32410433 [0,1,0,0,0,0|2,0,1]=4 1308 B13R1.555 CCCCC#Cc1ccccc1C Amb27641296 [0,1,0,0,0,0|1,0,2]=4 1309 B13R1.555 CCCCC#Cc1ccccc1N Amb25900192 [0,1,0,0,0,0|1,0,2]=4 1310 B13R1.555 CCCCCCc1ncncc1Br Amb10068160 [0,1,0,0,0,0|3,0,0]=4 1311 B13R1.555 CCCCCNc1ccccc1C Amb6714250 [0,1,0,0,0,0|2,0,0]=3 1312 B13R1.555 CCCCCNc1ccccc1Cl Amb6611214 [0,1,0,0,0,0|2,0,0]=3 1313 B13R1.555 CCCCCNc1ccccc1F Amb6712544 [0,1,0,0,0,0|2,0,0]=3 1314 B13R1.555 CCCCCNc1ncccc1Br Amb19374420 [0,1,0,0,0,0|3,0,0]=4 1315 B13R1.555 CCCCCNc1ncccc1N Amb9205255 [0,1,0,0,0,0|3,0,0]=4 1316 B13R1.555 CCCCCOc1ccccc1N Amb840082 [0,1,0,0,0,0|2,0,0]=3 1317 B13R1.555 CCCCCOc1cccnc1N Amb9208355 [0,1,0,0,0,0|3,0,0]=4 1318 B13R1.555 CCCCCOc1ccncc1N Amb8902736 [0,1,0,0,0,0|3,0,0]=4 1319 B13R1.555 CCCCCOc1cnccc1N Amb33035700 [0,1,0,0,0,0|3,0,0]=4 1320 B13R1.555 CCCCCOc1ncccc1Br Amb19300489 [0,1,0,0,0,0|3,0,0]=4 1321 B13R1.555 CCCCCOc1ncccc1N Amb8902742 [0,1,0,0,0,0|3,0,0]=4 1322 B13R1.555 CCCCCSc1ccccc1N Amb6666821 [0,1,0,0,0,0|2,0,0]=3 1323 B13R1.555 CCCCNCc1ccccc1Br Amb20673550 [0,1,0,0,0,0|2,0,0]=3 1324 B13R1.555 CCCCNCc1ccccc1Br Amb6691117 [0,1,0,0,0,0|2,0,0]=3 1325 B13R1.555 CCCCNCc1ccccc1C Amb1923466 [0,1,0,0,0,0|2,0,0]=3 1326 B13R1.555 CCCCNCc1ccccc1C Amb6865207 [0,1,0,0,0,0|2,0,0]=3 1327 B13R1.555 CCCCNCc1ccccc1Cl Amb1931460 [0,1,0,0,0,0|2,0,0]=3 1328 B13R1.555 CCCCNCc1ccccc1Cl Amb6542612 [0,1,0,0,0,0|2,0,0]=3 1329 B13R1.555 CCCCNCc1ccccc1F Amb6691101 [0,1,0,0,0,0|2,0,0]=3 1330 B13R1.555 CCCCNCc1ccccc1F Amb6865206 [0,1,0,0,0,0|2,0,0]=3 1331 B13R1.555 CCCCNCc1ccccc1O Amb19890814 [0,1,0,0,0,0|2,0,0]=3 1332 B13R1.555 CCCCNCc1ccccc1O Amb936944 [0,1,0,0,0,0|2,0,0]=3 1333 B13R1.555 CCCCSCc1ccccc1Br Amb33859230 [0,1,0,0,0,0|2,0,0]=3 1334 B13R1.555 CCCNCCc1cccnc1C Amb33040284 [0,1,0,0,0,0|3,0,0]=4 1335 B13R1.555 CCNCCOc1ccccc1Br Amb8620386 [0,1,0,0,0,0|3,0,0]=4 1336 B13R1.555 CCNCCOc1ccccc1C Amb28963432 [0,1,0,0,0,0|3,0,0]=4 1337 B13R1.555 CCNCCOc1ccccc1C Amb7760970 [0,1,0,0,0,0|3,0,0]=4 1338 B13R1.555 CCNCCOc1ccccc1Cl Amb7760971 [0,1,0,0,0,0|3,0,0]=4 1339 B13R1.555 CCNCCOc1ccccc1F Amb7760968 [0,1,0,0,0,0|3,0,0]=4 1340 B13R1.555 CCOCCNc1ccccc1N Amb8396582 [0,1,0,0,0,0|3,0,0]=4 1341 B13R1.555 CCOCCOc1ccccc1N Amb2111920 [0,1,0,0,0,0|3,0,0]=4 1342 B13R1.555 CCOCCOc1ccccc1N Amb6676242 [0,1,0,0,0,0|3,0,0]=4 1343 B13R1.555 CNCCCOc1ccccc1Br Amb22588052 [0,1,0,0,0,0|3,0,0]=4 1344 B13R1.555 CNCCCOc1ccccc1Br Amb7798222 [0,1,0,0,0,0|3,0,0]=4 1345 B13R1.555 CNCCCOc1ccccc1C Amb5562391 [0,1,0,0,0,0|3,0,0]=4 1346 B13R1.555 CNCCCOc1ccccc1Cl Amb5562393 [0,1,0,0,0,0|3,0,0]=4 1347 B13R1.555 CNCCCOc1ccccc1F Amb7798486 [0,1,0,0,0,0|3,0,0]=4 1348 B13R1.555 CNCCSCc1ccccc1C Amb18324952 [0,1,0,0,0,0|3,0,0]=4 1349 B13R1.555 CNCCSCc1ccccc1Cl Amb20224037 [0,1,0,0,0,0|3,0,0]=4 1350 B13R1.555 CNCCSCc1ccccc1F Amb20224043 [0,1,0,0,0,0|3,0,0]=4 1351 B13R1.555 COCCCCc1cccnc1N Amb28555947 [0,1,0,0,0,0|3,0,0]=4 1352 B13R1.555 COCCCNc1ccccc1N Amb8843666 [0,1,0,0,0,0|3,0,0]=4 1353 B13R1.555 COCCCOc1ccccc1Br Amb17257505 [0,1,0,0,0,0|3,0,0]=4 1354 B13R1.555 COCCCOc1ccccc1N Amb9026891 [0,1,0,0,0,0|3,0,0]=4 1355 B13R1.555 COCCNCc1ccccc1Br Amb6685749 [0,1,0,0,0,0|3,0,0]=4 1356 B13R1.555 COCCNCc1ccccc1C Amb17622504 [0,1,0,0,0,0|3,0,0]=4 1357 B13R1.555 COCCNCc1ccccc1C Amb6685573 [0,1,0,0,0,0|3,0,0]=4 1358 B13R1.555 COCCNCc1ccccc1Cl Amb13949020 [0,1,0,0,0,0|3,0,0]=4 1359 B13R1.555 COCCNCc1ccccc1Cl Amb4552724 [0,1,0,0,0,0|3,0,0]=4 1360 B13R1.555 COCCNCc1ccccc1F Amb1836065 [0,1,0,0,0,0|3,0,0]=4 1361 B13R1.555 COCCNCc1ccccc1F Amb6865358 [0,1,0,0,0,0|3,0,0]=4 1362 B13R1.555 COCCNCc1ccccc1O Amb1836923 [0,1,0,0,0,0|3,0,0]=4 1363 B13R1.555 COCOCCc1ccccc1F Amb22641546 [0,1,0,0,0,0|3,0,0]=4 1364 B13R1.555 Cc1ccccc1CCCN=C=O Amb31094175 [0,1,0,0,0,0|1,0,2]=4 1365 B13R1.555 Cc1ccccc1CCNCCN Amb31094268 [0,1,0,0,0,0|2,0,0]=3 1366 B13R1.555 Cc1ccccc1CCNCCO Amb17400737 [0,1,0,0,0,0|1,0,0]=2 1367 B13R1.555 Cc1ccccc1CNCCCBr Amb33068942 [0,1,0,0,0,0|2,0,0]=3 1368 B13R1.555 Cc1ccccc1CNCCCBr Amb33164125 [0,1,0,0,0,0|2,0,0]=3 1369 B13R1.555 Cc1ccccc1CNCCCN Amb10075556 [0,1,0,0,0,0|2,0,0]=3 1370 B13R1.555 Cc1ccccc1CNCCCO Amb6733570 [0,1,0,0,0,0|1,0,0]=2 1371 B13R1.555 Cc1ccccc1CSCCC=O Amb19042836 [0,1,0,0,0,0|1,0,2]=4 1372 B13R1.555 Cc1ccccc1CSCCCN Amb10608340 [0,1,0,0,0,0|2,0,0]=3 1373 B13R1.555 Cc1ccccc1NCCCC#N Amb6714254 [0,1,0,0,0,0|2,0,1]=4 1374 B13R1.555 Cc1ccccc1OCCCC#N Amb6274141 [0,1,0,0,0,0|2,0,1]=4 1375 B13R1.555 Cc1ccccc1OCCCCO Amb9370675 [0,1,0,0,0,0|1,0,0]=2 1376 B13R1.555 Clc1ccccc1OCCCCBr Amb8517130 [0,1,0,0,0,0|2,0,0]=3 1377 B13R1.555 Fc1ccccc1C#CCCCCl Amb28249323 [0,1,0,0,0,0|1,0,2]=4 1378 B13R1.555 Fc1ccccc1OCCCCBr Amb8517231 [0,1,0,0,0,0|2,0,0]=3 1379 B13R1.555 N#CCCCNc1ccccc1N Amb28128623 [0,1,0,0,0,0|2,0,1]=4 1380 B13R1.555 N#CCCCOc1ccccc1Br Amb6260920 [0,1,0,0,0,0|2,0,1]=4 1381 B13R1.555 N#CCCCOc1ccccc1F Amb6257254 [0,1,0,0,0,0|2,0,1]=4 1382 B13R1.555 N#CCCNCc1ccccc1Cl Amb6736345 [0,1,0,0,0,0|2,0,1]=4 1383 B13R1.555 N#CCCNCc1ccccc1F Amb6736546 [0,1,0,0,0,0|2,0,1]=4 1384 B13R1.555 N#CCCSCc1ccccc1Cl Amb17502366 [0,1,0,0,0,0|2,0,1]=4 1385 B13R1.555 N#CCNCCc1ccccc1F Amb6710702 [0,1,0,0,0,0|2,0,1]=4 1386 B13R1.555 NCCCC#Cc1ccccc1Br Amb28243176 [0,1,0,0,0,0|1,0,2]=4 1387 B13R1.555 NCCCC#Cc1ccccc1Cl Amb27166025 [0,1,0,0,0,0|1,0,2]=4 1388 B13R1.555 NCCCC#Cc1ccccc1F Amb28186773 [0,1,0,0,0,0|1,0,2]=4 1389 B13R1.555 NCCCCOc1ccccc1Cl Amb32662391 [0,1,0,0,0,0|2,0,0]=3 1390 B13R1.555 NCCCCOc1ccccc1Cl Amb9392564 [0,1,0,0,0,0|2,0,0]=3 1391 B13R1.555 NCCCCOc1ccccc1F Amb32662389 [0,1,0,0,0,0|2,0,0]=3 1392 B13R1.555 NCCCCOc1ccccc1F Amb6248985 [0,1,0,0,0,0|2,0,0]=3 1393 B13R1.555 NCCCCSc1ccccc1Br Amb19374152 [0,1,0,0,0,0|2,0,0]=3 1394 B13R1.555 NCCCCSc1ccccc1Br Amb9391374 [0,1,0,0,0,0|2,0,0]=3 1395 B13R1.555 NCCCNCc1ccccc1Br Amb31094279 [0,1,0,0,0,0|2,0,0]=3 1396 B13R1.555 NCCCNCc1ccccc1Cl Amb2389533 [0,1,0,0,0,0|2,0,0]=3 1397 B13R1.555 NCCCNCc1ccccc1F Amb17315306 [0,1,0,0,0,0|2,0,0]=3 1398 B13R1.555 NCCCSCc1ccccc1Cl Amb10608255 [0,1,0,0,0,0|2,0,0]=3 1399 B13R1.555 NCCCSCc1ccccc1F Amb10608376 [0,1,0,0,0,0|2,0,0]=3 1400 B13R1.555 NCCNCCc1ccccc1Cl Amb31094272 [0,1,0,0,0,0|2,0,0]=3 1401 B13R1.555 NCCNCCc1ccccc1F Amb17091032 [0,1,0,0,0,0|2,0,0]=3 1402 B13R1.555 NCCOCCN1C=CC=CC1=O Amb18542749 [0,1,0,0,0,0|3,0,0]=4 1403 B13R1.555 Nc1ccccc1OCC#CCO Amb27591516 [0,1,0,0,0,0|1,0,2]=4 1404 B13R1.555 O=C=NCCCc1ccccc1Cl Amb31094179 [0,1,0,0,0,0|1,0,2]=4 1405 B13R1.555 O=C=NCCCc1ccccc1F Amb31094177 [0,1,0,0,0,0|1,0,2]=4 1406 B13R1.555 O=CCCSCc1ccccc1Cl Amb32682687 [0,1,0,0,0,0|1,0,2]=4 1407 B13R1.555 OCCCC#Cc1ccccc1Cl Amb28345570 [0,1,0,0,0,0|0,0,2]=3 1408 B13R1.555 OCCCC#Cc1ccccc1O Amb28189861 [0,1,0,0,0,0|0,0,2]=3 1409 B13R1.555 OCCCCOc1ccccc1Cl Amb9370656 [0,1,0,0,0,0|1,0,0]=2 1410 B13R1.555 OCCCNCc1ccccc1Br Amb6733748 [0,1,0,0,0,0|1,0,0]=2 1411 B13R1.555 OCCCNCc1ccccc1Cl Amb22586768 [0,1,0,0,0,0|1,0,0]=2 1412 B13R1.555 OCCCNCc1ccccc1Cl Amb2722026 [0,1,0,0,0,0|1,0,0]=2 1413 B13R1.555 OCCCNCc1ccccc1F Amb4304115 [0,1,0,0,0,0|1,0,0]=2 1414 B13R1.555 OCCCNCc1ccccc1O Amb6733611 [0,1,0,0,0,0|1,0,0]=2 1415 B13R1.555 OCCNCCc1ccccc1Cl Amb17402328 [0,1,0,0,0,0|1,0,0]=2 1416 B13R1.555 OCCNCCc1ccccc1F Amb6710744 [0,1,0,0,0,0|1,0,0]=2 1417 B13R1.555 Oc1ccccc1OCCCCBr Amb23590650 [0,1,0,0,0,0|2,0,0]=3 1418 B13R1.718 BrCC(Br)COCc1ccccc1 Amb28348365 [0,1,0,0,0,0|2,0,0]=3 1419 B13R1.718 C#CC(C)CCOc1ccccc1 Amb33080517 [0,1,0,0,0,0|2,0,1]=4 1420 B13R1.718 C#CC(O)COCc1ccccc1 Amb27403444 [0,1,0,0,0,0|2,0,1]=4 1421 B13R1.718 C=C(CC)CNCc1ccccc1 Amb27951926 [0,1,0,0,0,0|2,0,1]=4 1422 B13R1.718 C=C(CO)COCc1ccccc1 Amb26653408 [0,1,0,0,0,0|1,0,1]=3 1423 B13R1.718 C=CC(N)COCc1ccccc1 Amb18127990 [0,1,0,0,0,0|2,0,1]=4 1424 B13R1.718 C=CC(O)CNCc1ccccc1 Amb8630538 [0,1,0,0,0,0|2,0,1]=4 1425 B13R1.718 C=C[C@H](O)COCc1ccccc1 Amb27396444 [0,1,0,0,0,0|2,0,1]=4 1426 B13R1.718 CC(C#N)CCOc1ccccc1 Amb24084781 [0,1,0,0,0,0|2,0,1]=4 1427 B13R1.718 CC(C#N)CNCc1ccccc1 Amb9024172 [0,1,0,0,0,0|2,0,1]=4 1428 B13R1.718 CC(C#N)COCc1ccccc1 Amb9028549 [0,1,0,0,0,0|2,0,1]=4 1429 B13R1.718 CC(C#N)NCCc1ccccc1 Amb17044875 [0,1,0,0,0,0|2,0,1]=4 1430 B13R1.718 CC(C=O)CNCc1ccccc1 Amb27748669 [0,1,0,0,0,0|1,0,2]=4 1431 B13R1.718 CC(C=O)COCc1ccccc1 Amb18128219 [0,1,0,0,0,0|1,0,2]=4 1432 B13R1.718 CC(CBr)COCc1ccccc1 Amb4476982 [0,1,0,0,0,0|2,0,0]=3 1433 B13R1.718 CC(CCl)COCc1ccccc1 Amb27144134 [0,1,0,0,0,0|2,0,0]=3 1434 B13R1.718 CC(CI)COCc1ccccc1 Amb26484903 [0,1,0,0,0,0|2,0,0]=3 1435 B13R1.718 CC(CN)CNCc1ccccc1 Amb18804833 [0,1,0,0,0,0|2,0,0]=3 1436 B13R1.718 CC(CN)COCc1ccccc1 Amb10610072 [0,1,0,0,0,0|2,0,0]=3 1437 B13R1.718 CC(CN)COCc1ccccc1 Amb9029100 [0,1,0,0,0,0|2,0,0]=3 1438 B13R1.718 CC(CN)NOCc1ccccc1 Amb27250279 [0,1,0,0,0,0|3,0,0]=4 1439 B13R1.718 CC(CO)CNCc1ccccc1 Amb10608716 [0,1,0,0,0,0|1,0,0]=2 1440 B13R1.718 CC(CO)CNCc1ccccc1 Amb17622503 [0,1,0,0,0,0|1,0,0]=2 1441 B13R1.718 CC(CO)NCCc1ccccc1 Amb9359843 [0,1,0,0,0,0|1,0,0]=2 1442 B13R1.718 CC(CO)OCCc1ccccc1 Amb28920670 [0,1,0,0,0,0|1,0,0]=2 1443 B13R1.718 CC(COCc1ccccc1)NN Amb27442775 [0,1,0,0,0,0|3,0,0]=4 1444 B13R1.718 CCC(=O)CNCc1ccccc1 Amb33131575 [0,1,0,0,0,0|2,0,1]=4 1445 B13R1.718 CCC(=O)COCc1ccccc1 Amb18186198 [0,1,0,0,0,0|2,0,1]=4 1446 B13R1.718 CCC(=O)CSCc1ccccc1 Amb4165971 [0,1,0,0,0,0|2,0,1]=4 1447 B13R1.718 CCC(=O)OCCc1ccccc1 Amb6357956 [0,1,0,0,0,0|2,0,1]=4 1448 B13R1.718 CCC(C)CNCc1ccccc1 Amb6719953 [0,1,0,0,0,0|2,0,0]=3 1449 B13R1.718 CCC(C)CNCc1cccnc1 Amb6729960 [0,1,0,0,0,0|3,0,0]=4 1450 B13R1.718 CCC(C)NCCc1ccccc1 Amb2119578 [0,1,0,0,0,0|2,0,0]=3 1451 B13R1.718 CCC(C)NCCc1ccccc1 Amb2612139 [0,1,0,0,0,0|2,0,0]=3 1452 B13R1.718 CCC(C)NCCc1ccccn1 Amb6694509 [0,1,0,0,0,0|3,0,0]=4 1453 B13R1.718 CCC(C)SCCc1ccncc1 Amb4414917 [0,1,0,0,0,0|3,0,0]=4 1454 B13R1.718 CCC(Cl)CNCc1ccccc1 Amb27407069 [0,1,0,0,0,0|2,0,0]=3 1455 B13R1.718 CCC(N)CCSc1ccccc1 Amb13881553 [0,1,0,0,0,0|2,0,0]=3 1456 B13R1.718 CCC(N)CNCc1ccccc1 Amb18796071 [0,1,0,0,0,0|2,0,0]=3 1457 B13R1.718 CCC(N)COCc1ccccc1 Amb18809231 [0,1,0,0,0,0|2,0,0]=3 1458 B13R1.718 CCC(O)CNCc1ccccc1 Amb8630542 [0,1,0,0,0,0|2,0,0]=3 1459 B13R1.718 CCC(O)COCc1ccccc1 Amb18186601 [0,1,0,0,0,0|2,0,0]=3 1460 B13R1.718 CCC([NH3+])COCc1ccccc1 Amb33513150 [0,1,0,0,0,0|2,0,0]=3 1461 B13R1.718 CC[C@@H](N)COCc1ccccc1 Amb6336619 [0,1,0,0,0,0|2,0,0]=3 1462 B13R1.718 CC[C@@H](O)CNCc1ccccc1 Amb10067150 [0,1,0,0,0,0|2,0,0]=3 1463 B13R1.718 CC[C@@H](O)COCc1ccccc1 Amb22225151 [0,1,0,0,0,0|2,0,0]=3 1464 B13R1.718 CC[C@H](O)CNCc1ccccc1 Amb8630594 [0,1,0,0,0,0|2,0,0]=3 1465 B13R1.718 CNC(=O)CCCc1ccccc1 Amb3886751 [0,1,0,0,0,0|2,0,1]=4 1466 B13R1.718 CNC(C)CNCc1ccccc1 Amb18184455 [0,1,0,0,0,0|3,0,0]=4 1467 B13R1.718 COC(=O)CCCc1ccccc1 Amb2720838 [0,1,0,0,0,0|2,0,1]=4 1468 B13R1.718 COC(C)CNCc1ccccc1 Amb23570905 [0,1,0,0,0,0|3,0,0]=4 1469 B13R1.718 C[C@@H](CCl)COCc1ccccc1 Amb27776747 [0,1,0,0,0,0|2,0,0]=3 1470 B13R1.718 C[C@@H](CO)COCc1ccccc1 Amb25760795 [0,1,0,0,0,0|1,0,0]=2 1471 B13R1.718 C[C@H](CO)CNCc1ccccc1 Amb27426885 [0,1,0,0,0,0|1,0,0]=2 1472 B13R1.718 C[C@H](CO)COCc1ccccc1 Amb25291124 [0,1,0,0,0,0|1,0,0]=2 1473 B13R1.718 N#CC(F)CNCc1ccccc1 Amb27608618 [0,1,0,0,0,0|2,0,1]=4 1474 B13R1.718 N#CC(N)CCOc1ccccc1 Amb17076685 [0,1,0,0,0,0|2,0,1]=4 1475 B13R1.718 N#CC(N)COCc1ccccc1 Amb17609144 [0,1,0,0,0,0|2,0,1]=4 1476 B13R1.718 N#C[C@@H](O)COCc1ccccc1 Amb27763830 [0,1,0,0,0,0|2,0,1]=4 1477 B13R1.718 NC(CO)COCc1ccccc1 Amb27159476 [0,1,0,0,0,0|1,0,0]=2 1478 B13R1.718 NC(CO)C\C=C\c1ccccc1 Amb33081461 [0,1,0,0,0,0|0,0,2]=3 1479 B13R1.718 NCC(=O)CCCc1ccccc1 Amb33129308 [0,1,0,0,0,0|1,0,1]=3 1480 B13R1.718 NCC(=O)NCCc1ccccc1 Amb13951619 [0,1,0,0,0,0|2,0,1]=4 1481 B13R1.718 NCC(=O)NCCc1ccccc1 Amb5783058 [0,1,0,0,0,0|2,0,1]=4 1482 B13R1.718 NCC(N)COCc1ccccc1 Amb28385722 [0,1,0,0,0,0|2,0,0]=3 1483 B13R1.718 NCC(O)CCCc1ccccc1 Amb18564101 [0,1,0,0,0,0|1,0,0]=2 1484 B13R1.718 NCC(O)CNCc1ccccc1 Amb32412159 [0,1,0,0,0,0|2,0,0]=3 1485 B13R1.718 NCC(O)COCc1ccccc1 Amb9708924 [0,1,0,0,0,0|2,0,0]=3 1486 B13R1.718 NCC(O)C\C=C\c1ccccc1 Amb33081075 [0,1,0,0,0,0|1,0,2]=4 1487 B13R1.718 NC[C@@H](O)COCc1ccccc1 Amb27657571 [0,1,0,0,0,0|2,0,0]=3 1488 B13R1.718 NNC(=O)CCCc1ccccc1 Amb9206279 [0,1,0,0,0,0|2,0,1]=4 1489 B13R1.718 N[C@@H](CO)COCc1ccccc1 Amb16184040 [0,1,0,0,0,0|1,0,0]=2 1490 B13R1.718 N[C@@H](CO)COCc1ccccc1 Amb22735904 [0,1,0,0,0,0|1,0,0]=2 1491 B13R1.718 N[C@H](CO)COCc1ccccc1 Amb22735905 [0,1,0,0,0,0|1,0,0]=2 1492 B13R1.718 N[C@H](CO)COCc1ccccc1 Amb3939369 [0,1,0,0,0,0|1,0,0]=2 1493 B13R1.718 N[C@H](CO)CSCc1ccccc1 Amb3939368 [0,1,0,0,0,0|1,0,0]=2 1494 B13R1.718 N\C(=N/O)NCCc1ccccc1 Amb18809201 [0,1,0,0,0,0|2,0,1]=4 1495 B13R1.718 N\C(CCCc1ccccc1)=N/O Amb9714178 [0,1,0,0,0,0|1,0,1]=3 1496 B13R1.718 N\C(CCCc1ccccc1)=N\O Amb22551827 [0,1,0,0,0,0|1,0,1]=3 1497 B13R1.718 N\C(CCNc1ccccc1)=N/O Amb6334238 [0,1,0,0,0,0|2,0,1]=4 1498 B13R1.718 N\C(CCOc1ccccc1)=N/O Amb1116542 [0,1,0,0,0,0|2,0,1]=4 1499 B13R1.718 N\C(CNCc1ccccc1)=N\O Amb27444065 [0,1,0,0,0,0|2,0,1]=4 1500 B13R1.718 N\C(COCc1ccccc1)=N/O Amb6261094 [0,1,0,0,0,0|2,0,1]=4 1501 B13R1.718 O=C(CBr)NCCc1ccccc1 Amb2089064 [0,1,0,0,0,0|2,0,1]=4 1502 B13R1.718 O=C(CCCc1ccccc1)NO Amb9206288 [0,1,0,0,0,0|1,0,1]=3 1503 B13R1.718 O=C(CCCc1ccccc1)O[Na] Amb8393622 [0,1,0,0,0,0|2,0,1]=4 1504 B13R1.718 O=C(CCOc1ccccc1)NO Amb6279077 [0,1,0,0,0,0|2,0,1]=4 1505 B13R1.718 O=C(CCl)CCCc1ccccc1 Amb22395307 [0,1,0,0,0,0|1,0,1]=3 1506 B13R1.718 O=C(CCl)NCCc1ccccc1 Amb6315505 [0,1,0,0,0,0|2,0,1]=4 1507 B13R1.718 O=C(CI)NCCc1ccccc1 Amb32455597 [0,1,0,0,0,0|2,0,1]=4 1508 B13R1.718 O=C(CNCc1ccccc1)NO Amb27647939 [0,1,0,0,0,0|2,0,1]=4 1509 B13R1.718 O=C(CO)CCCc1ccccc1 Amb33129305 [0,1,0,0,0,0|0,0,1]=2 1510 B13R1.718 O=C(CO)NCCc1ccccc1 Amb1111400 [0,1,0,0,0,0|1,0,1]=3 1511 B13R1.718 O=CC(F)COCc1ccccc1 Amb28144110 [0,1,0,0,0,0|1,0,2]=4 1512 B13R1.718 O=C[C@H](F)COCc1ccccc1 Amb27782446 [0,1,0,0,0,0|1,0,2]=4 1513 B13R1.718 OC(CCl)CNCc1ccccc1 Amb10560046 [0,1,0,0,0,0|2,0,0]=3 1514 B13R1.718 OC(CCl)COCc1ccccc1 Amb9786144 [0,1,0,0,0,0|2,0,0]=3 1515 B13R1.718 OC(CF)CNCc1ccccc1 Amb28202451 [0,1,0,0,0,0|2,0,0]=3 1516 B13R1.718 OC(CI)COCc1ccccc1 Amb27830365 [0,1,0,0,0,0|2,0,0]=3 1517 B13R1.718 OC(CS)COCc1ccccc1 Amb27978224 [0,1,0,0,0,0|1,1,0]=3 1518 B13R1.718 OCC(O)CCCc1ccccc1 Amb33129313 [0,1,0,0,0,0|0,0,0]=1 1519 B13R1.718 OCC(O)CNCc1ccccc1 Amb17308724 [0,1,0,0,0,0|1,0,0]=2 1520 B13R1.718 OCC(O)COCc1ccccc1 Amb6297267 [0,1,0,0,0,0|1,0,0]=2 1521 B13R1.718 OCC(O)\C=N\Nc1ccccc1 Amb28281931 [0,1,0,0,0,0|2,0,1]=4 1522 B13R1.718 OC[C@@H](F)COCc1ccccc1 Amb27981951 [0,1,0,0,0,0|1,0,0]=2 1523 B13R1.718 OC[C@@H](O)COCc1ccccc1 Amb17772347 [0,1,0,0,0,0|1,0,0]=2 1524 B13R1.718 OC[C@H](O)CNCc1ccccn1 Amb33041823 [0,1,0,0,0,0|2,0,0]=3 1525 B13R1.718 OC[C@H](O)CNCc1cccnc1 Amb33041825 [0,1,0,0,0,0|2,0,0]=3 1526 B13R1.718 OC[C@H](O)CNCc1ccncc1 Amb33041852 [0,1,0,0,0,0|2,0,0]=3 1527 B13R1.718 OC[C@H](O)COCc1ccccc1 Amb6357144 [0,1,0,0,0,0|1,0,0]=2 1528 B13R1.718 O[C@@H](CCl)CNCc1ccccc1 Amb25279513 [0,1,0,0,0,0|2,0,0]=3 1529 B13R1.718 O[C@@H](CF)COCc1ccccc1 Amb28065148 [0,1,0,0,0,0|2,0,0]=3 1530 B13R1.718 O[C@H](CCl)CNCc1ccccc1 Amb27392239 [0,1,0,0,0,0|2,0,0]=3 1531 B13R1.718 O[C@H](CF)COCc1ccccc1 Amb27443598 [0,1,0,0,0,0|2,0,0]=3 1532 B13R1.718 O[C@H](CS)COCc1ccccc1 Amb27836017 [0,1,0,0,0,0|1,1,0]=3 1533 B13R1.718 [C-]#[N+]C(C)CCOc1ccccc1 Amb33080524 [0,1,0,0,0,0|3,0,0]=4 1534 B13R2.1 BrCCC1=CCc2ccccc21 Amb27808546 [0,0,0,1,0,0|1,0,2]=4 1535 B13R2.1 BrCCC1CCc2ccccc21 Amb25175768 [0,0,0,1,0,0|1,0,0]=2 1536 B13R2.1 BrCCN1CCc2ccccc21 Amb26491351 [0,0,0,1,0,0|2,0,0]=3 1537 B13R2.1 BrCCN1CCc2ccccc21 Amb32660996 [0,0,0,1,0,0|2,0,0]=3 1538 B13R2.1 C#CCC1CCc2ccccc21 Amb33145116 [0,0,0,1,0,0|1,0,1]=3 1539 B13R2.1 C#CCC1NCc2ccccc21 Amb27235672 [0,0,0,1,0,0|2,0,1]=4 1540 B13R2.1 C#CCN1CCc2ccccc21 Amb18183182 [0,0,0,1,0,0|2,0,1]=4 1541 B13R2.1 C=CCC1NCc2ccccc21 Amb27656928 [0,0,0,1,0,0|2,0,1]=4 1542 B13R2.1 CCCC1CNc2ccccc21 Amb25882717 [0,0,0,1,0,0|2,0,0]=3 1543 B13R2.1 CCCN1CCc2ccccc21 Amb4036579 [0,0,0,1,0,0|2,0,0]=3 1544 B13R2.1 CCCN1CCc2ncccc21 Amb28382053 [0,0,0,1,0,0|3,0,0]=4 1545 B13R2.1 CCNC1CCc2ccccc21 Amb10610131 [0,0,0,1,0,0|2,0,0]=3 1546 B13R2.1 CCNC1CCc2ccccc21 Amb9722140 [0,0,0,1,0,0|2,0,0]=3 1547 B13R2.1 CCNC1CNc2ccccc21 Amb27642737 [0,0,0,1,0,0|3,0,0]=4 1548 B13R2.1 CCSC1CCc2ccccc21 Amb27220071 [0,0,0,1,0,0|2,0,0]=3 1549 B13R2.1 CNCC1CCc2ccccc21 Amb17470428 [0,0,0,1,0,0|2,0,0]=3 1550 B13R2.1 CNCC1CNc2ccccc21 Amb27864740 [0,0,0,1,0,0|3,0,0]=4 1551 B13R2.1 CNCC1COc2ccccc21 Amb23586279 [0,0,0,1,0,0|3,0,0]=4 1552 B13R2.1 CNCC1OCc2ccccc21 Amb34915058 [0,0,0,1,0,0|3,0,0]=4 1553 B13R2.1 COCC1CSc2ccccc21 Amb27410794 [0,0,0,1,0,0|3,0,0]=4 1554 B13R2.1 COCC1NCc2ccccc21 Amb27457641 [0,0,0,1,0,0|3,0,0]=4 1555 B13R2.1 CONC1CCc2ccccc21 Amb27470590 [0,0,0,1,0,0|3,0,0]=4 1556 B13R2.1 ClCCC1CCc2cccnc21 Amb27470431 [0,0,0,1,0,0|2,0,0]=3 1557 B13R2.1 ClCCN1CCc2ccccc21 Amb17335519 [0,0,0,1,0,0|2,0,0]=3 1558 B13R2.1 ClCCN1CCc2ccccc21 Amb32409812 [0,0,0,1,0,0|2,0,0]=3 1559 B13R2.1 FCCN1CCc2ccccc21 Amb27262436 [0,0,0,1,0,0|2,0,0]=3 1560 B13R2.1 ICCC1CNc2ccccc21 Amb27463520 [0,0,0,1,0,0|2,0,0]=3 1561 B13R2.1 N#CCC1CCc2ccccc21 Amb18644935 [0,0,0,1,0,0|1,0,1]=3 1562 B13R2.1 N#CCC1CNc2ccccc21 Amb18063500 [0,0,0,1,0,0|2,0,1]=4 1563 B13R2.1 N#CCC1COc2ccccc21 Amb26370957 [0,0,0,1,0,0|2,0,1]=4 1564 B13R2.1 N#CCN1CCc2ccccc21 Amb6663927 [0,0,0,1,0,0|2,0,1]=4 1565 B13R2.1 N#CNC1CCc2ccccc21 Amb18799946 [0,0,0,1,0,0|2,0,1]=4 1566 B13R2.1 NCCC1=CCc2ccccc21 Amb19149344 [0,0,0,1,0,0|1,0,2]=4 1567 B13R2.1 NCCC1=CCc2ccccc21 Amb21811903 [0,0,0,1,0,0|1,0,2]=4 1568 B13R2.1 NCCC1C=Cc2ccccc21 Amb18199855 [0,0,0,1,0,0|1,0,2]=4 1569 B13R2.1 NCCC1CCc2ccccc21 Amb17232390 [0,0,0,1,0,0|1,0,0]=2 1570 B13R2.1 NCCC1CCc2ccncc21 Amb28135020 [0,0,0,1,0,0|2,0,0]=3 1571 B13R2.1 NCCC1CCc2cnccc21 Amb27487360 [0,0,0,1,0,0|2,0,0]=3 1572 B13R2.1 NCCC1CNc2ccccc21 Amb18560682 [0,0,0,1,0,0|2,0,0]=3 1573 B13R2.1 NCCC1COc2ccccc21 Amb18829250 [0,0,0,1,0,0|2,0,0]=3 1574 B13R2.1 NCCC1CSc2ccccc21 Amb18194201 [0,0,0,1,0,0|2,0,0]=3 1575 B13R2.1 NCCC1OCc2ccccc21 Amb18829221 [0,0,0,1,0,0|2,0,0]=3 1576 B13R2.1 NCCN1CCc2ccccc21 Amb1136098 [0,0,0,1,0,0|2,0,0]=3 1577 B13R2.1 NCCN1CCc2ccccc21 Amb13948987 [0,0,0,1,0,0|2,0,0]=3 1578 B13R2.1 NCCN1CCc2ccccc21 Amb33549124 [0,0,0,1,0,0|2,0,0]=3 1579 B13R2.1 NCCN1CCc2ccccc21 Amb5794353 [0,0,0,1,0,0|2,0,0]=3 1580 B13R2.1 NCCN1CCc2ccccc21 Amb8428137 [0,0,0,1,0,0|2,0,0]=3 1581 B13R2.1 NC\C=C1/CCc2ccccc21 Amb27482953 [0,0,0,1,0,0|1,0,2]=4 1582 B13R2.1 NNCC1CCc2ccccc21 Amb26474283 [0,0,0,1,0,0|2,0,0]=3 1583 B13R2.1 NOCC1CCc2ccccc21 Amb33145741 [0,0,0,1,0,0|2,0,0]=3 1584 B13R2.1 NOCC1COc2ccccc21 Amb27759143 [0,0,0,1,0,0|3,0,0]=4 1585 B13R2.1 O=C=NC1CCc2ccccc21 Amb27635843 [0,0,0,1,0,0|1,0,2]=4 1586 B13R2.1 O=C=N[C@H]1CCc2ccccc21 Amb10807458 [0,0,0,1,0,0|1,0,2]=4 1587 B13R2.1 O=CCC1CCc2ccccc21 Amb26865434 [0,0,0,1,0,0|0,0,2]=3 1588 B13R2.1 O=CN[C@@H]1CCc2ccccc21 Amb27478053 [0,0,0,1,0,0|1,0,2]=4 1589 B13R2.1 OCCC1CCc2ccccc21 Amb10605019 [0,0,0,1,0,0|0,0,0]=1 1590 B13R2.1 OCCC1CCc2cccnc21 Amb25868799 [0,0,0,1,0,0|1,0,0]=2 1591 B13R2.1 OCCC1CNc2ccccc21 Amb9776213 [0,0,0,1,0,0|1,0,0]=2 1592 B13R2.1 OCCC1NCc2ccccc21 Amb33212838 [0,0,0,1,0,0|1,0,0]=2 1593 B13R2.1 OCCN1CCc2ccccc21 Amb9370182 [0,0,0,1,0,0|1,0,0]=2 1594 B13R2.1 OCCN1CCc2ncccc21 Amb28063408 [0,0,0,1,0,0|2,0,0]=3 1595 B13R2.1 OCC[C@@H]1CNc2ccccc21 Amb28255652 [0,0,0,1,0,0|1,0,0]=2 1596 B13R2.1 OCC[C@H]1CNc2ccccc21 Amb28137928 [0,0,0,1,0,0|1,0,0]=2 1597 B13R2.1 OCCc1coc2ccccc12 Amb2723680 [0,0,0,1,0,0|1,0,2]=4 1598 B13R2.1 OCCc1csc2ccccc12 Amb24066376 [0,0,0,1,0,0|1,0,2]=4 1599 B13R2.1 OCCc1noc2ccccc12 Amb17108006 [0,0,0,1,0,0|2,0,1]=4 1600 B13R2.1 OCCc1nsc2ccccc12 Amb26932497 [0,0,0,1,0,0|2,0,1]=4 1601 B13R2.1 OCCn1ccc2ccccc21 Amb17480906 [0,0,0,1,0,0|1,0,2]=4 1602 B13R2.1 OCCn1cnc2ccccc21 Amb4443505 [0,0,0,1,0,0|2,0,1]=4 1603 B13R2.1 OCCn1ncc2ccccc21 Amb18792418 [0,0,0,1,0,0|2,0,1]=4 1604 B13R2.1 OCCn1nnc2ccccc21 Amb3432740 [0,0,0,1,0,0|3,0,0]=4 1605 B13R2.1 ONCC1CCc2ccccc21 Amb33146411 [0,0,0,1,0,0|1,0,0]=2 1606 B13R2.1 S=C=NC1CCc2ccccc21 Amb26398766 [0,0,0,1,0,0|1,1,1]=4 1607 B13R2.1 S=C=N[C@@H]1CCc2ccccc21 Amb6357837 [0,0,0,1,0,0|1,1,1]=4 1608 B13R2.1 S=C=N[C@H]1CCc2ccccc21 Amb22045284 [0,0,0,1,0,0|1,1,1]=4 1609 B13R2.1 SCCC1CCc2ccccc21 Amb33144216 [0,0,0,1,0,0|0,1,0]=2 1610 B13R2.1 [C-]#[N+]CC1CCc2ccccc21 Amb33145755 [0,0,0,1,0,0|2,0,0]=3 1611 B13R2.1 [N-]=[N+]=NC1CCc2ccccc21 Amb27445075 [0,0,0,1,0,0|3,0,0]=4 1612 B13R2.3 C1=C(c2ccccc2)CCCC1 Amb8513291 [0,0,0,1,0,0|1,0,1]=3 1613 B13R2.3 C1=C(c2ccccc2)CCNC1 Amb1153094 [0,0,0,1,0,0|2,0,1]=4 1614 B13R2.3 C1=C(c2ccccc2)CCNC1 Amb535503 [0,0,0,1,0,0|2,0,1]=4 1615 B13R2.3 C1=C(c2ccccc2)CCOC1 Amb21960770 [0,0,0,1,0,0|2,0,1]=4 1616 B13R2.3 C1=C(c2ccccc2)CNCC1 Amb18645223 [0,0,0,1,0,0|2,0,1]=4 1617 B13R2.3 C1=C(c2ccccc2)CNCC1 Amb28600223 [0,0,0,1,0,0|2,0,1]=4 1618 B13R2.3 C1=C(c2ccccn2)CCCC1 Amb10573565 [0,0,0,1,0,0|2,0,1]=4 1619 B13R2.3 C1=C(c2cccnc2)CCCC1 Amb27615559 [0,0,0,1,0,0|2,0,1]=4 1620 B13R2.3 C1=C(c2ccncc2)CCCC1 Amb33077485 [0,0,0,1,0,0|2,0,1]=4 1621 B13R2.3 C1=CC(c2ccccc2)CCC1 Amb4035356 [0,0,0,1,0,0|1,0,1]=3 1622 B13R2.3 C1=CC(c2ccccc2)CC[NH2+]1 Amb24080270 [0,0,0,1,0,0|2,0,1]=4 1623 B13R2.3 C1=CC(c2ccccc2)NCC1 Amb28119182 [0,0,0,1,0,0|1,0,2]=4 1624 B13R2.3 C1=CC(c2ccccn2)CCC1 Amb13890742 [0,0,0,1,0,0|2,0,1]=4 1625 B13R2.3 C1=CC(c2cccnc2)CCC1 Amb13890748 [0,0,0,1,0,0|2,0,1]=4 1626 B13R2.3 C1=COC(c2ccccc2)CC1 Amb26038784 [0,0,0,1,0,0|0,0,2]=3 1627 B13R2.3 c1cc(B2OCCCO2)ccn1 Amb9780907 [0,0,0,1,0,0|3,0,0]=4 1628 B13R2.3 c1cc(C2CCCCC2)ccn1 Amb2694597 [0,0,0,1,0,0|2,0,0]=3 1629 B13R2.3 c1cc(C2CCCCC2)ccn1 Amb32653426 [0,0,0,1,0,0|2,0,0]=3 1630 B13R2.3 c1cc(C2CCCCC2)ncn1 Amb28400118 [0,0,0,1,0,0|3,0,0]=4 1631 B13R2.3 c1cc(C2CCCCN2)ccn1 Amb17659185 [0,0,0,1,0,0|2,0,0]=3 1632 B13R2.3 c1cc(C2CCCCN2)cnn1 Amb27244872 [0,0,0,1,0,0|3,0,0]=4 1633 B13R2.3 c1cc(C2CCCCN2)ncn1 Amb18946153 [0,0,0,1,0,0|3,0,0]=4 1634 B13R2.3 c1cc(C2CCCNC2)ccn1 Amb17400120 [0,0,0,1,0,0|3,0,0]=4 1635 B13R2.3 c1cc(C2CCCNC2)ccn1 Amb22899069 [0,0,0,1,0,0|3,0,0]=4 1636 B13R2.3 c1cc(C2CCCOC2)ccn1 Amb24320761 [0,0,0,1,0,0|3,0,0]=4 1637 B13R2.3 c1cc(C2CCNCC2)ccn1 Amb33533010 [0,0,0,1,0,0|3,0,0]=4 1638 B13R2.3 c1cc(C2CCNCC2)ccn1 Amb8503276 [0,0,0,1,0,0|3,0,0]=4 1639 B13R2.3 c1cc(C2CNCCN2)ccn1 Amb24319003 [0,0,0,1,0,0|3,0,0]=4 1640 B13R2.3 c1cc(C2CNCCN2)ccn1 Amb32652099 [0,0,0,1,0,0|3,0,0]=4 1641 B13R2.3 c1cc(C2CNCCO2)ccn1 Amb17063308 [0,0,0,1,0,0|2,0,0]=3 1642 B13R2.3 c1cc(C2CNCCO2)ccn1 Amb22034687 [0,0,0,1,0,0|2,0,0]=3 1643 B13R2.3 c1cc(C2CNCCO2)ncn1 Amb20062272 [0,0,0,1,0,0|3,0,0]=4 1644 B13R2.3 c1cc(C2CNCCS2)ccn1 Amb18824330 [0,0,0,1,0,0|2,1,0]=4 1645 B13R2.3 c1cc(C2COCCN2)ccn1 Amb18563619 [0,0,0,1,0,0|3,0,0]=4 1646 B13R2.3 c1cc(C2NCCCO2)ccn1 Amb17334614 [0,0,0,1,0,0|2,0,0]=3 1647 B13R2.3 c1cc(C2OCCCO2)ccn1 Amb17334630 [0,0,0,1,0,0|2,0,0]=3 1648 B13R2.3 c1cc(N2CCCCC2)ccn1 Amb2609977 [0,0,0,1,0,0|3,0,0]=4 1649 B13R2.3 c1cc([C@H]2CCCCN2)ccn1 Amb27978711 [0,0,0,1,0,0|2,0,0]=3 1650 B13R2.3 c1cc([C@H]2CNCCN2)ccn1 Amb27873955 [0,0,0,1,0,0|3,0,0]=4 1651 B13R2.3 c1cc([C@H]2COCCN2)ccn1 Amb25324236 [0,0,0,1,0,0|3,0,0]=4 1652 B13R2.3 c1ccc(B2OCCCO2)cc1 Amb3939182 [0,0,0,1,0,0|2,0,0]=3 1653 B13R2.3 c1ccc(C2=NCCCN2)cc1 Amb423875 [0,0,0,1,0,0|2,0,1]=4 1654 B13R2.3 c1ccc(C2=NNCCO2)cc1 Amb27808595 [0,0,0,1,0,0|2,0,1]=4 1655 B13R2.3 c1ccc(C2=[S+]CCCS2)cc1 Amb28294166 [0,0,0,1,0,0|1,1,1]=4 1656 B13R2.3 c1ccc(C2CCCCC2)cc1 Amb6357376 [0,0,0,1,0,0|1,0,0]=2 1657 B13R2.3 c1ccc(C2CCCCC2)nc1 Amb23589742 [0,0,0,1,0,0|2,0,0]=3 1658 B13R2.3 c1ccc(C2CCCCN2)cc1 Amb10068914 [0,0,0,1,0,0|1,0,0]=2 1659 B13R2.3 c1ccc(C2CCCCN2)cc1 Amb9725835 [0,0,0,1,0,0|1,0,0]=2 1660 B13R2.3 c1ccc(C2CCCCN2)nc1 Amb2234698 [0,0,0,1,0,0|2,0,0]=3 1661 B13R2.3 c1ccc(C2CCCCN2)nc1 Amb2237208 [0,0,0,1,0,0|2,0,0]=3 1662 B13R2.3 c1ccc(C2CCCCS2)nc1 Amb28244289 [0,0,0,1,0,0|1,1,0]=3 1663 B13R2.3 c1ccc(C2CCCNC2)cc1 Amb1995213 [0,0,0,1,0,0|2,0,0]=3 1664 B13R2.3 c1ccc(C2CCCNC2)cc1 Amb2236473 [0,0,0,1,0,0|2,0,0]=3 1665 B13R2.3 c1ccc(C2CCCNC2)nc1 Amb21960404 [0,0,0,1,0,0|3,0,0]=4 1666 B13R2.3 c1ccc(C2CCCNC2)nc1 Amb8009677 [0,0,0,1,0,0|3,0,0]=4 1667 B13R2.3 c1ccc(C2CCNCC2)cc1 Amb1019521 [0,0,0,1,0,0|2,0,0]=3 1668 B13R2.3 c1ccc(C2CCNCC2)cc1 Amb2099643 [0,0,0,1,0,0|2,0,0]=3 1669 B13R2.3 c1ccc(C2CCNCC2)nc1 Amb15695238 [0,0,0,1,0,0|3,0,0]=4 1670 B13R2.3 c1ccc(C2CCNCC2)nc1 Amb21857657 [0,0,0,1,0,0|3,0,0]=4 1671 B13R2.3 c1ccc(C2CCNCC2)nc1 Amb33533009 [0,0,0,1,0,0|3,0,0]=4 1672 B13R2.3 c1ccc(C2CCNCO2)cc1 Amb26517864 [0,0,0,1,0,0|1,0,0]=2 1673 B13R2.3 c1ccc(C2CCOCC2)cc1 Amb21856446 [0,0,0,1,0,0|2,0,0]=3 1674 B13R2.3 c1ccc(C2CCOCC2)nc1 Amb10573557 [0,0,0,1,0,0|3,0,0]=4 1675 B13R2.3 c1ccc(C2CCOCN2)cc1 Amb32751745 [0,0,0,1,0,0|2,0,0]=3 1676 B13R2.3 c1ccc(C2CCOCO2)cc1 Amb6357160 [0,0,0,1,0,0|1,0,0]=2 1677 B13R2.3 c1ccc(C2CNCCN2)cc1 Amb10068867 [0,0,0,1,0,0|2,0,0]=3 1678 B13R2.3 c1ccc(C2CNCCN2)cc1 Amb2690307 [0,0,0,1,0,0|2,0,0]=3 1679 B13R2.3 c1ccc(C2CNCCN2)cc1 Amb32663253 [0,0,0,1,0,0|2,0,0]=3 1680 B13R2.3 c1ccc(C2CNCCN2)nc1 Amb24319001 [0,0,0,1,0,0|3,0,0]=4 1681 B13R2.3 c1ccc(C2CNCCO2)cc1 Amb1782012 [0,0,0,1,0,0|1,0,0]=2 1682 B13R2.3 c1ccc(C2CNCCO2)cc1 Amb7085744 [0,0,0,1,0,0|1,0,0]=2 1683 B13R2.3 c1ccc(C2CNCCO2)nc1 Amb17063307 [0,0,0,1,0,0|2,0,0]=3 1684 B13R2.3 c1ccc(C2CNCCO2)nc1 Amb22034685 [0,0,0,1,0,0|2,0,0]=3 1685 B13R2.3 c1ccc(C2CNCCS2)cc1 Amb10068810 [0,0,0,1,0,0|1,1,0]=3 1686 B13R2.3 c1ccc(C2CNCCS2)cc1 Amb3940988 [0,0,0,1,0,0|1,1,0]=3 1687 B13R2.3 c1ccc(C2COCCN2)cc1 Amb10068848 [0,0,0,1,0,0|2,0,0]=3 1688 B13R2.3 c1ccc(C2COCCN2)cc1 Amb18528726 [0,0,0,1,0,0|2,0,0]=3 1689 B13R2.3 c1ccc(C2COCCN2)cc1 Amb5750999 [0,0,0,1,0,0|2,0,0]=3 1690 B13R2.3 c1ccc(C2COCCN2)nc1 Amb18563618 [0,0,0,1,0,0|3,0,0]=4 1691 B13R2.3 c1ccc(C2CSCCN2)cc1 Amb3940996 [0,0,0,1,0,0|2,0,0]=3 1692 B13R2.3 c1ccc(C2CSCC[NH2+]2)cc1 Amb33513153 [0,0,0,1,0,0|2,0,0]=3 1693 B13R2.3 c1ccc(C2NCCCN2)cc1 Amb27229973 [0,0,0,1,0,0|2,0,0]=3 1694 B13R2.3 c1ccc(C2NCCCO2)cc1 Amb17334580 [0,0,0,1,0,0|1,0,0]=2 1695 B13R2.3 c1ccc(C2NCCCO2)cc1 Amb22901047 [0,0,0,1,0,0|1,0,0]=2 1696 B13R2.3 c1ccc(C2NCCCO2)nc1 Amb17334610 [0,0,0,1,0,0|2,0,0]=3 1697 B13R2.3 c1ccc(C2NCCCS2)nc1 Amb27779058 [0,0,0,1,0,0|2,1,0]=4 1698 B13R2.3 c1ccc(C2OCCCO2)cc1 Amb9787462 [0,0,0,1,0,0|1,0,0]=2 1699 B13R2.3 c1ccc(C2OCCCO2)nc1 Amb17334628 [0,0,0,1,0,0|2,0,0]=3 1700 B13R2.3 c1ccc(C2OCCCS2)cc1 Amb26967490 [0,0,0,1,0,0|1,0,0]=2 1701 B13R2.3 c1ccc(C2OCCCS2)nc1 Amb27389385 [0,0,0,1,0,0|2,0,0]=3 1702 B13R2.3 c1ccc(C2SCCCS2)cc1 Amb4017359 [0,0,0,1,0,0|1,1,0]=3 1703 B13R2.3 c1ccc(N2CCCCC2)cc1 Amb8391955 [0,0,0,1,0,0|2,0,0]=3 1704 B13R2.3 c1ccc(N2CCCCC2)nc1 Amb2610103 [0,0,0,1,0,0|3,0,0]=4 1705 B13R2.3 c1ccc(N2CCCCN2)nc1 Amb28073404 [0,0,0,1,0,0|3,0,0]=4 1706 B13R2.3 c1ccc(N2CCNCC2)cc1 Amb2583391 [0,0,0,1,0,0|3,0,0]=4 1707 B13R2.3 c1ccc(N2CCNCC2)cc1 Amb2720123 [0,0,0,1,0,0|3,0,0]=4 1708 B13R2.3 c1ccc(N2CCNCC2)cc1 Amb32405391 [0,0,0,1,0,0|3,0,0]=4 1709 B13R2.3 c1ccc(N2CCOCC2)cc1 Amb1019547 [0,0,0,1,0,0|3,0,0]=4 1710 B13R2.3 c1ccc(N2CCSCC2)cc1 Amb23534640 [0,0,0,1,0,0|3,0,0]=4 1711 B13R2.3 c1ccc(N2CC[NH2+]CC2)cc1 Amb4004979 [0,0,0,1,0,0|3,0,0]=4 1712 B13R2.3 c1ccc(N2OCCCO2)cc1 Amb2612718 [0,0,0,1,0,0|2,0,0]=3 1713 B13R2.3 c1ccc(P2CCCCC2)cc1 Amb25940581 [0,0,0,1,0,0|2,0,0]=3 1714 B13R2.3 c1ccc([C@@H]2CCCCN2)cc1 Amb24471915 [0,0,0,1,0,0|1,0,0]=2 1715 B13R2.3 c1ccc([C@@H]2CCCCN2)cc1 Amb33871590 [0,0,0,1,0,0|1,0,0]=2 1716 B13R2.3 c1ccc([C@@H]2CCCCN2)nc1 Amb27817769 [0,0,0,1,0,0|2,0,0]=3 1717 B13R2.3 c1ccc([C@@H]2CCCCN2)nc1 Amb33872076 [0,0,0,1,0,0|2,0,0]=3 1718 B13R2.3 c1ccc([C@@H]2CCCNC2)cc1 Amb19888364 [0,0,0,1,0,0|2,0,0]=3 1719 B13R2.3 c1ccc([C@@H]2CCCNC2)nc1 Amb27401883 [0,0,0,1,0,0|3,0,0]=4 1720 B13R2.3 c1ccc([C@@H]2CCOCO2)cc1 Amb22226715 [0,0,0,1,0,0|1,0,0]=2 1721 B13R2.3 c1ccc([C@@H]2CNCCN2)cc1 Amb28119934 [0,0,0,1,0,0|2,0,0]=3 1722 B13R2.3 c1ccc([C@@H]2CNCCO2)cc1 Amb19889425 [0,0,0,1,0,0|1,0,0]=2 1723 B13R2.3 c1ccc([C@@H]2CNCCO2)cc1 Amb22899094 [0,0,0,1,0,0|1,0,0]=2 1724 B13R2.3 c1ccc([C@@H]2CNCCO2)nc1 Amb28060528 [0,0,0,1,0,0|2,0,0]=3 1725 B13R2.3 c1ccc([C@@H]2COCCN2)cc1 Amb20242902 [0,0,0,1,0,0|2,0,0]=3 1726 B13R2.3 c1ccc([C@@H]2COCCN2)cc1 Amb22274558 [0,0,0,1,0,0|2,0,0]=3 1727 B13R2.3 c1ccc([C@@H]2CSCCN2)cc1 Amb24652809 [0,0,0,1,0,0|2,0,0]=3 1728 B13R2.3 c1ccc([C@H]2CCCCN2)cc1 Amb24181809 [0,0,0,1,0,0|1,0,0]=2 1729 B13R2.3 c1ccc([C@H]2CCCCN2)nc1 Amb22751938 [0,0,0,1,0,0|2,0,0]=3 1730 B13R2.3 c1ccc([C@H]2CCCNC2)cc1 Amb19888168 [0,0,0,1,0,0|2,0,0]=3 1731 B13R2.3 c1ccc([C@H]2CCCNC2)cc1 Amb22755507 [0,0,0,1,0,0|2,0,0]=3 1732 B13R2.3 c1ccc([C@H]2CCCNC2)nc1 Amb22751791 [0,0,0,1,0,0|3,0,0]=4 1733 B13R2.3 c1ccc([C@H]2CCOCO2)cc1 Amb27425306 [0,0,0,1,0,0|1,0,0]=2 1734 B13R2.3 c1ccc([C@H]2CNCCN2)cc1 Amb25149925 [0,0,0,1,0,0|2,0,0]=3 1735 B13R2.3 c1ccc([C@H]2CNCCO2)cc1 Amb27809067 [0,0,0,1,0,0|1,0,0]=2 1736 B13R2.3 c1ccc([C@H]2CNCCO2)cc1 Amb34913338 [0,0,0,1,0,0|1,0,0]=2 1737 B13R2.3 c1ccc([C@H]2COCCN2)cc1 Amb20242901 [0,0,0,1,0,0|2,0,0]=3 1738 B13R2.3 c1ccc([C@H]2COCCN2)cc1 Amb24077482 [0,0,0,1,0,0|2,0,0]=3 1739 B13R2.3 c1ccc([C@H]2COCCN2)nc1 Amb26958442 [0,0,0,1,0,0|3,0,0]=4 1740 B13R2.3 c1ccc([C@H]2CSCCN2)cc1 Amb27964190 [0,0,0,1,0,0|2,0,0]=3 1741 B13R2.3 c1ccc([SiH]2CCCCC2)cc1 Amb22366575 [0,0,0,1,0,0|1,1,0]=3 1742 B13R2.3 c1cnc(C2CCCCN2)cn1 Amb17756919 [0,0,0,1,0,0|3,0,0]=4 1743 B13R2.3 c1cnc(C2CCCCN2)nc1 Amb27855824 [0,0,0,1,0,0|3,0,0]=4 1744 B13R2.3 c1cnc(C2CCCCN2)nc1 Amb30046402 [0,0,0,1,0,0|3,0,0]=4 1745 B13R2.3 c1cnc(C2CNCCO2)cn1 Amb26034514 [0,0,0,1,0,0|3,0,0]=4 1746 B13R2.3 c1cnc(C2CNCCO2)nc1 Amb26414579 [0,0,0,1,0,0|3,0,0]=4 1747 B13R2.3 c1cnc([C@@H]2CCCCN2)nc1 Amb32716265 [0,0,0,1,0,0|3,0,0]=4 1748 B13R2.3 c1cncc(B2OCCCO2)c1 Amb2456052 [0,0,0,1,0,0|3,0,0]=4 1749 B13R2.3 c1cncc(C2=NCCCC2)c1 Amb1981490 [0,0,0,1,0,0|2,0,1]=4 1750 B13R2.3 c1cncc(C2=NCCCC2)c1 Amb5718016 [0,0,0,1,0,0|2,0,1]=4 1751 B13R2.3 c1cncc(C2CCCCN2)c1 Amb17659186 [0,0,0,1,0,0|2,0,0]=3 1752 B13R2.3 c1cncc(C2CCCCN2)c1 Amb22741090 [0,0,0,1,0,0|2,0,0]=3 1753 B13R2.3 c1cncc(C2CCCCN2)c1 Amb532939 [0,0,0,1,0,0|2,0,0]=3 1754 B13R2.3 c1cncc(C2CCCNC2)c1 Amb26864942 [0,0,0,1,0,0|3,0,0]=4 1755 B13R2.3 c1cncc(C2CCCNC2)c1 Amb28600203 [0,0,0,1,0,0|3,0,0]=4 1756 B13R2.3 c1cncc(C2CCCNC2)c1 Amb8009656 [0,0,0,1,0,0|3,0,0]=4 1757 B13R2.3 c1cncc(C2CCCOC2)c1 Amb24320762 [0,0,0,1,0,0|3,0,0]=4 1758 B13R2.3 c1cncc(C2CCNCC2)c1 Amb22756469 [0,0,0,1,0,0|3,0,0]=4 1759 B13R2.3 c1cncc(C2CCNCC2)c1 Amb22756575 [0,0,0,1,0,0|3,0,0]=4 1760 B13R2.3 c1cncc(C2CCNCC2)c1 Amb3933569 [0,0,0,1,0,0|3,0,0]=4 1761 B13R2.3 c1cncc(C2CCOCC2)c1 Amb24320765 [0,0,0,1,0,0|3,0,0]=4 1762 B13R2.3 c1cncc(C2CNCCN2)c1 Amb10068869 [0,0,0,1,0,0|3,0,0]=4 1763 B13R2.3 c1cncc(C2CNCCN2)c1 Amb2696382 [0,0,0,1,0,0|3,0,0]=4 1764 B13R2.3 c1cncc(C2CNCCO2)c1 Amb10068842 [0,0,0,1,0,0|2,0,0]=3 1765 B13R2.3 c1cncc(C2CNCCO2)c1 Amb22034686 [0,0,0,1,0,0|2,0,0]=3 1766 B13R2.3 c1cncc(C2CNCCO2)c1 Amb8009635 [0,0,0,1,0,0|2,0,0]=3 1767 B13R2.3 c1cncc(C2CNCCS2)c1 Amb10808442 [0,0,0,1,0,0|2,1,0]=4 1768 B13R2.3 c1cncc(C2COCCN2)c1 Amb29083352 [0,0,0,1,0,0|3,0,0]=4 1769 B13R2.3 c1cncc(C2COCCN2)c1 Amb8009630 [0,0,0,1,0,0|3,0,0]=4 1770 B13R2.3 c1cncc(C2CSCCN2)c1 Amb10068814 [0,0,0,1,0,0|3,0,0]=4 1771 B13R2.3 c1cncc(C2NCCCO2)c1 Amb17334612 [0,0,0,1,0,0|2,0,0]=3 1772 B13R2.3 c1cncc(C2NCCCS2)c1 Amb28351890 [0,0,0,1,0,0|2,1,0]=4 1773 B13R2.3 c1cncc(C2OCCCO2)c1 Amb17334629 [0,0,0,1,0,0|2,0,0]=3 1774 B13R2.3 c1cncc(C2SCCCS2)c1 Amb583775 [0,0,0,1,0,0|2,1,0]=4 1775 B13R2.3 c1cncc(N2CCCCC2)c1 Amb18268276 [0,0,0,1,0,0|3,0,0]=4 1776 B13R2.3 c1cncc([C@@H]2CCCCN2)c1 Amb1043454 [0,0,0,1,0,0|2,0,0]=3 1777 B13R2.3 c1cncc([C@@H]2CCCCN2)c1 Amb1980982 [0,0,0,1,0,0|2,0,0]=3 1778 B13R2.3 c1cncc([C@@H]2CCCNC2)c1 Amb27875522 [0,0,0,1,0,0|3,0,0]=4 1779 B13R2.3 c1cncc([C@H]2CCCCN2)c1 Amb16229320 [0,0,0,1,0,0|2,0,0]=3 1780 B13R2.3 c1cncc([C@H]2CCCCN2)c1 Amb9756072 [0,0,0,1,0,0|2,0,0]=3 1781 B13R2.3 c1cncc([C@H]2CCCNC2)c1 Amb25269640 [0,0,0,1,0,0|3,0,0]=4 1782 B13R2.3 c1cncc([C@H]2COCCN2)c1 Amb26415236 [0,0,0,1,0,0|3,0,0]=4 1783 B13R2.3 c1cnnc(C2CCCCN2)c1 Amb32416140 [0,0,0,1,0,0|3,0,0]=4 1784 B13R2.3 c1cnnc(N2CCCCO2)c1 Amb28188027 [0,0,0,1,0,0|3,0,0]=4 1785 B13R2.3 c1ncc(C2CCCCN2)cn1 Amb18280973 [0,0,0,1,0,0|3,0,0]=4 1786 B13R2.3 c1ncc(C2CNCCO2)cn1 Amb33266869 [0,0,0,1,0,0|3,0,0]=4 1787 B13R2.3 c1ncc([C@H]2CCCCN2)cn1 Amb25824677 [0,0,0,1,0,0|3,0,0]=4 1788 B13R2.15 BrC1CCCC1c2ccccc2 Amb27487943 [0,0,0,1,0,0|1,0,0]=2 1789 B13R2.15 BrC1CCCC1c2cccnc2 Amb27412723 [0,0,0,1,0,0|2,0,0]=3 1790 B13R2.15 BrC1CCCC1c2cnccn2 Amb27454489 [0,0,0,1,0,0|3,0,0]=4 1791 B13R2.15 BrC1COCC1c2ccccc2 Amb35736911 [0,0,0,1,0,0|2,0,0]=3 1792 B13R2.15 BrC1COCC1c2cccnc2 Amb35736912 [0,0,0,1,0,0|3,0,0]=4 1793 B13R2.15 CC1CCCC1c2ccccc2 Amb28060308 [0,0,0,1,0,0|1,0,0]=2 1794 B13R2.15 CC1CCCN1c2ccccn2 Amb27765835 [0,0,0,1,0,0|3,0,0]=4 1795 B13R2.15 CC1CCN=C1c2ccccc2 Amb26867229 [0,0,0,1,0,0|2,0,1]=4 1796 B13R2.15 CC1CCNC1c2ccccc2 Amb33533836 [0,0,0,1,0,0|2,0,0]=3 1797 B13R2.15 CC1CCNC1c2cccnc2 Amb3788163 [0,0,0,1,0,0|3,0,0]=4 1798 B13R2.15 CC1CNCC1c2ccccc2 Amb24312553 [0,0,0,1,0,0|2,0,0]=3 1799 B13R2.15 CC1CNCC1c2ccccn2 Amb28056498 [0,0,0,1,0,0|3,0,0]=4 1800 B13R2.15 CC1CNCC1c2ccncc2 Amb27811235 [0,0,0,1,0,0|3,0,0]=4 1801 B13R2.15 CC1NCCC1c2ccccc2 Amb18279882 [0,0,0,1,0,0|2,0,0]=3 1802 B13R2.15 CC1OCNC1c2ccccc2 Amb27614663 [0,0,0,1,0,0|3,0,0]=4 1803 B13R2.15 CN1CCCC1c2cccnc2 Amb6600438 [0,0,0,1,0,0|3,0,0]=4 1804 B13R2.15 CN1CCC[C@@H]1c2ccccc2 Amb25817229 [0,0,0,1,0,0|2,0,0]=3 1805 B13R2.15 CN1CCC[C@H]1c2ccccc2 Amb27603452 [0,0,0,1,0,0|2,0,0]=3 1806 B13R2.15 CN1CCC[C@H]1c2cccnc2 Amb533498 [0,0,0,1,0,0|3,0,0]=4 1807 B13R2.15 CN1CCOC1c2ccccc2 Amb3735625 [0,0,0,1,0,0|3,0,0]=4 1808 B13R2.15 C[C@@H]1CCN[C@H]1c2ccccc2 Amb18829884 [0,0,0,1,0,0|2,0,0]=3 1809 B13R2.15 C[C@@H]1CCN[C@H]1c2ccccn2 Amb18829584 [0,0,0,1,0,0|3,0,0]=4 1810 B13R2.15 C[C@@H]1CCN[C@H]1c2cccnc2 Amb18829583 [0,0,0,1,0,0|3,0,0]=4 1811 B13R2.15 C[C@@H]1CCN[C@H]1c2ccncc2 Amb18829582 [0,0,0,1,0,0|3,0,0]=4 1812 B13R2.15 C[C@@H]1NCCC1c2ccccc2 Amb27616689 [0,0,0,1,0,0|2,0,0]=3 1813 B13R2.15 C[C@@H]1NCC[C@H]1c2ccccc2 Amb27420012 [0,0,0,1,0,0|2,0,0]=3 1814 B13R2.15 C[C@@H]1NCO[C@H]1c2ccccc2 Amb27441137 [0,0,0,1,0,0|3,0,0]=4 1815 B13R2.15 C[C@@H]1OCN[C@H]1c2ccccc2 Amb28385033 [0,0,0,1,0,0|3,0,0]=4 1816 B13R2.15 C[C@H]1CCN[C@@H]1c2ccccc2 Amb27252946 [0,0,0,1,0,0|2,0,0]=3 1817 B13R2.15 C[C@H]1CCN[C@@H]1c2ccccn2 Amb27420243 [0,0,0,1,0,0|3,0,0]=4 1818 B13R2.15 C[C@H]1OCN[C@H]1c2ccccc2 Amb27441110 [0,0,0,1,0,0|3,0,0]=4 1819 B13R2.15 ClC1CCCC1c2ccccc2 Amb18184968 [0,0,0,1,0,0|1,0,0]=2 1820 B13R2.15 ClC1CCN=C1c2ccccc2 Amb27637714 [0,0,0,1,0,0|2,0,1]=4 1821 B13R2.15 ClC1CCOC1c2ccccc2 Amb27634832 [0,0,0,1,0,0|2,0,0]=3 1822 B13R2.15 ClC1COCC1c2ccccc2 Amb35735020 [0,0,0,1,0,0|2,0,0]=3 1823 B13R2.15 ClC1COCC1c2cccnc2 Amb35735882 [0,0,0,1,0,0|3,0,0]=4 1824 B13R2.15 FC1CNCC1c2cccnc2 Amb27621394 [0,0,0,1,0,0|3,0,0]=4 1825 B13R2.15 F[C@@H]1CNC[C@@H]1c2ccccc2 Amb32904432 [0,0,0,1,0,0|2,0,0]=3 1826 B13R2.15 F[C@@H]1CNC[C@@H]1c2ccccc2 Amb33330912 [0,0,0,1,0,0|2,0,0]=3 1827 B13R2.15 N=C1CCCN1c2ccccc2 Amb7764355 [0,0,0,1,0,0|2,0,1]=4 1828 B13R2.15 N=C1NCCC1c2ccccc2 Amb27791860 [0,0,0,1,0,0|2,0,1]=4 1829 B13R2.15 NC1CCCC1c2ccccc2 Amb17506307 [0,0,0,1,0,0|1,0,0]=2 1830 B13R2.15 NC1CCCC1c2ccccc2 Amb32652751 [0,0,0,1,0,0|1,0,0]=2 1831 B13R2.15 NC1CCCC1c2ccccn2 Amb25117417 [0,0,0,1,0,0|2,0,0]=3 1832 B13R2.15 NC1CCNC1c2ccccc2 Amb18829599 [0,0,0,1,0,0|2,0,0]=3 1833 B13R2.15 NC1CCOC1c2ccccc2 Amb20623662 [0,0,0,1,0,0|2,0,0]=3 1834 B13R2.15 NC1CCOC1c2cccnc2 Amb32666104 [0,0,0,1,0,0|3,0,0]=4 1835 B13R2.15 NC1CCOC1c2ccncc2 Amb27658573 [0,0,0,1,0,0|3,0,0]=4 1836 B13R2.15 NC1CCOC1c2ccncc2 Amb32661506 [0,0,0,1,0,0|3,0,0]=4 1837 B13R2.15 NC1CNCC1c2ccccc2 Amb24432765 [0,0,0,1,0,0|2,0,0]=3 1838 B13R2.15 NC1CNCC1c2ccccn2 Amb32756029 [0,0,0,1,0,0|3,0,0]=4 1839 B13R2.15 NC1CNCC1c2cccnc2 Amb32756031 [0,0,0,1,0,0|3,0,0]=4 1840 B13R2.15 NC1CNCC1c2ccncc2 Amb32756033 [0,0,0,1,0,0|3,0,0]=4 1841 B13R2.15 NC1COCC1c2cccnc2 Amb29877516 [0,0,0,1,0,0|3,0,0]=4 1842 B13R2.15 NN1CCCC1c2ccccc2 Amb22288944 [0,0,0,1,0,0|2,0,0]=3 1843 B13R2.15 NN1CCCC1c2ccccn2 Amb25711510 [0,0,0,1,0,0|3,0,0]=4 1844 B13R2.15 NN1CCCC1c2cccnc2 Amb26033222 [0,0,0,1,0,0|3,0,0]=4 1845 B13R2.15 NN1CCCC1c2ccncc2 Amb26994311 [0,0,0,1,0,0|3,0,0]=4 1846 B13R2.15 N[C@@H]1CCC[C@@H]1c2ccccc2 Amb22745600 [0,0,0,1,0,0|1,0,0]=2 1847 B13R2.15 N[C@@H]1CCC[C@@H]1c2ccccc2 Amb32655988 [0,0,0,1,0,0|1,0,0]=2 1848 B13R2.15 N[C@@H]1CCC[C@H]1c2ccccc2 Amb25168925 [0,0,0,1,0,0|1,0,0]=2 1849 B13R2.15 N[C@@H]1CCC[C@H]1c2ccccc2 Amb28617037 [0,0,0,1,0,0|1,0,0]=2 1850 B13R2.15 N[C@@H]1CCO[C@@H]1c2ccccc2 Amb34915523 [0,0,0,1,0,0|2,0,0]=3 1851 B13R2.15 N[C@@H]1CCO[C@@H]1c2cccnc2 Amb34915533 [0,0,0,1,0,0|3,0,0]=4 1852 B13R2.15 N[C@@H]1CCO[C@@H]1c2ccncc2 Amb34915529 [0,0,0,1,0,0|3,0,0]=4 1853 B13R2.15 N[C@@H]1CCO[C@H]1c2ccccc2 Amb25289028 [0,0,0,1,0,0|2,0,0]=3 1854 B13R2.15 N[C@@H]1CCO[C@H]1c2cccnc2 Amb32668943 [0,0,0,1,0,0|3,0,0]=4 1855 B13R2.15 N[C@@H]1CCO[C@H]1c2ccncc2 Amb28455729 [0,0,0,1,0,0|3,0,0]=4 1856 B13R2.15 N[C@@H]1CCO[C@H]1c2ccncc2 Amb32668960 [0,0,0,1,0,0|3,0,0]=4 1857 B13R2.15 N[C@@H]1CNC[C@H]1c2ccccc2 Amb27788278 [0,0,0,1,0,0|2,0,0]=3 1858 B13R2.15 N[C@H]1CCC[C@H]1c2ccccc2 Amb27419894 [0,0,0,1,0,0|1,0,0]=2 1859 B13R2.15 N[C@H]1CCC[C@H]1c2ccccc2 Amb33804658 [0,0,0,1,0,0|1,0,0]=2 1860 B13R2.15 N[C@H]1CCO[C@@H]1c2cccnc2 Amb28679406 [0,0,0,1,0,0|3,0,0]=4 1861 B13R2.15 N[C@H]1CCO[C@@H]1c2ccncc2 Amb27803064 [0,0,0,1,0,0|3,0,0]=4 1862 B13R2.15 N[C@H]1CCO[C@@H]1c2ccncc2 Amb28717822 [0,0,0,1,0,0|3,0,0]=4 1863 B13R2.15 N[C@H]1COC[C@H]1c2ccccc2 Amb28245212 [0,0,0,1,0,0|2,0,0]=3 1864 B13R2.15 O=C1CCCC1c2ccccc2 Amb17940271 [0,0,0,1,0,0|0,0,2]=3 1865 B13R2.15 O=C1CCCC1c2ccccn2 Amb2793693 [0,0,0,1,0,0|1,0,2]=4 1866 B13R2.15 O=C1CCCC1c2ccccn2 Amb32652718 [0,0,0,1,0,0|1,0,2]=4 1867 B13R2.15 O=C1CCCC1c2cccnc2 Amb18797977 [0,0,0,1,0,0|1,0,2]=4 1868 B13R2.15 O=C1CCCN1c2ccccc2 Amb6357467 [0,0,0,1,0,0|1,0,2]=4 1869 B13R2.15 O=C1CCC[C@H]1c2ccccc2 Amb27175855 [0,0,0,1,0,0|0,0,2]=3 1870 B13R2.15 O=C1CCNC1c2ccccc2 Amb18829957 [0,0,0,1,0,0|1,0,2]=4 1871 B13R2.15 O=C1CCNC1c2ccccc2 Amb22901061 [0,0,0,1,0,0|1,0,2]=4 1872 B13R2.15 O=C1CCOC1c2ccccc2 Amb27177705 [0,0,0,1,0,0|1,0,2]=4 1873 B13R2.15 O=C1COCC1c2ccccc2 Amb23590154 [0,0,0,1,0,0|1,0,2]=4 1874 B13R2.15 O=C1NCCC1c2ccccc2 Amb17400090 [0,0,0,1,0,0|1,0,2]=4 1875 B13R2.15 O=C1NCC[C@@H]1c2ccccc2 Amb28316759 [0,0,0,1,0,0|1,0,2]=4 1876 B13R2.15 O=C1NCC[C@H]1c2ccccc2 Amb27852446 [0,0,0,1,0,0|1,0,2]=4 1877 B13R2.15 O=C1OCCC1c2ccccc2 Amb10606603 [0,0,0,1,0,0|1,0,2]=4 1878 B13R2.15 O=S1CCNC1c2ccccc2 Amb27774432 [0,0,0,1,0,0|2,0,1]=4 1879 B13R2.15 O=S1CCSC1c2ccccc2 Amb28253019 [0,0,0,1,0,0|2,0,1]=4 1880 B13R2.15 OC1CCCC1c2ccccc2 Amb18798120 [0,0,0,1,0,0|0,0,0]=1 1881 B13R2.15 OC1CCCC1c2ccccn2 Amb22886904 [0,0,0,1,0,0|1,0,0]=2 1882 B13R2.15 OC1CCCC1c2cccnc2 Amb18798202 [0,0,0,1,0,0|1,0,0]=2 1883 B13R2.15 OC1CCCC1c2cnccn2 Amb26035154 [0,0,0,1,0,0|2,0,0]=3 1884 B13R2.15 OC1CCCC1c2cncnc2 Amb18798310 [0,0,0,1,0,0|2,0,0]=3 1885 B13R2.15 OC1CCNC1c2ccccc2 Amb18829239 [0,0,0,1,0,0|1,0,0]=2 1886 B13R2.15 OC1CCNC1c2ccccc2 Amb32411999 [0,0,0,1,0,0|1,0,0]=2 1887 B13R2.15 OC1CCNC1c2ccccn2 Amb18828825 [0,0,0,1,0,0|2,0,0]=3 1888 B13R2.15 OC1CCNC1c2cccnn2 Amb18828315 [0,0,0,1,0,0|3,0,0]=4 1889 B13R2.15 OC1CCNC1c2ccncc2 Amb27847303 [0,0,0,1,0,0|2,0,0]=3 1890 B13R2.15 OC1CCNC1c2ccncn2 Amb18828314 [0,0,0,1,0,0|3,0,0]=4 1891 B13R2.15 OC1CCO[C@@H]1c2ccccc2 Amb28454218 [0,0,0,1,0,0|1,0,0]=2 1892 B13R2.15 OC1CNCC1c2ccccc2 Amb18829263 [0,0,0,1,0,0|1,0,0]=2 1893 B13R2.15 OC1CNCC1c2cccnc2 Amb33212793 [0,0,0,1,0,0|2,0,0]=3 1894 B13R2.15 OC1CNCC1c2cnccn2 Amb32950279 [0,0,0,1,0,0|3,0,0]=4 1895 B13R2.15 OC1CNCC1c2cncnc2 Amb32944514 [0,0,0,1,0,0|3,0,0]=4 1896 B13R2.15 OC1CNN=C1c2ccccc2 Amb28048274 [0,0,0,1,0,0|2,0,1]=4 1897 B13R2.15 OC1COCC1c2ccccc2 Amb23448389 [0,0,0,1,0,0|1,0,0]=2 1898 B13R2.15 OC1COCC1c2cccnc2 Amb33213292 [0,0,0,1,0,0|2,0,0]=3 1899 B13R2.15 OC1COCC1c2cnccn2 Amb32950908 [0,0,0,1,0,0|3,0,0]=4 1900 B13R2.15 OC1COCC1c2cncnc2 Amb32950087 [0,0,0,1,0,0|3,0,0]=4 1901 B13R2.15 OC1OCCC1c2ccccc2 Amb22752503 [0,0,0,1,0,0|1,0,0]=2 1902 B13R2.15 O[C@@H]1CC=C[C@@H]1c2ccccc2 Amb27813417 [0,0,0,1,0,0|0,0,2]=3 1903 B13R2.15 O[C@@H]1CCC[C@@H]1c2ccccc2 Amb27255257 [0,0,0,1,0,0|0,0,0]=1 1904 B13R2.15 O[C@@H]1CCC[C@@H]1c2ccccn2 Amb25061446 [0,0,0,1,0,0|1,0,0]=2 1905 B13R2.15 O[C@@H]1CCC[C@H]1c2ccccc2 Amb24678146 [0,0,0,1,0,0|0,0,0]=1 1906 B13R2.15 O[C@@H]1CCC[C@H]1c2ccccn2 Amb26946414 [0,0,0,1,0,0|1,0,0]=2 1907 B13R2.15 O[C@@H]1CCC[C@H]1c2cccnc2 Amb32950170 [0,0,0,1,0,0|1,0,0]=2 1908 B13R2.15 O[C@@H]1CCC[C@H]1c2cnccn2 Amb25306333 [0,0,0,1,0,0|2,0,0]=3 1909 B13R2.15 O[C@@H]1CCC[C@H]1c2cncnc2 Amb33213456 [0,0,0,1,0,0|2,0,0]=3 1910 B13R2.15 O[C@@H]1CNC[C@H]1c2ccccc2 Amb10603153 [0,0,0,1,0,0|1,0,0]=2 1911 B13R2.15 O[C@@H]1CNC[C@H]1c2ccccc2 Amb22405991 [0,0,0,1,0,0|1,0,0]=2 1912 B13R2.15 O[C@@H]1CNC[C@H]1c2ccccc2 Amb22899740 [0,0,0,1,0,0|1,0,0]=2 1913 B13R2.15 O[C@@H]1CNC[C@H]1c2cccnc2 Amb32944729 [0,0,0,1,0,0|2,0,0]=3 1914 B13R2.15 O[C@@H]1CNC[C@H]1c2cnccn2 Amb32950317 [0,0,0,1,0,0|3,0,0]=4 1915 B13R2.15 O[C@@H]1CNC[C@H]1c2cncnc2 Amb33213464 [0,0,0,1,0,0|3,0,0]=4 1916 B13R2.15 O[C@@H]1COC[C@H]1c2ccccc2 Amb27981628 [0,0,0,1,0,0|1,0,0]=2 1917 B13R2.15 O[C@@H]1COC[C@H]1c2cccnc2 Amb32950452 [0,0,0,1,0,0|2,0,0]=3 1918 B13R2.15 O[C@@H]1COC[C@H]1c2cnccn2 Amb33213797 [0,0,0,1,0,0|3,0,0]=4 1919 B13R2.15 O[C@@H]1COC[C@H]1c2cncnc2 Amb33213746 [0,0,0,1,0,0|3,0,0]=4 1920 B13R2.15 O[C@H]1CCC=C1c2ccccc2 Amb27766529 [0,0,0,1,0,0|0,0,2]=3 1921 B13R2.15 O[C@H]1CCC[C@@H]1c2ccccc2 Amb25236019 [0,0,0,1,0,0|0,0,0]=1 1922 B13R2.15 O[C@H]1CCC[C@H]1c2ccccc2 Amb28053441 [0,0,0,1,0,0|0,0,0]=1 1923 B13R2.15 O[C@H]1CCC[C@H]1c2cnccn2 Amb27451968 [0,0,0,1,0,0|2,0,0]=3 1924 B13R2.15 O[C@H]1CCO[C@H]1c2ccccc2 Amb27443576 [0,0,0,1,0,0|1,0,0]=2 1925 B13R2.15 O[C@H]1CNC[C@@H]1c2ccccc2 Amb26440363 [0,0,0,1,0,0|1,0,0]=2 1926 B13R2.15 O[C@H]1CNC[C@H]1c2ccccc2 Amb24725624 [0,0,0,1,0,0|1,0,0]=2 1927 B13R2.15 O[C@H]1COC[C@@H]1c2ccccc2 Amb27457647 [0,0,0,1,0,0|1,0,0]=2 1928 B13R2.15 O[C@H]1CON=C1c2ccccc2 Amb28460671 [0,0,0,1,0,0|2,0,1]=4 1929 B13R2.17 CC1CC1NCc2ccncc2 Amb18990701 [0,0,0,1,0,0|3,0,0]=4 1930 B13R2.17 C[C@@H]1C[C@H]1NCc2ccccn2 Amb27453857 [0,0,0,1,0,0|3,0,0]=4 1931 B13R2.17 C[C@@H]1C[C@H]1NCc2ccncc2 Amb27245250 [0,0,0,1,0,0|3,0,0]=4 1932 B13R2.17 ClC1CC1C#Cc2ccccc2 Amb27646440 [0,0,0,1,0,0|1,0,2]=4 1933 B13R2.17 Cl[C@H]1C[C@H]1C#Cc2ccccc2 Amb27637716 [0,0,0,1,0,0|1,0,2]=4 1934 B13R2.17 NC1CC1CCc2ccccc2 Amb25106873 [0,0,0,1,0,0|1,0,0]=2 1935 B13R2.17 NC1CC1\C=C\c2ccccc2 Amb33081319 [0,0,0,1,0,0|1,0,2]=4 1936 B13R2.17 N[C@@H]1C[C@H]1CCc2ccccc2 Amb26443446 [0,0,0,1,0,0|1,0,0]=2 1937 B13R2.17 N[C@@H]1C[C@H]1COc2ccccc2 Amb28436810 [0,0,0,1,0,0|2,0,0]=3 1938 B13R2.17 N[C@@H]1C[C@H]1\C=C\c2ccccc2 Amb33081317 [0,0,0,1,0,0|1,0,2]=4 1939 B13R2.17 N[C@H]1C[C@H]1\N=C\c2ccccc2 Amb28076668 [0,0,0,1,0,0|2,0,1]=4 1940 B13R2.17 O[C@@H]1C[C@H]1OCc2ccccc2 Amb27443609 [0,0,0,1,0,0|1,0,0]=2 1941 B13R2.25 BrCCC1CC1c2ccccc2 Amb24525097 [0,0,0,1,0,0|1,0,0]=2 1942 B13R2.25 C=CCC1CC1c2ccccc2 Amb26386415 [0,0,0,1,0,0|1,0,1]=3 1943 B13R2.25 C=CC[C@@H]1C[C@H]1c2ccccc2 Amb32667547 [0,0,0,1,0,0|1,0,1]=3 1944 B13R2.25 CCNC1CC1c2ccccc2 Amb18983170 [0,0,0,1,0,0|2,0,0]=3 1945 B13R2.25 CCN[C@@H]1C[C@H]1c2ccccc2 Amb27814227 [0,0,0,1,0,0|2,0,0]=3 1946 B13R2.25 CCN[C@H]1C[C@@H]1c2ccccc2 Amb28457419 [0,0,0,1,0,0|2,0,0]=3 1947 B13R2.25 CNCC1CC1c2ccccc2 Amb17568106 [0,0,0,1,0,0|2,0,0]=3 1948 B13R2.25 CNC[C@@H]1C[C@@H]1c2ccccc2 Amb27434473 [0,0,0,1,0,0|2,0,0]=3 1949 B13R2.25 CNC[C@@H]1C[C@H]1c2ccccc2 Amb29837831 [0,0,0,1,0,0|2,0,0]=3 1950 B13R2.25 CONC1CC1c2ccccc2 Amb28126379 [0,0,0,1,0,0|3,0,0]=4 1951 B13R2.25 CSC[C@@H]1C[C@H]1c2ccccc2 Amb28183079 [0,0,0,1,0,0|2,0,0]=3 1952 B13R2.25 ClCCC1CC1c2ccccc2 Amb24442277 [0,0,0,1,0,0|1,0,0]=2 1953 B13R2.25 ClCCN1CC1c2ccccc2 Amb24059923 [0,0,0,1,0,0|2,0,0]=3 1954 B13R2.25 ClCC[C@@H]1O[C@@H]1c2ccccc2 Amb27776820 [0,0,0,1,0,0|2,0,0]=3 1955 B13R2.25 ClCC[C@H]1O[C@@H]1c2ccccc2 Amb27444985 [0,0,0,1,0,0|2,0,0]=3 1956 B13R2.25 N#CCC1CC1c2ccccc2 Amb23539347 [0,0,0,1,0,0|1,0,1]=3 1957 B13R2.25 N#CC[C@@H]1C[C@@H]1c2ccccc2 Amb34915364 [0,0,0,1,0,0|1,0,1]=3 1958 B13R2.25 N#CC[C@@H]1C[C@H]1c2ccccc2 Amb25968290 [0,0,0,1,0,0|1,0,1]=3 1959 B13R2.25 NCCC1CC1c2ccccc2 Amb23539326 [0,0,0,1,0,0|1,0,0]=2 1960 B13R2.25 NNCC1CC1c2ccccc2 Amb23539331 [0,0,0,1,0,0|2,0,0]=3 1961 B13R2.25 N\N=C\[C@@H]1C[C@H]1c2ccccc2 Amb27256220 [0,0,0,1,0,0|2,0,1]=4 1962 B13R2.25 O=C=NC1CC1c2ccccc2 Amb17232284 [0,0,0,1,0,0|1,0,2]=4 1963 B13R2.25 O=C=N[C@@H]1C[C@@H]1c2ccccc2 Amb27210554 [0,0,0,1,0,0|1,0,2]=4 1964 B13R2.25 O=C=N[C@H]1C[C@@H]1c2ccccc2 Amb26425948 [0,0,0,1,0,0|1,0,2]=4 1965 B13R2.25 O=CCC1CC1c2ccccc2 Amb28243837 [0,0,0,1,0,0|0,0,2]=3 1966 B13R2.25 O=CC[C@@H]1C[C@@H]1c2ccccc2 Amb34915327 [0,0,0,1,0,0|0,0,2]=3 1967 B13R2.25 O=CC[C@@H]1C[C@H]1c2ccccc2 Amb32667655 [0,0,0,1,0,0|0,0,2]=3 1968 B13R2.25 OCCC1CC1c2ccccc2 Amb26860518 [0,0,0,1,0,0|0,0,0]=1 1969 B13R2.25 OCCC1OC1c2ccccc2 Amb28244287 [0,0,0,1,0,0|1,0,0]=2 1970 B13R2.25 OCC[C@@H]1O[C@@H]1c2ccccc2 Amb28318464 [0,0,0,1,0,0|1,0,0]=2 1971 B13R2.25 OCC[C@H]1C[C@H]1c2ccccc2 Amb27252343 [0,0,0,1,0,0|0,0,0]=1 1972 B13R2.25 O\N=C\C1CC1c2ccccc2 Amb30666642 [0,0,0,1,0,0|1,0,1]=3 1973 B13R2.27 C[C@H]1CCN1Cc2ccccc2 Amb27803765 [0,0,0,1,0,0|2,0,0]=3 1974 B13R2.27 NC1CCC1Cc2cccnc2 Amb27648819 [0,0,0,1,0,0|2,0,0]=3 1975 B13R2.27 O=C1CCC1Cc2ccccc2 Amb27177755 [0,0,0,1,0,0|0,0,2]=3 1976 B13R2.27 O=C1CCN1Cc2ccccc2 Amb25117461 [0,0,0,1,0,0|1,0,2]=4 1977 B13R2.27 O=C1COC1Cc2ccccc2 Amb35789727 [0,0,0,1,0,0|1,0,2]=4 1978 B13R2.27 O=C1NCC1Cc2ccccc2 Amb27855620 [0,0,0,1,0,0|1,0,2]=4 1979 B13R2.27 OC1CCC1Cc2ccccc2 Amb33213493 [0,0,0,1,0,0|0,0,0]=1 1980 B13R2.27 OC1CCC1Cc2ccccn2 Amb32944915 [0,0,0,1,0,0|1,0,0]=2 1981 B13R2.27 OC1CCC1Cc2cccnc2 Amb32945439 [0,0,0,1,0,0|1,0,0]=2 1982 B13R2.27 OC1CCC1Cc2ccncc2 Amb32950924 [0,0,0,1,0,0|1,0,0]=2 1983 B13R2.27 OC1CCC1Nc2cnccn2 Amb33609690 [0,0,0,1,0,0|3,0,0]=4 1984 B13R2.27 OC1CCC1Nc2ncccn2 Amb33609691 [0,0,0,1,0,0|3,0,0]=4 1985 B13R2.27 OC1CNC1Cc2ccccc2 Amb25960214 [0,0,0,1,0,0|1,0,0]=2 1986 B13R2.27 OC1COC1Cc2ccccc2 Amb27972405 [0,0,0,1,0,0|1,0,0]=2 1987 B13R2.27 OC1CO[C@H]1Cc2ccccc2 Amb27587820 [0,0,0,1,0,0|1,0,0]=2 1988 B13R2.27 O[C@@H]1CC[C@@H]1Sc2ccccc2 Amb27493499 [0,0,0,1,0,0|1,0,0]=2 1989 B13R2.27 O[C@@H]1CC[C@H]1Nc2ccccc2 Amb34930763 [0,0,0,1,0,0|1,0,0]=2 1990 B13R2.27 O[C@@H]1CC[C@H]1Nc2ccncc2 Amb28189992 [0,0,0,1,0,0|2,0,0]=3 1991 B13R2.27 O[C@H]1CC[C@@H]1Oc2ccccc2 Amb27184228 [0,0,0,1,0,0|1,0,0]=2 1992 B13R2.27 O[C@H]1CN[C@@H]1Cc2ccccc2 Amb26954864 [0,0,0,1,0,0|1,0,0]=2 1993 B13R2.27 S=C1CCN1Cc2ccccc2 Amb25837349 [0,0,0,1,0,0|1,1,1]=4 1994 B13R2.50 BrCC1CN1Cc2ccccc2 Amb23512411 [0,0,0,1,0,0|2,0,0]=3 1995 B13R2.50 NCC1CC1Cc2ccccc2 Amb19001477 [0,0,0,1,0,0|1,0,0]=2 1996 B13R2.50 NCC1CC1Cc2ccccc2 Amb31156084 [0,0,0,1,0,0|1,0,0]=2 1997 B13R2.50 NCC1CC1Oc2ccccc2 Amb27453566 [0,0,0,1,0,0|2,0,0]=3 1998 B13R2.50 NC[C@@H]1C[C@H]1Cc2ccccc2 Amb33249760 [0,0,0,1,0,0|1,0,0]=2 1999 B13R2.50 NC[C@@H]1C[C@H]1Cc2ccccc2 Amb33249761 [0,0,0,1,0,0|1,0,0]=2 2000 B13R2.50 O=CC1CC1Cc2ccccc2 Amb24537604 [0,0,0,1,0,0|0,0,2]=3 2001 B13R2.50 O=C[C@@H]1C[C@H]1Oc2ccccc2 Amb27257945 [0,0,0,1,0,0|1,0,2]=4 2002 B13R2.50 O=C[C@@H]1C[C@H]1Sc2ccccc2 Amb28400027 [0,0,0,1,0,0|1,0,2]=4 2003 B13R2.50 OCC1CC1Cc2ccccc2 Amb25234915 [0,0,0,1,0,0|0,0,0]=1 2004 B13R2.50 OCC1CC1Nc2ccccn2 Amb27218395 [0,0,0,1,0,0|2,0,0]=3 2005 B13R2.50 OCC1CC1Nc2cccnn2 Amb27479238 [0,0,0,1,0,0|3,0,0]=4 2006 B13R2.50 OCC1CC1Sc2ncccn2 Amb27977294 [0,0,0,1,0,0|3,0,0]=4 2007 B13R2.50 OCC1OC1Cc2ccccc2 Amb27411884 [0,0,0,1,0,0|1,0,0]=2 2008 B13R2.50 OC[C@@H]1C[C@@H]1Sc2ccccc2 Amb27472753 [0,0,0,1,0,0|1,0,0]=2 2009 B13R2.50 OC[C@@H]1C[C@H]1Nc2cnccn2 Amb27231930 [0,0,0,1,0,0|3,0,0]=4 2010 B13R2.50 OC[C@@H]1C[C@H]1Oc2ccccc2 Amb27619228 [0,0,0,1,0,0|1,0,0]=2 2011 B13R2.50 OC[C@@H]1O[C@@H]1Cc2ccccc2 Amb27977895 [0,0,0,1,0,0|1,0,0]=2 2012 B13R2.50 OC[C@@H]1O[C@H]1Cc2ccccc2 Amb27467796 [0,0,0,1,0,0|1,0,0]=2 2013 B13R2.50 OC[C@H]1O[C@@H]1Cc2ccccc2 Amb24615648 [0,0,0,1,0,0|1,0,0]=2 2014 B13R2.50 OC[C@H]1O[C@H]1Cc2ccccc2 Amb27219824 [0,0,0,1,0,0|1,0,0]=2 2015 B13R2.56 CCC1CNC1c2ccccc2 Amb27779050 [0,0,0,1,0,0|2,0,0]=3 2016 B13R2.56 CNC1CCC1c2ccccc2 Amb27858960 [0,0,0,1,0,0|2,0,0]=3 2017 B13R2.56 NCC1CCC1c2ccccc2 Amb27615402 [0,0,0,1,0,0|1,0,0]=2 2018 B13R2.56 NCC1CCC1c2cccnc2 Amb27817512 [0,0,0,1,0,0|2,0,0]=3 2019 B13R2.56 NCC1CCC1c2cncnc2 Amb27258906 [0,0,0,1,0,0|3,0,0]=4 2020 B13R2.56 NCC1CCN1c2ccccc2 Amb29852851 [0,0,0,1,0,0|2,0,0]=3 2021 B13R2.56 NCC1CCN1c2ccccn2 Amb33251068 [0,0,0,1,0,0|3,0,0]=4 2022 B13R2.56 NCC1CCN1c2cccnc2 Amb35595819 [0,0,0,1,0,0|3,0,0]=4 2023 B13R2.56 NCC1CCN1c2ccncc2 Amb33251507 [0,0,0,1,0,0|3,0,0]=4 2024 B13R2.56 O=CC1CCC1c2ccccc2 Amb28290504 [0,0,0,1,0,0|0,0,2]=3 2025 B13R2.56 O=C[C@@H]1CC[C@@H]1c2ccccc2 Amb26951878 [0,0,0,1,0,0|0,0,2]=3 2026 B13R2.56 O=C[C@@H]1CC[C@H]1c2ccccc2 Amb26935631 [0,0,0,1,0,0|0,0,2]=3 2027 B13R2.56 O=C[C@H]1CC[C@H]1c2ccccc2 Amb26388586 [0,0,0,1,0,0|0,0,2]=3 2028 B13R2.56 OCC1CCC1c2ccccc2 Amb23453480 [0,0,0,1,0,0|0,0,0]=1 2029 B13R2.56 OC[C@@H]1NC[C@H]1c2ccccc2 Amb35788435 [0,0,0,1,0,0|1,0,0]=2 2030 B13R2.56 OC[C@@H]1NC[C@H]1c2ccccc2 Amb35788924 [0,0,0,1,0,0|1,0,0]=2 2031 B13R2.64 C(=C1/CCCN1)/c2ccccc2 Amb27814288 [0,0,0,1,0,0|1,0,2]=4 2032 B13R2.64 C(=C1CCCC1)c2ccccc2 Amb10606582 [0,0,0,1,0,0|1,0,2]=4 2033 B13R2.64 C1=C(Cc2ccccc2)NCC1 Amb17938862 [0,0,0,1,0,0|1,0,2]=4 2034 B13R2.64 C1=C(Cc2cccnc2)CCC1 Amb27247604 [0,0,0,1,0,0|2,0,1]=4 2035 B13R2.64 C1=CC(Cc2ccccn2)CC1 Amb27178197 [0,0,0,1,0,0|2,0,1]=4 2036 B13R2.64 C1=CC(Sc2ccccc2)CC1 Amb17939289 [0,0,0,1,0,0|2,0,1]=4 2037 B13R2.64 C1=CCC(Cc2ccccc2)C1 Amb29888235 [0,0,0,1,0,0|1,0,2]=4 2038 B13R2.64 C1=NN(Cc2ccccc2)CC1 Amb8391964 [0,0,0,1,0,0|2,0,1]=4 2039 B13R2.64 C1=N[C@@H](Cc2ccccc2)CN1 Amb27475965 [0,0,0,1,0,0|2,0,1]=4 2040 B13R2.64 C1=N[C@H](Cc2ccccc2)CN1 Amb27834345 [0,0,0,1,0,0|2,0,1]=4 2041 B13R2.64 C1=[N+](Cc2ccccc2)CCN1 Amb27608681 [0,0,0,1,0,0|3,0,0]=4 2042 B13R2.64 c1cc(CC2CCCN2)ccn1 Amb33338867 [0,0,0,1,0,0|2,0,0]=3 2043 B13R2.64 c1cc(CC2CCCN2)ccn1 Amb3788167 [0,0,0,1,0,0|2,0,0]=3 2044 B13R2.64 c1cc(CC2CCCN2)ncn1 Amb24572198 [0,0,0,1,0,0|3,0,0]=4 2045 B13R2.64 c1cc(CC2CCNC2)ccn1 Amb33546033 [0,0,0,1,0,0|3,0,0]=4 2046 B13R2.64 c1cc(CN2CCCC2)ccn1 Amb10817372 [0,0,0,1,0,0|3,0,0]=4 2047 B13R2.64 c1cc(C[C@H]2CCCN2)ccn1 Amb33249741 [0,0,0,1,0,0|2,0,0]=3 2048 B13R2.64 c1cc(C[C@H]2CCCN2)ccn1 Amb33456443 [0,0,0,1,0,0|2,0,0]=3 2049 B13R2.64 c1cc(NC2CCCC2)ccn1 Amb6619218 [0,0,0,1,0,0|3,0,0]=4 2050 B13R2.64 c1cc(SC2CCCC2)ccn1 Amb27653928 [0,0,0,1,0,0|3,0,0]=4 2051 B13R2.64 c1cc[n+](CC2CCCO2)cc1 Amb28061808 [0,0,0,1,0,0|1,0,0]=2 2052 B13R2.64 c1ccc(CC2=NCCC2)cc1 Amb24053775 [0,0,0,1,0,0|1,0,1]=3 2053 B13R2.64 c1ccc(CC2=NCCN2)cc1 Amb6334870 [0,0,0,1,0,0|2,0,1]=4 2054 B13R2.64 c1ccc(CC2=NCCN2)cc1 Amb749611 [0,0,0,1,0,0|2,0,1]=4 2055 B13R2.64 c1ccc(CC2=NCCO2)cc1 Amb2429421 [0,0,0,1,0,0|1,0,1]=3 2056 B13R2.64 c1ccc(CC2=NCCS2)cc1 Amb28369846 [0,0,0,1,0,0|1,1,1]=4 2057 B13R2.64 c1ccc(CC2CCCN2)cc1 Amb17659145 [0,0,0,1,0,0|1,0,0]=2 2058 B13R2.64 c1ccc(CC2CCCN2)nc1 Amb2234788 [0,0,0,1,0,0|2,0,0]=3 2059 B13R2.64 c1ccc(CC2CCNC2)cc1 Amb24097496 [0,0,0,1,0,0|2,0,0]=3 2060 B13R2.64 c1ccc(CC2CCNC2)cc1 Amb3940960 [0,0,0,1,0,0|2,0,0]=3 2061 B13R2.64 c1ccc(CC2CCNC2)nc1 Amb18563559 [0,0,0,1,0,0|3,0,0]=4 2062 B13R2.64 c1ccc(CC2CCNC2)nc1 Amb21960663 [0,0,0,1,0,0|3,0,0]=4 2063 B13R2.64 c1ccc(CC2CCOC2)cc1 Amb27770987 [0,0,0,1,0,0|2,0,0]=3 2064 B13R2.64 c1ccc(CC2COCN2)cc1 Amb18563410 [0,0,0,1,0,0|2,0,0]=3 2065 B13R2.64 c1ccc(CC2NCCO2)cc1 Amb17506176 [0,0,0,1,0,0|1,0,0]=2 2066 B13R2.64 c1ccc(CC2OCCO2)cc1 Amb8517494 [0,0,0,1,0,0|1,0,0]=2 2067 B13R2.64 c1ccc(CC2OCCO2)nc1 Amb24599565 [0,0,0,1,0,0|2,0,0]=3 2068 B13R2.64 c1ccc(CN2CCCC2)cc1 Amb1829831 [0,0,0,1,0,0|2,0,0]=3 2069 B13R2.64 c1ccc(CN2CCCC2)nc1 Amb2889106 [0,0,0,1,0,0|3,0,0]=4 2070 B13R2.64 c1ccc(CN2CCCN2)nc1 Amb27475422 [0,0,0,1,0,0|3,0,0]=4 2071 B13R2.64 c1ccc(CN2CCNC2)cc1 Amb22494689 [0,0,0,1,0,0|3,0,0]=4 2072 B13R2.64 c1ccc(CN2CCOC2)cc1 Amb22229191 [0,0,0,1,0,0|3,0,0]=4 2073 B13R2.64 c1ccc(C[C@@H]2CCCN2)cc1 Amb19883945 [0,0,0,1,0,0|1,0,0]=2 2074 B13R2.64 c1ccc(C[C@@H]2CCCN2)cc1 Amb30586559 [0,0,0,1,0,0|1,0,0]=2 2075 B13R2.64 c1ccc(C[C@@H]2CCCN2)nc1 Amb27769995 [0,0,0,1,0,0|2,0,0]=3 2076 B13R2.64 c1ccc(C[C@@H]2CCNC2)nc1 Amb35825217 [0,0,0,1,0,0|3,0,0]=4 2077 B13R2.64 c1ccc(C[C@H]2CCCN2)cc1 Amb27160705 [0,0,0,1,0,0|1,0,0]=2 2078 B13R2.64 c1ccc(C[C@H]2CCCN2)cc1 Amb33877453 [0,0,0,1,0,0|1,0,0]=2 2079 B13R2.64 c1ccc(C[C@H]2CCCN2)nc1 Amb28319351 [0,0,0,1,0,0|2,0,0]=3 2080 B13R2.64 c1ccc(C[C@H]2CCNC2)nc1 Amb35825216 [0,0,0,1,0,0|3,0,0]=4 2081 B13R2.64 c1ccc(C[C@H]2COCN2)cc1 Amb27634861 [0,0,0,1,0,0|2,0,0]=3 2082 B13R2.64 c1ccc(C[S+]2CCCC2)cc1 Amb24730066 [0,0,0,1,0,0|2,0,0]=3 2083 B13R2.64 c1ccc(N=C2CCCC2)cc1 Amb27986023 [0,0,0,1,0,0|2,0,1]=4 2084 B13R2.64 c1ccc(NC2=NCCC2)cc1 Amb1286041 [0,0,0,1,0,0|2,0,1]=4 2085 B13R2.64 c1ccc(NC2=NCCO2)cc1 Amb25929780 [0,0,0,1,0,0|2,0,1]=4 2086 B13R2.64 c1ccc(NC2CCCC2)cc1 Amb33527378 [0,0,0,1,0,0|2,0,0]=3 2087 B13R2.64 c1ccc(NC2CCCC2)nc1 Amb6610845 [0,0,0,1,0,0|3,0,0]=4 2088 B13R2.64 c1ccc(NC2CCCO2)cc1 Amb27614715 [0,0,0,1,0,0|1,0,0]=2 2089 B13R2.64 c1ccc(NC2CCNC2)cc1 Amb9768320 [0,0,0,1,0,0|3,0,0]=4 2090 B13R2.64 c1ccc(NC2CCOC2)cc1 Amb25310936 [0,0,0,1,0,0|3,0,0]=4 2091 B13R2.64 c1ccc(NC2CCOC2)cc1 Amb32729444 [0,0,0,1,0,0|3,0,0]=4 2092 B13R2.64 c1ccc(NC2CCSC2)cc1 Amb6685079 [0,0,0,1,0,0|3,0,0]=4 2093 B13R2.64 c1ccc(OC2CCCC2)cc1 Amb17672970 [0,0,0,1,0,0|2,0,0]=3 2094 B13R2.64 c1ccc(OC2CCCC2)nc1 Amb26036595 [0,0,0,1,0,0|3,0,0]=4 2095 B13R2.64 c1ccc(OC2CCCO2)cc1 Amb22752483 [0,0,0,1,0,0|1,0,0]=2 2096 B13R2.64 c1ccc(OC2CCNC2)cc1 Amb21955028 [0,0,0,1,0,0|3,0,0]=4 2097 B13R2.64 c1ccc(OC2CCNC2)cc1 Amb33552314 [0,0,0,1,0,0|3,0,0]=4 2098 B13R2.64 c1ccc(OC2CCSC2)cc1 Amb35705130 [0,0,0,1,0,0|3,0,0]=4 2099 B13R2.64 c1ccc(O[C@@H]2CCNC2)cc1 Amb25048825 [0,0,0,1,0,0|3,0,0]=4 2100 B13R2.64 c1ccc(O[C@@H]2CCNC2)cc1 Amb30526957 [0,0,0,1,0,0|3,0,0]=4 2101 B13R2.64 c1ccc(O[C@H]2CCNC2)cc1 Amb26011960 [0,0,0,1,0,0|3,0,0]=4 2102 B13R2.64 c1ccc(O[C@H]2CCNC2)cc1 Amb30526964 [0,0,0,1,0,0|3,0,0]=4 2103 B13R2.64 c1ccc(SC2CCCC2)nc1 Amb27397434 [0,0,0,1,0,0|3,0,0]=4 2104 B13R2.64 c1ccc(SC2CCCO2)cc1 Amb28042934 [0,0,0,1,0,0|1,0,0]=2 2105 B13R2.64 c1ccc(SC2CCNC2)cc1 Amb17191396 [0,0,0,1,0,0|3,0,0]=4 2106 B13R2.64 c1ccc(SC2CCNC2)cc1 Amb35745750 [0,0,0,1,0,0|3,0,0]=4 2107 B13R2.64 c1cnc(CC2CCCN2)cn1 Amb33360027 [0,0,0,1,0,0|3,0,0]=4 2108 B13R2.64 c1cnc(CC2CCCN2)nc1 Amb27947554 [0,0,0,1,0,0|3,0,0]=4 2109 B13R2.64 c1cnc(SC2CCCO2)nc1 Amb28366169 [0,0,0,1,0,0|3,0,0]=4 2110 B13R2.64 c1cncc(CC2CCCN2)c1 Amb10068752 [0,0,0,1,0,0|2,0,0]=3 2111 B13R2.64 c1cncc(CC2CCCN2)c1 Amb8009507 [0,0,0,1,0,0|2,0,0]=3 2112 B13R2.64 c1cncc(CC2CCNC2)c1 Amb10808478 [0,0,0,1,0,0|3,0,0]=4 2113 B13R2.64 c1cncc(CC2CCNC2)c1 Amb33869822 [0,0,0,1,0,0|3,0,0]=4 2114 B13R2.64 c1cncc(CC2CCNC2)c1 Amb8009647 [0,0,0,1,0,0|3,0,0]=4 2115 B13R2.64 c1cncc(CN2CCCC2)c1 Amb31198117 [0,0,0,1,0,0|3,0,0]=4 2116 B13R2.64 c1cncc(CN2CCCC2)c1 Amb4552422 [0,0,0,1,0,0|3,0,0]=4 2117 B13R2.64 c1cncc(CN2CCCN2)c1 Amb28293136 [0,0,0,1,0,0|3,0,0]=4 2118 B13R2.64 c1cncc(NC2CCCC2)c1 Amb6686489 [0,0,0,1,0,0|3,0,0]=4 2119 B13R2.64 c1ncc(CC2CCCN2)cn1 Amb25336840 [0,0,0,1,0,0|3,0,0]=4 2120 B13R2.67 c1ccc2c(c1)CCCCCC2 Amb6359536 [0,0,0,1,0,0|1,0,0]=2 2121 B13R2.67 c1ccc2c(c1)CCCCCN2 Amb19148899 [0,0,0,1,0,0|1,0,0]=2 2122 B13R2.67 c1ccc2c(c1)CCCCCN2 Amb24665820 [0,0,0,1,0,0|1,0,0]=2 2123 B13R2.67 c1ccc2c(c1)CCCCCS2 Amb27608014 [0,0,0,1,0,0|0,1,0]=2 2124 B13R2.67 c1ccc2c(c1)CCCCNC2 Amb27616673 [0,0,0,1,0,0|2,0,0]=3 2125 B13R2.67 c1ccc2c(c1)CCCNCC2 Amb28246443 [0,0,0,1,0,0|2,0,0]=3 2126 B13R2.67 c1ccc2c(c1)CNCCCN2 Amb24183951 [0,0,0,1,0,0|2,0,0]=3 2127 B13R2.67 c1ccc2c(c1)CNCCCO2 Amb5750868 [0,0,0,1,0,0|1,0,0]=2 2128 B13R2.67 c1ccc2c(c1)NCCCCN2 Amb10606982 [0,0,0,1,0,0|2,0,0]=3 2129 B13R2.67 c1ccc2c(c1)NCCCCS2 Amb27407135 [0,0,0,1,0,0|1,1,0]=3 2130 B13R2.67 c1cnc2c(c1)CCCCCC2 Amb27212795 [0,0,0,1,0,0|2,0,0]=3 2131 B13R2.67 c1cnc2c(c1)CNCCCN2 Amb27165837 [0,0,0,1,0,0|3,0,0]=4 2132 B13R2.1028 CCCCC1Cc2ccccc21 Amb17758498 [0,0,0,1,0,0|1,0,0]=2 2133 B13R2.1028 CCCNC1Cc2ccccc21 Amb27752888 [0,0,0,1,0,0|2,0,0]=3 2134 B13R2.1028 CCNCC1Cc2ccccc21 Amb18289168 [0,0,0,1,0,0|2,0,0]=3 2135 B13R2.1028 O=CNCC1Cc2ccccc21 Amb28045219 [0,0,0,1,0,0|1,0,2]=4 2136 B13R2.1028 OCCOC1Cc2ccccc21 Amb27587566 [0,0,0,1,0,0|1,0,0]=2 2137 B13R2.1028 OCC\C=C1\Cc2ccccc21 Amb27833650 [0,0,0,1,0,0|0,0,2]=3 2138 B13R2.1028 S=C=NCC1Cc2ccccc21 Amb27263289 [0,0,0,1,0,0|1,1,1]=4 2139 B13R2.1613 BrCC1=CCCc2ccccc21 Amb27178526 [0,0,0,1,0,0|1,0,2]=4 2140 B13R2.1613 BrCC1CCCc2ccccc21 Amb19514960 [0,0,0,1,0,0|1,0,0]=2 2141 B13R2.1613 BrCC1CCNc2ccccc21 Amb27959101 [0,0,0,1,0,0|2,0,0]=3 2142 B13R2.1613 BrCC1NCCc2ccccc21 Amb8631542 [0,0,0,1,0,0|2,0,0]=3 2143 B13R2.1613 BrCC1OCCc2ccccc21 Amb19373964 [0,0,0,1,0,0|2,0,0]=3 2144 B13R2.1613 C#CC1CCCc2ccccc21 Amb33379631 [0,0,0,1,0,0|1,0,1]=3 2145 B13R2.1613 C#CC1NCCc2ccccc21 Amb27392170 [0,0,0,1,0,0|2,0,1]=4 2146 B13R2.1613 C=CC1CCCc2ccccc21 Amb33358312 [0,0,0,1,0,0|1,0,1]=3 2147 B13R2.1613 C=CC1NCCc2ccccc21 Amb17232305 [0,0,0,1,0,0|2,0,1]=4 2148 B13R2.1613 C=C[C@H]1CNCc2ccccc21 Amb27616675 [0,0,0,1,0,0|2,0,1]=4 2149 B13R2.1613 CCC1=NCCc2ccccc21 Amb25035624 [0,0,0,1,0,0|2,0,1]=4 2150 B13R2.1613 CCC1CCCc2ncccc21 Amb33328510 [0,0,0,1,0,0|2,0,0]=3 2151 B13R2.1613 CCC1CCNc2ccccc21 Amb18829886 [0,0,0,1,0,0|2,0,0]=3 2152 B13R2.1613 CCC1CCNc2ccccc21 Amb29083418 [0,0,0,1,0,0|2,0,0]=3 2153 B13R2.1613 CCC1CNCc2ccccc21 Amb2606133 [0,0,0,1,0,0|2,0,0]=3 2154 B13R2.1613 CCC1NCCc2ccccc21 Amb19308514 [0,0,0,1,0,0|2,0,0]=3 2155 B13R2.1613 CCC1NCCc2ccccc21 Amb5735599 [0,0,0,1,0,0|2,0,0]=3 2156 B13R2.1613 CCN1CCNc2ccccc21 Amb17468321 [0,0,0,1,0,0|3,0,0]=4 2157 B13R2.1613 CCN1CCOc2ccccc21 Amb27664113 [0,0,0,1,0,0|3,0,0]=4 2158 B13R2.1613 CCN1CCSc2ccccc21 Amb25353669 [0,0,0,1,0,0|3,0,0]=4 2159 B13R2.1613 CNC1CCCc2ccccc21 Amb6892384 [0,0,0,1,0,0|2,0,0]=3 2160 B13R2.1613 CNC1CCCc2ccccc21 Amb9703046 [0,0,0,1,0,0|2,0,0]=3 2161 B13R2.1613 CNC1CCCc2cccnc21 Amb33548214 [0,0,0,1,0,0|3,0,0]=4 2162 B13R2.1613 CNC1CCCc2ccncc21 Amb27259414 [0,0,0,1,0,0|3,0,0]=4 2163 B13R2.1613 CNC1CCCc2ncccc21 Amb27213238 [0,0,0,1,0,0|3,0,0]=4 2164 B13R2.1613 CNC1CSCc2ccccc21 Amb9620986 [0,0,0,1,0,0|3,0,0]=4 2165 B13R2.1613 CNC1OCCc2ccccc21 Amb27462176 [0,0,0,1,0,0|3,0,0]=4 2166 B13R2.1613 CN[C@@H]1CCCc2ccccc21 Amb20241467 [0,0,0,1,0,0|2,0,0]=3 2167 B13R2.1613 CN[C@@H]1CCCc2cccnc21 Amb27666992 [0,0,0,1,0,0|3,0,0]=4 2168 B13R2.1613 CN[C@H]1CCCc2cccnc21 Amb27647580 [0,0,0,1,0,0|3,0,0]=4 2169 B13R2.1613 COC1CCCc2ccccc21 Amb2228261 [0,0,0,1,0,0|2,0,0]=3 2170 B13R2.1613 COC1CCNc2ccccc21 Amb18062248 [0,0,0,1,0,0|3,0,0]=4 2171 B13R2.1613 COC1CNCc2ccccc21 Amb32410200 [0,0,0,1,0,0|3,0,0]=4 2172 B13R2.1613 COC1OCCc2ccccc21 Amb22284603 [0,0,0,1,0,0|3,0,0]=4 2173 B13R2.1613 CSC1CCSc2ccccc21 Amb27432422 [0,0,0,1,0,0|3,0,0]=4 2174 B13R2.1613 ClCC1=CCCc2ccccc21 Amb28423479 [0,0,0,1,0,0|1,0,2]=4 2175 B13R2.1613 ClCC1=NCCc2ccccc21 Amb17506200 [0,0,0,1,0,0|2,0,1]=4 2176 B13R2.1613 ClCC1=NCCc2ccccc21 Amb506434 [0,0,0,1,0,0|2,0,1]=4 2177 B13R2.1613 ClCC1CCCc2ccccc21 Amb18184969 [0,0,0,1,0,0|1,0,0]=2 2178 B13R2.1613 ClCC1COCc2ccccc21 Amb27409444 [0,0,0,1,0,0|2,0,0]=3 2179 B13R2.1613 ClCC1NCCc2ccccc21 Amb17506196 [0,0,0,1,0,0|2,0,0]=3 2180 B13R2.1613 ClCC1NCCc2ccccc21 Amb17506197 [0,0,0,1,0,0|2,0,0]=3 2181 B13R2.1613 ClCC1OCCc2ccccc21 Amb25238351 [0,0,0,1,0,0|2,0,0]=3 2182 B13R2.1613 ClCC1SCCc2ccccc21 Amb27478088 [0,0,0,1,0,0|2,0,0]=3 2183 B13R2.1613 ClNC1CCCc2ccccc21 Amb27164504 [0,0,0,1,0,0|2,0,0]=3 2184 B13R2.1613 FCC1NCCc2ccccc21 Amb27495542 [0,0,0,1,0,0|2,0,0]=3 2185 B13R2.1613 ICC1CCCc2ccccc21 Amb27263349 [0,0,0,1,0,0|1,0,0]=2 2186 B13R2.1613 ICC1OCCc2ccccc21 Amb27769994 [0,0,0,1,0,0|2,0,0]=3 2187 B13R2.1613 N#CC1CCCc2ccccc21 Amb6892326 [0,0,0,1,0,0|1,0,1]=3 2188 B13R2.1613 N#CC1CCCc2cccnc21 Amb18645076 [0,0,0,1,0,0|2,0,1]=4 2189 B13R2.1613 N#CC1CCCc2cccnc21 Amb30584906 [0,0,0,1,0,0|2,0,1]=4 2190 B13R2.1613 N#CC1CCCc2cnccc21 Amb27977729 [0,0,0,1,0,0|2,0,1]=4 2191 B13R2.1613 N#CC1CCNc2ccccc21 Amb24563442 [0,0,0,1,0,0|2,0,1]=4 2192 B13R2.1613 N#CC1CCOc2ccccc21 Amb8950057 [0,0,0,1,0,0|2,0,1]=4 2193 B13R2.1613 N#CC1CCSc2ccccc21 Amb18647919 [0,0,0,1,0,0|2,0,1]=4 2194 B13R2.1613 N#CC1OCCc2ccccc21 Amb4084976 [0,0,0,1,0,0|2,0,1]=4 2195 B13R2.1613 N#CC1SCCc2ccccc21 Amb25800376 [0,0,0,1,0,0|2,0,1]=4 2196 B13R2.1613 N#CN1CCCc2ccccc21 Amb27416687 [0,0,0,1,0,0|2,0,1]=4 2197 B13R2.1613 NCC1=CCCc2ccccc21 Amb2699521 [0,0,0,1,0,0|1,0,2]=4 2198 B13R2.1613 NCC1=NCCc2ccccc21 Amb29848147 [0,0,0,1,0,0|2,0,1]=4 2199 B13R2.1613 NCC1CCCc2ccccc21 Amb22749479 [0,0,0,1,0,0|1,0,0]=2 2200 B13R2.1613 NCC1CCCc2ccccc21 Amb6892360 [0,0,0,1,0,0|1,0,0]=2 2201 B13R2.1613 NCC1CCCc2cccnc21 Amb25892271 [0,0,0,1,0,0|2,0,0]=3 2202 B13R2.1613 NCC1CCCc2cccnc21 Amb33535148 [0,0,0,1,0,0|2,0,0]=3 2203 B13R2.1613 NCC1CCCc2ccncc21 Amb27463627 [0,0,0,1,0,0|2,0,0]=3 2204 B13R2.1613 NCC1CCCc2ncccc21 Amb27463628 [0,0,0,1,0,0|2,0,0]=3 2205 B13R2.1613 NCC1CCNc2ccccc21 Amb18560249 [0,0,0,1,0,0|2,0,0]=3 2206 B13R2.1613 NCC1CCNc2ccccc21 Amb32661791 [0,0,0,1,0,0|2,0,0]=3 2207 B13R2.1613 NCC1CCOc2ccccc21 Amb33528302 [0,0,0,1,0,0|2,0,0]=3 2208 B13R2.1613 NCC1CCSc2ccccc21 Amb18824588 [0,0,0,1,0,0|2,0,0]=3 2209 B13R2.1613 NCC1CNCc2ccccc21 Amb17400116 [0,0,0,1,0,0|2,0,0]=3 2210 B13R2.1613 NCC1CNCc2ccccc21 Amb32667713 [0,0,0,1,0,0|2,0,0]=3 2211 B13R2.1613 NCC1COCc2ccccc21 Amb27828233 [0,0,0,1,0,0|2,0,0]=3 2212 B13R2.1613 NCC1COCc2ccccc21 Amb33743519 [0,0,0,1,0,0|2,0,0]=3 2213 B13R2.1613 NCC1NCCc2ccccc21 Amb10068079 [0,0,0,1,0,0|2,0,0]=3 2214 B13R2.1613 NCC1NCCc2ccccc21 Amb1033009 [0,0,0,1,0,0|2,0,0]=3 2215 B13R2.1613 NCC1NCCc2ccccc21 Amb17777905 [0,0,0,1,0,0|2,0,0]=3 2216 B13R2.1613 NCC1NCCc2ccccc21 Amb17777906 [0,0,0,1,0,0|2,0,0]=3 2217 B13R2.1613 NCC1OCCc2ccccc21 Amb4241964 [0,0,0,1,0,0|2,0,0]=3 2218 B13R2.1613 NCC1OCCc2ccccc21 Amb6565445 [0,0,0,1,0,0|2,0,0]=3 2219 B13R2.1613 NCC1SCCc2ccccc21 Amb18648291 [0,0,0,1,0,0|2,0,0]=3 2220 B13R2.1613 NNC1CCCc2ccccc21 Amb6278687 [0,0,0,1,0,0|2,0,0]=3 2221 B13R2.1613 NNC1CCOc2ccccc21 Amb6251407 [0,0,0,1,0,0|3,0,0]=4 2222 B13R2.1613 NNC1NCCc2ccccc21 Amb27178450 [0,0,0,1,0,0|3,0,0]=4 2223 B13R2.1613 N\N=C1\CCCc2ccccc21 Amb27664746 [0,0,0,1,0,0|2,0,1]=4 2224 B13R2.1613 O=CC1CCCc2ccccc21 Amb18787961 [0,0,0,1,0,0|0,0,2]=3 2225 B13R2.1613 O=CC1CCOc2ccccc21 Amb20622857 [0,0,0,1,0,0|1,0,2]=4 2226 B13R2.1613 O=CC1COCc2ccccc21 Amb25992611 [0,0,0,1,0,0|1,0,2]=4 2227 B13R2.1613 O=CC1NCCc2ccccc21 Amb28125733 [0,0,0,1,0,0|1,0,2]=4 2228 B13R2.1613 O=CC1OCCc2ccccc21 Amb18645642 [0,0,0,1,0,0|1,0,2]=4 2229 B13R2.1613 O=CN1CCCc2ccccc21 Amb2701277 [0,0,0,1,0,0|1,0,2]=4 2230 B13R2.1613 O=C[C@H]1OCCc2ccccc21 Amb28144164 [0,0,0,1,0,0|1,0,2]=4 2231 B13R2.1613 OCC1=CCOc2ccccc21 Amb28292189 [0,0,0,1,0,0|1,0,2]=4 2232 B13R2.1613 OCC1=CNCc2ccccc21 Amb27228922 [0,0,0,1,0,0|1,0,2]=4 2233 B13R2.1613 OCC1CCCc2ccccc21 Amb18798135 [0,0,0,1,0,0|0,0,0]=1 2234 B13R2.1613 OCC1CCCc2cccnc21 Amb24691669 [0,0,0,1,0,0|1,0,0]=2 2235 B13R2.1613 OCC1CCCc2nccnc21 Amb28066748 [0,0,0,1,0,0|2,0,0]=3 2236 B13R2.1613 OCC1CCNc2ccccc21 Amb24756520 [0,0,0,1,0,0|1,0,0]=2 2237 B13R2.1613 OCC1CCOc2ccccc21 Amb27250372 [0,0,0,1,0,0|1,0,0]=2 2238 B13R2.1613 OCC1CCSc2ccccc21 Amb28248803 [0,0,0,1,0,0|1,0,0]=2 2239 B13R2.1613 OCC1CNCc2ccccc21 Amb24468799 [0,0,0,1,0,0|1,0,0]=2 2240 B13R2.1613 OCC1COCc2ccccc21 Amb27652931 [0,0,0,1,0,0|1,0,0]=2 2241 B13R2.1613 OCC1NCCc2ccccc21 Amb20667766 [0,0,0,1,0,0|1,0,0]=2 2242 B13R2.1613 OCC1OCCc2ccccc21 Amb1094003 [0,0,0,1,0,0|1,0,0]=2 2243 B13R2.1613 OC[C@H]1CCCc2ccccc21 Amb27981718 [0,0,0,1,0,0|0,0,0]=1 2244 B13R2.1613 ONC1CCOc2ccccc21 Amb28289239 [0,0,0,1,0,0|2,0,0]=3 2245 B13R2.1613 O\N=C1/CCCc2ccccc21 Amb22727930 [0,0,0,1,0,0|1,0,1]=3 2246 B13R2.1613 O\N=C1/CCCc2cccnc21 Amb33989572 [0,0,0,1,0,0|2,0,1]=4 2247 B13R2.1613 O\N=C1/CCCc2cnccc21 Amb23412278 [0,0,0,1,0,0|2,0,1]=4 2248 B13R2.1613 O\N=C1/CCNc2ccccc21 Amb27240399 [0,0,0,1,0,0|2,0,1]=4 2249 B13R2.1613 O\N=C1/CCOc2ccccc21 Amb19372590 [0,0,0,1,0,0|2,0,1]=4 2250 B13R2.1613 O\N=C1/CCOc2ccccc21 Amb33715894 [0,0,0,1,0,0|2,0,1]=4 2251 B13R2.1613 O\N=C1/CCSc2ccccc21 Amb22366070 [0,0,0,1,0,0|2,0,1]=4 2252 B13R2.1613 O\N=C1\CCCc2ccccc21 Amb6296018 [0,0,0,1,0,0|1,0,1]=3 2253 B13R2.1613 O\N=C1\CCCc2ncccc21 Amb27816782 [0,0,0,1,0,0|2,0,1]=4 2254 B13R2.1613 O\N=C1\CCOc2ccccc21 Amb26409966 [0,0,0,1,0,0|2,0,1]=4 2255 B13R2.1613 O\N=C1\CSCc2ccccc21 Amb27426833 [0,0,0,1,0,0|2,0,1]=4 2256 B13R2.1613 O\N=[N+]1/CCCc2ccccc21 Amb2609849 [0,0,0,1,0,0|2,0,0]=3 2257 B13R2.1613 SCC1CCCc2ccccc21 Amb26073521 [0,0,0,1,0,0|0,1,0]=2 2258 B13R2.1613 SCC1OCCc2ccccc21 Amb25152461 [0,0,0,1,0,0|1,1,0]=3 2259 B13R2.1613 [C-]#[N+]C1CCCc2ccccc21 Amb2235814 [0,0,0,1,0,0|2,0,0]=3 2260 B13R2.1613 [C-]#[N+][C@@H]1CCCc2ccccc21 Amb19944624 [0,0,0,1,0,0|2,0,0]=3 2261 B13R2.1613 [NH3+]CC1NCCc2ccccc21 Amb17777904 [0,0,0,1,0,0|2,0,0]=3 2262 B13R2.1613 [NH3+]CC1OCCc2ccccc21 Amb5363177 [0,0,0,1,0,0|2,0,0]=3 2263 B13R2.2382 C(=C\c1ccccc1)/CC2CO2 Amb33080785 [0,0,0,1,0,0|0,0,2]=3 2264 B13R2.2382 c1cc(CCNC2CC2)ccn1 Amb22408725 [0,0,0,1,0,0|3,0,0]=4 2265 B13R2.2382 c1cc(CCNC2CC2)ccn1 Amb7089101 [0,0,0,1,0,0|3,0,0]=4 2266 B13R2.2382 c1cc(CNCC2CC2)ccn1 Amb6686740 [0,0,0,1,0,0|3,0,0]=4 2267 B13R2.2382 c1ccc(CCCC2CO2)cc1 Amb32952083 [0,0,0,1,0,0|0,0,0]=1 2268 B13R2.2382 c1ccc(CCNC2CC2)cc1 Amb1130653 [0,0,0,1,0,0|2,0,0]=3 2269 B13R2.2382 c1ccc(CCNC2CC2)cc1 Amb2119838 [0,0,0,1,0,0|2,0,0]=3 2270 B13R2.2382 c1ccc(CCNC2CC2)nc1 Amb19004786 [0,0,0,1,0,0|3,0,0]=4 2271 B13R2.2382 c1ccc(CNCC2CC2)cc1 Amb24077486 [0,0,0,1,0,0|2,0,0]=3 2272 B13R2.2382 c1ccc(CNCC2CC2)cc1 Amb6336163 [0,0,0,1,0,0|2,0,0]=3 2273 B13R2.2382 c1ccc(CNCC2CC2)nc1 Amb2592507 [0,0,0,1,0,0|3,0,0]=4 2274 B13R2.2382 c1ccc(COCC2CO2)cc1 Amb1152968 [0,0,0,1,0,0|1,0,0]=2 2275 B13R2.2382 c1ccc(COC[C@@H]2CO2)cc1 Amb8387156 [0,0,0,1,0,0|1,0,0]=2 2276 B13R2.2382 c1ccc(COC[C@H]2CO2)cc1 Amb6357200 [0,0,0,1,0,0|1,0,0]=2 2277 B13R2.2382 c1ccc(OCCC2CO2)cc1 Amb33082993 [0,0,0,1,0,0|1,0,0]=2 2278 B13R2.2382 c1ccc(OCC[C@@H]2CO2)cc1 Amb33080555 [0,0,0,1,0,0|1,0,0]=2 2279 B13R2.2382 c1ccc(OCC[C@H]2CO2)cc1 Amb33481809 [0,0,0,1,0,0|1,0,0]=2 2280 B13R2.2382 c1cncc(CNCC2CC2)c1 Amb6686734 [0,0,0,1,0,0|3,0,0]=4 2281 B13R2.2383 C(=C\C1CCN1)/c2ccccc2 Amb32954170 [0,0,0,1,0,0|1,0,2]=4 2282 B13R2.2383 c1cc(SCC2CCC2)ccn1 Amb27835781 [0,0,0,1,0,0|3,0,0]=4 2283 B13R2.2383 c1ccc(CCC2CCN2)cc1 Amb26353890 [0,0,0,1,0,0|1,0,0]=2 2284 B13R2.2383 c1ccc(CCC2CNC2)cc1 Amb25266065 [0,0,0,1,0,0|2,0,0]=3 2285 B13R2.2383 c1ccc(CCC2CNC2)nc1 Amb35825200 [0,0,0,1,0,0|3,0,0]=4 2286 B13R2.2383 c1ccc(CNC2CCC2)cc1 Amb18989317 [0,0,0,1,0,0|2,0,0]=3 2287 B13R2.2383 c1ccc(CNC2CCC2)cc1 Amb19944580 [0,0,0,1,0,0|2,0,0]=3 2288 B13R2.2383 c1ccc(CNC2COC2)cc1 Amb22586474 [0,0,0,1,0,0|3,0,0]=4 2289 B13R2.2383 c1ccc(CNC2COC2)cc1 Amb22899641 [0,0,0,1,0,0|3,0,0]=4 2290 B13R2.2383 c1ccc(CNC2CSC2)cc1 Amb27426785 [0,0,0,1,0,0|3,0,0]=4 2291 B13R2.2383 c1ccc(COC2CNC2)cc1 Amb17622249 [0,0,0,1,0,0|3,0,0]=4 2292 B13R2.2383 c1ccc(COC2CNC2)cc1 Amb9901995 [0,0,0,1,0,0|3,0,0]=4 2293 B13R2.2383 c1ccc(COC2COC2)cc1 Amb27616758 [0,0,0,1,0,0|3,0,0]=4 2294 B13R2.2383 c1ccc(CSC2CNC2)cc1 Amb18804958 [0,0,0,1,0,0|3,0,0]=4 2295 B13R2.2383 c1ccc(CSC2COC2)cc1 Amb27198300 [0,0,0,1,0,0|3,0,0]=4 2296 B13R2.2383 c1ccc(NCC2CCC2)cc1 Amb4313901 [0,0,0,1,0,0|2,0,0]=3 2297 B13R2.2383 c1ccc(NCC2CNC2)cc1 Amb27811002 [0,0,0,1,0,0|3,0,0]=4 2298 B13R2.2383 c1ccc(OCC2CCC2)cc1 Amb28061157 [0,0,0,1,0,0|2,0,0]=3 2299 B13R2.2383 c1ccc(OCC2CCC2)nc1 Amb25120785 [0,0,0,1,0,0|3,0,0]=4 2300 B13R2.2383 c1ccc(OCC2CNC2)cc1 Amb24726313 [0,0,0,1,0,0|3,0,0]=4 2301 B13R2.2383 c1ccc(OCC2CNC2)cc1 Amb28994527 [0,0,0,1,0,0|3,0,0]=4 2302 B13R2.2383 c1ccc(OCN2CCC2)cc1 Amb27247319 [0,0,0,1,0,0|3,0,0]=4 2303 B13R2.2383 c1ccc(SCC2CNC2)cc1 Amb22642550 [0,0,0,1,0,0|3,0,0]=4 2304 B13R2.2383 c1ccc(SCC2CNC2)cc1 Amb32662129 [0,0,0,1,0,0|3,0,0]=4 2305 B13R2.2383 c1cncc(NCC2CCC2)c1 Amb27754849 [0,0,0,1,0,0|3,0,0]=4 2306 B13R2.2383 c1cncc(OC[C@@H]2CCN2)c1 Amb33802113 [0,0,0,1,0,0|3,0,0]=4 2307 B13R2.5252 BrC1CCCCc2ccccc21 Amb8835407 [0,0,0,1,0,0|1,0,0]=2 2308 B13R2.5252 C=C1CCCCc2ccccc21 Amb23400875 [0,0,0,1,0,0|1,0,1]=3 2309 B13R2.5252 C=C1CCCOc2ccccc21 Amb19316319 [0,0,0,1,0,0|2,0,1]=4 2310 B13R2.5252 CC1=CCCCc2ccccc21 Amb27986008 [0,0,0,1,0,0|1,0,2]=4 2311 B13R2.5252 CC1CCCNc2ccccc21 Amb25764580 [0,0,0,1,0,0|2,0,0]=3 2312 B13R2.5252 CC1CNCCc2ccccc21 Amb24728196 [0,0,0,1,0,0|2,0,0]=3 2313 B13R2.5252 CC1NCCCc2ccccc21 Amb25685960 [0,0,0,1,0,0|2,0,0]=3 2314 B13R2.5252 CC1NCCCc2ncccc21 Amb33456263 [0,0,0,1,0,0|3,0,0]=4 2315 B13R2.5252 CC1NCCOc2ccccc21 Amb10609534 [0,0,0,1,0,0|3,0,0]=4 2316 B13R2.5252 CC1NCCOc2ccccc21 Amb5750850 [0,0,0,1,0,0|3,0,0]=4 2317 B13R2.5252 CC1NCCSc2ccccc21 Amb27636169 [0,0,0,1,0,0|3,0,0]=4 2318 B13R2.5252 CN1CCCCc2ccccc21 Amb6359492 [0,0,0,1,0,0|2,0,0]=3 2319 B13R2.5252 CN1CCCNc2ccccc21 Amb17617816 [0,0,0,1,0,0|3,0,0]=4 2320 B13R2.5252 CN1CCCSc2ccccc21 Amb28063535 [0,0,0,1,0,0|3,0,0]=4 2321 B13R2.5252 CN1CCNCc2ccccc21 Amb18047038 [0,0,0,1,0,0|3,0,0]=4 2322 B13R2.5252 C[C@@H]1CNCCc2ccccc21 Amb25760828 [0,0,0,1,0,0|2,0,0]=3 2323 B13R2.5252 C[C@H]1CNCCc2ccccc21 Amb27616776 [0,0,0,1,0,0|2,0,0]=3 2324 B13R2.5252 ClC1CCCCc2ccccc21 Amb7766813 [0,0,0,1,0,0|1,0,0]=2 2325 B13R2.5252 ClC1CCCCc2cccnc21 Amb27243122 [0,0,0,1,0,0|2,0,0]=3 2326 B13R2.5252 ClC1CCCSc2ccccc21 Amb27233569 [0,0,0,1,0,0|2,0,0]=3 2327 B13R2.5252 NC1CCCCc2ccccc21 Amb1113859 [0,0,0,1,0,0|1,0,0]=2 2328 B13R2.5252 NC1CCCCc2cccnc21 Amb22499725 [0,0,0,1,0,0|2,0,0]=3 2329 B13R2.5252 NC1CCCNc2ccccc21 Amb22228244 [0,0,0,1,0,0|2,0,0]=3 2330 B13R2.5252 NC1CCCOc2ccccc21 Amb22039480 [0,0,0,1,0,0|2,0,0]=3 2331 B13R2.5252 NC1CCCOc2ccccc21 Amb8843614 [0,0,0,1,0,0|2,0,0]=3 2332 B13R2.5252 NC1CNCCc2ccccc21 Amb25759447 [0,0,0,1,0,0|2,0,0]=3 2333 B13R2.5252 NC1CNCCc2ccccc21 Amb33803137 [0,0,0,1,0,0|2,0,0]=3 2334 B13R2.5252 N[C@@H]1CCCNc2ccccc21 Amb22232856 [0,0,0,1,0,0|2,0,0]=3 2335 B13R2.5252 N[C@@H]1CCSCc2ccccc21 Amb28187807 [0,0,0,1,0,0|2,0,0]=3 2336 B13R2.5252 N[C@H]1CCCCc2ccccc21 Amb24674187 [0,0,0,1,0,0|1,0,0]=2 2337 B13R2.5252 N[C@H]1CCCNc2ccccc21 Amb25340381 [0,0,0,1,0,0|2,0,0]=3 2338 B13R2.5252 O=C1CCCCc2ccccc21 Amb1208402 [0,0,0,1,0,0|0,0,2]=3 2339 B13R2.5252 O=C1CCCNc2ccccc21 Amb2690546 [0,0,0,1,0,0|1,0,2]=4 2340 B13R2.5252 O=C1CCCOc2ccccc21 Amb33545871 [0,0,0,1,0,0|1,0,2]=4 2341 B13R2.5252 O=C1CCCSc2ccccc21 Amb33545887 [0,0,0,1,0,0|1,0,2]=4 2342 B13R2.5252 O=C1CCNCc2ccccc21 Amb22499160 [0,0,0,1,0,0|1,0,2]=4 2343 B13R2.5252 O=C1CCNCc2ccccc21 Amb32405167 [0,0,0,1,0,0|1,0,2]=4 2344 B13R2.5252 O=C1CCSCc2ccccc21 Amb27177930 [0,0,0,1,0,0|1,0,2]=4 2345 B13R2.5252 O=C1CNCCc2ccccc21 Amb27389469 [0,0,0,1,0,0|1,0,2]=4 2346 B13R2.5252 O=C1CSCCc2ccccc21 Amb20668935 [0,0,0,1,0,0|1,0,2]=4 2347 B13R2.5252 O=C1NCCCc2ccccc21 Amb33544472 [0,0,0,1,0,0|1,0,2]=4 2348 B13R2.5252 O=S1CCCNc2ccccc21 Amb19337771 [0,0,0,1,0,0|2,0,1]=4 2349 B13R2.5252 OC1C=CCCc2ccccc21 Amb27766632 [0,0,0,1,0,0|0,0,2]=3 2350 B13R2.5252 OC1C=CCNc2ccccc21 Amb27770033 [0,0,0,1,0,0|1,0,2]=4 2351 B13R2.5252 OC1C=CCSc2ccccc21 Amb27593954 [0,0,0,1,0,0|1,0,2]=4 2352 B13R2.5252 OC1CC=CCc2ccccc21 Amb27456591 [0,0,0,1,0,0|0,0,2]=3 2353 B13R2.5252 OC1CC=CSc2ccccc21 Amb27757393 [0,0,0,1,0,0|1,0,2]=4 2354 B13R2.5252 OC1CCC=Cc2ccccc21 Amb27220246 [0,0,0,1,0,0|0,0,2]=3 2355 B13R2.5252 OC1CCCCc2ccccc21 Amb9703920 [0,0,0,1,0,0|0,0,0]=1 2356 B13R2.5252 OC1CCCNc2ccccc21 Amb25148561 [0,0,0,1,0,0|1,0,0]=2 2357 B13R2.5252 OC1CCCOc2ccccc21 Amb17578185 [0,0,0,1,0,0|1,0,0]=2 2358 B13R2.5252 OC1CCCSc2ccccc21 Amb2413585 [0,0,0,1,0,0|1,0,0]=2 2359 B13R2.5252 OC1CCNCc2ccccc21 Amb24378329 [0,0,0,1,0,0|1,0,0]=2 2360 B13R2.5252 OC1CNCCc2ccccc21 Amb26936044 [0,0,0,1,0,0|1,0,0]=2 2361 B13R2.5252 O[C@@H]1CCCOc2ccccc21 Amb25093048 [0,0,0,1,0,0|1,0,0]=2 2362 B13R2.5252 O[C@@H]1CCCSc2ccccc21 Amb26859091 [0,0,0,1,0,0|1,0,0]=2 2363 B13R2.5252 O[C@H]1CCCCc2ccccc21 Amb26372428 [0,0,0,1,0,0|0,0,0]=1 2364 B13R2.5252 O[C@H]1CCCNc2ccccc21 Amb27797120 [0,0,0,1,0,0|1,0,0]=2 2365 B13R2.5252 O[C@H]1CCCOc2ccccc21 Amb26841182 [0,0,0,1,0,0|1,0,0]=2 2366 B13R2.5252 O[C@H]1CCCSc2ccccc21 Amb25076028 [0,0,0,1,0,0|1,0,0]=2 2367 B13R2.5252 SC1CCCCc2ccccc21 Amb7784721 [0,0,0,1,0,0|0,1,0]=2 2368 B13R2.5252 SC1CCNCc2ccccc21 Amb32788488 [0,0,0,1,0,0|1,1,0]=3 2369 B13R2.8001 C1=CC2(C=CN1)CCCCCC2 Amb28396660 [0,0,0,1,0,0|2,0,1]=4 2370 B11R1.4 BrCCCCCc1ccsc1 Amb33009453 [0,0,0,0,1,0|2,0,0]=3 2371 B11R1.4 BrCCCCCn1cccn1 Amb33005069 [0,0,0,0,1,0|3,0,0]=4 2372 B11R1.4 C#CCCCCc1ccsc1 Amb33320901 [0,0,0,0,1,0|2,0,1]=4 2373 B11R1.4 CCCCCCc1cccs1 Amb6358035 [0,0,0,0,1,0|2,0,0]=3 2374 B11R1.4 CCCCCCc1ccsc1 Amb2696630 [0,0,0,0,1,0|2,0,0]=3 2375 B11R1.4 CCCCCCn1ccnc1 Amb10574355 [0,0,0,0,1,0|3,0,0]=4 2376 B11R1.4 CCCCNCc1ccco1 Amb1140392 [0,0,0,0,1,0|3,0,0]=4 2377 B11R1.4 CCCCNCc1ccco1 Amb6867989 [0,0,0,0,1,0|3,0,0]=4 2378 B11R1.4 CCCCNCc1cccs1 Amb20673561 [0,0,0,0,1,0|3,0,0]=4 2379 B11R1.4 CCCCNCc1cccs1 Amb534495 [0,0,0,0,1,0|3,0,0]=4 2380 B11R1.4 CCCCNCc1ccoc1 Amb18179480 [0,0,0,0,1,0|3,0,0]=4 2381 B11R1.4 CCCCNCc1ccsc1 Amb5262468 [0,0,0,0,1,0|3,0,0]=4 2382 B11R1.4 CCCCNCc1ccsc1 Amb6868332 [0,0,0,0,1,0|3,0,0]=4 2383 B11R1.4 CCCCOCc1ccco1 Amb24054478 [0,0,0,0,1,0|3,0,0]=4 2384 B11R1.4 CCCNCCc1cccs1 Amb33534035 [0,0,0,0,1,0|3,0,0]=4 2385 B11R1.4 CNCCCCc1ccsc1 Amb33449244 [0,0,0,0,1,0|3,0,0]=4 2386 B11R1.4 ClCCCCCc1cccs1 Amb1102003 [0,0,0,0,1,0|2,0,0]=3 2387 B11R1.4 ClCCCCCn1cccn1 Amb19373078 [0,0,0,0,1,0|3,0,0]=4 2388 B11R1.4 ClCCCCCn1ccnc1 Amb9001518 [0,0,0,0,1,0|3,0,0]=4 2389 B11R1.4 ClCCCNCc1ccco1 Amb20573428 [0,0,0,0,1,0|3,0,0]=4 2390 B11R1.4 N#CCCCCc1cccs1 Amb18862653 [0,0,0,0,1,0|2,0,1]=4 2391 B11R1.4 N#CCCCCc1ccsc1 Amb33322016 [0,0,0,0,1,0|2,0,1]=4 2392 B11R1.4 NCCCCCc1ccsc1 Amb33079652 [0,0,0,0,1,0|2,0,0]=3 2393 B11R1.4 NCCCCCn1cccn1 Amb18179495 [0,0,0,0,1,0|3,0,0]=4 2394 B11R1.4 NCCCCCn1ccnc1 Amb5357875 [0,0,0,0,1,0|3,0,0]=4 2395 B11R1.4 NCCCNCc1ccco1 Amb17315268 [0,0,0,0,1,0|3,0,0]=4 2396 B11R1.4 NCCCOCc1ccco1 Amb1154610 [0,0,0,0,1,0|3,0,0]=4 2397 B11R1.4 NCCCSCc1ccco1 Amb21984189 [0,0,0,0,1,0|3,0,0]=4 2398 B11R1.4 NCCCSCc1ccco1 Amb9203028 [0,0,0,0,1,0|3,0,0]=4 2399 B11R1.4 NCCOCCc1ccsc1 Amb33448656 [0,0,0,0,1,0|3,0,0]=4 2400 B11R1.4 NOCCCCc1ccsc1 Amb33321650 [0,0,0,0,1,0|3,0,0]=4 2401 B11R1.4 O=CCCCCc1cccs1 Amb18048615 [0,0,0,0,1,0|1,0,2]=4 2402 B11R1.4 O=CCCCCc1ccsc1 Amb33449957 [0,0,0,0,1,0|1,0,2]=4 2403 B11R1.4 OCCCC#Cc1ccco1 Amb26844924 [0,0,0,0,1,0|1,0,2]=4 2404 B11R1.4 OCCCC#Cc1cccs1 Amb27807599 [0,0,0,0,1,0|1,0,2]=4 2405 B11R1.4 OCCCCCc1ccsc1 Amb32954776 [0,0,0,0,1,0|1,0,0]=2 2406 B11R1.4 OCCCCCn1cccn1 Amb18799534 [0,0,0,0,1,0|2,0,0]=3 2407 B11R1.4 OCCCCCn1cncn1 Amb18182989 [0,0,0,0,1,0|3,0,0]=4 2408 B11R1.4 OCCCNCc1ccco1 Amb2592329 [0,0,0,0,1,0|2,0,0]=3 2409 B11R1.4 OCCCNCc1cccs1 Amb6772394 [0,0,0,0,1,0|2,0,0]=3 2410 B11R1.4 OCCCNCc1cccs1 Amb838115 [0,0,0,0,1,0|2,0,0]=3 2411 B11R1.4 OCCCNCc1ccsc1 Amb6733595 [0,0,0,0,1,0|2,0,0]=3 2412 B11R1.4 OCCCNCc1cncs1 Amb18183708 [0,0,0,0,1,0|3,0,0]=4 2413 B11R1.4 OCCCNCc1nccs1 Amb19648823 [0,0,0,0,1,0|3,0,0]=4 2414 B11R1.4 OCCC\N=C\c1ccco1 Amb27989630 [0,0,0,0,1,0|2,0,1]=4 2415 B11R1.4 OCCNCCc1nccs1 Amb17315478 [0,0,0,0,1,0|3,0,0]=4 2416 B11R1.4 OCCOCCn1cccn1 Amb18791715 [0,0,0,0,1,0|3,0,0]=4 2417 B11R1.4 OC\C=C\CCc1ccsc1 Amb33079620 [0,0,0,0,1,0|1,0,2]=4 2418 B11R1.4 SCCCCCc1ccsc1 Amb33484588 [0,0,0,0,1,0|1,1,0]=3 2419 B11R1.4 SCCCCCn1cccn1 Amb32953376 [0,0,0,0,1,0|2,1,0]=4 2420 B11R1.4 [C-]#[N+]CCCCc1ccsc1 Amb33321990 [0,0,0,0,1,0|3,0,0]=4 2421 B10R0.71 C=C\C=C/C=C/CCCCC Amb22546765 [1,0,1,0,0,0|0,0,0]=2 2422 B10R0.71 CCCCC\C=C\C=C\C=O Amb8392854 [1,0,1,0,0,0|1,0,0]=3 2423 B10R0.71 C\C=C/C\C=C/CCCCC Amb22546768 [1,0,1,0,0,0|0,0,2]=4 2424 B10R0.71 C\C=C\C=C\CCCCCC Amb22546597 [1,0,1,0,0,0|0,0,2]=4 2425 B10R1.17 BrCCCc1ccccc1 Amb2721516 [2,0,0,0,0,0|1,0,0]=3 2426 B10R1.17 BrCCCc1ccccn1 Amb27866171 [2,0,0,0,0,0|2,0,0]=4 2427 B10R1.17 BrCCCc1cccnc1 Amb1102301 [2,0,0,0,0,0|2,0,0]=4 2428 B10R1.17 BrCCCc1cccnc1 Amb17610084 [2,0,0,0,0,0|2,0,0]=4 2429 B10R1.17 BrCCCc1ccncc1 Amb32751195 [2,0,0,0,0,0|2,0,0]=4 2430 B10R1.17 BrCCOc1ccccc1 Amb1152333 [2,0,0,0,0,0|2,0,0]=4 2431 B10R1.17 BrCCSc1ccccc1 Amb6255409 [2,0,0,0,0,0|2,0,0]=4 2432 B10R1.17 BrCOCc1ccccc1 Amb27410470 [2,0,0,0,0,0|2,0,0]=4 2433 B10R1.17 Br[Mg]CCc1ccccc1 Amb22000585 [2,0,0,0,0,0|2,0,0]=4 2434 B10R1.17 C#CCCc1ccccc1 Amb6336492 [2,0,0,0,0,0|0,0,2]=4 2435 B10R1.17 C=CCCc1ccccc1 Amb2721241 [2,0,0,0,0,0|0,0,2]=4 2436 B10R1.17 CCCC[n+]1ccccc1 Amb8393211 [2,0,0,0,0,0|1,0,0]=3 2437 B10R1.17 CCCC[n+]1ccccc1 Amb8516223 [2,0,0,0,0,0|1,0,0]=3 2438 B10R1.17 CCCC[n+]1ccccc1 Amb8516227 [2,0,0,0,0,0|1,0,0]=3 2439 B10R1.17 CCCC[n+]1ccccc1 Amb8516263 [2,0,0,0,0,0|1,0,0]=3 2440 B10R1.17 CCCCc1ccccc1 Amb6608912 [2,0,0,0,0,0|0,0,0]=2 2441 B10R1.17 CCCCc1ccccn1 Amb8395993 [2,0,0,0,0,0|1,0,0]=3 2442 B10R1.17 CCCCc1cccnc1 Amb4037068 [2,0,0,0,0,0|1,0,0]=3 2443 B10R1.17 CCCCc1cccnn1 Amb22235740 [2,0,0,0,0,0|2,0,0]=4 2444 B10R1.17 CCCCc1ccncc1 Amb10555008 [2,0,0,0,0,0|1,0,0]=3 2445 B10R1.17 CCCNc1ccccc1 Amb534130 [2,0,0,0,0,0|1,0,0]=3 2446 B10R1.17 CCCNc1cccnc1 Amb6686632 [2,0,0,0,0,0|2,0,0]=4 2447 B10R1.17 CCCNc1ccncc1 Amb6614447 [2,0,0,0,0,0|2,0,0]=4 2448 B10R1.17 CCCOc1ccccc1 Amb2842271 [2,0,0,0,0,0|1,0,0]=3 2449 B10R1.17 CCCSc1ccccc1 Amb4014460 [2,0,0,0,0,0|1,0,0]=3 2450 B10R1.17 CCCSc1ccccn1 Amb24733306 [2,0,0,0,0,0|2,0,0]=4 2451 B10R1.17 CCCSc1ccncc1 Amb28126322 [2,0,0,0,0,0|2,0,0]=4 2452 B10R1.17 CCNCc1ccccc1 Amb3699539 [2,0,0,0,0,0|1,0,0]=3 2453 B10R1.17 CCNCc1ccccn1 Amb2592098 [2,0,0,0,0,0|2,0,0]=4 2454 B10R1.17 CCNCc1cccnc1 Amb21972163 [2,0,0,0,0,0|2,0,0]=4 2455 B10R1.17 CCNCc1cccnc1 Amb837759 [2,0,0,0,0,0|2,0,0]=4 2456 B10R1.17 CCNCc1ccncc1 Amb1214646 [2,0,0,0,0,0|2,0,0]=4 2457 B10R1.17 CCOCc1ccccc1 Amb9787555 [2,0,0,0,0,0|1,0,0]=3 2458 B10R1.17 CCOCc1ccccn1 Amb27267027 [2,0,0,0,0,0|2,0,0]=4 2459 B10R1.17 CCOCc1ccncc1 Amb27255285 [2,0,0,0,0,0|2,0,0]=4 2460 B10R1.17 CCOSc1ccccc1 Amb28049338 [2,0,0,0,0,0|2,0,0]=4 2461 B10R1.17 CCSCc1ccccc1 Amb9787636 [2,0,0,0,0,0|1,0,0]=3 2462 B10R1.17 CCSCc1ccccn1 Amb28124640 [2,0,0,0,0,0|2,0,0]=4 2463 B10R1.17 CCSCc1cccnc1 Amb26909883 [2,0,0,0,0,0|2,0,0]=4 2464 B10R1.17 CCSSc1ccccc1 Amb28057163 [2,0,0,0,0,0|2,0,0]=4 2465 B10R1.17 CC\C=C\c1ccccc1 Amb17673826 [2,0,0,0,0,0|0,0,2]=4 2466 B10R1.17 CC\N=C\c1ccccc1 Amb10558476 [2,0,0,0,0,0|1,0,1]=4 2467 B10R1.17 CNCCc1ccccc1 Amb1132990 [2,0,0,0,0,0|1,0,0]=3 2468 B10R1.17 CNCCc1ccccc1 Amb33545919 [2,0,0,0,0,0|1,0,0]=3 2469 B10R1.17 CNCCc1ccccn1 Amb1651624 [2,0,0,0,0,0|2,0,0]=4 2470 B10R1.17 CNCCc1ccccn1 Amb22167479 [2,0,0,0,0,0|2,0,0]=4 2471 B10R1.17 CNCCc1ccccn1 Amb6741463 [2,0,0,0,0,0|2,0,0]=4 2472 B10R1.17 CNCCc1cccnc1 Amb10068754 [2,0,0,0,0,0|2,0,0]=4 2473 B10R1.17 CNCCc1cccnc1 Amb10576410 [2,0,0,0,0,0|2,0,0]=4 2474 B10R1.17 CNCCc1ccncc1 Amb10071184 [2,0,0,0,0,0|2,0,0]=4 2475 B10R1.17 CNCCc1ccncc1 Amb19958269 [2,0,0,0,0,0|2,0,0]=4 2476 B10R1.17 CNCCc1ccncc1 Amb2592519 [2,0,0,0,0,0|2,0,0]=4 2477 B10R1.17 CNNCc1ccccc1 Amb26859422 [2,0,0,0,0,0|2,0,0]=4 2478 B10R1.17 CNNCc1ccccc1 Amb33328543 [2,0,0,0,0,0|2,0,0]=4 2479 B10R1.17 CNOCc1ccccc1 Amb22059601 [2,0,0,0,0,0|2,0,0]=4 2480 B10R1.17 CNOCc1ccccc1 Amb32412803 [2,0,0,0,0,0|2,0,0]=4 2481 B10R1.17 COCC[n+]1ccccc1 Amb28125435 [2,0,0,0,0,0|2,0,0]=4 2482 B10R1.17 COCCc1ccccc1 Amb4020014 [2,0,0,0,0,0|1,0,0]=3 2483 B10R1.17 COCCc1ccccn1 Amb4034583 [2,0,0,0,0,0|2,0,0]=4 2484 B10R1.17 COCCc1ccncc1 Amb26565974 [2,0,0,0,0,0|2,0,0]=4 2485 B10R1.17 COCOc1ccccc1 Amb2608594 [2,0,0,0,0,0|2,0,0]=4 2486 B10R1.17 CONCc1ccccc1 Amb26432339 [2,0,0,0,0,0|2,0,0]=4 2487 B10R1.17 CSCCc1ccccc1 Amb26586093 [2,0,0,0,0,0|1,0,0]=3 2488 B10R1.17 CSCCc1ccccn1 Amb24552366 [2,0,0,0,0,0|2,0,0]=4 2489 B10R1.17 CSCNc1ccccc1 Amb25992690 [2,0,0,0,0,0|2,0,0]=4 2490 B10R1.17 CSCOc1ccccc1 Amb22231357 [2,0,0,0,0,0|2,0,0]=4 2491 B10R1.17 C\C=C\Cc1ccccc1 Amb4035140 [2,0,0,0,0,0|0,0,2]=4 2492 B10R1.17 ClCCCc1ccccc1 Amb3941487 [2,0,0,0,0,0|1,0,0]=3 2493 B10R1.17 ClCCCc1ccccn1 Amb32751196 [2,0,0,0,0,0|2,0,0]=4 2494 B10R1.17 ClCCCc1cccnc1 Amb17477795 [2,0,0,0,0,0|2,0,0]=4 2495 B10R1.17 ClCCCc1cccnc1 Amb32665795 [2,0,0,0,0,0|2,0,0]=4 2496 B10R1.17 ClCCCc1ccncc1 Amb17477794 [2,0,0,0,0,0|2,0,0]=4 2497 B10R1.17 ClCCNc1ccccc1 Amb17334388 [2,0,0,0,0,0|2,0,0]=4 2498 B10R1.17 ClCCOc1ccccc1 Amb3940573 [2,0,0,0,0,0|2,0,0]=4 2499 B10R1.17 ClCCSc1ccccc1 Amb2685910 [2,0,0,0,0,0|2,0,0]=4 2500 B10R1.17 ClCOCc1ccccc1 Amb2684626 [2,0,0,0,0,0|2,0,0]=4 2501 B10R1.17 ClCSCc1ccccc1 Amb16231183 [2,0,0,0,0,0|2,0,0]=4 2502 B10R1.17 FCCNc1ccccc1 Amb26349791 [2,0,0,0,0,0|2,0,0]=4 2503 B10R1.17 ICCCc1ccccc1 Amb10605506 [2,0,0,0,0,0|1,0,0]=3 2504 B10R1.17 ICCOc1ccccc1 Amb10608588 [2,0,0,0,0,0|2,0,0]=4 2505 B10R1.17 ICCSc1ccccc1 Amb27458209 [2,0,0,0,0,0|2,0,0]=4 2506 B10R1.17 ICOCc1ccccc1 Amb28348666 [2,0,0,0,0,0|2,0,0]=4 2507 B10R1.17 N#CCCc1ccccc1 Amb33551192 [2,0,0,0,0,0|1,0,1]=4 2508 B10R1.17 NCCCc1ccccc1 Amb844788 [2,0,0,0,0,0|1,0,0]=3 2509 B10R1.17 NCCCc1ccccn1 Amb1088884 [2,0,0,0,0,0|2,0,0]=4 2510 B10R1.17 NCCCc1ccccn1 Amb21954278 [2,0,0,0,0,0|2,0,0]=4 2511 B10R1.17 NCCCc1cccnc1 Amb18363942 [2,0,0,0,0,0|2,0,0]=4 2512 B10R1.17 NCCCc1cccnc1 Amb31188323 [2,0,0,0,0,0|2,0,0]=4 2513 B10R1.17 NCCCc1cccnc1 Amb5735475 [2,0,0,0,0,0|2,0,0]=4 2514 B10R1.17 NCCCc1ccncc1 Amb22490382 [2,0,0,0,0,0|2,0,0]=4 2515 B10R1.17 NCCCc1ccncc1 Amb24099592 [2,0,0,0,0,0|2,0,0]=4 2516 B10R1.17 NCCCc1ccncc1 Amb33535434 [2,0,0,0,0,0|2,0,0]=4 2517 B10R1.17 NCCNc1ccccc1 Amb23412206 [2,0,0,0,0,0|2,0,0]=4 2518 B10R1.17 NCCNc1ccccc1 Amb2720312 [2,0,0,0,0,0|2,0,0]=4 2519 B10R1.17 NCCOc1ccccc1 Amb1214559 [2,0,0,0,0,0|2,0,0]=4 2520 B10R1.17 NCCOc1ccccc1 Amb2099529 [2,0,0,0,0,0|2,0,0]=4 2521 B10R1.17 NCCSc1ccccc1 Amb6374305 [2,0,0,0,0,0|2,0,0]=4 2522 B10R1.17 NCCSc1ccccc1 Amb6827055 [2,0,0,0,0,0|2,0,0]=4 2523 B10R1.17 NNCCc1ccccc1 Amb10608987 [2,0,0,0,0,0|2,0,0]=4 2524 B10R1.17 NNCCc1ccccc1 Amb1117029 [2,0,0,0,0,0|2,0,0]=4 2525 B10R1.17 NNCCc1ccccc1 Amb33552804 [2,0,0,0,0,0|2,0,0]=4 2526 B10R1.17 NOCCc1ccccc1 Amb2899735 [2,0,0,0,0,0|2,0,0]=4 2527 B10R1.17 NOCCc1ccccc1 Amb6308543 [2,0,0,0,0,0|2,0,0]=4 2528 B10R1.17 O=CCCc1ccccc1 Amb2720576 [2,0,0,0,0,0|0,0,2]=4 2529 B10R1.17 OCC#Cc1ccccc1 Amb534712 [2,0,0,0,0,0|0,0,2]=4 2530 B10R1.17 OCCCC1=CCC=CC1 Amb22047467 [2,0,0,0,0,0|0,0,2]=4 2531 B10R1.17 OCCCc1ccccc1 Amb3939054 [2,0,0,0,0,0|0,0,0]=2 2532 B10R1.17 OCCCc1ccccn1 Amb22749323 [2,0,0,0,0,0|1,0,0]=3 2533 B10R1.17 OCCCc1ccccn1 Amb3939333 [2,0,0,0,0,0|1,0,0]=3 2534 B10R1.17 OCCCc1cccnc1 Amb2694598 [2,0,0,0,0,0|1,0,0]=3 2535 B10R1.17 OCCCc1cccnc1 Amb33623848 [2,0,0,0,0,0|1,0,0]=3 2536 B10R1.17 OCCCc1cccnn1 Amb27208115 [2,0,0,0,0,0|2,0,0]=4 2537 B10R1.17 OCCCc1ccncc1 Amb3650114 [2,0,0,0,0,0|1,0,0]=3 2538 B10R1.17 OCCCc1ccncn1 Amb24099660 [2,0,0,0,0,0|2,0,0]=4 2539 B10R1.17 OCCCc1ccnnc1 Amb23559794 [2,0,0,0,0,0|2,0,0]=4 2540 B10R1.17 OCCCc1cnccn1 Amb22499266 [2,0,0,0,0,0|2,0,0]=4 2541 B10R1.17 OCCCc1cncnc1 Amb24063145 [2,0,0,0,0,0|2,0,0]=4 2542 B10R1.17 OCCCc1ncccn1 Amb22499265 [2,0,0,0,0,0|2,0,0]=4 2543 B10R1.17 OCCNc1ccccc1 Amb3940335 [2,0,0,0,0,0|1,0,0]=3 2544 B10R1.17 OCCNc1ccccn1 Amb10809152 [2,0,0,0,0,0|2,0,0]=4 2545 B10R1.17 OCCNc1ccccn1 Amb2610537 [2,0,0,0,0,0|2,0,0]=4 2546 B10R1.17 OCCNc1cccnc1 Amb18266115 [2,0,0,0,0,0|2,0,0]=4 2547 B10R1.17 OCCNc1ccncc1 Amb6631563 [2,0,0,0,0,0|2,0,0]=4 2548 B10R1.17 OCCOc1ccccc1 Amb2209344 [2,0,0,0,0,0|1,0,0]=3 2549 B10R1.17 OCCOc1ccccn1 Amb23598433 [2,0,0,0,0,0|2,0,0]=4 2550 B10R1.17 OCCOc1cccnc1 Amb19333986 [2,0,0,0,0,0|2,0,0]=4 2551 B10R1.17 OCCSc1ccccn1 Amb2722740 [2,0,0,0,0,0|2,0,0]=4 2552 B10R1.17 OCOCc1ccccc1 Amb25727798 [2,0,0,0,0,0|1,0,0]=3 2553 B10R1.17 OCSCc1ccccc1 Amb27839241 [2,0,0,0,0,0|1,0,0]=3 2554 B10R1.17 OC\C=C\c1ccccc1 Amb7809230 [2,0,0,0,0,0|0,0,2]=4 2555 B10R1.17 ONCCc1ccccc1 Amb33544180 [2,0,0,0,0,0|1,0,0]=3 2556 B10R1.17 O\N=C\Cc1ccccc1 Amb31275669 [2,0,0,0,0,0|1,0,1]=4 2557 B10R1.17 SCCCc1ccccc1 Amb6255807 [2,0,0,0,0,0|0,1,0]=3 2558 B10R1.17 SCCCc1ccccn1 Amb17399950 [2,0,0,0,0,0|1,1,0]=4 2559 B10R1.17 SCCCc1cccnc1 Amb17399951 [2,0,0,0,0,0|1,1,0]=4 2560 B10R1.17 SCCCc1ccncc1 Amb17399952 [2,0,0,0,0,0|1,1,0]=4 2561 B10R1.17 SCCOc1ccccc1 Amb2794986 [2,0,0,0,0,0|1,1,0]=4 2562 B10R1.17 SCCSc1ccccc1 Amb13881734 [2,0,0,0,0,0|1,1,0]=4 2563 B10R1.17 [C-]#[N+]CCc1ccccc1 Amb1981030 [2,0,0,0,0,0|1,0,1]=4 2564 B10R1.17 [SiH3]CCCc1ccccc1 Amb22347053 [2,0,0,0,0,0|0,1,0]=3 2565 B12R0.5 CCCCCCC\C=C\C=C\C=O Amb22045171 [0,1,1,0,0,0|1,0,1]=4 2566 B12R1.1 BrCCCCc1ccc(Br)cc1 Amb33801561 [1,1,0,0,0,0|1,0,0]=3 2567 B12R1.1 BrCCCOc1ccc(Br)cc1 Amb9209723 [1,1,0,0,0,0|2,0,0]=4 2568 B12R1.1 Brc1ccc(CCCCI)cc1 Amb34914019 [1,1,0,0,0,0|1,0,0]=3 2569 B12R1.1 C#CCCCc1ccc(Br)cc1 Amb33332210 [1,1,0,0,0,0|0,0,2]=4 2570 B12R1.1 C#CCCCc1ccc(Cl)cc1 Amb27967094 [1,1,0,0,0,0|0,0,2]=4 2571 B12R1.1 C#CCCCc1ccc(F)cc1 Amb27178486 [1,1,0,0,0,0|0,0,2]=4 2572 B12R1.1 C=CCCCc1ccc(Br)cc1 Amb33456175 [1,1,0,0,0,0|0,0,2]=4 2573 B12R1.1 CCCC#Cc1ccc(C)cc1 Amb27494779 [1,1,0,0,0,0|0,0,2]=4 2574 B12R1.1 CCCC#Cc1ccc(Cl)cc1 Amb25936619 [1,1,0,0,0,0|0,0,2]=4 2575 B12R1.1 CCCC#Cc1ccc(F)cc1 Amb25977681 [1,1,0,0,0,0|0,0,2]=4 2576 B12R1.1 CCCC#Cc1ccc(I)cc1 Amb27248571 [1,1,0,0,0,0|0,0,2]=4 2577 B12R1.1 CCCC#Cc1ccc(N)cc1 Amb28196347 [1,1,0,0,0,0|0,0,2]=4 2578 B12R1.1 CCCC#Cc1ccc(O)cc1 Amb25282857 [1,1,0,0,0,0|0,0,2]=4 2579 B12R1.1 CCCCCc1ccc(Br)cc1 Amb2413171 [1,1,0,0,0,0|0,0,0]=2 2580 B12R1.1 CCCCCc1ccc(Cl)cc1 Amb2686308 [1,1,0,0,0,0|0,0,0]=2 2581 B12R1.1 CCCCCc1ccc(F)cc1 Amb2688281 [1,1,0,0,0,0|0,0,0]=2 2582 B12R1.1 CCCCCc1ccc(I)cc1 Amb2688867 [1,1,0,0,0,0|0,0,0]=2 2583 B12R1.1 CCCCCc1ccc(O)cc1 Amb2690078 [1,1,0,0,0,0|0,0,0]=2 2584 B12R1.1 CCCCCc1ncc(N)cn1 Amb18560901 [1,1,0,0,0,0|2,0,0]=4 2585 B12R1.1 CCCCNc1cc[n+]([O-])cc1 Amb28283583 [1,1,0,0,0,0|2,0,0]=4 2586 B12R1.1 CCCCNc1ccc(Br)cc1 Amb4313695 [1,1,0,0,0,0|1,0,0]=3 2587 B12R1.1 CCCCNc1ccc(Br)cn1 Amb6646798 [1,1,0,0,0,0|2,0,0]=4 2588 B12R1.1 CCCCNc1ccc(Br)nc1 Amb27832111 [1,1,0,0,0,0|2,0,0]=4 2589 B12R1.1 CCCCNc1ccc(C)cc1 Amb4313688 [1,1,0,0,0,0|1,0,0]=3 2590 B12R1.1 CCCCNc1ccc(Cl)cc1 Amb4313690 [1,1,0,0,0,0|1,0,0]=3 2591 B12R1.1 CCCCNc1ccc(Cl)nc1 Amb27175961 [1,1,0,0,0,0|2,0,0]=4 2592 B12R1.1 CCCCNc1ccc(F)cc1 Amb4313696 [1,1,0,0,0,0|1,0,0]=3 2593 B12R1.1 CCCCNc1ccc(I)cc1 Amb7759888 [1,1,0,0,0,0|1,0,0]=3 2594 B12R1.1 CCCCNc1ccc(N)cn1 Amb9205254 [1,1,0,0,0,0|2,0,0]=4 2595 B12R1.1 CCCCNc1ccc(N)nc1 Amb7767728 [1,1,0,0,0,0|2,0,0]=4 2596 B12R1.1 CCCCNc1ccc(O)cc1 Amb9608868 [1,1,0,0,0,0|1,0,0]=3 2597 B12R1.1 CCCCOc1ccc(Br)cc1 Amb2721157 [1,1,0,0,0,0|1,0,0]=3 2598 B12R1.1 CCCCOc1ccc(Br)cn1 Amb20242025 [1,1,0,0,0,0|2,0,0]=4 2599 B12R1.1 CCCCOc1ccc(Br)nc1 Amb33719147 [1,1,0,0,0,0|2,0,0]=4 2600 B12R1.1 CCCCOc1ccc(Cl)cc1 Amb9787615 [1,1,0,0,0,0|1,0,0]=3 2601 B12R1.1 CCCCOc1ccc(Cl)nc1 Amb32670792 [1,1,0,0,0,0|2,0,0]=4 2602 B12R1.1 CCCCOc1ccc(F)nc1 Amb32658400 [1,1,0,0,0,0|2,0,0]=4 2603 B12R1.1 CCCCOc1ccc(I)cc1 Amb19929171 [1,1,0,0,0,0|1,0,0]=3 2604 B12R1.1 CCCCOc1ccc(N)cc1 Amb1127017 [1,1,0,0,0,0|1,0,0]=3 2605 B12R1.1 CCCCOc1ccc(N)cn1 Amb33526924 [1,1,0,0,0,0|2,0,0]=4 2606 B12R1.1 CCCCOc1ccc(N)cn1 Amb4017541 [1,1,0,0,0,0|2,0,0]=4 2607 B12R1.1 CCCCOc1ccc(N)nc1 Amb8895013 [1,1,0,0,0,0|2,0,0]=4 2608 B12R1.1 CCCCOc1ccc(O)cc1 Amb3939308 [1,1,0,0,0,0|1,0,0]=3 2609 B12R1.1 CCCCSc1ccc(Br)cc1 Amb22227904 [1,1,0,0,0,0|1,0,0]=3 2610 B12R1.1 CCCCSc1ccc(N)cc1 Amb6543486 [1,1,0,0,0,0|1,0,0]=3 2611 B12R1.1 CCCCSc1ccc(N)cn1 Amb8932394 [1,1,0,0,0,0|2,0,0]=4 2612 B12R1.1 CCCNCc1ccc(Br)cc1 Amb19890387 [1,1,0,0,0,0|1,0,0]=3 2613 B12R1.1 CCCNCc1ccc(Br)cc1 Amb837679 [1,1,0,0,0,0|1,0,0]=3 2614 B12R1.1 CCCNCc1ccc(C)cc1 Amb1215690 [1,1,0,0,0,0|1,0,0]=3 2615 B12R1.1 CCCNCc1ccc(C)cc1 Amb19890384 [1,1,0,0,0,0|1,0,0]=3 2616 B12R1.1 CCCNCc1ccc(Cl)cc1 Amb10782093 [1,1,0,0,0,0|1,0,0]=3 2617 B12R1.1 CCCNCc1ccc(Cl)cc1 Amb838374 [1,1,0,0,0,0|1,0,0]=3 2618 B12R1.1 CCCNCc1ccc(Cl)nc1 Amb21988426 [1,1,0,0,0,0|2,0,0]=4 2619 B12R1.1 CCCNCc1ccc(F)cc1 Amb6864724 [1,1,0,0,0,0|1,0,0]=3 2620 B12R1.1 CCCNCc1ccc(F)cc1 Amb838017 [1,1,0,0,0,0|1,0,0]=3 2621 B12R1.1 CCCNCc1ccc(O)cc1 Amb2445168 [1,1,0,0,0,0|1,0,0]=3 2622 B12R1.1 CCCNCc1ccc(O)cc1 Amb6264703 [1,1,0,0,0,0|1,0,0]=3 2623 B12R1.1 CCCSCc1ccc(N)cc1 Amb6680628 [1,1,0,0,0,0|1,0,0]=3 2624 B12R1.1 CCC\C=C\c1ccc(Cl)cc1 Amb10566844 [1,1,0,0,0,0|0,0,2]=4 2625 B12R1.1 CCC\C=C\c1ccc(N)cc1 Amb27644670 [1,1,0,0,0,0|0,0,2]=4 2626 B12R1.1 CCC\N=C/c1ccc(F)cc1 Amb27598073 [1,1,0,0,0,0|1,0,1]=4 2627 B12R1.1 CCC\N=C\c1ccc(O)cc1 Amb2445167 [1,1,0,0,0,0|1,0,1]=4 2628 B12R1.1 CCNCCc1ccc(Br)cc1 Amb9214727 [1,1,0,0,0,0|1,0,0]=3 2629 B12R1.1 CCNCCc1ccc(C)cc1 Amb8853683 [1,1,0,0,0,0|1,0,0]=3 2630 B12R1.1 CCNCCc1ccc(Cl)cc1 Amb5785546 [1,1,0,0,0,0|1,0,0]=3 2631 B12R1.1 CCNCCc1ccc(F)cc1 Amb5785549 [1,1,0,0,0,0|1,0,0]=3 2632 B12R1.1 CCNCCc1ccc(O)cc1 Amb15694900 [1,1,0,0,0,0|1,0,0]=3 2633 B12R1.1 CCONCc1ccc(F)cc1 Amb32412844 [1,1,0,0,0,0|2,0,0]=4 2634 B12R1.1 CNCCCc1ccc(Br)cc1 Amb17104523 [1,1,0,0,0,0|1,0,0]=3 2635 B12R1.1 CNCCCc1ccc(C)cc1 Amb17104501 [1,1,0,0,0,0|1,0,0]=3 2636 B12R1.1 CNCCCc1ccc(Cl)cc1 Amb17104509 [1,1,0,0,0,0|1,0,0]=3 2637 B12R1.1 CNCCCc1ccc(F)cc1 Amb17104503 [1,1,0,0,0,0|1,0,0]=3 2638 B12R1.1 CNCCOc1ccc(Br)cc1 Amb22166 [1,1,0,0,0,0|2,0,0]=4 2639 B12R1.1 CNCCOc1ccc(C)cc1 Amb1670236 [1,1,0,0,0,0|2,0,0]=4 2640 B12R1.1 CNCCOc1ccc(C)cc1 Amb2140580 [1,1,0,0,0,0|2,0,0]=4 2641 B12R1.1 CNCCOc1ccc(Cl)cc1 Amb397806 [1,1,0,0,0,0|2,0,0]=4 2642 B12R1.1 CNCCOc1ccc(F)cc1 Amb1156338 [1,1,0,0,0,0|2,0,0]=4 2643 B12R1.1 CNCCOc1ccc(F)cc1 Amb2094492 [1,1,0,0,0,0|2,0,0]=4 2644 B12R1.1 CNCCOc1ccc(N)cc1 Amb17232615 [1,1,0,0,0,0|2,0,0]=4 2645 B12R1.1 CNCCOc1ccc(N)cc1 Amb34912651 [1,1,0,0,0,0|2,0,0]=4 2646 B12R1.1 CNCCOc1ccc(O)cc1 Amb19507657 [1,1,0,0,0,0|2,0,0]=4 2647 B12R1.1 CNCCOc1ccc(O)cc1 Amb32789481 [1,1,0,0,0,0|2,0,0]=4 2648 B12R1.1 CNCCSc1ccc(C)cc1 Amb10608765 [1,1,0,0,0,0|2,0,0]=4 2649 B12R1.1 CNCCSc1ccc(C)cc1 Amb19892872 [1,1,0,0,0,0|2,0,0]=4 2650 B12R1.1 CNCCSc1ccc(Cl)cc1 Amb19024601 [1,1,0,0,0,0|2,0,0]=4 2651 B12R1.1 CNCCSc1ccc(Cl)cc1 Amb32662273 [1,1,0,0,0,0|2,0,0]=4 2652 B12R1.1 CNCCSc1ccc(F)cc1 Amb19024603 [1,1,0,0,0,0|2,0,0]=4 2653 B12R1.1 CNCCSc1ccc(F)cc1 Amb32662297 [1,1,0,0,0,0|2,0,0]=4 2654 B12R1.1 COCCNc1ccc(Br)cc1 Amb6712196 [1,1,0,0,0,0|2,0,0]=4 2655 B12R1.1 COCCNc1ccc(C)cc1 Amb6714070 [1,1,0,0,0,0|2,0,0]=4 2656 B12R1.1 COCCNc1ccc(Cl)cc1 Amb6711958 [1,1,0,0,0,0|2,0,0]=4 2657 B12R1.1 COCCNc1ccc(F)cc1 Amb6712307 [1,1,0,0,0,0|2,0,0]=4 2658 B12R1.1 COCCNc1ccc(N)cc1 Amb10610074 [1,1,0,0,0,0|2,0,0]=4 2659 B12R1.1 COCCNc1ccc(N)cc1 Amb9205203 [1,1,0,0,0,0|2,0,0]=4 2660 B12R1.1 COCCOc1ccc(Br)cc1 Amb6260186 [1,1,0,0,0,0|2,0,0]=4 2661 B12R1.1 COCCOc1ccc(F)cc1 Amb33546390 [1,1,0,0,0,0|2,0,0]=4 2662 B12R1.1 COCCOc1ccc(I)cc1 Amb32411259 [1,1,0,0,0,0|2,0,0]=4 2663 B12R1.1 COCCOc1ccc(N)cc1 Amb1995318 [1,1,0,0,0,0|2,0,0]=4 2664 B12R1.1 COCCOc1ccc(N)cc1 Amb2189147 [1,1,0,0,0,0|2,0,0]=4 2665 B12R1.1 COCCOc1ccc(O)cc1 Amb8837237 [1,1,0,0,0,0|2,0,0]=4 2666 B12R1.1 COCCOc1ccc(S)cc1 Amb28963355 [1,1,0,0,0,0|2,0,0]=4 2667 B12R1.1 COCCSc1ccc(N)cc1 Amb8930279 [1,1,0,0,0,0|2,0,0]=4 2668 B12R1.1 COCOCc1ccc(F)cc1 Amb28464086 [1,1,0,0,0,0|2,0,0]=4 2669 B12R1.1 COCOCc1ccc(N)cc1 Amb33547965 [1,1,0,0,0,0|2,0,0]=4 2670 B12R1.1 COCSCc1ccc(N)cc1 Amb17498310 [1,1,0,0,0,0|2,0,0]=4 2671 B12R1.1 CSCCNc1ccc(F)cc1 Amb18312643 [1,1,0,0,0,0|2,0,0]=4 2672 B12R1.1 CSCCNc1ccc(I)cc1 Amb27245585 [1,1,0,0,0,0|2,0,0]=4 2673 B12R1.1 CSCCNc1ccc(N)cc1 Amb27233343 [1,1,0,0,0,0|2,0,0]=4 2674 B12R1.1 CSCCOc1ccc(Br)cc1 Amb32414282 [1,1,0,0,0,0|2,0,0]=4 2675 B12R1.1 CSCCOc1ccc(N)cc1 Amb17504112 [1,1,0,0,0,0|2,0,0]=4 2676 B12R1.1 Cc1ccc(C#CCCO)cc1 Amb18792225 [1,1,0,0,0,0|0,0,2]=4 2677 B12R1.1 Cc1ccc(CCCC#N)cc1 Amb17232302 [1,1,0,0,0,0|1,0,1]=4 2678 B12R1.1 Cc1ccc(CCCC=O)cc1 Amb17089167 [1,1,0,0,0,0|0,0,2]=4 2679 B12R1.1 Cc1ccc(CCCCBr)cc1 Amb34914027 [1,1,0,0,0,0|1,0,0]=3 2680 B12R1.1 Cc1ccc(CCCCCl)cc1 Amb17139047 [1,1,0,0,0,0|1,0,0]=3 2681 B12R1.1 Cc1ccc(CCCCI)cc1 Amb34914017 [1,1,0,0,0,0|1,0,0]=3 2682 B12R1.1 Cc1ccc(CCCCN)cc1 Amb5735494 [1,1,0,0,0,0|1,0,0]=3 2683 B12R1.1 Cc1ccc(CCCCN)cn1 Amb18828702 [1,1,0,0,0,0|2,0,0]=4 2684 B12R1.1 Cc1ccc(CCCCN)nc1 Amb33172517 [1,1,0,0,0,0|2,0,0]=4 2685 B12R1.1 Cc1ccc(CCCCO)cc1 Amb16183285 [1,1,0,0,0,0|0,0,0]=2 2686 B12R1.1 Cc1ccc(CCCCS)cc1 Amb17400847 [1,1,0,0,0,0|0,1,0]=3 2687 B12R1.1 Cc1ccc(CCCON)cc1 Amb17089551 [1,1,0,0,0,0|2,0,0]=4 2688 B12R1.1 Cc1ccc(CNCCCl)cc1 Amb17335658 [1,1,0,0,0,0|2,0,0]=4 2689 B12R1.1 Cc1ccc(CNCCN)cc1 Amb9174051 [1,1,0,0,0,0|2,0,0]=4 2690 B12R1.1 Cc1ccc(CNCCO)cc1 Amb6864509 [1,1,0,0,0,0|1,0,0]=3 2691 B12R1.1 Cc1ccc(CNCCO)cc1 Amb838343 [1,1,0,0,0,0|1,0,0]=3 2692 B12R1.1 Cc1ccc(COCCN)cc1 Amb17061816 [1,1,0,0,0,0|2,0,0]=4 2693 B12R1.1 Cc1ccc(CSCCCl)cc1 Amb21988400 [1,1,0,0,0,0|2,0,0]=4 2694 B12R1.1 Cc1ccc(CSCCN)cc1 Amb436545 [1,1,0,0,0,0|2,0,0]=4 2695 B12R1.1 Cc1ccc(CSCCO)cc1 Amb9273829 [1,1,0,0,0,0|1,0,0]=3 2696 B12R1.1 Cc1ccc(NCCCN)cc1 Amb17057723 [1,1,0,0,0,0|2,0,0]=4 2697 B12R1.1 Cc1ccc(NCCCO)cc1 Amb17306885 [1,1,0,0,0,0|1,0,0]=3 2698 B12R1.1 Cc1ccc(OCCCBr)cc1 Amb2795768 [1,1,0,0,0,0|2,0,0]=4 2699 B12R1.1 Cc1ccc(OCCCCl)cc1 Amb6244757 [1,1,0,0,0,0|2,0,0]=4 2700 B12R1.1 Cc1ccc(OCCCN)cc1 Amb1108458 [1,1,0,0,0,0|2,0,0]=4 2701 B12R1.1 Cc1ccc(OCCCN)cc1 Amb34202383 [1,1,0,0,0,0|2,0,0]=4 2702 B12R1.1 Cc1ccc(OCCCO)cc1 Amb9370515 [1,1,0,0,0,0|1,0,0]=3 2703 B12R1.1 Cc1ccc(OCCCS)cc1 Amb10813402 [1,1,0,0,0,0|1,1,0]=4 2704 B12R1.1 Cc1ccc(OCCNO)cc1 Amb17088416 [1,1,0,0,0,0|2,0,0]=4 2705 B12R1.1 Cc1ccc(SCCCN)cc1 Amb21984206 [1,1,0,0,0,0|2,0,0]=4 2706 B12R1.1 Cc1ccc(SCCCN)cc1 Amb6261863 [1,1,0,0,0,0|2,0,0]=4 2707 B12R1.1 ClCCCCc1ccc(Br)cc1 Amb17160233 [1,1,0,0,0,0|1,0,0]=3 2708 B12R1.1 ClCCCCc1ccc(Cl)cc1 Amb17139904 [1,1,0,0,0,0|1,0,0]=3 2709 B12R1.1 ClCCCOc1ccc(Br)cc1 Amb1127124 [1,1,0,0,0,0|2,0,0]=4 2710 B12R1.1 ClCCCOc1ccc(Cl)cc1 Amb1138390 [1,1,0,0,0,0|2,0,0]=4 2711 B12R1.1 ClCCCSc1ccc(Br)cc1 Amb4006803 [1,1,0,0,0,0|2,0,0]=4 2712 B12R1.1 Clc1ccc(CCCCBr)cc1 Amb32665821 [1,1,0,0,0,0|1,0,0]=3 2713 B12R1.1 Clc1ccc(CCCCI)cc1 Amb34914018 [1,1,0,0,0,0|1,0,0]=3 2714 B12R1.1 Clc1ccc(OCCCBr)cc1 Amb1154145 [1,1,0,0,0,0|2,0,0]=4 2715 B12R1.1 Clc1ccc(OCCCI)cc1 Amb2725683 [1,1,0,0,0,0|2,0,0]=4 2716 B12R1.1 Fc1ccc(CCCCBr)cc1 Amb20671699 [1,1,0,0,0,0|1,0,0]=3 2717 B12R1.1 Fc1ccc(CCCCCl)cc1 Amb17139159 [1,1,0,0,0,0|1,0,0]=3 2718 B12R1.1 Fc1ccc(CCCCI)cc1 Amb34914020 [1,1,0,0,0,0|1,0,0]=3 2719 B12R1.1 Fc1ccc(CCCCS)cc1 Amb17401040 [1,1,0,0,0,0|0,1,0]=3 2720 B12R1.1 Fc1ccc(CSCCCl)cc1 Amb21988508 [1,1,0,0,0,0|2,0,0]=4 2721 B12R1.1 Fc1ccc(NCCCCl)cc1 Amb28121086 [1,1,0,0,0,0|2,0,0]=4 2722 B12R1.1 Fc1ccc(OCCCBr)cc1 Amb2600502 [1,1,0,0,0,0|2,0,0]=4 2723 B12R1.1 Fc1ccc(OCCCCl)cc1 Amb1152973 [1,1,0,0,0,0|2,0,0]=4 2724 B12R1.1 Fc1ccc(OCCCS)cc1 Amb6256060 [1,1,0,0,0,0|1,1,0]=4 2725 B12R1.1 Fc1ccc(SCCCBr)cc1 Amb8828257 [1,1,0,0,0,0|2,0,0]=4 2726 B12R1.1 N#CCCCc1ccc(Br)cc1 Amb17246438 [1,1,0,0,0,0|1,0,1]=4 2727 B12R1.1 N#CCCCc1ccc(Cl)cc1 Amb17233649 [1,1,0,0,0,0|1,0,1]=4 2728 B12R1.1 N#CCCCc1ccc(F)cc1 Amb17232424 [1,1,0,0,0,0|1,0,1]=4 2729 B12R1.1 N#CCCCc1ccc(N)cc1 Amb18645390 [1,1,0,0,0,0|1,0,1]=4 2730 B12R1.1 N#CCCCc1ccc(O)cc1 Amb18645494 [1,1,0,0,0,0|1,0,1]=4 2731 B12R1.1 NCCCCN1C=CC(=O)C=C1 Amb18534870 [1,1,0,0,0,0|2,0,0]=4 2732 B12R1.1 NCCCCc1ccc(Br)cc1 Amb17195656 [1,1,0,0,0,0|1,0,0]=3 2733 B12R1.1 NCCCCc1ccc(Br)cn1 Amb33242740 [1,1,0,0,0,0|2,0,0]=4 2734 B12R1.1 NCCCCc1ccc(Br)nc1 Amb33388862 [1,1,0,0,0,0|2,0,0]=4 2735 B12R1.1 NCCCCc1ccc(Cl)cc1 Amb18015291 [1,1,0,0,0,0|1,0,0]=3 2736 B12R1.1 NCCCCc1ccc(Cl)cc1 Amb5735503 [1,1,0,0,0,0|1,0,0]=3 2737 B12R1.1 NCCCCc1ccc(Cl)cn1 Amb33221631 [1,1,0,0,0,0|2,0,0]=4 2738 B12R1.1 NCCCCc1ccc(Cl)nc1 Amb33261602 [1,1,0,0,0,0|2,0,0]=4 2739 B12R1.1 NCCCCc1ccc(F)cc1 Amb5735496 [1,1,0,0,0,0|1,0,0]=3 2740 B12R1.1 NCCCCc1ccc(F)cn1 Amb33315558 [1,1,0,0,0,0|2,0,0]=4 2741 B12R1.1 NCCCCc1ccc(F)nc1 Amb33425482 [1,1,0,0,0,0|2,0,0]=4 2742 B12R1.1 NCCCCc1ccc(I)cc1 Amb34912661 [1,1,0,0,0,0|1,0,0]=3 2743 B12R1.1 NCCCCc1ccc(O)cc1 Amb18828233 [1,1,0,0,0,0|1,0,0]=3 2744 B12R1.1 NCCCCc1ccc(O)cc1 Amb24117946 [1,1,0,0,0,0|1,0,0]=3 2745 B12R1.1 NCCCNc1ccc(Br)cc1 Amb17057730 [1,1,0,0,0,0|2,0,0]=4 2746 B12R1.1 NCCCNc1ccc(Cl)cc1 Amb17057729 [1,1,0,0,0,0|2,0,0]=4 2747 B12R1.1 NCCCNc1ccc(F)cc1 Amb17057726 [1,1,0,0,0,0|2,0,0]=4 2748 B12R1.1 NCCCNc1ccc(F)cc1 Amb32718813 [1,1,0,0,0,0|2,0,0]=4 2749 B12R1.1 NCCCNc1ccc(O)cc1 Amb27792819 [1,1,0,0,0,0|2,0,0]=4 2750 B12R1.1 NCCCOc1ccc(Br)cc1 Amb6273629 [1,1,0,0,0,0|2,0,0]=4 2751 B12R1.1 NCCCOc1ccc(Cl)cc1 Amb2721951 [1,1,0,0,0,0|2,0,0]=4 2752 B12R1.1 NCCCOc1ccc(Cl)cc1 Amb6760502 [1,1,0,0,0,0|2,0,0]=4 2753 B12R1.1 NCCCOc1ccc(F)cc1 Amb1108272 [1,1,0,0,0,0|2,0,0]=4 2754 B12R1.1 NCCCOc1ccc(F)cc1 Amb6760508 [1,1,0,0,0,0|2,0,0]=4 2755 B12R1.1 NCCCOc1ccc(O)cc1 Amb33171970 [1,1,0,0,0,0|2,0,0]=4 2756 B12R1.1 NCCCSc1ccc(Br)cc1 Amb8994750 [1,1,0,0,0,0|2,0,0]=4 2757 B12R1.1 NCCCSc1ccc(Cl)cc1 Amb21984207 [1,1,0,0,0,0|2,0,0]=4 2758 B12R1.1 NCCCSc1ccc(Cl)cc1 Amb6276730 [1,1,0,0,0,0|2,0,0]=4 2759 B12R1.1 NCCCSc1ccc(F)cc1 Amb162071 [1,1,0,0,0,0|2,0,0]=4 2760 B12R1.1 NCCCSc1ccc(F)cc1 Amb2370740 [1,1,0,0,0,0|2,0,0]=4 2761 B12R1.1 NCCNCc1ccc(Br)cc1 Amb19012729 [1,1,0,0,0,0|2,0,0]=4 2762 B12R1.1 NCCNCc1ccc(Cl)cc1 Amb10075508 [1,1,0,0,0,0|2,0,0]=4 2763 B12R1.1 NCCNCc1ccc(Cl)cc1 Amb29844474 [1,1,0,0,0,0|2,0,0]=4 2764 B12R1.1 NCCNCc1ccc(F)cc1 Amb10075507 [1,1,0,0,0,0|2,0,0]=4 2765 B12R1.1 NCCNCc1ccc(F)cc1 Amb29844476 [1,1,0,0,0,0|2,0,0]=4 2766 B12R1.1 NCCOCc1ccc(Br)cc1 Amb17061822 [1,1,0,0,0,0|2,0,0]=4 2767 B12R1.1 NCCOCc1ccc(Br)cc1 Amb31306656 [1,1,0,0,0,0|2,0,0]=4 2768 B12R1.1 NCCOCc1ccc(Cl)cc1 Amb6372391 [1,1,0,0,0,0|2,0,0]=4 2769 B12R1.1 NCCOCc1ccc(Cl)cc1 Amb6872147 [1,1,0,0,0,0|2,0,0]=4 2770 B12R1.1 NCCOCc1ccc(F)cc1 Amb17061819 [1,1,0,0,0,0|2,0,0]=4 2771 B12R1.1 NCCSCc1ccc(Br)cc1 Amb6271826 [1,1,0,0,0,0|2,0,0]=4 2772 B12R1.1 NCCSCc1ccc(Cl)cc1 Amb1214895 [1,1,0,0,0,0|2,0,0]=4 2773 B12R1.1 NCCSCc1ccc(Cl)cc1 Amb9677295 [1,1,0,0,0,0|2,0,0]=4 2774 B12R1.1 NCCSCc1ccc(F)cc1 Amb4477394 [1,1,0,0,0,0|2,0,0]=4 2775 B12R1.1 NCCSCc1ccc(F)cc1 Amb6384538 [1,1,0,0,0,0|2,0,0]=4 2776 B12R1.1 NCCSCc1ccc(I)cc1 Amb33321459 [1,1,0,0,0,0|2,0,0]=4 2777 B12R1.1 NNCCCc1ccc(Br)cc1 Amb33332201 [1,1,0,0,0,0|2,0,0]=4 2778 B12R1.1 NNCCCc1ccc(F)cc1 Amb33319704 [1,1,0,0,0,0|2,0,0]=4 2779 B12R1.1 NOCCCc1ccc(Br)cc1 Amb17089579 [1,1,0,0,0,0|2,0,0]=4 2780 B12R1.1 NOCCCc1ccc(Cl)cc1 Amb17089560 [1,1,0,0,0,0|2,0,0]=4 2781 B12R1.1 NOCCCc1ccc(F)cc1 Amb17089553 [1,1,0,0,0,0|2,0,0]=4 2782 B12R1.1 NOCCCc1ccc(O)cc1 Amb17089576 [1,1,0,0,0,0|2,0,0]=4 2783 B12R1.1 Nc1ccc(C#CCCO)cc1 Amb27790887 [1,1,0,0,0,0|0,0,2]=4 2784 B12R1.1 Nc1ccc(CCCCO)cc1 Amb18828232 [1,1,0,0,0,0|0,0,0]=2 2785 B12R1.1 Nc1ccc(CNCCO)cc1 Amb34915874 [1,1,0,0,0,0|1,0,0]=3 2786 B12R1.1 Nc1ccc(COCCO)cc1 Amb6681027 [1,1,0,0,0,0|1,0,0]=3 2787 B12R1.1 Nc1ccc(NCCCO)cn1 Amb8997312 [1,1,0,0,0,0|2,0,0]=4 2788 B12R1.1 Nc1ccc(NCCCO)nc1 Amb8997319 [1,1,0,0,0,0|2,0,0]=4 2789 B12R1.1 Nc1ccc(OCCCBr)cc1 Amb16230364 [1,1,0,0,0,0|2,0,0]=4 2790 B12R1.1 Nc1ccc(OCCCO)cc1 Amb8842571 [1,1,0,0,0,0|1,0,0]=3 2791 B12R1.1 Nc1ccc(OCCCO)cn1 Amb8842573 [1,1,0,0,0,0|2,0,0]=4 2792 B12R1.1 Nc1ccc(OCCCO)nc1 Amb8842582 [1,1,0,0,0,0|2,0,0]=4 2793 B12R1.1 Nc1ccc(OCCCS)cc1 Amb17504082 [1,1,0,0,0,0|1,1,0]=4 2794 B12R1.1 Nc1ccc(SCCCO)cc1 Amb33528193 [1,1,0,0,0,0|1,0,0]=3 2795 B12R1.1 O=CCCCc1ccc(Br)cc1 Amb17089176 [1,1,0,0,0,0|0,0,2]=4 2796 B12R1.1 O=CCCCc1ccc(Cl)cc1 Amb17089175 [1,1,0,0,0,0|0,0,2]=4 2797 B12R1.1 O=CCCCc1ccc(F)cc1 Amb17089174 [1,1,0,0,0,0|0,0,2]=4 2798 B12R1.1 O=CCCCc1ccc(O)cc1 Amb33359533 [1,1,0,0,0,0|0,0,2]=4 2799 B12R1.1 OCCC#Cc1ccc(Br)cc1 Amb35626016 [1,1,0,0,0,0|0,0,2]=4 2800 B12R1.1 OCCCCc1ccc(Br)cc1 Amb17089159 [1,1,0,0,0,0|0,0,0]=2 2801 B12R1.1 OCCCCc1ccc(Cl)cc1 Amb17089158 [1,1,0,0,0,0|0,0,0]=2 2802 B12R1.1 OCCCCc1ccc(F)cc1 Amb17089157 [1,1,0,0,0,0|0,0,0]=2 2803 B12R1.1 OCCCCc1ccc(O)cc1 Amb8439668 [1,1,0,0,0,0|0,0,0]=2 2804 B12R1.1 OCCCNc1ccc(Br)cc1 Amb17306798 [1,1,0,0,0,0|1,0,0]=3 2805 B12R1.1 OCCCNc1ccc(Br)cn1 Amb6629283 [1,1,0,0,0,0|2,0,0]=4 2806 B12R1.1 OCCCNc1ccc(Cl)cc1 Amb17307252 [1,1,0,0,0,0|1,0,0]=3 2807 B12R1.1 OCCCNc1ccc(F)cc1 Amb17306196 [1,1,0,0,0,0|1,0,0]=3 2808 B12R1.1 OCCCNc1ccc(I)cc1 Amb17306250 [1,1,0,0,0,0|1,0,0]=3 2809 B12R1.1 OCCCOc1ccc(Br)cc1 Amb9370654 [1,1,0,0,0,0|1,0,0]=3 2810 B12R1.1 OCCCOc1ccc(Br)cn1 Amb33249780 [1,1,0,0,0,0|2,0,0]=4 2811 B12R1.1 OCCCOc1ccc(Cl)cc1 Amb9248109 [1,1,0,0,0,0|1,0,0]=3 2812 B12R1.1 OCCCOc1ccc(F)cc1 Amb1109753 [1,1,0,0,0,0|1,0,0]=3 2813 B12R1.1 OCCCOc1ccc(I)cc1 Amb9247650 [1,1,0,0,0,0|1,0,0]=3 2814 B12R1.1 OCCCSc1ccc(Br)cc1 Amb9246689 [1,1,0,0,0,0|1,0,0]=3 2815 B12R1.1 OCCCSc1ccc(Cl)cc1 Amb9246615 [1,1,0,0,0,0|1,0,0]=3 2816 B12R1.1 OCCCSc1ccc(F)cc1 Amb9246741 [1,1,0,0,0,0|1,0,0]=3 2817 B12R1.1 OCCNCc1ccc(Br)cc1 Amb6857145 [1,1,0,0,0,0|1,0,0]=3 2818 B12R1.1 OCCNCc1ccc(Br)cc1 Amb8598766 [1,1,0,0,0,0|1,0,0]=3 2819 B12R1.1 OCCNCc1ccc(Br)cn1 Amb24080720 [1,1,0,0,0,0|2,0,0]=4 2820 B12R1.1 OCCNCc1ccc(Br)nc1 Amb21861807 [1,1,0,0,0,0|2,0,0]=4 2821 B12R1.1 OCCNCc1ccc(Cl)cc1 Amb6383150 [1,1,0,0,0,0|1,0,0]=3 2822 B12R1.1 OCCNCc1ccc(Cl)cc1 Amb837738 [1,1,0,0,0,0|1,0,0]=3 2823 B12R1.1 OCCNCc1ccc(Cl)nc1 Amb21861815 [1,1,0,0,0,0|2,0,0]=4 2824 B12R1.1 OCCNCc1ccc(Cl)nc1 Amb21988407 [1,1,0,0,0,0|2,0,0]=4 2825 B12R1.1 OCCNCc1ccc(F)cc1 Amb5837372 [1,1,0,0,0,0|1,0,0]=3 2826 B12R1.1 OCCNCc1ccc(F)cc1 Amb838081 [1,1,0,0,0,0|1,0,0]=3 2827 B12R1.1 OCCNCc1ccc(O)cc1 Amb7757010 [1,1,0,0,0,0|1,0,0]=3 2828 B12R1.1 OCCOCc1ccc(Cl)cc1 Amb2421036 [1,1,0,0,0,0|1,0,0]=3 2829 B12R1.1 OCCSCc1ccc(Br)cc1 Amb3568984 [1,1,0,0,0,0|1,0,0]=3 2830 B12R1.1 OCCSCc1ccc(Cl)nc1 Amb9362940 [1,1,0,0,0,0|2,0,0]=4 2831 B12R1.1 OCCSCc1ccc(F)cc1 Amb3568981 [1,1,0,0,0,0|1,0,0]=3 2832 B12R1.1 OCC\C=C\c1ccc(F)cc1 Amb24763739 [1,1,0,0,0,0|0,0,2]=4 2833 B12R1.1 OCC\N=C\c1ccc(O)cc1 Amb3354838 [1,1,0,0,0,0|1,0,1]=4 2834 B12R1.1 OC\C=C\Cc1ccc(Cl)cc1 Amb27662231 [1,1,0,0,0,0|0,0,2]=4 2835 B12R1.1 ONCCCc1ccc(Br)cc1 Amb33332152 [1,1,0,0,0,0|1,0,0]=3 2836 B12R1.1 ONCCCc1ccc(F)cc1 Amb33424314 [1,1,0,0,0,0|1,0,0]=3 2837 B12R1.1 ONCCOc1ccc(Br)cc1 Amb17088425 [1,1,0,0,0,0|2,0,0]=4 2838 B12R1.1 ONCCOc1ccc(Cl)cc1 Amb17088422 [1,1,0,0,0,0|2,0,0]=4 2839 B12R1.1 ONCCOc1ccc(F)cc1 Amb17088419 [1,1,0,0,0,0|2,0,0]=4 2840 B12R1.1 SCCCCc1ccc(Br)cc1 Amb17411242 [1,1,0,0,0,0|0,1,0]=3 2841 B12R1.1 SCCCCc1ccc(Cl)cc1 Amb17402392 [1,1,0,0,0,0|0,1,0]=3 2842 B12R1.1 SCCCOc1ccc(Br)cc1 Amb17258959 [1,1,0,0,0,0|1,1,0]=4 2843 B12R1.1 SCCCOc1ccc(Cl)cc1 Amb6663456 [1,1,0,0,0,0|1,1,0]=4 2844 B12R1.1 [C-]#[N+]CCCc1ccc(Br)cc1 Amb33332146 [1,1,0,0,0,0|1,0,1]=4 2845 B12R1.1 [C-]#[N+]CCCc1ccc(F)cc1 Amb26583428 [1,1,0,0,0,0|1,0,1]=4 2846 B12R1.27 C#CC(C)CCc1ccccc1 Amb32951850 [1,1,0,0,0,0|0,0,2]=4 2847 B12R1.27 C#CC(O)CCc1ccccc1 Amb25024201 [1,1,0,0,0,0|0,0,2]=4 2848 B12R1.27 C=C(CBr)CCc1ccccc1 Amb32951881 [1,1,0,0,0,0|1,0,1]=4 2849 B12R1.27 C=C(CCl)CCc1ccccc1 Amb32951884 [1,1,0,0,0,0|1,0,1]=4 2850 B12R1.27 C=C(CN)CCc1ccccc1 Amb32954092 [1,1,0,0,0,0|1,0,1]=4 2851 B12R1.27 C=CC(O)CCc1ccccc1 Amb33082669 [1,1,0,0,0,0|0,0,2]=4 2852 B12R1.27 CC(C#N)CCc1ccccc1 Amb8950031 [1,1,0,0,0,0|1,0,1]=4 2853 B12R1.27 CC(C=O)CCc1ccccc1 Amb4358580 [1,1,0,0,0,0|0,0,2]=4 2854 B12R1.27 CC(CBr)CCc1ccccc1 Amb32954572 [1,1,0,0,0,0|1,0,0]=3 2855 B12R1.27 CC(CBr)NCc1ccccc1 Amb28318958 [1,1,0,0,0,0|2,0,0]=4 2856 B12R1.27 CC(CCc1ccccc1)ON Amb32951848 [1,1,0,0,0,0|2,0,0]=4 2857 B12R1.27 CC(CCl)CNc1ccccc1 Amb22756334 [1,1,0,0,0,0|2,0,0]=4 2858 B12R1.27 CC(CN)CCc1ccccc1 Amb4358596 [1,1,0,0,0,0|1,0,0]=3 2859 B12R1.27 CC(CN)COc1ccccc1 Amb9029321 [1,1,0,0,0,0|2,0,0]=4 2860 B12R1.27 CC(CN)NCc1ccccc1 Amb18646179 [1,1,0,0,0,0|2,0,0]=4 2861 B12R1.27 CC(CN)OCc1ccccc1 Amb18312421 [1,1,0,0,0,0|2,0,0]=4 2862 B12R1.27 CC(CN)SCc1ccccc1 Amb19024833 [1,1,0,0,0,0|2,0,0]=4 2863 B12R1.27 CC(CO)CCc1ccccc1 Amb32413001 [1,1,0,0,0,0|0,0,0]=2 2864 B12R1.27 CC(CO)COc1ccccc1 Amb17232599 [1,1,0,0,0,0|1,0,0]=3 2865 B12R1.27 CC(CO)NCc1ccccc1 Amb2697658 [1,1,0,0,0,0|1,0,0]=3 2866 B12R1.27 CC(CO)NCc1ccccn1 Amb9359669 [1,1,0,0,0,0|2,0,0]=4 2867 B12R1.27 CC(CO)NCc1cccnc1 Amb9359842 [1,1,0,0,0,0|2,0,0]=4 2868 B12R1.27 CC(CO)NCc1ccncc1 Amb9359837 [1,1,0,0,0,0|2,0,0]=4 2869 B12R1.27 CC(CO)OCc1ccccc1 Amb25667474 [1,1,0,0,0,0|1,0,0]=3 2870 B12R1.27 CC(CS)NCc1ccccc1 Amb27606358 [1,1,0,0,0,0|1,1,0]=4 2871 B12R1.27 CC(\C=N\c1ccccc1)CO Amb20248421 [1,1,0,0,0,0|1,0,1]=4 2872 B12R1.27 CCC(=N)NCc1ccccc1 Amb24388885 [1,1,0,0,0,0|1,0,1]=4 2873 B12R1.27 CCC(=O)CCc1ccccc1 Amb3940674 [1,1,0,0,0,0|0,0,1]=3 2874 B12R1.27 CCC(=O)CNc1ccccc1 Amb27643385 [1,1,0,0,0,0|1,0,1]=4 2875 B12R1.27 CCC(=O)CSc1ccccc1 Amb4165963 [1,1,0,0,0,0|1,0,1]=4 2876 B12R1.27 CCC(=O)NCc1ccccc1 Amb3097295 [1,1,0,0,0,0|1,0,1]=4 2877 B12R1.27 CCC(=O)OCc1ccccc1 Amb6357157 [1,1,0,0,0,0|1,0,1]=4 2878 B12R1.27 CCC(=S)OCc1ccccc1 Amb28078330 [1,1,0,0,0,0|1,0,1]=4 2879 B12R1.27 CCC(C)CNc1cccnc1 Amb6719795 [1,1,0,0,0,0|2,0,0]=4 2880 B12R1.27 CCC(C)NCc1ccccc1 Amb5729099 [1,1,0,0,0,0|1,0,0]=3 2881 B12R1.27 CCC(C)NCc1ccccc1 Amb837601 [1,1,0,0,0,0|1,0,0]=3 2882 B12R1.27 CCC(C)NCc1ccccn1 Amb20673664 [1,1,0,0,0,0|2,0,0]=4 2883 B12R1.27 CCC(C)NCc1ccccn1 Amb6868322 [1,1,0,0,0,0|2,0,0]=4 2884 B12R1.27 CCC(C)NCc1ccccn1 Amb9749024 [1,1,0,0,0,0|2,0,0]=4 2885 B12R1.27 CCC(C)NCc1cccnc1 Amb20673665 [1,1,0,0,0,0|2,0,0]=4 2886 B12R1.27 CCC(C)NCc1cccnc1 Amb6864746 [1,1,0,0,0,0|2,0,0]=4 2887 B12R1.27 CCC(C)NCc1cccnc1 Amb9740406 [1,1,0,0,0,0|2,0,0]=4 2888 B12R1.27 CCC(C)NCc1ccncc1 Amb20673659 [1,1,0,0,0,0|2,0,0]=4 2889 B12R1.27 CCC(C)NCc1ccncc1 Amb6864745 [1,1,0,0,0,0|2,0,0]=4 2890 B12R1.27 CCC(C)NCc1ccncc1 Amb9740411 [1,1,0,0,0,0|2,0,0]=4 2891 B12R1.27 CCC(N)C#Cc1ccccc1 Amb27401916 [1,1,0,0,0,0|0,0,2]=4 2892 B12R1.27 CCC(N)CCc1ccccc1 Amb9031865 [1,1,0,0,0,0|0,0,0]=2 2893 B12R1.27 CCC(N)CNc1ccccc1 Amb19009674 [1,1,0,0,0,0|1,0,0]=3 2894 B12R1.27 CCC(N)CNc1ccncc1 Amb27247990 [1,1,0,0,0,0|2,0,0]=4 2895 B12R1.27 CCC(N)COc1ccccc1 Amb19029691 [1,1,0,0,0,0|1,0,0]=3 2896 B12R1.27 CCC(N)COc1ccccn1 Amb22522748 [1,1,0,0,0,0|2,0,0]=4 2897 B12R1.27 CCC(N)CSc1ccccc1 Amb17485970 [1,1,0,0,0,0|1,0,0]=3 2898 B12R1.27 CCC(N)CSc1ccccn1 Amb22642703 [1,1,0,0,0,0|2,0,0]=4 2899 B12R1.27 CCC(N)CSc1ccccn1 Amb32662279 [1,1,0,0,0,0|2,0,0]=4 2900 B12R1.27 CCC(O)C#Cc1ccccc1 Amb2721621 [1,1,0,0,0,0|0,0,2]=4 2901 B12R1.27 CCC(O)CCc1ccccc1 Amb17138574 [1,1,0,0,0,0|0,0,0]=2 2902 B12R1.27 CCC(O)CCc1cccnc1 Amb30584931 [1,1,0,0,0,0|1,0,0]=3 2903 B12R1.27 CCC(O)CNc1ccccc1 Amb13952005 [1,1,0,0,0,0|1,0,0]=3 2904 B12R1.27 CCC(O)CNc1ccncc1 Amb27595133 [1,1,0,0,0,0|2,0,0]=4 2905 B12R1.27 CCC(O)\C=C\c1ccccc1 Amb22546605 [1,1,0,0,0,0|0,0,2]=4 2906 B12R1.27 CC[C@@H](C)NCc1ccccc1 Amb28283155 [1,1,0,0,0,0|1,0,0]=3 2907 B12R1.27 CC[C@@H](O)CNc1ccccc1 Amb27793988 [1,1,0,0,0,0|1,0,0]=3 2908 B12R1.27 CC[C@H](N)C#Cc1ccccc1 Amb28076758 [1,1,0,0,0,0|0,0,2]=4 2909 B12R1.27 CC[C@H](N)CNc1ccccc1 Amb27965358 [1,1,0,0,0,0|1,0,0]=3 2910 B12R1.27 CC[C@H](O)CNc1ccccc1 Amb28071833 [1,1,0,0,0,0|1,0,0]=3 2911 B12R1.27 CC[C@H](O)\C=C\c1ccccc1 Amb27205385 [1,1,0,0,0,0|0,0,2]=4 2912 B12R1.27 CNC(=O)CCc1ccccc1 Amb3886651 [1,1,0,0,0,0|1,0,1]=4 2913 B12R1.27 CNC(=S)CCc1ccccc1 Amb4430624 [1,1,0,0,0,0|1,0,1]=4 2914 B12R1.27 CNC(C)CCc1ccccc1 Amb1138722 [1,1,0,0,0,0|1,0,0]=3 2915 B12R1.27 CNC(C)CCc1cccnc1 Amb17507452 [1,1,0,0,0,0|2,0,0]=4 2916 B12R1.27 CNC(C)CSc1ccccc1 Amb32663529 [1,1,0,0,0,0|2,0,0]=4 2917 B12R1.27 CNC(C)CSc1ccccc1 Amb32664540 [1,1,0,0,0,0|2,0,0]=4 2918 B12R1.27 CN[C@H](C)CNc1ccccc1 Amb28076762 [1,1,0,0,0,0|2,0,0]=4 2919 B12R1.27 COC(=O)CCc1ccccc1 Amb843216 [1,1,0,0,0,0|1,0,1]=4 2920 B12R1.27 CSC(C)CNc1ccccc1 Amb18312645 [1,1,0,0,0,0|2,0,0]=4 2921 B12R1.27 C[C@@H](CF)NCc1ccccc1 Amb28145925 [1,1,0,0,0,0|2,0,0]=4 2922 B12R1.27 C[C@@H](CN)NCc1ccccc1 Amb24396541 [1,1,0,0,0,0|2,0,0]=4 2923 B12R1.27 C[C@@H](CO)NCc1ccccc1 Amb19301927 [1,1,0,0,0,0|1,0,0]=3 2924 B12R1.27 C[C@@H](CO)OCc1ccccc1 Amb17609287 [1,1,0,0,0,0|1,0,0]=3 2925 B12R1.27 C[C@@H](CO)\N=C\c1ccccc1 Amb28190372 [1,1,0,0,0,0|1,0,1]=4 2926 B12R1.27 C[C@@H](\C=C\c1ccccc1)CO Amb27642008 [1,1,0,0,0,0|0,0,2]=4 2927 B12R1.27 C[C@H](CF)NCc1ccccc1 Amb28066677 [1,1,0,0,0,0|2,0,0]=4 2928 B12R1.27 C[C@H](CN)NCc1ccccc1 Amb25861224 [1,1,0,0,0,0|2,0,0]=4 2929 B12R1.27 C[C@H](CO)NCc1ccccc1 Amb19375302 [1,1,0,0,0,0|1,0,0]=3 2930 B12R1.27 C\C(=C\Cc1ccccc1)CO Amb17594048 [1,1,0,0,0,0|0,0,2]=4 2931 B12R1.27 N#CC(Br)CCc1ccccc1 Amb26518843 [1,1,0,0,0,0|1,0,1]=4 2932 B12R1.27 N#CC(N)CCc1ccccc1 Amb18999188 [1,1,0,0,0,0|1,0,1]=4 2933 B12R1.27 N=C(CO)OCc1ccccc1 Amb27598593 [1,1,0,0,0,0|1,0,1]=4 2934 B12R1.27 NC(CO)CCc1ccccc1 Amb18315307 [1,1,0,0,0,0|0,0,0]=2 2935 B12R1.27 NC(CO)CCc1ccccc1 Amb32753518 [1,1,0,0,0,0|0,0,0]=2 2936 B12R1.27 NC(CO)CCc1ccccn1 Amb18563729 [1,1,0,0,0,0|1,0,0]=3 2937 B12R1.27 NC(CO)CCc1cccnc1 Amb18563730 [1,1,0,0,0,0|1,0,0]=3 2938 B12R1.27 NC(CO)CCc1ccncc1 Amb18563732 [1,1,0,0,0,0|1,0,0]=3 2939 B12R1.27 NC(CO)CNc1ccccn1 Amb28194944 [1,1,0,0,0,0|2,0,0]=4 2940 B12R1.27 NC(CO)COc1ccccc1 Amb18563798 [1,1,0,0,0,0|1,0,0]=3 2941 B12R1.27 NC(\C=C\c1ccccc1)CO Amb32954713 [1,1,0,0,0,0|0,0,2]=4 2942 B12R1.27 NCC(=O)CCc1ccccc1 Amb18563587 [1,1,0,0,0,0|1,0,1]=4 2943 B12R1.27 NCC(=O)CCc1ccccc1 Amb35788694 [1,1,0,0,0,0|1,0,1]=4 2944 B12R1.27 NCC(F)CCc1ccccc1 Amb32953336 [1,1,0,0,0,0|1,0,0]=3 2945 B12R1.27 NCC(O)CCc1ccccc1 Amb18315280 [1,1,0,0,0,0|1,0,0]=3 2946 B12R1.27 NCC(O)CNc1ccccc1 Amb17138613 [1,1,0,0,0,0|2,0,0]=4 2947 B12R1.27 NCC(O)COc1ccccc1 Amb6365926 [1,1,0,0,0,0|2,0,0]=4 2948 B12R1.27 NCC(O)COc1ccccc1 Amb9710900 [1,1,0,0,0,0|2,0,0]=4 2949 B12R1.27 NCC(O)CSc1ccccc1 Amb6678669 [1,1,0,0,0,0|2,0,0]=4 2950 B12R1.27 NC[C@@H](O)CCc1ccccc1 Amb32952383 [1,1,0,0,0,0|1,0,0]=3 2951 B12R1.27 NC[C@@H](O)COc1ccccc1 Amb22747719 [1,1,0,0,0,0|2,0,0]=4 2952 B12R1.27 NC[C@H](O)CCc1ccccc1 Amb33081741 [1,1,0,0,0,0|1,0,0]=3 2953 B12R1.27 N[C@@H](CO)CCc1ccccc1 Amb32683468 [1,1,0,0,0,0|0,0,0]=2 2954 B12R1.27 N[C@@H](CO)CCc1ccccc1 Amb6308799 [1,1,0,0,0,0|0,0,0]=2 2955 B12R1.27 N[C@@H](CO)CNc1ccccc1 Amb27233028 [1,1,0,0,0,0|1,0,0]=3 2956 B12R1.27 N[C@@H](\C=C\c1ccccc1)CO Amb33081817 [1,1,0,0,0,0|0,0,2]=4 2957 B12R1.27 N[C@H](CO)CCc1ccccc1 Amb32683465 [1,1,0,0,0,0|0,0,0]=2 2958 B12R1.27 N[C@H](CO)CCc1ccccc1 Amb32683466 [1,1,0,0,0,0|0,0,0]=2 2959 B12R1.27 N[C@H](CO)OCc1ccccc1 Amb27633618 [1,1,0,0,0,0|1,0,0]=3 2960 B12R1.27 N[C@H](\C=C\c1ccccc1)CO Amb32953226 [1,1,0,0,0,0|0,0,2]=4 2961 B12R1.27 N\C(CCc1ccccc1)=N/O Amb1115853 [1,1,0,0,0,0|1,0,1]=4 2962 B12R1.27 N\C(CCc1ccccc1)=N\O Amb22053006 [1,1,0,0,0,0|1,0,1]=4 2963 B12R1.27 O=C(CBr)CCc1ccccc1 Amb20171375 [1,1,0,0,0,0|1,0,1]=4 2964 B12R1.27 O=C(CCc1ccccc1)NO Amb6277186 [1,1,0,0,0,0|1,0,1]=4 2965 B12R1.27 O=C(CCl)CCc1ccccc1 Amb17139043 [1,1,0,0,0,0|1,0,1]=4 2966 B12R1.27 O=C(CO)CCc1ccccc1 Amb18563609 [1,1,0,0,0,0|0,0,1]=3 2967 B12R1.27 O=C(CO)CCc1ccccn1 Amb18563673 [1,1,0,0,0,0|1,0,1]=4 2968 B12R1.27 O=C(CO)CCc1cccnc1 Amb18563674 [1,1,0,0,0,0|1,0,1]=4 2969 B12R1.27 O=C(CO)CCc1ccncc1 Amb18563675 [1,1,0,0,0,0|1,0,1]=4 2970 B12R1.27 O=C(CO)COc1ccccc1 Amb18563713 [1,1,0,0,0,0|1,0,1]=4 2971 B12R1.27 O=C(CO)NCc1ccccc1 Amb1111331 [1,1,0,0,0,0|1,0,1]=4 2972 B12R1.27 O=C(CO)OCc1ccccc1 Amb3939223 [1,1,0,0,0,0|1,0,1]=4 2973 B12R1.27 OC(CBr)CCc1ccccc1 Amb32951853 [1,1,0,0,0,0|1,0,0]=3 2974 B12R1.27 OC(CCl)CCc1ccccc1 Amb32954413 [1,1,0,0,0,0|1,0,0]=3 2975 B12R1.27 OC(CCl)CNc1ccccc1 Amb10565986 [1,1,0,0,0,0|2,0,0]=4 2976 B12R1.27 OC(CCl)COc1ccccc1 Amb9787566 [1,1,0,0,0,0|2,0,0]=4 2977 B12R1.27 OC(CCl)CSc1ccccc1 Amb32421552 [1,1,0,0,0,0|2,0,0]=4 2978 B12R1.27 OC(CF)CCc1ccccc1 Amb32954420 [1,1,0,0,0,0|1,0,0]=3 2979 B12R1.27 OC(CF)CNc1ccccc1 Amb26517065 [1,1,0,0,0,0|2,0,0]=4 2980 B12R1.27 OC(CF)COc1ccccc1 Amb32661710 [1,1,0,0,0,0|2,0,0]=4 2981 B12R1.27 OCC(=S)OCc1ccccc1 Amb27835138 [1,1,0,0,0,0|1,0,1]=4 2982 B12R1.27 OCC(F)COc1ccccc1 Amb32661700 [1,1,0,0,0,0|1,0,0]=3 2983 B12R1.27 OCC(F)\C=C\c1ccccc1 Amb27593937 [1,1,0,0,0,0|0,0,2]=4 2984 B12R1.27 OCC(O)CCc1ccccc1 Amb17508778 [1,1,0,0,0,0|0,0,0]=2 2985 B12R1.27 OCC(O)CNc1ccccn1 Amb27265848 [1,1,0,0,0,0|2,0,0]=4 2986 B12R1.27 OCC(O)COc1ccccc1 Amb532993 [1,1,0,0,0,0|1,0,0]=3 2987 B12R1.27 OCC(O)\C=C\c1ccccc1 Amb32953203 [1,1,0,0,0,0|0,0,2]=4 2988 B12R1.27 OC[C@@H](O)COc1ccccc1 Amb30621933 [1,1,0,0,0,0|1,0,0]=3 2989 B12R1.27 OC[C@@H](O)OCc1ccccc1 Amb28065346 [1,1,0,0,0,0|1,0,0]=3 2990 B12R1.27 OC[C@H](O)CNc1ccccc1 Amb27238799 [1,1,0,0,0,0|1,0,0]=3 2991 B12R1.27 OC[C@H](O)COc1ccccc1 Amb10982588 [1,1,0,0,0,0|1,0,0]=3 2992 B12R1.27 OC[C@H](O)\C=C\c1ccccc1 Amb28410835 [1,1,0,0,0,0|0,0,2]=4 2993 B12R1.27 O\N=C(/Cl)CCc1ccccc1 Amb32661748 [1,1,0,0,0,0|1,0,1]=4 2994 B12R1.27 [C-]#[N+]C(C)CCc1ccccc1 Amb2689630 [1,1,0,0,0,0|1,0,1]=4 2995 B12R1.28 BrCCCCc1cccc(Br)c1 Amb34914035 [1,1,0,0,0,0|1,0,0]=3 2996 B12R1.28 BrCCCOc1cccc(I)c1 Amb8838635 [1,1,0,0,0,0|2,0,0]=4 2997 B12R1.28 C#CCCCc1cccc(Br)c1 Amb33433763 [1,1,0,0,0,0|0,0,2]=4 2998 B12R1.28 CCCC#Cc1cccc(C)c1 Amb26604761 [1,1,0,0,0,0|0,0,2]=4 2999 B12R1.28 CCCC#Cc1cccc(Cl)c1 Amb28124858 [1,1,0,0,0,0|0,0,2]=4 3000 B12R1.28 CCCC#Cc1cccc(F)c1 Amb25221923 [1,1,0,0,0,0|0,0,2]=4 3001 B12R1.28 CCCC#Cc1cccc(I)c1 Amb24604509 [1,1,0,0,0,0|0,0,2]=4 3002 B12R1.28 CCCC#Cc1cccc(N)c1 Amb25863654 [1,1,0,0,0,0|0,0,2]=4 3003 B12R1.28 CCCC#Cc1cccc(O)c1 Amb24568856 [1,1,0,0,0,0|0,0,2]=4 3004 B12R1.28 CCCCCc1cccc(F)c1 Amb22235097 [1,1,0,0,0,0|0,0,0]=2 3005 B12R1.28 CCCCCc1cccc(O)c1 Amb8388639 [1,1,0,0,0,0|0,0,0]=2 3006 B12R1.28 CCCCNc1cc(N)ccn1 Amb17334646 [1,1,0,0,0,0|2,0,0]=4 3007 B12R1.28 CCCCNc1cccc(Br)c1 Amb6696673 [1,1,0,0,0,0|1,0,0]=3 3008 B12R1.28 CCCCNc1cccc(C)c1 Amb6684517 [1,1,0,0,0,0|1,0,0]=3 3009 B12R1.28 CCCCNc1cccc(Cl)c1 Amb6695729 [1,1,0,0,0,0|1,0,0]=3 3010 B12R1.28 CCCCNc1cccc(F)c1 Amb6695886 [1,1,0,0,0,0|1,0,0]=3 3011 B12R1.28 CCCCNc1cccc(F)n1 Amb18177869 [1,1,0,0,0,0|2,0,0]=4 3012 B12R1.28 CCCCNc1cccc(I)c1 Amb19232035 [1,1,0,0,0,0|1,0,0]=3 3013 B12R1.28 CCCCNc1cccc(I)c1 Amb7760185 [1,1,0,0,0,0|1,0,0]=3 3014 B12R1.28 CCCCNc1cccc(N)n1 Amb28042682 [1,1,0,0,0,0|2,0,0]=4 3015 B12R1.28 CCCCNc1ccnc(Br)c1 Amb28044099 [1,1,0,0,0,0|2,0,0]=4 3016 B12R1.28 CCCCNc1ccnc(Cl)c1 Amb28078269 [1,1,0,0,0,0|2,0,0]=4 3017 B12R1.28 CCCCNc1cncc(Br)c1 Amb23450120 [1,1,0,0,0,0|2,0,0]=4 3018 B12R1.28 CCCCNc1cncc(F)c1 Amb27984465 [1,1,0,0,0,0|2,0,0]=4 3019 B12R1.28 CCCCNc1cncc(N)c1 Amb27416635 [1,1,0,0,0,0|2,0,0]=4 3020 B12R1.28 CCCCOc1cc(Br)ccn1 Amb22276477 [1,1,0,0,0,0|2,0,0]=4 3021 B12R1.28 CCCCOc1cc(Cl)ccn1 Amb22276195 [1,1,0,0,0,0|2,0,0]=4 3022 B12R1.28 CCCCOc1cc(N)ccn1 Amb18798584 [1,1,0,0,0,0|2,0,0]=4 3023 B12R1.28 CCCCOc1cccc(Br)c1 Amb6665074 [1,1,0,0,0,0|1,0,0]=3 3024 B12R1.28 CCCCOc1cccc(Br)n1 Amb19959446 [1,1,0,0,0,0|2,0,0]=4 3025 B12R1.28 CCCCOc1cccc(N)c1 Amb1132055 [1,1,0,0,0,0|1,0,0]=3 3026 B12R1.28 CCCCOc1cccc(N)c1 Amb2140562 [1,1,0,0,0,0|1,0,0]=3 3027 B12R1.28 CCCCOc1cccc(O)c1 Amb3939658 [1,1,0,0,0,0|1,0,0]=3 3028 B12R1.28 CCCCOc1cccc([NH3+])c1 Amb22483190 [1,1,0,0,0,0|1,0,0]=3 3029 B12R1.28 CCCCSc1cc(Cl)ccn1 Amb22236363 [1,1,0,0,0,0|2,0,0]=4 3030 B12R1.28 CCCNCC1=CC=CC(=O)N1 Amb32721815 [1,1,0,0,0,0|2,0,0]=4 3031 B12R1.28 CCCNCc1cccc(Br)c1 Amb1922696 [1,1,0,0,0,0|1,0,0]=3 3032 B12R1.28 CCCNCc1cccc(Br)c1 Amb6864727 [1,1,0,0,0,0|1,0,0]=3 3033 B12R1.28 CCCNCc1cccc(C)c1 Amb20673492 [1,1,0,0,0,0|1,0,0]=3 3034 B12R1.28 CCCNCc1cccc(C)c1 Amb6268946 [1,1,0,0,0,0|1,0,0]=3 3035 B12R1.28 CCCNCc1cccc(C)n1 Amb2592512 [1,1,0,0,0,0|2,0,0]=4 3036 B12R1.28 CCCNCc1cccc(Cl)c1 Amb1923473 [1,1,0,0,0,0|1,0,0]=3 3037 B12R1.28 CCCNCc1cccc(Cl)c1 Amb6865252 [1,1,0,0,0,0|1,0,0]=3 3038 B12R1.28 CCCNCc1cccc(F)c1 Amb20673497 [1,1,0,0,0,0|1,0,0]=3 3039 B12R1.28 CCCNCc1cccc(F)c1 Amb6267755 [1,1,0,0,0,0|1,0,0]=3 3040 B12R1.28 CCCNCc1cccc(O)c1 Amb20673478 [1,1,0,0,0,0|1,0,0]=3 3041 B12R1.28 CCCNCc1cccc(O)c1 Amb6263095 [1,1,0,0,0,0|1,0,0]=3 3042 B12R1.28 CCCNCc1cncc(Br)c1 Amb9214731 [1,1,0,0,0,0|2,0,0]=4 3043 B12R1.28 CCCOCc1cccc(N)c1 Amb8874545 [1,1,0,0,0,0|1,0,0]=3 3044 B12R1.28 CCC\N=C\c1cccc(Br)c1 Amb27762898 [1,1,0,0,0,0|1,0,1]=4 3045 B12R1.28 CCNCCc1cccc(Br)c1 Amb17407066 [1,1,0,0,0,0|1,0,0]=3 3046 B12R1.28 CCNCCc1cccc(C)c1 Amb17193871 [1,1,0,0,0,0|1,0,0]=3 3047 B12R1.28 CCNCCc1cccc(Cl)c1 Amb5785538 [1,1,0,0,0,0|1,0,0]=3 3048 B12R1.28 CCNCCc1cccc(F)c1 Amb8841507 [1,1,0,0,0,0|1,0,0]=3 3049 B12R1.28 CCNCCc1cccc(N)c1 Amb18550383 [1,1,0,0,0,0|1,0,0]=3 3050 B12R1.28 CNCCCc1cccc(Br)c1 Amb17104522 [1,1,0,0,0,0|1,0,0]=3 3051 B12R1.28 CNCCCc1cccc(C)c1 Amb17104500 [1,1,0,0,0,0|1,0,0]=3 3052 B12R1.28 CNCCCc1cccc(Cl)c1 Amb17104508 [1,1,0,0,0,0|1,0,0]=3 3053 B12R1.28 CNCCCc1cccc(F)c1 Amb17605539 [1,1,0,0,0,0|1,0,0]=3 3054 B12R1.28 CNCCNc1cccc(Cl)c1 Amb19025283 [1,1,0,0,0,0|2,0,0]=4 3055 B12R1.28 CNCCNc1cccc(F)c1 Amb19025285 [1,1,0,0,0,0|2,0,0]=4 3056 B12R1.28 CNCCOc1cccc(Br)c1 Amb7760944 [1,1,0,0,0,0|2,0,0]=4 3057 B12R1.28 CNCCOc1cccc(C)c1 Amb1670237 [1,1,0,0,0,0|2,0,0]=4 3058 B12R1.28 CNCCOc1cccc(C)c1 Amb2140579 [1,1,0,0,0,0|2,0,0]=4 3059 B12R1.28 CNCCOc1cccc(Cl)c1 Amb1106194 [1,1,0,0,0,0|2,0,0]=4 3060 B12R1.28 CNCCOc1cccc(F)c1 Amb2132298 [1,1,0,0,0,0|2,0,0]=4 3061 B12R1.28 CNCCOc1cccc(F)c1 Amb857098 [1,1,0,0,0,0|2,0,0]=4 3062 B12R1.28 CNCCOc1cccc(N)c1 Amb17232614 [1,1,0,0,0,0|2,0,0]=4 3063 B12R1.28 COCCNc1cccc(Br)c1 Amb6712246 [1,1,0,0,0,0|2,0,0]=4 3064 B12R1.28 COCCNc1cccc(C)c1 Amb6706720 [1,1,0,0,0,0|2,0,0]=4 3065 B12R1.28 COCCNc1cccc(Cl)c1 Amb6711841 [1,1,0,0,0,0|2,0,0]=4 3066 B12R1.28 COCCNc1cccc(F)c1 Amb6711904 [1,1,0,0,0,0|2,0,0]=4 3067 B12R1.28 COCCNc1cccc(I)c1 Amb7763650 [1,1,0,0,0,0|2,0,0]=4 3068 B12R1.28 COCCOc1cccc(Br)c1 Amb6256783 [1,1,0,0,0,0|2,0,0]=4 3069 B12R1.28 COCCOc1cccc(I)c1 Amb32414014 [1,1,0,0,0,0|2,0,0]=4 3070 B12R1.28 COCCOc1cccc(N)c1 Amb1995345 [1,1,0,0,0,0|2,0,0]=4 3071 B12R1.28 COCCOc1cccc(N)c1 Amb2189171 [1,1,0,0,0,0|2,0,0]=4 3072 B12R1.28 COCCOc1cccc(O)c1 Amb9211000 [1,1,0,0,0,0|2,0,0]=4 3073 B12R1.28 COCOCc1cccc(F)c1 Amb28464085 [1,1,0,0,0,0|2,0,0]=4 3074 B12R1.28 CSCCNc1cccc(Cl)c1 Amb27799357 [1,1,0,0,0,0|2,0,0]=4 3075 B12R1.28 CSCCNc1cccc(N)c1 Amb27975120 [1,1,0,0,0,0|2,0,0]=4 3076 B12R1.28 CSCCOc1cccc(N)c1 Amb17504021 [1,1,0,0,0,0|2,0,0]=4 3077 B12R1.28 Cc1cc(CCCCN)ccn1 Amb32733007 [1,1,0,0,0,0|2,0,0]=4 3078 B12R1.28 Cc1cccc(CCCC#N)c1 Amb25921744 [1,1,0,0,0,0|1,0,1]=4 3079 B12R1.28 Cc1cccc(CCCC=O)c1 Amb33474174 [1,1,0,0,0,0|0,0,2]=4 3080 B12R1.28 Cc1cccc(CCCCBr)c1 Amb34914030 [1,1,0,0,0,0|1,0,0]=3 3081 B12R1.28 Cc1cccc(CCCCI)c1 Amb34914023 [1,1,0,0,0,0|1,0,0]=3 3082 B12R1.28 Cc1cccc(CCCCN)c1 Amb5735493 [1,1,0,0,0,0|1,0,0]=3 3083 B12R1.28 Cc1cccc(CCCCN)n1 Amb33172172 [1,1,0,0,0,0|2,0,0]=4 3084 B12R1.28 Cc1cccc(CCCCO)c1 Amb34913399 [1,1,0,0,0,0|0,0,0]=2 3085 B12R1.28 Cc1cccc(CCCCO)n1 Amb23441243 [1,1,0,0,0,0|1,0,0]=3 3086 B12R1.28 Cc1cccc(CCCCS)c1 Amb18564155 [1,1,0,0,0,0|0,1,0]=3 3087 B12R1.28 Cc1cccc(CCCON)c1 Amb17089550 [1,1,0,0,0,0|2,0,0]=4 3088 B12R1.28 Cc1cccc(CNCCN)c1 Amb10075511 [1,1,0,0,0,0|2,0,0]=4 3089 B12R1.28 Cc1cccc(CNCCO)c1 Amb28872365 [1,1,0,0,0,0|1,0,0]=3 3090 B12R1.28 Cc1cccc(CNCCO)c1 Amb7757042 [1,1,0,0,0,0|1,0,0]=3 3091 B12R1.28 Cc1cccc(CNCCO)n1 Amb2592517 [1,1,0,0,0,0|2,0,0]=4 3092 B12R1.28 Cc1cccc(COCCN)c1 Amb17061815 [1,1,0,0,0,0|2,0,0]=4 3093 B12R1.28 Cc1cccc(CSCCN)c1 Amb6384541 [1,1,0,0,0,0|2,0,0]=4 3094 B12R1.28 Cc1cccc(CSCCN)c1 Amb844774 [1,1,0,0,0,0|2,0,0]=4 3095 B12R1.28 Cc1cccc(CSCCO)c1 Amb9273886 [1,1,0,0,0,0|1,0,0]=3 3096 B12R1.28 Cc1cccc(NCCCN)c1 Amb17057722 [1,1,0,0,0,0|2,0,0]=4 3097 B12R1.28 Cc1cccc(OCCCBr)c1 Amb1675755 [1,1,0,0,0,0|2,0,0]=4 3098 B12R1.28 Cc1cccc(OCCCCl)c1 Amb1138744 [1,1,0,0,0,0|2,0,0]=4 3099 B12R1.28 Cc1cccc(OCCCN)c1 Amb1108604 [1,1,0,0,0,0|2,0,0]=4 3100 B12R1.28 Cc1cccc(OCCCN)c1 Amb1221739 [1,1,0,0,0,0|2,0,0]=4 3101 B12R1.28 Cc1cccc(OCCCO)c1 Amb9004309 [1,1,0,0,0,0|1,0,0]=3 3102 B12R1.28 Cc1cccc(OCCCS)c1 Amb6255373 [1,1,0,0,0,0|1,1,0]=4 3103 B12R1.28 Cc1cccc(OCCNO)c1 Amb17088415 [1,1,0,0,0,0|2,0,0]=4 3104 B12R1.28 Cc1cccc(SCCCN)c1 Amb17083071 [1,1,0,0,0,0|2,0,0]=4 3105 B12R1.28 Cc1ccnc(CCCCN)c1 Amb18828700 [1,1,0,0,0,0|2,0,0]=4 3106 B12R1.28 Cc1cncc(CCCCN)c1 Amb33317648 [1,1,0,0,0,0|2,0,0]=4 3107 B12R1.28 ClCCCNc1cccc(Cl)c1 Amb27759269 [1,1,0,0,0,0|2,0,0]=4 3108 B12R1.28 ClCCCOc1cccc(Br)c1 Amb1128139 [1,1,0,0,0,0|2,0,0]=4 3109 B12R1.28 ClCCCOc1cccc(Cl)c1 Amb1126449 [1,1,0,0,0,0|2,0,0]=4 3110 B12R1.28 Clc1cccc(CCCCBr)c1 Amb32668134 [1,1,0,0,0,0|1,0,0]=3 3111 B12R1.28 Clc1cccc(OCCCBr)c1 Amb8517102 [1,1,0,0,0,0|2,0,0]=4 3112 B12R1.28 FCCCNc1cccc(I)c1 Amb28206460 [1,1,0,0,0,0|2,0,0]=4 3113 B12R1.28 Fc1cccc(CCCCBr)c1 Amb34914038 [1,1,0,0,0,0|1,0,0]=3 3114 B12R1.28 Fc1cccc(CCCCS)c1 Amb18564294 [1,1,0,0,0,0|0,1,0]=3 3115 B12R1.28 Fc1cccc(CSCCCl)c1 Amb535067 [1,1,0,0,0,0|2,0,0]=4 3116 B12R1.28 Fc1cccc(OCCCBr)c1 Amb9209725 [1,1,0,0,0,0|2,0,0]=4 3117 B12R1.28 Fc1cccc(OCCCCl)c1 Amb1129297 [1,1,0,0,0,0|2,0,0]=4 3118 B12R1.28 Fc1cccc(OCCCS)c1 Amb17234297 [1,1,0,0,0,0|1,1,0]=4 3119 B12R1.28 N#CCCCc1cccc(Br)c1 Amb25890631 [1,1,0,0,0,0|1,0,1]=4 3120 B12R1.28 N#CCCCc1cccc(Cl)c1 Amb25891931 [1,1,0,0,0,0|1,0,1]=4 3121 B12R1.28 N#CCCCc1cccc(F)c1 Amb27412306 [1,1,0,0,0,0|1,0,1]=4 3122 B12R1.28 N#CCCCc1cccc(O)c1 Amb25982049 [1,1,0,0,0,0|1,0,1]=4 3123 B12R1.28 NCCCCc1cc(F)ccn1 Amb33325521 [1,1,0,0,0,0|2,0,0]=4 3124 B12R1.28 NCCCCc1cccc(Br)c1 Amb18549204 [1,1,0,0,0,0|1,0,0]=3 3125 B12R1.28 NCCCCc1cccc(Br)n1 Amb33433540 [1,1,0,0,0,0|2,0,0]=4 3126 B12R1.28 NCCCCc1cccc(Cl)c1 Amb5735502 [1,1,0,0,0,0|1,0,0]=3 3127 B12R1.28 NCCCCc1cccc(Cl)n1 Amb33222639 [1,1,0,0,0,0|2,0,0]=4 3128 B12R1.28 NCCCCc1cccc(F)c1 Amb18563815 [1,1,0,0,0,0|1,0,0]=3 3129 B12R1.28 NCCCCc1cccc(O)c1 Amb32954959 [1,1,0,0,0,0|1,0,0]=3 3130 B12R1.28 NCCCCc1ccnc(N)c1 Amb30584932 [1,1,0,0,0,0|2,0,0]=4 3131 B12R1.28 NCCCCc1ccnc(N)c1 Amb32674913 [1,1,0,0,0,0|2,0,0]=4 3132 B12R1.28 NCCCCc1cncc(Br)c1 Amb33451436 [1,1,0,0,0,0|2,0,0]=4 3133 B12R1.28 NCCCCc1cncc(F)c1 Amb33195633 [1,1,0,0,0,0|2,0,0]=4 3134 B12R1.28 NCCCNc1cccc(Br)c1 Amb26015621 [1,1,0,0,0,0|2,0,0]=4 3135 B12R1.28 NCCCNc1cccc(Cl)c1 Amb17057728 [1,1,0,0,0,0|2,0,0]=4 3136 B12R1.28 NCCCNc1cccc(F)c1 Amb17057725 [1,1,0,0,0,0|2,0,0]=4 3137 B12R1.28 NCCCNc1cccc(F)c1 Amb33535186 [1,1,0,0,0,0|2,0,0]=4 3138 B12R1.28 NCCCOc1cccc(Br)c1 Amb6273208 [1,1,0,0,0,0|2,0,0]=4 3139 B12R1.28 NCCCOc1cccc(Cl)c1 Amb6281701 [1,1,0,0,0,0|2,0,0]=4 3140 B12R1.28 NCCCOc1cccc(Cl)c1 Amb6760501 [1,1,0,0,0,0|2,0,0]=4 3141 B12R1.28 NCCCOc1cccc(F)c1 Amb1140971 [1,1,0,0,0,0|2,0,0]=4 3142 B12R1.28 NCCCOc1cccc(F)c1 Amb30584827 [1,1,0,0,0,0|2,0,0]=4 3143 B12R1.28 NCCCOc1cccc(O)c1 Amb33474154 [1,1,0,0,0,0|2,0,0]=4 3144 B12R1.28 NCCCSc1cccc(Cl)c1 Amb17083080 [1,1,0,0,0,0|2,0,0]=4 3145 B12R1.28 NCCNCc1cccc(Br)c1 Amb19005476 [1,1,0,0,0,0|2,0,0]=4 3146 B12R1.28 NCCNCc1cccc(Cl)c1 Amb10075509 [1,1,0,0,0,0|2,0,0]=4 3147 B12R1.28 NCCNCc1cccc(Cl)c1 Amb29844473 [1,1,0,0,0,0|2,0,0]=4 3148 B12R1.28 NCCNCc1cccc(F)c1 Amb10075489 [1,1,0,0,0,0|2,0,0]=4 3149 B12R1.28 NCCNCc1cccc(F)c1 Amb29844479 [1,1,0,0,0,0|2,0,0]=4 3150 B12R1.28 NCCNCc1cccc(O)c1 Amb19005503 [1,1,0,0,0,0|2,0,0]=4 3151 B12R1.28 NCCOCc1cccc(Br)c1 Amb17061821 [1,1,0,0,0,0|2,0,0]=4 3152 B12R1.28 NCCOCc1cccc(Cl)c1 Amb17061820 [1,1,0,0,0,0|2,0,0]=4 3153 B12R1.28 NCCOCc1cccc(Cl)c1 Amb33550341 [1,1,0,0,0,0|2,0,0]=4 3154 B12R1.28 NCCOCc1cccc(F)c1 Amb17061818 [1,1,0,0,0,0|2,0,0]=4 3155 B12R1.28 NCCSCc1cccc(Br)c1 Amb6270677 [1,1,0,0,0,0|2,0,0]=4 3156 B12R1.28 NCCSCc1cccc(Cl)c1 Amb6384537 [1,1,0,0,0,0|2,0,0]=4 3157 B12R1.28 NCCSCc1cccc(Cl)c1 Amb844820 [1,1,0,0,0,0|2,0,0]=4 3158 B12R1.28 NCCSCc1cccc(F)c1 Amb6263657 [1,1,0,0,0,0|2,0,0]=4 3159 B12R1.28 NCCSCc1cccc(I)c1 Amb28989359 [1,1,0,0,0,0|2,0,0]=4 3160 B12R1.28 NNCCCc1cccc(Br)c1 Amb33263663 [1,1,0,0,0,0|2,0,0]=4 3161 B12R1.28 NOCCCc1cccc(Br)c1 Amb17089578 [1,1,0,0,0,0|2,0,0]=4 3162 B12R1.28 NOCCCc1cccc(Cl)c1 Amb17089559 [1,1,0,0,0,0|2,0,0]=4 3163 B12R1.28 NOCCCc1cccc(O)c1 Amb17089577 [1,1,0,0,0,0|2,0,0]=4 3164 B12R1.28 Nc1cc(CSCCO)ccn1 Amb18311356 [1,1,0,0,0,0|2,0,0]=4 3165 B12R1.28 Nc1cccc(OCCCF)c1 Amb23539406 [1,1,0,0,0,0|2,0,0]=4 3166 B12R1.28 Nc1cccc(OCCCO)c1 Amb8868223 [1,1,0,0,0,0|1,0,0]=3 3167 B12R1.28 Nc1ccnc(OCCCO)c1 Amb18799037 [1,1,0,0,0,0|2,0,0]=4 3168 B12R1.28 O=CCCCc1cccc(Br)c1 Amb18048776 [1,1,0,0,0,0|0,0,2]=4 3169 B12R1.28 O=CCCCc1cccc(Cl)c1 Amb33406790 [1,1,0,0,0,0|0,0,2]=4 3170 B12R1.28 O=CCCCc1cccc(F)c1 Amb33449550 [1,1,0,0,0,0|0,0,2]=4 3171 B12R1.28 O=CCCCc1cccc(O)c1 Amb33358761 [1,1,0,0,0,0|0,0,2]=4 3172 B12R1.28 OCCC#Cc1cccc(Br)c1 Amb28044184 [1,1,0,0,0,0|0,0,2]=4 3173 B12R1.28 OCCCCc1cccc(Br)c1 Amb20668830 [1,1,0,0,0,0|0,0,0]=2 3174 B12R1.28 OCCCCc1cccc(Cl)c1 Amb32667642 [1,1,0,0,0,0|0,0,0]=2 3175 B12R1.28 OCCCCc1cccc(F)c1 Amb34913274 [1,1,0,0,0,0|0,0,0]=2 3176 B12R1.28 OCCCNc1cccc(Cl)c1 Amb17307144 [1,1,0,0,0,0|1,0,0]=3 3177 B12R1.28 OCCCNc1cccc(Cl)n1 Amb21958816 [1,1,0,0,0,0|2,0,0]=4 3178 B12R1.28 OCCCNc1cccc(F)c1 Amb17306246 [1,1,0,0,0,0|1,0,0]=3 3179 B12R1.28 OCCCNc1ccnc(F)c1 Amb27204977 [1,1,0,0,0,0|2,0,0]=4 3180 B12R1.28 OCCCNc1cncc(Br)c1 Amb24410008 [1,1,0,0,0,0|2,0,0]=4 3181 B12R1.28 OCCCNc1cncc(Cl)c1 Amb35706920 [1,1,0,0,0,0|2,0,0]=4 3182 B12R1.28 OCCCOc1cccc(Br)c1 Amb9370679 [1,1,0,0,0,0|1,0,0]=3 3183 B12R1.28 OCCCOc1cccc(Cl)c1 Amb9247635 [1,1,0,0,0,0|1,0,0]=3 3184 B12R1.28 OCCCOc1cccc(Cl)n1 Amb33140929 [1,1,0,0,0,0|2,0,0]=4 3185 B12R1.28 OCCCOc1cccc(F)c1 Amb9370688 [1,1,0,0,0,0|1,0,0]=3 3186 B12R1.28 OCCCOc1cccc(I)c1 Amb9370548 [1,1,0,0,0,0|1,0,0]=3 3187 B12R1.28 OCCCOc1cncc(Br)c1 Amb32411569 [1,1,0,0,0,0|2,0,0]=4 3188 B12R1.28 OCCNCc1cccc(Br)c1 Amb6857164 [1,1,0,0,0,0|1,0,0]=3 3189 B12R1.28 OCCNCc1cccc(Br)c1 Amb8604245 [1,1,0,0,0,0|1,0,0]=3 3190 B12R1.28 OCCNCc1cccc(Cl)c1 Amb22284257 [1,1,0,0,0,0|1,0,0]=3 3191 B12R1.28 OCCNCc1cccc(Cl)c1 Amb4303946 [1,1,0,0,0,0|1,0,0]=3 3192 B12R1.28 OCCNCc1cccc(F)c1 Amb24271193 [1,1,0,0,0,0|1,0,0]=3 3193 B12R1.28 OCCNCc1cccc(F)c1 Amb2592101 [1,1,0,0,0,0|1,0,0]=3 3194 B12R1.28 OCCNCc1cccc(O)c1 Amb7757039 [1,1,0,0,0,0|1,0,0]=3 3195 B12R1.28 OCCNCc1ccnc(Br)c1 Amb21861822 [1,1,0,0,0,0|2,0,0]=4 3196 B12R1.28 OCCNCc1cncc(Br)c1 Amb31217550 [1,1,0,0,0,0|2,0,0]=4 3197 B12R1.28 OCCNCc1cncc(Br)c1 Amb33042705 [1,1,0,0,0,0|2,0,0]=4 3198 B12R1.28 OCCOCc1cccc(F)c1 Amb32664542 [1,1,0,0,0,0|1,0,0]=3 3199 B12R1.28 OCCSCc1cccc(F)c1 Amb3568983 [1,1,0,0,0,0|1,0,0]=3 3200 B12R1.28 OCC\N=C\c1cccc(F)c1 Amb27752368 [1,1,0,0,0,0|1,0,1]=4 3201 B12R1.28 ONCCCc1cccc(Br)c1 Amb33263671 [1,1,0,0,0,0|1,0,0]=3 3202 B12R1.28 ONCCOc1cccc(Br)c1 Amb17088424 [1,1,0,0,0,0|2,0,0]=4 3203 B12R1.28 ONCCOc1cccc(Cl)c1 Amb17088421 [1,1,0,0,0,0|2,0,0]=4 3204 B12R1.28 ONCCOc1cccc(F)c1 Amb17088418 [1,1,0,0,0,0|2,0,0]=4 3205 B12R1.28 SCCCCc1cccc(Br)c1 Amb18072286 [1,1,0,0,0,0|0,1,0]=3 3206 B12R1.28 SCCCCc1cccc(Cl)c1 Amb18565790 [1,1,0,0,0,0|0,1,0]=3 3207 B12R1.28 SCCCOc1cccc(Br)c1 Amb17258958 [1,1,0,0,0,0|1,1,0]=4 3208 B12R1.28 SCCCOc1cccc(Cl)c1 Amb17237589 [1,1,0,0,0,0|1,1,0]=4 3209 B12R1.28 [C-]#[N+]CCCc1cccc(Br)c1 Amb33435391 [1,1,0,0,0,0|1,0,1]=4 3210 B12R1.30 C#CCCC(C)c1ccccc1 Amb33081910 [1,1,0,0,0,0|0,0,2]=4 3211 B12R1.30 C#CCCC(N)c1ccccc1 Amb25959477 [1,1,0,0,0,0|0,0,2]=4 3212 B12R1.30 C#CCCC(O)c1ccccc1 Amb18800360 [1,1,0,0,0,0|0,0,2]=4 3213 B12R1.30 C=CCCC(C)c1ccccc1 Amb24062989 [1,1,0,0,0,0|0,0,2]=4 3214 B12R1.30 C=CCCC(N)c1ccccc1 Amb18126305 [1,1,0,0,0,0|0,0,2]=4 3215 B12R1.30 C=CCCC(O)c1ccccc1 Amb18800658 [1,1,0,0,0,0|0,0,2]=4 3216 B12R1.30 CC(CCC#N)c1ccccc1 Amb18645228 [1,1,0,0,0,0|1,0,1]=4 3217 B12R1.30 CC(CCC=O)c1ccccc1 Amb18645711 [1,1,0,0,0,0|0,0,2]=4 3218 B12R1.30 CC(CCCBr)c1ccccc1 Amb33082370 [1,1,0,0,0,0|1,0,0]=3 3219 B12R1.30 CC(CCCN)c1ccccc1 Amb18563593 [1,1,0,0,0,0|1,0,0]=3 3220 B12R1.30 CC(CCCO)c1ccccc1 Amb33213887 [1,1,0,0,0,0|0,0,0]=2 3221 B12R1.30 CC(CCCS)c1ccccc1 Amb33082130 [1,1,0,0,0,0|0,1,0]=3 3222 B12R1.30 CC(CCON)c1ccccc1 Amb33081860 [1,1,0,0,0,0|2,0,0]=4 3223 B12R1.30 CC(NCCCl)c1ccccc1 Amb17335659 [1,1,0,0,0,0|2,0,0]=4 3224 B12R1.30 CC(NCCN)c1ccccc1 Amb17091024 [1,1,0,0,0,0|2,0,0]=4 3225 B12R1.30 CC(NCCO)c1ccccc1 Amb2092663 [1,1,0,0,0,0|1,0,0]=3 3226 B12R1.30 CC(NCCO)c1ccccn1 Amb7809203 [1,1,0,0,0,0|2,0,0]=4 3227 B12R1.30 CC(NCCO)c1cccnc1 Amb7809201 [1,1,0,0,0,0|2,0,0]=4 3228 B12R1.30 CC(NCCO)c1ccncc1 Amb7809202 [1,1,0,0,0,0|2,0,0]=4 3229 B12R1.30 CC(OCCN)c1ccccc1 Amb6248427 [1,1,0,0,0,0|2,0,0]=4 3230 B12R1.30 CC(OCCO)c1ccccc1 Amb24103429 [1,1,0,0,0,0|1,0,0]=3 3231 B12R1.30 CC(SCCN)c1ccccc1 Amb17500453 [1,1,0,0,0,0|2,0,0]=4 3232 B12R1.30 CC(\C=C\CO)c1ccccc1 Amb33042867 [1,1,0,0,0,0|0,0,2]=4 3233 B12R1.30 CCCCC(=O)c1ccccc1 Amb4605998 [1,1,0,0,0,0|0,0,1]=3 3234 B12R1.30 CCCCC(=O)c1ccccn1 Amb6301472 [1,1,0,0,0,0|1,0,1]=4 3235 B12R1.30 CCCCC(=O)c1cccnc1 Amb10607964 [1,1,0,0,0,0|1,0,1]=4 3236 B12R1.30 CCCCC(=O)c1ccncc1 Amb10573758 [1,1,0,0,0,0|1,0,1]=4 3237 B12R1.30 CCCCC(N)c1ccccc1 Amb9717704 [1,1,0,0,0,0|0,0,0]=2 3238 B12R1.30 CCCCC(N)c1ccccn1 Amb19026090 [1,1,0,0,0,0|1,0,0]=3 3239 B12R1.30 CCCCC(N)c1ccccn1 Amb35745637 [1,1,0,0,0,0|1,0,0]=3 3240 B12R1.30 CCCCC(N)c1cccnc1 Amb10607965 [1,1,0,0,0,0|1,0,0]=3 3241 B12R1.30 CCCCC(N)c1ccncc1 Amb10573553 [1,1,0,0,0,0|1,0,0]=3 3242 B12R1.30 CCCCC(N)c1ncccn1 Amb18312937 [1,1,0,0,0,0|2,0,0]=4 3243 B12R1.30 CCCCC(O)c1ccccc1 Amb4034459 [1,1,0,0,0,0|0,0,0]=2 3244 B12R1.30 CCCCC(S)c1ccccc1 Amb32788793 [1,1,0,0,0,0|0,0,0]=2 3245 B12R1.30 CCCCN(N)c1ccccc1 Amb17226670 [1,1,0,0,0,0|1,0,0]=3 3246 B12R1.30 CCCC[C@@H](N)c1ccccc1 Amb28555742 [1,1,0,0,0,0|0,0,0]=2 3247 B12R1.30 CCCC[C@@H](N)c1ccccc1 Amb33276169 [1,1,0,0,0,0|0,0,0]=2 3248 B12R1.30 CCCC[C@@H](N)c1ncccn1 Amb32716273 [1,1,0,0,0,0|2,0,0]=4 3249 B12R1.30 CCCC[C@@H](O)c1ccccc1 Amb30627576 [1,1,0,0,0,0|0,0,0]=2 3250 B12R1.30 CCCC[C@H](N)c1ccccc1 Amb28555741 [1,1,0,0,0,0|0,0,0]=2 3251 B12R1.30 CCCC[C@H](N)c1ccccc1 Amb33276167 [1,1,0,0,0,0|0,0,0]=2 3252 B12R1.30 CCCC[C@H](N)c1ncccn1 Amb32716269 [1,1,0,0,0,0|2,0,0]=4 3253 B12R1.30 CCCC[C@H](O)c1ccccc1 Amb28555740 [1,1,0,0,0,0|0,0,0]=2 3254 B12R1.30 CCCNC(=N)c1ccccc1 Amb23447119 [1,1,0,0,0,0|1,0,1]=4 3255 B12R1.30 CCCNC(C)c1ccccc1 Amb6335367 [1,1,0,0,0,0|1,0,0]=3 3256 B12R1.30 CCCNC(C)c1ccccc1 Amb9726952 [1,1,0,0,0,0|1,0,0]=3 3257 B12R1.30 CCCNC(C)c1ccccn1 Amb6267689 [1,1,0,0,0,0|2,0,0]=4 3258 B12R1.30 CCCNC(C)c1cccnc1 Amb6278552 [1,1,0,0,0,0|2,0,0]=4 3259 B12R1.30 CCCNC(C)c1ccncc1 Amb6279575 [1,1,0,0,0,0|2,0,0]=4 3260 B12R1.30 CCCOC(=O)c1ccccc1 Amb6357116 [1,1,0,0,0,0|1,0,1]=4 3261 B12R1.30 CCC\C=C(\N)c1ccccc1 Amb27965051 [1,1,0,0,0,0|0,0,2]=4 3262 B12R1.30 CCC\N=C(/C)c1ccccc1 Amb17779516 [1,1,0,0,0,0|1,0,1]=4 3263 B12R1.30 CCNCC(C)c1ccccc1 Amb6729198 [1,1,0,0,0,0|1,0,0]=3 3264 B12R1.30 CCNCC(N)c1ccccc1 Amb19009737 [1,1,0,0,0,0|1,0,0]=3 3265 B12R1.30 CCNCC(O)c1ccccc1 Amb9247502 [1,1,0,0,0,0|1,0,0]=3 3266 B12R1.30 CCNCC(O)c1ccccn1 Amb17138608 [1,1,0,0,0,0|2,0,0]=4 3267 B12R1.30 CCNCC(O)c1cccnc1 Amb17138609 [1,1,0,0,0,0|2,0,0]=4 3268 B12R1.30 CCNCC(O)c1ccncc1 Amb17138610 [1,1,0,0,0,0|2,0,0]=4 3269 B12R1.30 CCOCC(=O)c1ccccc1 Amb9666077 [1,1,0,0,0,0|1,0,1]=4 3270 B12R1.30 CCOCC(N)c1ccccc1 Amb1125200 [1,1,0,0,0,0|1,0,0]=3 3271 B12R1.30 CCOC[C@@H](N)c1ccccc1 Amb17061646 [1,1,0,0,0,0|1,0,0]=3 3272 B12R1.30 CCOC[C@H](N)c1ccccc1 Amb35747248 [1,1,0,0,0,0|1,0,0]=3 3273 B12R1.30 CCOC[C@H](N)c1ccccc1 Amb35747836 [1,1,0,0,0,0|1,0,0]=3 3274 B12R1.30 CCSCC(=O)c1ccccc1 Amb2778943 [1,1,0,0,0,0|1,0,1]=4 3275 B12R1.30 CC\C=C\C(N)c1ccccc1 Amb27790820 [1,1,0,0,0,0|0,0,2]=4 3276 B12R1.30 CC\C=C\C(O)c1ccccc1 Amb22546781 [1,1,0,0,0,0|0,0,2]=4 3277 B12R1.30 CC\C=C\[C@@H](O)c1ccccc1 Amb27598606 [1,1,0,0,0,0|0,0,2]=4 3278 B12R1.30 CC\C=N\[C@H](C)c1ccccc1 Amb27852444 [1,1,0,0,0,0|1,0,1]=4 3279 B12R1.30 CN(CCCBr)c1ccccc1 Amb32664174 [1,1,0,0,0,0|2,0,0]=4 3280 B12R1.30 CN(CCCBr)c1ccccc1 Amb32664423 [1,1,0,0,0,0|2,0,0]=4 3281 B12R1.30 CN(CCCCl)c1ccccc1 Amb17335669 [1,1,0,0,0,0|2,0,0]=4 3282 B12R1.30 CN(CCCN)c1ccccc1 Amb2786601 [1,1,0,0,0,0|2,0,0]=4 3283 B12R1.30 CN(CCCO)c1ccccc1 Amb9246590 [1,1,0,0,0,0|1,0,0]=3 3284 B12R1.30 CNCCC(=O)c1ccccc1 Amb11032366 [1,1,0,0,0,0|1,0,1]=4 3285 B12R1.30 CNCCC(=O)c1ccccc1 Amb8390832 [1,1,0,0,0,0|1,0,1]=4 3286 B12R1.30 CNCCC(C)c1ccccc1 Amb5739286 [1,1,0,0,0,0|1,0,0]=3 3287 B12R1.30 CNCCC(Cl)c1ccccc1 Amb8629327 [1,1,0,0,0,0|1,0,0]=3 3288 B12R1.30 CNCCC(O)c1ccccc1 Amb3939363 [1,1,0,0,0,0|1,0,0]=3 3289 B12R1.30 CNCCN(C)c1ccccc1 Amb6715077 [1,1,0,0,0,0|2,0,0]=4 3290 B12R1.30 COCCC(=O)c1ccccc1 Amb33538573 [1,1,0,0,0,0|1,0,1]=4 3291 B12R1.30 COCCC(Cl)c1ccccc1 Amb32686938 [1,1,0,0,0,0|1,0,0]=3 3292 B12R1.30 COCCC(N)c1ccccc1 Amb34912740 [1,1,0,0,0,0|1,0,0]=3 3293 B12R1.30 COCCC(N)c1cccnc1 Amb19025773 [1,1,0,0,0,0|2,0,0]=4 3294 B12R1.30 COCCC(N)c1cccnc1 Amb29932235 [1,1,0,0,0,0|2,0,0]=4 3295 B12R1.30 COCCC(O)c1ccccc1 Amb18788453 [1,1,0,0,0,0|1,0,0]=3 3296 B12R1.30 COCC[C@@H](N)c1ccccc1 Amb33620965 [1,1,0,0,0,0|1,0,0]=3 3297 B12R1.30 COCC[C@@H](N)c1ccccc1 Amb33738637 [1,1,0,0,0,0|1,0,0]=3 3298 B12R1.30 CSCCC(=O)c1ccccc1 Amb32683163 [1,1,0,0,0,0|1,0,1]=4 3299 B12R1.30 C[C@@H](NCCCl)c1ccccc1 Amb30621967 [1,1,0,0,0,0|2,0,0]=4 3300 B12R1.30 C[C@@H](NCCO)c1ccccc1 Amb2721786 [1,1,0,0,0,0|1,0,0]=3 3301 B12R1.30 C[C@H](NCCO)c1ccccc1 Amb2698698 [1,1,0,0,0,0|1,0,0]=3 3302 B12R1.30 C[NH2+]CCC(O)c1ccccc1 Amb33513043 [1,1,0,0,0,0|1,0,0]=3 3303 B12R1.30 C\C(=C/CCO)c1ccccc1 Amb28421884 [1,1,0,0,0,0|0,0,2]=4 3304 B12R1.30 C\C(=C\CCO)c1ccccc1 Amb27840638 [1,1,0,0,0,0|0,0,2]=4 3305 B12R1.30 C\C=C/CC(N)c1ccccc1 Amb28140782 [1,1,0,0,0,0|0,0,2]=4 3306 B12R1.30 C\C=C\CC(C)c1ccccc1 Amb26891020 [1,1,0,0,0,0|0,0,2]=4 3307 B12R1.30 C\C=C\C[C@H](O)c1ccccc1 Amb28241948 [1,1,0,0,0,0|0,0,2]=4 3308 B12R1.30 C\C=N\C[C@H](O)c1ccccc1 Amb27472643 [1,1,0,0,0,0|1,0,1]=4 3309 B12R1.30 N#CCCC(N)c1ccccc1 Amb26967002 [1,1,0,0,0,0|1,0,1]=4 3310 B12R1.30 N#CCCC(N)c1ccccc1 Amb30584969 [1,1,0,0,0,0|1,0,1]=4 3311 B12R1.30 N#CCCC(O)c1ccccc1 Amb17232364 [1,1,0,0,0,0|1,0,1]=4 3312 B12R1.30 N=C(NCCO)c1ccccc1 Amb26974089 [1,1,0,0,0,0|1,0,1]=4 3313 B12R1.30 NC(CCCO)c1ccccc1 Amb9783958 [1,1,0,0,0,0|0,0,0]=2 3314 B12R1.30 NCCCC(=O)c1ccccc1 Amb18623671 [1,1,0,0,0,0|1,0,1]=4 3315 B12R1.30 NCCCC(N)c1ccccn1 Amb10070102 [1,1,0,0,0,0|2,0,0]=4 3316 B12R1.30 NCCCC(N)c1cccnc1 Amb10070101 [1,1,0,0,0,0|2,0,0]=4 3317 B12R1.30 NCCCC(N)c1ccncc1 Amb10070100 [1,1,0,0,0,0|2,0,0]=4 3318 B12R1.30 NCCCC(O)c1ccccc1 Amb17079154 [1,1,0,0,0,0|1,0,0]=3 3319 B12R1.30 NCCCC(O)c1ccccc1 Amb21984517 [1,1,0,0,0,0|1,0,0]=3 3320 B12R1.30 NCCCC(O)c1ccccn1 Amb18563728 [1,1,0,0,0,0|2,0,0]=4 3321 B12R1.30 NCCCC(O)c1cccnc1 Amb17232606 [1,1,0,0,0,0|2,0,0]=4 3322 B12R1.30 NCCCC(O)c1ccncc1 Amb18563731 [1,1,0,0,0,0|2,0,0]=4 3323 B12R1.30 N[C@@H](CCCO)c1ccccc1 Amb23440411 [1,1,0,0,0,0|0,0,0]=2 3324 B12R1.30 O=C(CCCBr)c1ccccc1 Amb17247624 [1,1,0,0,0,0|1,0,1]=4 3325 B12R1.30 O=C(CCCCl)c1ccccc1 Amb1229841 [1,1,0,0,0,0|1,0,1]=4 3326 B12R1.30 O=C(CCCO)c1ccccc1 Amb17334609 [1,1,0,0,0,0|0,0,1]=3 3327 B12R1.30 O=C(NCCO)c1ccccc1 Amb4318140 [1,1,0,0,0,0|1,0,1]=4 3328 B12R1.30 O=C(OCCO)c1ccccc1 Amb1110468 [1,1,0,0,0,0|1,0,1]=4 3329 B12R1.30 OC(CCCCl)c1ccccc1 Amb17194564 [1,1,0,0,0,0|1,0,0]=3 3330 B12R1.30 OCC#CC(O)c1ccccc1 Amb776273 [1,1,0,0,0,0|0,0,2]=4 3331 B12R1.30 OCCCC(O)c1ccccc1 Amb17334675 [1,1,0,0,0,0|0,0,0]=2 3332 B12R1.30 OCCCC(O)c1cccnc1 Amb17619700 [1,1,0,0,0,0|1,0,0]=3 3333 B12R1.30 OC\C=C/C(O)c1ccccc1 Amb30621777 [1,1,0,0,0,0|0,0,2]=4 3334 B12R1.30 OC\C=C\C(O)c1ccccc1 Amb25071691 [1,1,0,0,0,0|0,0,2]=4 3335 B12R1.30 OC\C=C\[C@H](O)c1ccccc1 Amb28244279 [1,1,0,0,0,0|0,0,2]=4 3336 B12R1.30 [C-]#[N+]CCC(C)c1ccccc1 Amb33081599 [1,1,0,0,0,0|1,0,1]=4 3337 B12R1.32 C#CCC(N)Cc1ccccc1 Amb18296094 [1,1,0,0,0,0|0,0,2]=4 3338 B12R1.32 C#CCC(N)Cc1ccccc1 Amb32652619 [1,1,0,0,0,0|0,0,2]=4 3339 B12R1.32 C#CCC(O)Cc1ccccc1 Amb18800362 [1,1,0,0,0,0|0,0,2]=4 3340 B12R1.32 C=C(CCN)Cc1ccccc1 Amb32953132 [1,1,0,0,0,0|1,0,1]=4 3341 B12R1.32 C=CCC(N)Cc1ccccc1 Amb32663713 [1,1,0,0,0,0|0,0,2]=4 3342 B12R1.32 C=CCC(N)Cc1ccccc1 Amb33538411 [1,1,0,0,0,0|0,0,2]=4 3343 B12R1.32 C=CCC(O)Cc1ccccc1 Amb18177786 [1,1,0,0,0,0|0,0,2]=4 3344 B12R1.32 CC#CC(Cl)Cc1ccccc1 Amb27232835 [1,1,0,0,0,0|0,0,2]=4 3345 B12R1.32 CC#CC(O)Cc1ccccc1 Amb4034860 [1,1,0,0,0,0|0,0,2]=4 3346 B12R1.32 CC(CCN)Cc1ccccc1 Amb17232439 [1,1,0,0,0,0|1,0,0]=3 3347 B12R1.32 CC(CCN)Oc1ccccc1 Amb17232556 [1,1,0,0,0,0|2,0,0]=4 3348 B12R1.32 CC(CCO)Cc1ccccc1 Amb17232486 [1,1,0,0,0,0|0,0,0]=2 3349 B12R1.32 CC(CCO)Nc1ccccn1 Amb27433290 [1,1,0,0,0,0|2,0,0]=4 3350 B12R1.32 CC(CCO)Oc1ccccc1 Amb17232598 [1,1,0,0,0,0|1,0,0]=3 3351 B12R1.32 CC(CON)Cc1ccccc1 Amb32953166 [1,1,0,0,0,0|2,0,0]=4 3352 B12R1.32 CCCC(=O)Cc1ccccc1 Amb3940679 [1,1,0,0,0,0|0,0,1]=3 3353 B12R1.32 CCCC(=O)Nc1ccccc1 Amb5794989 [1,1,0,0,0,0|1,0,1]=4 3354 B12R1.32 CCCC(=O)Oc1ccccc1 Amb3103918 [1,1,0,0,0,0|1,0,1]=4 3355 B12R1.32 CCCC(C)Nc1ccccc1 Amb6685188 [1,1,0,0,0,0|1,0,0]=3 3356 B12R1.32 CCCC(N)Cc1ccccc1 Amb18180073 [1,1,0,0,0,0|0,0,0]=2 3357 B12R1.32 CCC\C(I)=C/c1ccccc1 Amb22546627 [1,1,0,0,0,0|0,0,2]=4 3358 B12R1.32 CCNC(C)Cc1ccccc1 Amb18552940 [1,1,0,0,0,0|1,0,0]=3 3359 B12R1.32 CCNC(C)Cc1ccccn1 Amb1995151 [1,1,0,0,0,0|2,0,0]=4 3360 B12R1.32 CCOC(=N)Cc1ccccc1 Amb20673132 [1,1,0,0,0,0|1,0,1]=4 3361 B12R1.32 CCOC(=N)Cc1ccccc1 Amb2612454 [1,1,0,0,0,0|1,0,1]=4 3362 B12R1.32 CCOC(=O)Cc1ccccc1 Amb3940130 [1,1,0,0,0,0|1,0,1]=4 3363 B12R1.32 CC\N=C(\N)Cc1ccccc1 Amb23569052 [1,1,0,0,0,0|1,0,1]=4 3364 B12R1.32 CN(CCBr)Cc1ccccc1 Amb24357900 [1,1,0,0,0,0|2,0,0]=4 3365 B12R1.32 CN(CCBr)Cc1ccccc1 Amb32882453 [1,1,0,0,0,0|2,0,0]=4 3366 B12R1.32 CN(CCCl)Cc1ccccc1 Amb19895292 [1,1,0,0,0,0|2,0,0]=4 3367 B12R1.32 CN(CCCl)Cc1ccccc1 Amb3940690 [1,1,0,0,0,0|2,0,0]=4 3368 B12R1.32 CN(CCN)Cc1ccccc1 Amb5357836 [1,1,0,0,0,0|2,0,0]=4 3369 B12R1.32 CN(CCO)Cc1ccccc1 Amb3938987 [1,1,0,0,0,0|1,0,0]=3 3370 B12R1.32 CN(CCO)Cc1ccccn1 Amb9428674 [1,1,0,0,0,0|2,0,0]=4 3371 B12R1.32 CN(CCO)Cc1cccnc1 Amb9426484 [1,1,0,0,0,0|2,0,0]=4 3372 B12R1.32 CN(CCO)Cc1ccncc1 Amb9256486 [1,1,0,0,0,0|2,0,0]=4 3373 B12R1.32 CN(CCS)Cc1ccccc1 Amb13881720 [1,1,0,0,0,0|1,1,0]=4 3374 B12R1.32 CNCC(=O)Cc1ccccc1 Amb32954289 [1,1,0,0,0,0|1,0,1]=4 3375 B12R1.32 CNCC(=O)Cc1ccccc1 Amb8628392 [1,1,0,0,0,0|1,0,1]=4 3376 B12R1.32 CNCC(C)Cc1ccccc1 Amb19023878 [1,1,0,0,0,0|1,0,0]=3 3377 B12R1.32 CNCC(C)Nc1ccccc1 Amb27955315 [1,1,0,0,0,0|2,0,0]=4 3378 B12R1.32 CNCC(N)Cc1ccccc1 Amb19009730 [1,1,0,0,0,0|1,0,0]=3 3379 B12R1.32 CNCC(O)Cc1ccccc1 Amb17193901 [1,1,0,0,0,0|1,0,0]=3 3380 B12R1.32 CNCC(O)Cc1ccccc1 Amb32661172 [1,1,0,0,0,0|1,0,0]=3 3381 B12R1.32 CNCC(O)Cc1cccnc1 Amb17232605 [1,1,0,0,0,0|2,0,0]=4 3382 B12R1.32 COCC(=O)Cc1ccccc1 Amb9665963 [1,1,0,0,0,0|1,0,1]=4 3383 B12R1.32 COCC(C)Nc1ccccc1 Amb19024307 [1,1,0,0,0,0|2,0,0]=4 3384 B12R1.32 COCC(N)Cc1ccccc1 Amb20623561 [1,1,0,0,0,0|1,0,0]=3 3385 B12R1.32 COC[C@@H](N)Cc1ccccc1 Amb3940159 [1,1,0,0,0,0|1,0,0]=3 3386 B12R1.32 COC[C@@H](N)Cc1ccccc1 Amb4037107 [1,1,0,0,0,0|1,0,0]=3 3387 B12R1.32 COC[C@H](N)Cc1ccccc1 Amb33871543 [1,1,0,0,0,0|1,0,0]=3 3388 B12R1.32 CONC(C)Cc1ccccc1 Amb28984063 [1,1,0,0,0,0|2,0,0]=4 3389 B12R1.32 CSCC(=O)Cc1ccccc1 Amb18796330 [1,1,0,0,0,0|1,0,1]=4 3390 B12R1.32 C\C(=C/c1ccccc1)CCO Amb27792195 [1,1,0,0,0,0|0,0,2]=4 3391 B12R1.32 C\C(=C\CO)Cc1ccccc1 Amb27852825 [1,1,0,0,0,0|0,0,2]=4 3392 B12R1.32 C\C=C\C(O)Cc1ccccc1 Amb27641998 [1,1,0,0,0,0|0,0,2]=4 3393 B12R1.32 N#CCC(O)Cc1ccccc1 Amb17232368 [1,1,0,0,0,0|1,0,1]=4 3394 B12R1.32 N#CC[C@@H](N)Cc1ccccc1 Amb27251534 [1,1,0,0,0,0|1,0,1]=4 3395 B12R1.32 NC(CCO)Cc1ccccc1 Amb28872403 [1,1,0,0,0,0|0,0,0]=2 3396 B12R1.32 NC(CCO)Cc1ccccc1 Amb8392175 [1,1,0,0,0,0|0,0,0]=2 3397 B12R1.32 NC(CCO)Cc1ncccn1 Amb32946604 [1,1,0,0,0,0|2,0,0]=4 3398 B12R1.32 NCCC(=O)Cc1ccccc1 Amb32954715 [1,1,0,0,0,0|1,0,1]=4 3399 B12R1.32 NCCC(F)Cc1ccccc1 Amb32954290 [1,1,0,0,0,0|1,0,0]=3 3400 B12R1.32 NCCC(N)Cc1ccccc1 Amb33039576 [1,1,0,0,0,0|1,0,0]=3 3401 B12R1.32 NCCC(O)Cc1ccccc1 Amb17232552 [1,1,0,0,0,0|1,0,0]=3 3402 B12R1.32 NCCC(O)Cc1ccccn1 Amb18827677 [1,1,0,0,0,0|2,0,0]=4 3403 B12R1.32 NCCC(O)Cc1cccnc1 Amb18827678 [1,1,0,0,0,0|2,0,0]=4 3404 B12R1.32 NCCS(=O)Cc1ccccc1 Amb18306046 [1,1,0,0,0,0|2,0,0]=4 3405 B12R1.32 NCC[C@@H](O)Cc1ccccc1 Amb32953160 [1,1,0,0,0,0|1,0,0]=3 3406 B12R1.32 NCC[C@H](O)Cc1ccccc1 Amb32953161 [1,1,0,0,0,0|1,0,0]=3 3407 B12R1.32 O=C(CCO)Nc1ccccc1 Amb9421562 [1,1,0,0,0,0|1,0,1]=4 3408 B12R1.32 O=C(Cc1ccccc1)NCO Amb2720941 [1,1,0,0,0,0|1,0,1]=4 3409 B12R1.32 OCNC(=S)Cc1ccccc1 Amb27438465 [1,1,0,0,0,0|1,0,1]=4 3410 B12R1.32 OC\C=C(\Cl)Cc1ccccc1 Amb27841976 [1,1,0,0,0,0|0,0,2]=4 3411 B12R1.252 C=C(C)CNCc1ccccc1 Amb10608684 [1,1,0,0,0,0|1,0,1]=4 3412 B12R1.252 C=C(C)CNCc1ccccc1 Amb17622487 [1,1,0,0,0,0|1,0,1]=4 3413 B12R1.252 C=C(C)COCc1ccccc1 Amb28062621 [1,1,0,0,0,0|1,0,1]=4 3414 B12R1.252 CC(=O)CCCc1ccccc1 Amb4358586 [1,1,0,0,0,0|0,0,1]=3 3415 B12R1.252 CC(=O)CCCc1ccccn1 Amb1102603 [1,1,0,0,0,0|1,0,1]=4 3416 B12R1.252 CC(=O)CCCc1cccnc1 Amb17232426 [1,1,0,0,0,0|1,0,1]=4 3417 B12R1.252 CC(=O)CCNc1ccccc1 Amb26422328 [1,1,0,0,0,0|1,0,1]=4 3418 B12R1.252 CC(=O)CCOc1ccccc1 Amb7777351 [1,1,0,0,0,0|1,0,1]=4 3419 B12R1.252 CC(=O)CCSc1ccccc1 Amb4020770 [1,1,0,0,0,0|1,0,1]=4 3420 B12R1.252 CC(=O)COCc1ccccc1 Amb3433615 [1,1,0,0,0,0|1,0,1]=4 3421 B12R1.252 CC(=O)CSCc1ccccc1 Amb4018341 [1,1,0,0,0,0|1,0,1]=4 3422 B12R1.252 CC(=O)NCCc1ccccc1 Amb2781514 [1,1,0,0,0,0|1,0,1]=4 3423 B12R1.252 CC(=O)OCCc1ccccc1 Amb6357159 [1,1,0,0,0,0|1,0,1]=4 3424 B12R1.252 CC(=S)NCCc1ccccc1 Amb27412033 [1,1,0,0,0,0|1,0,1]=4 3425 B12R1.252 CC(Br)CCCc1ccccc1 Amb32951525 [1,1,0,0,0,0|0,0,0]=2 3426 B12R1.252 CC(Br)CCSc1ccccc1 Amb20623511 [1,1,0,0,0,0|1,0,0]=3 3427 B12R1.252 CC(Br)COCc1ccccc1 Amb27481240 [1,1,0,0,0,0|1,0,0]=3 3428 B12R1.252 CC(Br)C\C=C\c1ccccc1 Amb33080969 [1,1,0,0,0,0|0,0,2]=4 3429 B12R1.252 CC(C)=CCCc1ccccc1 Amb17843373 [1,1,0,0,0,0|0,0,2]=4 3430 B12R1.252 CC(C)CC#Cc1ccccc1 Amb27494575 [1,1,0,0,0,0|0,0,2]=4 3431 B12R1.252 CC(C)CCCc1ccncc1 Amb2613010 [1,1,0,0,0,0|1,0,0]=3 3432 B12R1.252 CC(C)CCNc1ccccc1 Amb4016589 [1,1,0,0,0,0|1,0,0]=3 3433 B12R1.252 CC(C)CCOc1ccccc1 Amb23450363 [1,1,0,0,0,0|1,0,0]=3 3434 B12R1.252 CC(C)CNCc1ccccc1 Amb22586944 [1,1,0,0,0,0|1,0,0]=3 3435 B12R1.252 CC(C)CNCc1ccccc1 Amb6687359 [1,1,0,0,0,0|1,0,0]=3 3436 B12R1.252 CC(C)CNCc1ccccn1 Amb19890497 [1,1,0,0,0,0|2,0,0]=4 3437 B12R1.252 CC(C)CNCc1ccccn1 Amb33527556 [1,1,0,0,0,0|2,0,0]=4 3438 B12R1.252 CC(C)CNCc1ccccn1 Amb6868321 [1,1,0,0,0,0|2,0,0]=4 3439 B12R1.252 CC(C)CNCc1cccnc1 Amb17622318 [1,1,0,0,0,0|2,0,0]=4 3440 B12R1.252 CC(C)CNCc1cccnc1 Amb19890483 [1,1,0,0,0,0|2,0,0]=4 3441 B12R1.252 CC(C)CNCc1cccnc1 Amb838063 [1,1,0,0,0,0|2,0,0]=4 3442 B12R1.252 CC(C)CNCc1ccncc1 Amb19890504 [1,1,0,0,0,0|2,0,0]=4 3443 B12R1.252 CC(C)CNCc1ccncc1 Amb6864737 [1,1,0,0,0,0|2,0,0]=4 3444 B12R1.252 CC(C)CNCc1ccncc1 Amb837894 [1,1,0,0,0,0|2,0,0]=4 3445 B12R1.252 CC(C)NCCc1ccccc1 Amb2111109 [1,1,0,0,0,0|1,0,0]=3 3446 B12R1.252 CC(C)NCCc1ccccc1 Amb6246148 [1,1,0,0,0,0|1,0,0]=3 3447 B12R1.252 CC(C)NCCc1ccccn1 Amb6694449 [1,1,0,0,0,0|2,0,0]=4 3448 B12R1.252 CC(C)NCCc1cccnc1 Amb17400162 [1,1,0,0,0,0|2,0,0]=4 3449 B12R1.252 CC(C)NCCc1ccncc1 Amb24117837 [1,1,0,0,0,0|2,0,0]=4 3450 B12R1.252 CC(C)NCCc1ccncc1 Amb2592522 [1,1,0,0,0,0|2,0,0]=4 3451 B12R1.252 CC(C)OCCc1ccccn1 Amb10573511 [1,1,0,0,0,0|2,0,0]=4 3452 B12R1.252 CC(Cl)CCNc1ccncc1 Amb27625006 [1,1,0,0,0,0|2,0,0]=4 3453 B12R1.252 CC(Cl)CNCc1ccccc1 Amb27656927 [1,1,0,0,0,0|1,0,0]=3 3454 B12R1.252 CC(Cl)\C=N\Cc1ccccc1 Amb27178153 [1,1,0,0,0,0|1,0,1]=4 3455 B12R1.252 CC(F)CCCc1ccccc1 Amb22229780 [1,1,0,0,0,0|0,0,0]=2 3456 B12R1.252 CC(N)CC#Cc1ccccc1 Amb25081198 [1,1,0,0,0,0|0,0,2]=4 3457 B12R1.252 CC(N)CCCc1ccccc1 Amb2721865 [1,1,0,0,0,0|0,0,0]=2 3458 B12R1.252 CC(N)CCCc1cccnc1 Amb17232504 [1,1,0,0,0,0|1,0,0]=3 3459 B12R1.252 CC(N)CCNc1ccccc1 Amb19009675 [1,1,0,0,0,0|1,0,0]=3 3460 B12R1.252 CC(N)CCNc1ccccn1 Amb27599643 [1,1,0,0,0,0|2,0,0]=4 3461 B12R1.252 CC(N)CCOc1ccccc1 Amb7772215 [1,1,0,0,0,0|1,0,0]=3 3462 B12R1.252 CC(N)CCSc1ccccc1 Amb13881552 [1,1,0,0,0,0|1,0,0]=3 3463 B12R1.252 CC(N)COCc1ccccc1 Amb1124568 [1,1,0,0,0,0|1,0,0]=3 3464 B12R1.252 CC(N)CSCc1ccccc1 Amb18648554 [1,1,0,0,0,0|1,0,0]=3 3465 B12R1.252 CC(N)C\C=C\c1ccccc1 Amb25970039 [1,1,0,0,0,0|0,0,2]=4 3466 B12R1.252 CC(N)\C=C\Cc1ccccc1 Amb32953143 [1,1,0,0,0,0|0,0,2]=4 3467 B12R1.252 CC(O)C#CCc1ccccc1 Amb28350208 [1,1,0,0,0,0|0,0,2]=4 3468 B12R1.252 CC(O)CCCc1ccccc1 Amb17138575 [1,1,0,0,0,0|0,0,0]=2 3469 B12R1.252 CC(O)CCCc1cccnc1 Amb22292250 [1,1,0,0,0,0|1,0,0]=3 3470 B12R1.252 CC(O)CCNc1ccncc1 Amb27175757 [1,1,0,0,0,0|2,0,0]=4 3471 B12R1.252 CC(O)CCOc1ccccc1 Amb6298179 [1,1,0,0,0,0|1,0,0]=3 3472 B12R1.252 CC(O)CNCc1ccccc1 Amb837676 [1,1,0,0,0,0|1,0,0]=3 3473 B12R1.252 CC(O)CNCc1ccccn1 Amb5262446 [1,1,0,0,0,0|2,0,0]=4 3474 B12R1.252 CC(O)CNCc1cccnc1 Amb837686 [1,1,0,0,0,0|2,0,0]=4 3475 B12R1.252 CC(O)CNCc1ccncc1 Amb837763 [1,1,0,0,0,0|2,0,0]=4 3476 B12R1.252 CC(O)COCc1ccccc1 Amb4020574 [1,1,0,0,0,0|1,0,0]=3 3477 B12R1.252 CC(O)C\C=C\c1ccccc1 Amb32954303 [1,1,0,0,0,0|0,0,2]=4 3478 B12R1.252 CC(O)C\C=N\c1ccccc1 Amb27948769 [1,1,0,0,0,0|1,0,1]=4 3479 B12R1.252 CC(S)COCc1ccccc1 Amb32788346 [1,1,0,0,0,0|1,0,0]=3 3480 B12R1.252 CN(C)CCCc1ccccc1 Amb1085936 [1,1,0,0,0,0|1,0,0]=3 3481 B12R1.252 CN(C)CCNc1ccccc1 Amb6477740 [1,1,0,0,0,0|2,0,0]=4 3482 B12R1.252 CN(C)CCOc1ccccc1 Amb2876295 [1,1,0,0,0,0|2,0,0]=4 3483 B12R1.252 CN(N)CCOc1ccccc1 Amb18563757 [1,1,0,0,0,0|2,0,0]=4 3484 B12R1.252 CN(O)CCCc1ccccc1 Amb32951844 [1,1,0,0,0,0|1,0,0]=3 3485 B12R1.252 C[C@@H](N)CCCc1ccccc1 Amb33081452 [1,1,0,0,0,0|0,0,0]=2 3486 B12R1.252 C[C@@H](N)CCCc1cccnc1 Amb22388607 [1,1,0,0,0,0|1,0,0]=3 3487 B12R1.252 C[C@@H](N)CCOc1ccccc1 Amb33081226 [1,1,0,0,0,0|1,0,0]=3 3488 B12R1.252 C[C@@H](N)COCc1ccccc1 Amb18529657 [1,1,0,0,0,0|1,0,0]=3 3489 B12R1.252 C[C@@H](N)C\C=C\c1ccccc1 Amb33080763 [1,1,0,0,0,0|0,0,2]=4 3490 B12R1.252 C[C@@H](O)CCCc1ccccc1 Amb33082320 [1,1,0,0,0,0|0,0,0]=2 3491 B12R1.252 C[C@@H](O)CCOc1ccccc1 Amb32951805 [1,1,0,0,0,0|1,0,0]=3 3492 B12R1.252 C[C@@H](O)COCc1ccccc1 Amb22169747 [1,1,0,0,0,0|1,0,0]=3 3493 B12R1.252 C[C@@H](O)C\C=C\c1ccccc1 Amb32954522 [1,1,0,0,0,0|0,0,2]=4 3494 B12R1.252 C[C@H](N)CCCc1ccccc1 Amb32954284 [1,1,0,0,0,0|0,0,0]=2 3495 B12R1.252 C[C@H](N)CCOc1ccccc1 Amb32954086 [1,1,0,0,0,0|1,0,0]=3 3496 B12R1.252 C[C@H](N)COCc1ccccc1 Amb17061656 [1,1,0,0,0,0|1,0,0]=3 3497 B12R1.252 C[C@H](N)C\C=C\c1ccccc1 Amb33080767 [1,1,0,0,0,0|0,0,2]=4 3498 B12R1.252 C[C@H](O)CCCc1ccccc1 Amb32954841 [1,1,0,0,0,0|0,0,0]=2 3499 B12R1.252 C[C@H](O)CCOc1ccccc1 Amb32952875 [1,1,0,0,0,0|1,0,0]=3 3500 B12R1.252 C[C@H](O)CNCc1ccccc1 Amb27862492 [1,1,0,0,0,0|1,0,0]=3 3501 B12R1.252 C[C@H](O)COCc1ccccc1 Amb22044890 [1,1,0,0,0,0|1,0,0]=3 3502 B12R1.252 C[C@H](O)C\C=C\c1ccccc1 Amb32954836 [1,1,0,0,0,0|0,0,2]=4 3503 B12R1.252 FC(Cl)CNCc1ccccc1 Amb27407058 [1,1,0,0,0,0|2,0,0]=4 3504 B12R1.252 FC(F)CNCc1ccccc1 Amb16229911 [1,1,0,0,0,0|2,0,0]=4 3505 B12R1.252 N=C(N)CCCc1ccccc1 Amb6276737 [1,1,0,0,0,0|1,0,1]=4 3506 B12R1.252 NC(=O)CCCc1ccccc1 Amb3886649 [1,1,0,0,0,0|0,0,2]=4 3507 B12R1.252 NC(=S)CCCc1ccccc1 Amb6244938 [1,1,0,0,0,0|0,1,1]=4 3508 B12R1.252 O=C(Cl)CCCc1ccccc1 Amb2792925 [1,1,0,0,0,0|0,0,2]=4 3509 B12R1.252 O=C(O)CCCc1ccccc1 Amb2388283 [1,1,0,0,0,0|0,0,1]=3 3510 B12R1.252 O=C(O)CCCc1ccccn1 Amb1099328 [1,1,0,0,0,0|1,0,1]=4 3511 B12R1.252 O=C(O)CCCc1ccccn1 Amb19356883 [1,1,0,0,0,0|1,0,1]=4 3512 B12R1.252 O=C(O)CCCc1cccnc1 Amb17232526 [1,1,0,0,0,0|1,0,1]=4 3513 B12R1.252 O=C(O)CCCc1cccnc1 Amb33529414 [1,1,0,0,0,0|1,0,1]=4 3514 B12R1.252 O=C(O)CCCc1cccnc1 Amb33541549 [1,1,0,0,0,0|1,0,1]=4 3515 B12R1.252 O=C(O)CCCc1ccncc1 Amb1099336 [1,1,0,0,0,0|1,0,1]=4 3516 B12R1.252 O=C(O)CCCc1ccncc1 Amb19929548 [1,1,0,0,0,0|1,0,1]=4 3517 B12R1.252 O=C(O)CCNc1ccccc1 Amb1207377 [1,1,0,0,0,0|1,0,1]=4 3518 B12R1.252 O=C(O)CCOc1ccccc1 Amb1206804 [1,1,0,0,0,0|1,0,1]=4 3519 B12R1.252 O=C(O)CCSc1ccccc1 Amb1036581 [1,1,0,0,0,0|1,0,1]=4 3520 B12R1.252 O=C(O)CNCc1ccccc1 Amb2720113 [1,1,0,0,0,0|1,0,1]=4 3521 B12R1.252 O=C(O)CNCc1ccccc1 Amb6357824 [1,1,0,0,0,0|1,0,1]=4 3522 B12R1.252 O=C(O)COCc1ccccc1 Amb3939856 [1,1,0,0,0,0|1,0,1]=4 3523 B12R1.252 O=C(O)CSCc1ccccc1 Amb6357378 [1,1,0,0,0,0|1,0,1]=4 3524 B12R1.252 O=C(O)C[NH2+]Cc1ccccc1 Amb24113880 [1,1,0,0,0,0|1,0,1]=4 3525 B12R1.252 O=C(O)C[NH2+]Cc1ccccc1 Amb6366026 [1,1,0,0,0,0|1,0,1]=4 3526 B12R1.252 O=C([O-])CCCc1ccccc1 Amb15690987 [1,1,0,0,0,0|0,0,2]=4 3527 B12R1.252 O=S([O-])CCCc1ccccc1 Amb32755679 [1,1,0,0,0,0|1,0,1]=4 3528 B12R1.252 O=[PH](O)CNCc1ccccc1 Amb28383469 [1,1,0,0,0,0|2,0,0]=4 3529 B12R1.267 BrCCCCc1ccccc1Br Amb34914026 [1,1,0,0,0,0|1,0,0]=3 3530 B12R1.267 BrCCCOc1ccccc1Br Amb8517103 [1,1,0,0,0,0|2,0,0]=4 3531 B12R1.267 Brc1ccccc1CCCCI Amb34914024 [1,1,0,0,0,0|1,0,0]=3 3532 B12R1.267 C=CCCCc1ccccc1Br Amb32654215 [1,1,0,0,0,0|0,0,2]=4 3533 B12R1.267 CCCC#Cc1ccccc1Br Amb25676440 [1,1,0,0,0,0|0,0,2]=4 3534 B12R1.267 CCCC#Cc1ccccc1C Amb27599818 [1,1,0,0,0,0|0,0,2]=4 3535 B12R1.267 CCCC#Cc1ccccc1Cl Amb26347731 [1,1,0,0,0,0|0,0,2]=4 3536 B12R1.267 CCCC#Cc1ccccc1F Amb27952893 [1,1,0,0,0,0|0,0,2]=4 3537 B12R1.267 CCCC#Cc1ccccc1I Amb26861404 [1,1,0,0,0,0|0,0,2]=4 3538 B12R1.267 CCCC#Cc1ccccc1N Amb25238355 [1,1,0,0,0,0|0,0,2]=4 3539 B12R1.267 CCCC#Cc1ccccc1O Amb26883333 [1,1,0,0,0,0|0,0,2]=4 3540 B12R1.267 CCCCCc1ncncc1Br Amb10068165 [1,1,0,0,0,0|2,0,0]=4 3541 B12R1.267 CCCCNc1ccccc1Br Amb6696452 [1,1,0,0,0,0|1,0,0]=3 3542 B12R1.267 CCCCNc1ccccc1C Amb4016420 [1,1,0,0,0,0|1,0,0]=3 3543 B12R1.267 CCCCNc1ccccc1Cl Amb4313689 [1,1,0,0,0,0|1,0,0]=3 3544 B12R1.267 CCCCNc1ccccc1F Amb6697370 [1,1,0,0,0,0|1,0,0]=3 3545 B12R1.267 CCCCNc1ccccc1N Amb7767737 [1,1,0,0,0,0|1,0,0]=3 3546 B12R1.267 CCCCNc1ccccc1O Amb18646353 [1,1,0,0,0,0|1,0,0]=3 3547 B12R1.267 CCCCNc1cccnc1C Amb27616824 [1,1,0,0,0,0|2,0,0]=4 3548 B12R1.267 CCCCNc1cccnc1F Amb35725090 [1,1,0,0,0,0|2,0,0]=4 3549 B12R1.267 CCCCNc1ccncc1F Amb28063758 [1,1,0,0,0,0|2,0,0]=4 3550 B12R1.267 CCCCNc1ccncc1N Amb7767727 [1,1,0,0,0,0|2,0,0]=4 3551 B12R1.267 CCCCNc1ccncc1O Amb28240840 [1,1,0,0,0,0|2,0,0]=4 3552 B12R1.267 CCCCNc1ncccc1F Amb18314049 [1,1,0,0,0,0|2,0,0]=4 3553 B12R1.267 CCCCNc1ncccc1N Amb7767733 [1,1,0,0,0,0|2,0,0]=4 3554 B12R1.267 CCCCOC1=CC=CNC1=O Amb18034630 [1,1,0,0,0,0|2,0,0]=4 3555 B12R1.267 CCCCOc1ccccc1Br Amb6272446 [1,1,0,0,0,0|1,0,0]=3 3556 B12R1.267 CCCCOc1ccccc1N Amb1033054 [1,1,0,0,0,0|1,0,0]=3 3557 B12R1.267 CCCCOc1ccccc1O Amb8837327 [1,1,0,0,0,0|1,0,0]=3 3558 B12R1.267 CCCCOc1cccnc1Cl Amb20242808 [1,1,0,0,0,0|2,0,0]=4 3559 B12R1.267 CCCCOc1cccnc1N Amb9208363 [1,1,0,0,0,0|2,0,0]=4 3560 B12R1.267 CCCCOc1ccncc1N Amb8895012 [1,1,0,0,0,0|2,0,0]=4 3561 B12R1.267 CCCCOc1cnccc1N Amb33035436 [1,1,0,0,0,0|2,0,0]=4 3562 B12R1.267 CCCCOc1ncccc1Cl Amb24308905 [1,1,0,0,0,0|2,0,0]=4 3563 B12R1.267 CCCCOc1ncccc1N Amb8895018 [1,1,0,0,0,0|2,0,0]=4 3564 B12R1.267 CCCNCc1ccccc1Br Amb19892805 [1,1,0,0,0,0|1,0,0]=3 3565 B12R1.267 CCCNCc1ccccc1Br Amb6272793 [1,1,0,0,0,0|1,0,0]=3 3566 B12R1.267 CCCNCc1ccccc1C Amb6276128 [1,1,0,0,0,0|1,0,0]=3 3567 B12R1.267 CCCNCc1ccccc1C Amb6865254 [1,1,0,0,0,0|1,0,0]=3 3568 B12R1.267 CCCNCc1ccccc1Cl Amb6271434 [1,1,0,0,0,0|1,0,0]=3 3569 B12R1.267 CCCNCc1ccccc1Cl Amb6542582 [1,1,0,0,0,0|1,0,0]=3 3570 B12R1.267 CCCNCc1ccccc1F Amb6258177 [1,1,0,0,0,0|1,0,0]=3 3571 B12R1.267 CCCNCc1ccccc1F Amb6865253 [1,1,0,0,0,0|1,0,0]=3 3572 B12R1.267 CCCNCc1ccccc1O Amb20673481 [1,1,0,0,0,0|1,0,0]=3 3573 B12R1.267 CCCNCc1ccccc1O Amb6281040 [1,1,0,0,0,0|1,0,0]=3 3574 B12R1.267 CCCSCc1ccccc1Br Amb22228182 [1,1,0,0,0,0|1,0,0]=3 3575 B12R1.267 CCC\N=C\c1ccccc1O Amb24408352 [1,1,0,0,0,0|1,0,1]=4 3576 B12R1.267 CCNCCc1ccccc1C Amb8841498 [1,1,0,0,0,0|1,0,0]=3 3577 B12R1.267 CCNCCc1ccccc1Cl Amb8853702 [1,1,0,0,0,0|1,0,0]=3 3578 B12R1.267 CCNCCc1ccccc1F Amb6693099 [1,1,0,0,0,0|1,0,0]=3 3579 B12R1.267 CCOCOc1ccccc1Br Amb32729439 [1,1,0,0,0,0|2,0,0]=4 3580 B12R1.267 CNCCCc1ccccc1Br Amb17605546 [1,1,0,0,0,0|1,0,0]=3 3581 B12R1.267 CNCCCc1ccccc1C Amb17104499 [1,1,0,0,0,0|1,0,0]=3 3582 B12R1.267 CNCCCc1ccccc1Cl Amb17104507 [1,1,0,0,0,0|1,0,0]=3 3583 B12R1.267 CNCCCc1ccccc1F Amb17104502 [1,1,0,0,0,0|1,0,0]=3 3584 B12R1.267 CNCCNc1ccccc1C Amb15772130 [1,1,0,0,0,0|2,0,0]=4 3585 B12R1.267 CNCCOc1ccccc1Br Amb7798227 [1,1,0,0,0,0|2,0,0]=4 3586 B12R1.267 CNCCOc1ccccc1Br Amb8597811 [1,1,0,0,0,0|2,0,0]=4 3587 B12R1.267 CNCCOc1ccccc1C Amb1222745 [1,1,0,0,0,0|2,0,0]=4 3588 B12R1.267 CNCCOc1ccccc1C Amb2140560 [1,1,0,0,0,0|2,0,0]=4 3589 B12R1.267 CNCCOc1ccccc1Cl Amb1669286 [1,1,0,0,0,0|2,0,0]=4 3590 B12R1.267 CNCCOc1ccccc1Cl Amb34914122 [1,1,0,0,0,0|2,0,0]=4 3591 B12R1.267 CNCCOc1ccccc1F Amb1669285 [1,1,0,0,0,0|2,0,0]=4 3592 B12R1.267 CNCCOc1ccccc1N Amb17232613 [1,1,0,0,0,0|2,0,0]=4 3593 B12R1.267 COCCNc1ccccc1Br Amb6712141 [1,1,0,0,0,0|2,0,0]=4 3594 B12R1.267 COCCNc1ccccc1C Amb595420 [1,1,0,0,0,0|2,0,0]=4 3595 B12R1.267 COCCNc1ccccc1Cl Amb6712363 [1,1,0,0,0,0|2,0,0]=4 3596 B12R1.267 COCCNc1ccccc1F Amb6712555 [1,1,0,0,0,0|2,0,0]=4 3597 B12R1.267 COCCNc1ccccc1I Amb7785821 [1,1,0,0,0,0|2,0,0]=4 3598 B12R1.267 COCCNc1ccccc1N Amb7767474 [1,1,0,0,0,0|2,0,0]=4 3599 B12R1.267 COCCOc1ccccc1Br Amb6263904 [1,1,0,0,0,0|2,0,0]=4 3600 B12R1.267 COCCOc1ccccc1I Amb32413960 [1,1,0,0,0,0|2,0,0]=4 3601 B12R1.267 COCCOc1ccccc1N Amb22492333 [1,1,0,0,0,0|2,0,0]=4 3602 B12R1.267 COCCOc1ccccc1N Amb840085 [1,1,0,0,0,0|2,0,0]=4 3603 B12R1.267 COCCOc1ccccc1O Amb8837338 [1,1,0,0,0,0|2,0,0]=4 3604 B12R1.267 COCOCc1ccccc1Br Amb21964629 [1,1,0,0,0,0|2,0,0]=4 3605 B12R1.267 COCOCc1ccccc1F Amb28464076 [1,1,0,0,0,0|2,0,0]=4 3606 B12R1.267 CSCCNc1ccccc1Br Amb27875069 [1,1,0,0,0,0|2,0,0]=4 3607 B12R1.267 CSCCNc1ccccc1I Amb28044651 [1,1,0,0,0,0|2,0,0]=4 3608 B12R1.267 CSCCNc1ccccc1N Amb27863236 [1,1,0,0,0,0|2,0,0]=4 3609 B12R1.267 C\C=C\CCc1ccccc1C Amb27267945 [1,1,0,0,0,0|0,0,2]=4 3610 B12R1.267 Cc1ccccc1CCCC#N Amb24502058 [1,1,0,0,0,0|1,0,1]=4 3611 B12R1.267 Cc1ccccc1CCCC=O Amb18645710 [1,1,0,0,0,0|0,0,2]=4 3612 B12R1.267 Cc1ccccc1CCCCBr Amb34914032 [1,1,0,0,0,0|1,0,0]=3 3613 B12R1.267 Cc1ccccc1CCCCN Amb17991254 [1,1,0,0,0,0|1,0,0]=3 3614 B12R1.267 Cc1ccccc1CCCCN Amb5735492 [1,1,0,0,0,0|1,0,0]=3 3615 B12R1.267 Cc1ccccc1CCCCO Amb34913207 [1,1,0,0,0,0|0,0,0]=2 3616 B12R1.267 Cc1ccccc1CCCCS Amb18564154 [1,1,0,0,0,0|0,1,0]=3 3617 B12R1.267 Cc1ccccc1CCCON Amb17089549 [1,1,0,0,0,0|2,0,0]=4 3618 B12R1.267 Cc1ccccc1CNCCN Amb9174055 [1,1,0,0,0,0|2,0,0]=4 3619 B12R1.267 Cc1ccccc1CNCCO Amb6865192 [1,1,0,0,0,0|1,0,0]=3 3620 B12R1.267 Cc1ccccc1CNCCO Amb7757032 [1,1,0,0,0,0|1,0,0]=3 3621 B12R1.267 Cc1ccccc1COCCN Amb17061814 [1,1,0,0,0,0|2,0,0]=4 3622 B12R1.267 Cc1ccccc1CSCCN Amb844773 [1,1,0,0,0,0|2,0,0]=4 3623 B12R1.267 Cc1ccccc1NCCCF Amb27757671 [1,1,0,0,0,0|2,0,0]=4 3624 B12R1.267 Cc1ccccc1NCCCN Amb17057721 [1,1,0,0,0,0|2,0,0]=4 3625 B12R1.267 Cc1ccccc1NCCCO Amb17306598 [1,1,0,0,0,0|1,0,0]=3 3626 B12R1.267 Cc1ccccc1OCCCBr Amb2795769 [1,1,0,0,0,0|2,0,0]=4 3627 B12R1.267 Cc1ccccc1OCCCCl Amb1141955 [1,1,0,0,0,0|2,0,0]=4 3628 B12R1.267 Cc1ccccc1OCCCN Amb1136099 [1,1,0,0,0,0|2,0,0]=4 3629 B12R1.267 Cc1ccccc1OCCCO Amb9370674 [1,1,0,0,0,0|1,0,0]=3 3630 B12R1.267 Cc1ccccc1OCCCS Amb17233940 [1,1,0,0,0,0|1,1,0]=4 3631 B12R1.267 Cc1ccccc1OCCNO Amb17088414 [1,1,0,0,0,0|2,0,0]=4 3632 B12R1.267 Cc1ccccc1\C=C\CCO Amb27978430 [1,1,0,0,0,0|0,0,2]=4 3633 B12R1.267 Cc1cccnc1CCCCN Amb32953263 [1,1,0,0,0,0|2,0,0]=4 3634 B12R1.267 Cc1ccncc1CCCCN Amb18828701 [1,1,0,0,0,0|2,0,0]=4 3635 B12R1.267 Cc1ccncc1CNCCO Amb32663033 [1,1,0,0,0,0|2,0,0]=4 3636 B12R1.267 Cc1cnccc1CCCCN Amb33426428 [1,1,0,0,0,0|2,0,0]=4 3637 B12R1.267 Cc1cnccc1NCCCO Amb27426567 [1,1,0,0,0,0|2,0,0]=4 3638 B12R1.267 Cc1ncccc1CCCCN Amb32881346 [1,1,0,0,0,0|2,0,0]=4 3639 B12R1.267 ClCCCOc1ccccc1Br Amb6260781 [1,1,0,0,0,0|2,0,0]=4 3640 B12R1.267 ClCCCOc1ccccc1Cl Amb1135755 [1,1,0,0,0,0|2,0,0]=4 3641 B12R1.267 ClCCCSc1ccccc1Cl Amb6662701 [1,1,0,0,0,0|2,0,0]=4 3642 B12R1.267 Clc1ccccc1CCCCBr Amb34914033 [1,1,0,0,0,0|1,0,0]=3 3643 B12R1.267 Clc1ccccc1OCCCBr Amb8517138 [1,1,0,0,0,0|2,0,0]=4 3644 B12R1.267 Fc1ccccc1CCCCBr Amb34914037 [1,1,0,0,0,0|1,0,0]=3 3645 B12R1.267 Fc1ccccc1CCCCI Amb34914090 [1,1,0,0,0,0|1,0,0]=3 3646 B12R1.267 Fc1ccccc1CCCCS Amb18066143 [1,1,0,0,0,0|0,1,0]=3 3647 B12R1.267 Fc1ccccc1OCCCBr Amb7089048 [1,1,0,0,0,0|2,0,0]=4 3648 B12R1.267 Fc1ccccc1OCCCCl Amb1131839 [1,1,0,0,0,0|2,0,0]=4 3649 B12R1.267 Fc1ccccc1OCCCS Amb17234296 [1,1,0,0,0,0|1,1,0]=4 3650 B12R1.267 N#CCCCc1ccccc1Br Amb25732390 [1,1,0,0,0,0|1,0,1]=4 3651 B12R1.267 N#CCCCc1ccccc1Cl Amb28057145 [1,1,0,0,0,0|1,0,1]=4 3652 B12R1.267 N#CCCCc1ccccc1F Amb27394350 [1,1,0,0,0,0|1,0,1]=4 3653 B12R1.267 NCCCCN1C=CC=CC1=O Amb18535494 [1,1,0,0,0,0|2,0,0]=4 3654 B12R1.267 NCCCCc1ccccc1Br Amb18069064 [1,1,0,0,0,0|1,0,0]=3 3655 B12R1.267 NCCCCc1ccccc1Cl Amb22904185 [1,1,0,0,0,0|1,0,0]=3 3656 B12R1.267 NCCCCc1ccccc1Cl Amb5735501 [1,1,0,0,0,0|1,0,0]=3 3657 B12R1.267 NCCCCc1ccccc1F Amb18524598 [1,1,0,0,0,0|1,0,0]=3 3658 B12R1.267 NCCCCc1ccccc1F Amb5735495 [1,1,0,0,0,0|1,0,0]=3 3659 B12R1.267 NCCCCc1ccccc1O Amb18828230 [1,1,0,0,0,0|1,0,0]=3 3660 B12R1.267 NCCCCc1cccnc1Br Amb33388117 [1,1,0,0,0,0|2,0,0]=4 3661 B12R1.267 NCCCCc1cccnc1Cl Amb33257389 [1,1,0,0,0,0|2,0,0]=4 3662 B12R1.267 NCCCCc1cccnc1F Amb33377145 [1,1,0,0,0,0|2,0,0]=4 3663 B12R1.267 NCCCCc1ccncc1Br Amb33478368 [1,1,0,0,0,0|2,0,0]=4 3664 B12R1.267 NCCCCc1ccncc1Cl Amb33220578 [1,1,0,0,0,0|2,0,0]=4 3665 B12R1.267 NCCCCc1ccncc1F Amb33316819 [1,1,0,0,0,0|2,0,0]=4 3666 B12R1.267 NCCCCc1ncccc1Br Amb33451068 [1,1,0,0,0,0|2,0,0]=4 3667 B12R1.267 NCCCCc1ncccc1F Amb33418424 [1,1,0,0,0,0|2,0,0]=4 3668 B12R1.267 NCCCNc1ccccc1Br Amb27226464 [1,1,0,0,0,0|2,0,0]=4 3669 B12R1.267 NCCCNc1ccccc1Cl Amb17057727 [1,1,0,0,0,0|2,0,0]=4 3670 B12R1.267 NCCCNc1ccccc1F Amb17057724 [1,1,0,0,0,0|2,0,0]=4 3671 B12R1.267 NCCCNc1ccccc1F Amb32718812 [1,1,0,0,0,0|2,0,0]=4 3672 B12R1.267 NCCCOc1ccccc1Br Amb6267751 [1,1,0,0,0,0|2,0,0]=4 3673 B12R1.267 NCCCOc1ccccc1Cl Amb5731731 [1,1,0,0,0,0|2,0,0]=4 3674 B12R1.267 NCCCOc1ccccc1F Amb1107911 [1,1,0,0,0,0|2,0,0]=4 3675 B12R1.267 NCCCOc1ccccc1F Amb1221365 [1,1,0,0,0,0|2,0,0]=4 3676 B12R1.267 NCCCOc1ccccc1O Amb33226613 [1,1,0,0,0,0|2,0,0]=4 3677 B12R1.267 NCCNCc1ccccc1Br Amb18306264 [1,1,0,0,0,0|2,0,0]=4 3678 B12R1.267 NCCNCc1ccccc1Cl Amb10075510 [1,1,0,0,0,0|2,0,0]=4 3679 B12R1.267 NCCNCc1ccccc1Cl Amb29844472 [1,1,0,0,0,0|2,0,0]=4 3680 B12R1.267 NCCNCc1ccccc1F Amb10075506 [1,1,0,0,0,0|2,0,0]=4 3681 B12R1.267 NCCNCc1ccccc1F Amb29844475 [1,1,0,0,0,0|2,0,0]=4 3682 B12R1.267 NCCNCc1ccccc1O Amb19005483 [1,1,0,0,0,0|2,0,0]=4 3683 B12R1.267 NCCOCc1ccccc1Cl Amb6335301 [1,1,0,0,0,0|2,0,0]=4 3684 B12R1.267 NCCOCc1ccccc1Cl Amb6880857 [1,1,0,0,0,0|2,0,0]=4 3685 B12R1.267 NCCOCc1ccccc1F Amb17061817 [1,1,0,0,0,0|2,0,0]=4 3686 B12R1.267 NCCSCc1ccccc1Cl Amb844775 [1,1,0,0,0,0|2,0,0]=4 3687 B12R1.267 NCCSCc1ccccc1F Amb431326 [1,1,0,0,0,0|2,0,0]=4 3688 B12R1.267 NCCSCc1ccccc1F Amb9677309 [1,1,0,0,0,0|2,0,0]=4 3689 B12R1.267 NOCCCc1ccccc1Cl Amb17089558 [1,1,0,0,0,0|2,0,0]=4 3690 B12R1.267 NOCCCc1ccccc1F Amb17089552 [1,1,0,0,0,0|2,0,0]=4 3691 B12R1.267 Nc1ccccc1C#CCCO Amb27193050 [1,1,0,0,0,0|0,0,2]=4 3692 B12R1.267 Nc1ccccc1C\C=C\CO Amb28290910 [1,1,0,0,0,0|0,0,2]=4 3693 B12R1.267 Nc1ccccc1NCCCF Amb27656342 [1,1,0,0,0,0|2,0,0]=4 3694 B12R1.267 Nc1ccccc1NCCCO Amb8997320 [1,1,0,0,0,0|1,0,0]=3 3695 B12R1.267 Nc1ccccc1OCCCF Amb23539407 [1,1,0,0,0,0|2,0,0]=4 3696 B12R1.267 Nc1ccccc1OCCCO Amb8842578 [1,1,0,0,0,0|1,0,0]=3 3697 B12R1.267 Nc1ccccc1\N=C\CCO Amb25892253 [1,1,0,0,0,0|1,0,1]=4 3698 B12R1.267 Nc1cccnc1NCCCO Amb8997316 [1,1,0,0,0,0|2,0,0]=4 3699 B12R1.267 Nc1cccnc1OCCCO Amb8842581 [1,1,0,0,0,0|2,0,0]=4 3700 B12R1.267 Nc1ccncc1OCCCO Amb33035572 [1,1,0,0,0,0|2,0,0]=4 3701 B12R1.267 Nc1cnccc1NCCCO Amb8858224 [1,1,0,0,0,0|2,0,0]=4 3702 B12R1.267 Nc1cnccc1OCCCO Amb8842572 [1,1,0,0,0,0|2,0,0]=4 3703 B12R1.267 Nc1cnccc1SCCCO Amb8930653 [1,1,0,0,0,0|2,0,0]=4 3704 B12R1.267 Nc1ncccc1NCCCO Amb28070508 [1,1,0,0,0,0|2,0,0]=4 3705 B12R1.267 Nc1ncccc1OCCCO Amb17206812 [1,1,0,0,0,0|2,0,0]=4 3706 B12R1.267 O=CCCCc1ccccc1Br Amb33451106 [1,1,0,0,0,0|0,0,2]=4 3707 B12R1.267 O=CCCCc1ccccc1Cl Amb32750392 [1,1,0,0,0,0|0,0,2]=4 3708 B12R1.267 O=CCCCc1ccccc1F Amb33474216 [1,1,0,0,0,0|0,0,2]=4 3709 B12R1.267 O=CCCCc1ccccc1O Amb18646065 [1,1,0,0,0,0|0,0,2]=4 3710 B12R1.267 OCCC#Cc1ccccc1Cl Amb18796383 [1,1,0,0,0,0|0,0,2]=4 3711 B12R1.267 OCCCCc1ccccc1Br Amb34003425 [1,1,0,0,0,0|0,0,0]=2 3712 B12R1.267 OCCCCc1ccccc1Cl Amb4037443 [1,1,0,0,0,0|0,0,0]=2 3713 B12R1.267 OCCCCc1ccccc1F Amb34913201 [1,1,0,0,0,0|0,0,0]=2 3714 B12R1.267 OCCCNc1cccc[n+]1O Amb17308217 [1,1,0,0,0,0|2,0,0]=4 3715 B12R1.267 OCCCNc1ccccc1Br Amb17306220 [1,1,0,0,0,0|1,0,0]=3 3716 B12R1.267 OCCCNc1ccccc1Cl Amb17306039 [1,1,0,0,0,0|1,0,0]=3 3717 B12R1.267 OCCCNc1ccccc1F Amb17306155 [1,1,0,0,0,0|1,0,0]=3 3718 B12R1.267 OCCCNc1ccccc1I Amb27395286 [1,1,0,0,0,0|1,0,0]=3 3719 B12R1.267 OCCCNc1ccncc1Cl Amb27586446 [1,1,0,0,0,0|2,0,0]=4 3720 B12R1.267 OCCCNc1ccncc1F Amb30020353 [1,1,0,0,0,0|2,0,0]=4 3721 B12R1.267 OCCCNc1ncccc1Br Amb19015766 [1,1,0,0,0,0|2,0,0]=4 3722 B12R1.267 OCCCNc1ncccc1Cl Amb6634671 [1,1,0,0,0,0|2,0,0]=4 3723 B12R1.267 OCCCNc1ncccc1I Amb27437129 [1,1,0,0,0,0|2,0,0]=4 3724 B12R1.267 OCCCOc1ccccc1Br Amb9247656 [1,1,0,0,0,0|1,0,0]=3 3725 B12R1.267 OCCCOc1ccccc1Cl Amb9247633 [1,1,0,0,0,0|1,0,0]=3 3726 B12R1.267 OCCCOc1ccccc1F Amb9370652 [1,1,0,0,0,0|1,0,0]=3 3727 B12R1.267 OCCNCc1ccccc1Br Amb9203175 [1,1,0,0,0,0|1,0,0]=3 3728 B12R1.267 OCCNCc1ccccc1Cl Amb13949019 [1,1,0,0,0,0|1,0,0]=3 3729 B12R1.267 OCCNCc1ccccc1Cl Amb2721952 [1,1,0,0,0,0|1,0,0]=3 3730 B12R1.267 OCCNCc1ccccc1F Amb2592100 [1,1,0,0,0,0|1,0,0]=3 3731 B12R1.267 OCCNCc1ccccc1F Amb6865191 [1,1,0,0,0,0|1,0,0]=3 3732 B12R1.267 OCCNCc1ccccc1I Amb21861540 [1,1,0,0,0,0|1,0,0]=3 3733 B12R1.267 OCCNCc1cccnc1Cl Amb24048984 [1,1,0,0,0,0|2,0,0]=4 3734 B12R1.267 OCCNCc1cccnc1Cl Amb28538933 [1,1,0,0,0,0|2,0,0]=4 3735 B12R1.267 OCCSCc1ccccc1F Amb3568982 [1,1,0,0,0,0|1,0,0]=3 3736 B12R1.267 OCC\N=C/c1ccccc1O Amb28122440 [1,1,0,0,0,0|1,0,1]=4 3737 B12R1.267 ONCCOc1ccccc1Br Amb17088423 [1,1,0,0,0,0|2,0,0]=4 3738 B12R1.267 ONCCOc1ccccc1Cl Amb17088420 [1,1,0,0,0,0|2,0,0]=4 3739 B12R1.267 ONCCOc1ccccc1F Amb17088417 [1,1,0,0,0,0|2,0,0]=4 3740 B12R1.267 SCCCCc1ccccc1Br Amb18576923 [1,1,0,0,0,0|0,1,0]=3 3741 B12R1.267 SCCCCc1ccccc1Cl Amb18066299 [1,1,0,0,0,0|0,1,0]=3 3742 B12R1.267 SCCCNc1ccccc1S Amb27667794 [1,1,0,0,0,0|1,1,0]=4 3743 B12R1.267 SCCCOc1ccccc1Br Amb17258957 [1,1,0,0,0,0|1,1,0]=4 3744 B12R1.267 SCCCOc1ccccc1Cl Amb17237588 [1,1,0,0,0,0|1,1,0]=4 3745 B12R1.7 CCCCCCc1cc(Br)cs1 Amb24079075 [0,1,0,0,1,0|2,0,0]=4 3746 B12R1.7 CCCCCCc1ccc(Br)s1 Amb22235381 [0,1,0,0,1,0|2,0,0]=4 3747 B12R1.7 Cc1ccc(CNCCCO)o1 Amb2592346 [0,1,0,0,1,0|2,0,0]=4 3748 B12R1.7 Cc1ccc(CNCCCO)s1 Amb1926883 [0,1,0,0,1,0|2,0,0]=4 3749 B12R1.7 Cc1ccc(CNCCCO)s1 Amb2114456 [0,1,0,0,1,0|2,0,0]=4 3750 B12R1.7 Nc1ccn(CCCCCO)n1 Amb18806227 [0,1,0,0,1,0|2,0,0]=4 3751 B12R1.7 Nc1cn(CCCCCO)cn1 Amb32699434 [0,1,0,0,1,0|2,0,0]=4 3752 B12R1.7 Nc1cnn(CCCCCO)c1 Amb18806226 [0,1,0,0,1,0|2,0,0]=4 3753 B12R1.7 OCCCNCc1cc(Br)cs1 Amb7757073 [0,1,0,0,1,0|2,0,0]=4 3754 B12R1.7 OCCCNCc1ccc(Br)s1 Amb6733730 [0,1,0,0,1,0|2,0,0]=4 3755 B12R1.7 OCCCSCc1ccc(Cl)o1 Amb32788919 [0,1,0,0,1,0|2,0,0]=4 3756 B12R1.35 CC(NCCCO)c1ccco1 Amb6733643 [0,1,0,0,1,0|2,0,0]=4 3757 B12R1.35 CC(NCCCO)c1cccs1 Amb6733633 [0,1,0,0,1,0|2,0,0]=4 3758 B12R1.35 CC(NCCCO)c1ccsc1 Amb19075400 [0,1,0,0,1,0|2,0,0]=4 3759 B12R1.35 CCCCCC(N)c1ccco1 Amb18798871 [0,1,0,0,1,0|2,0,0]=4 3760 B12R1.35 CCCCCC(N)c1ccco1 Amb35745646 [0,1,0,0,1,0|2,0,0]=4 3761 B12R1.35 CCCCCC(N)c1cccs1 Amb35746820 [0,1,0,0,1,0|2,0,0]=4 3762 B12R1.35 CCCCCC(N)c1cccs1 Amb7786626 [0,1,0,0,1,0|2,0,0]=4 3763 B12R1.35 CCCCCC(N)c1ccsc1 Amb19068543 [0,1,0,0,1,0|2,0,0]=4 3764 B12R1.37 CCCCCCCc1ccco1 Amb10070289 [0,1,0,0,1,0|2,0,0]=4 3765 B12R1.37 CCCCCCCc1cccs1 Amb24089104 [0,1,0,0,1,0|2,0,0]=4 3766 B12R1.37 CCCCCCCc1ccsc1 Amb8515180 [0,1,0,0,1,0|2,0,0]=4 3767 B12R1.37 CCCCCNCc1ccco1 Amb5261471 [0,1,0,0,1,0|2,0,0]=4 3768 B12R1.37 CCCCCNCc1cccs1 Amb837717 [0,1,0,0,1,0|2,0,0]=4 3769 B12R1.37 CCCCCNCc1ccsc1 Amb5262475 [0,1,0,0,1,0|2,0,0]=4 3770 B12R1.37 COCCCNCc1ccco1 Amb875961 [0,1,0,0,1,0|2,0,0]=4 3771 B12R1.37 COCCCNCc1cccs1 Amb875719 [0,1,0,0,1,0|2,0,0]=4 3772 B12R1.37 COCCCNCc1ccsc1 Amb6730184 [0,1,0,0,1,0|2,0,0]=4 3773 B12R1.37 NCCCCCCc1ccsc1 Amb33320899 [0,1,0,0,1,0|2,0,0]=4 3774 B12R1.37 NCCCNCCc1cccs1 Amb18608752 [0,1,0,0,1,0|2,0,0]=4 3775 B12R1.37 NCCCOCCc1ccsc1 Amb32953622 [0,1,0,0,1,0|2,0,0]=4 3776 B12R1.37 O=CCCCCCc1ccsc1 Amb33320896 [0,1,0,0,1,0|1,0,1]=4 3777 B12R1.37 OCCCCC#Cc1cccs1 Amb28065349 [0,1,0,0,1,0|1,0,1]=4 3778 B12R1.37 OCCCCNCc1cccs1 Amb838164 [0,1,0,0,1,0|1,0,0]=3 3779 B12R1.37 OCCCNCCc1nccs1 Amb17315479 [0,1,0,0,1,0|2,0,0]=4 3780 B12R1.37 OCCNCCCn1ccnc1 Amb18793394 [0,1,0,0,1,0|2,0,0]=4 3781 B12R1.51 CC(CCN)CCc1ccsc1 Amb33429702 [0,1,0,0,1,0|2,0,0]=4 3782 B12R1.51 NC(CCO)CCc1ccsc1 Amb33322404 [0,1,0,0,1,0|1,0,0]=3 3783 B12R1.51 NC(CCO)CCn1cccn1 Amb32727029 [0,1,0,0,1,0|2,0,0]=4 3784 B12R1.51 NCCC(F)CCc1ccsc1 Amb33359098 [0,1,0,0,1,0|2,0,0]=4 3785 B12R1.51 NCCC(O)CCc1ccsc1 Amb33475144 [0,1,0,0,1,0|2,0,0]=4 3786 B12R1.51 NCC[C@@H](O)CCc1ccsc1 Amb33321654 [0,1,0,0,1,0|2,0,0]=4 3787 B12R1.51 NCC[C@H](O)CCc1ccsc1 Amb33321653 [0,1,0,0,1,0|2,0,0]=4 3788 B12R1.255 CC(N)CCCCc1ccco1 Amb22035241 [0,1,0,0,1,0|2,0,0]=4 3789 B12R1.255 CC(N)CCCCc1ccsc1 Amb33171682 [0,1,0,0,1,0|2,0,0]=4 3790 B12R1.255 CC(O)CCCCc1ccsc1 Amb33449445 [0,1,0,0,1,0|1,0,0]=3 3791 B12R1.255 CC(O)CCCCn1cccn1 Amb18788846 [0,1,0,0,1,0|2,0,0]=4 3792 B12R1.255 CC(O)CCNCc1ccco1 Amb33496476 [0,1,0,0,1,0|2,0,0]=4 3793 B12R1.255 CC(O)CCNCc1cccs1 Amb33496508 [0,1,0,0,1,0|2,0,0]=4 3794 B12R1.255 CC(O)CCNCc1ccsc1 Amb33496479 [0,1,0,0,1,0|2,0,0]=4 3795 B12R1.255 C[C@@H](N)CCCCc1ccsc1 Amb33321220 [0,1,0,0,1,0|2,0,0]=4 3796 B12R1.255 C[C@@H](O)CCCCc1ccsc1 Amb33223692 [0,1,0,0,1,0|1,0,0]=3 3797 B12R1.255 C[C@@H](O)CCCCn1cccn1 Amb32726926 [0,1,0,0,1,0|2,0,0]=4 3798 B12R1.255 C[C@H](N)CCCCc1ccsc1 Amb33321219 [0,1,0,0,1,0|2,0,0]=4 3799 B12R1.255 C[C@H](O)CCCCc1ccsc1 Amb33321221 [0,1,0,0,1,0|1,0,0]=3 3800 B12R1.255 C[C@H](O)CCCCn1cccn1 Amb32726927 [0,1,0,0,1,0|2,0,0]=4 3801 B12R1.255 O=C(O)CCCCc1ccco1 Amb18646922 [0,1,0,0,1,0|1,0,1]=4 3802 B12R1.255 O=C(O)CCCCc1cccs1 Amb6341870 [0,1,0,0,1,0|1,0,1]=4 3803 B12R1.255 O=C(O)CCCCc1ccsc1 Amb6300536 [0,1,0,0,1,0|1,0,1]=4 3804 B12R1.255 O=C(O)CCCCn1cccc1 Amb22495749 [0,1,0,0,1,0|1,0,1]=4 3805 B12R1.372 CCCCCCc1ccsc1Br Amb19957831 [0,1,0,0,1,0|2,0,0]=4 3806 B12R1.372 Cc1ccoc1CSCCCO Amb32987907 [0,1,0,0,1,0|2,0,0]=4 3807 B12R1.372 Cc1ccsc1CNCCCO Amb838117 [0,1,0,0,1,0|2,0,0]=4 3808 B12R1.372 Cn1cccc1CNCCCO Amb7759867 [0,1,0,0,1,0|2,0,0]=4 3809 B12R1.372 Nc1nccn1CCCCCO Amb32704597 [0,1,0,0,1,0|2,0,0]=4 3810 B12R1.372 OCCCNCc1sccc1Br Amb33044621 [0,1,0,0,1,0|2,0,0]=4 3811 B12R1.477 NC(CO)CCCc1ccsc1 Amb33321987 [0,1,0,0,1,0|1,0,0]=3 3812 B12R1.477 NC(CO)CCCn1cccn1 Amb32727107 [0,1,0,0,1,0|2,0,0]=4 3813 B12R1.477 NCC(O)CCCc1ccsc1 Amb33320906 [0,1,0,0,1,0|2,0,0]=4 3814 B12R1.477 OC[C@H](O)CNCc1ccco1 Amb33041832 [0,1,0,0,1,0|2,0,0]=4 3815 B12R1.477 OC[C@H](O)CNCc1cccs1 Amb33041824 [0,1,0,0,1,0|2,0,0]=4 3816 B12R1.477 OC[C@H](O)CNCc1ccsc1 Amb33041863 [0,1,0,0,1,0|2,0,0]=4 3817 B14R1.9 CCCCCCN1C=CC=C(N)C1=O Amb19080323 [0,2,0,0,0,0|2,0,0]=4 3818 B14R1.9 CCCCCNc1cccc(F)c1F Amb19056341 [0,2,0,0,0,0|2,0,0]=4 3819 B14R1.9 CCCCCOc1cccc(C)c1N Amb9296567 [0,2,0,0,0,0|2,0,0]=4 3820 B14R1.9 CCCCCOc1cccc(F)c1F Amb15690992 [0,2,0,0,0,0|2,0,0]=4 3821 B14R1.9 CCCCNCc1cccc(Br)c1F Amb33830240 [0,2,0,0,0,0|2,0,0]=4 3822 B14R1.9 CCCCNCc1cccc(Br)c1O Amb33044408 [0,2,0,0,0,0|2,0,0]=4 3823 B14R1.9 CCCCNCc1cccc(C)c1C Amb19078683 [0,2,0,0,0,0|2,0,0]=4 3824 B14R1.9 CCCCNCc1cccc(Cl)c1Cl Amb20673547 [0,2,0,0,0,0|2,0,0]=4 3825 B14R1.9 CCCCNCc1cccc(Cl)c1Cl Amb6691118 [0,2,0,0,0,0|2,0,0]=4 3826 B14R1.9 CCCCNCc1cccc(Cl)c1F Amb33363413 [0,2,0,0,0,0|2,0,0]=4 3827 B14R1.9 CCCCNCc1cccc(F)c1F Amb9232940 [0,2,0,0,0,0|2,0,0]=4 3828 B14R1.9 Cc1cccc(C#CCCCO)c1C Amb27217581 [0,2,0,0,0,0|0,0,2]=4 3829 B14R1.9 Cc1cccc(CNCCCO)c1C Amb19079538 [0,2,0,0,0,0|1,0,0]=3 3830 B14R1.9 Cc1cccc(OCCCCO)c1N Amb19063484 [0,2,0,0,0,0|1,0,0]=3 3831 B14R1.9 NC1=CC=CN(CCCCCF)C1=O Amb32699883 [0,2,0,0,0,0|2,0,0]=4 3832 B14R1.9 NC1=CC=CN(CCCCCO)C1=O Amb19081706 [0,2,0,0,0,0|1,0,0]=3 3833 B14R1.9 NC1=CC=CN(CCOCCO)C1=O Amb19083405 [0,2,0,0,0,0|2,0,0]=4 3834 B14R1.9 OCCCNCc1cccc(Br)c1O Amb33044519 [0,2,0,0,0,0|1,0,0]=3 3835 B14R1.9 OCCCNCc1cccc(Cl)c1Cl Amb6733750 [0,2,0,0,0,0|1,0,0]=3 3836 B14R1.9 OCCCNCc1cccc(Cl)c1F Amb33363415 [0,2,0,0,0,0|1,0,0]=3 3837 B14R1.9 OCCCNCc1cccc(F)c1F Amb9282636 [0,2,0,0,0,0|1,0,0]=3 3838 B14R1.20 CC(NCCCO)c1cccc(Br)c1 Amb6733616 [0,2,0,0,0,0|1,0,0]=3 3839 B14R1.20 CC(NCCCO)c1cccc(Cl)c1 Amb6733720 [0,2,0,0,0,0|1,0,0]=3 3840 B14R1.20 CC(NCCCO)c1cccc(F)c1 Amb6733728 [0,2,0,0,0,0|1,0,0]=3 3841 B14R1.20 CCCCCC(N)c1cccc(C)c1 Amb19073670 [0,2,0,0,0,0|1,0,0]=3 3842 B14R1.20 CCCCCC(N)c1cccc(C)c1 Amb32662184 [0,2,0,0,0,0|1,0,0]=3 3843 B14R1.20 CCCCCC(N)c1cccc(C)n1 Amb22642861 [0,2,0,0,0,0|2,0,0]=4 3844 B14R1.20 CCCCCC(N)c1cccc(C)n1 Amb35745627 [0,2,0,0,0,0|2,0,0]=4 3845 B14R1.20 CCCCCC(N)c1cccc(F)c1 Amb19063898 [0,2,0,0,0,0|1,0,0]=3 3846 B14R1.20 CCCCCC(N)c1cccc(F)c1 Amb35745635 [0,2,0,0,0,0|1,0,0]=3 3847 B14R1.20 CCCCNC(C)c1cccc(Br)c1 Amb6691003 [0,2,0,0,0,0|2,0,0]=4 3848 B14R1.20 CCCCNC(C)c1cccc(Cl)c1 Amb6691091 [0,2,0,0,0,0|2,0,0]=4 3849 B14R1.20 CCCNCC(O)c1cccc(C)c1 Amb17139396 [0,2,0,0,0,0|2,0,0]=4 3850 B14R1.20 Cc1cccc(C(=O)CCCCCl)c1 Amb6302025 [0,2,0,0,0,0|1,0,1]=4 3851 B14R1.20 Cc1cccc(C(=O)CSCCO)c1 Amb9668345 [0,2,0,0,0,0|1,0,1]=4 3852 B14R1.20 Cc1cccc(C(=O)NCCCO)c1 Amb9243570 [0,2,0,0,0,0|1,0,1]=4 3853 B14R1.20 Cc1cccc(C(O)CNCCO)c1 Amb32696402 [0,2,0,0,0,0|1,0,0]=3 3854 B14R1.20 Nc1cccc(C(=O)CNCCO)c1 Amb18051454 [0,2,0,0,0,0|1,0,1]=4 3855 B14R1.20 O=C(CCCCCl)c1cccc(Cl)c1 Amb6301862 [0,2,0,0,0,0|1,0,1]=4 3856 B14R1.20 O=C(CCCCCl)c1cccc(I)c1 Amb6301872 [0,2,0,0,0,0|1,0,1]=4 3857 B14R1.20 O=C(CSCCO)c1cccc(Br)c1 Amb9217660 [0,2,0,0,0,0|1,0,1]=4 3858 B14R1.20 O=C(CSCCO)c1cccc(Cl)c1 Amb9668363 [0,2,0,0,0,0|1,0,1]=4 3859 B14R1.20 O=C(CSCCO)c1cccc(F)c1 Amb9668357 [0,2,0,0,0,0|1,0,1]=4 3860 B14R1.20 O=C(NCCCO)c1cccc(Br)c1 Amb9243496 [0,2,0,0,0,0|1,0,1]=4 3861 B14R1.20 O=C(NCCCO)c1cccc(Cl)c1 Amb9243491 [0,2,0,0,0,0|1,0,1]=4 3862 B14R1.20 O=C(NCCCO)c1cccc(F)c1 Amb931591 [0,2,0,0,0,0|1,0,1]=4 3863 B14R1.26 C#CCCCCOc1cccc(F)c1 Amb18635959 [0,2,0,0,0,0|1,0,1]=4 3864 B14R1.26 CCCCCCNc1cccc(Br)c1 Amb7759756 [0,2,0,0,0,0|1,0,0]=3 3865 B14R1.26 CCCCCCNc1cccc(F)n1 Amb33044405 [0,2,0,0,0,0|2,0,0]=4 3866 B14R1.26 CCCCCCOc1cccc(Br)c1 Amb7794832 [0,2,0,0,0,0|1,0,0]=3 3867 B14R1.26 CCCCCCOc1cccc(N)c1 Amb1033055 [0,2,0,0,0,0|1,0,0]=3 3868 B14R1.26 CCCCCNCc1cccc(Br)c1 Amb6688064 [0,2,0,0,0,0|1,0,0]=3 3869 B14R1.26 CCCCCNCc1cccc(C)c1 Amb6688075 [0,2,0,0,0,0|1,0,0]=3 3870 B14R1.26 CCCCCNCc1cccc(Cl)c1 Amb6688178 [0,2,0,0,0,0|1,0,0]=3 3871 B14R1.26 CCCCCNCc1cccc(F)c1 Amb6688070 [0,2,0,0,0,0|1,0,0]=3 3872 B14R1.26 CCCCCNCc1cccc(O)c1 Amb6688181 [0,2,0,0,0,0|1,0,0]=3 3873 B14R1.26 CCCCCOCc1cccc(N)c1 Amb8902761 [0,2,0,0,0,0|1,0,0]=3 3874 B14R1.26 CCCCNCCc1cccc(Br)c1 Amb18053729 [0,2,0,0,0,0|1,0,0]=3 3875 B14R1.26 CCCCNCCc1cccc(N)c1 Amb18550381 [0,2,0,0,0,0|1,0,0]=3 3876 B14R1.26 CCCNCCOc1cccc(Cl)c1 Amb7761196 [0,2,0,0,0,0|2,0,0]=4 3877 B14R1.26 CCCNCCOc1cccc(F)c1 Amb7798575 [0,2,0,0,0,0|2,0,0]=4 3878 B14R1.26 CCCSCCOc1cccc(N)c1 Amb9027498 [0,2,0,0,0,0|2,0,0]=4 3879 B14R1.26 CCNCCCOc1cccc(C)c1 Amb7760994 [0,2,0,0,0,0|2,0,0]=4 3880 B14R1.26 CCNCCCOc1cccc(Cl)c1 Amb7798547 [0,2,0,0,0,0|2,0,0]=4 3881 B14R1.26 CCNCCCOc1cccc(F)c1 Amb7798571 [0,2,0,0,0,0|2,0,0]=4 3882 B14R1.26 CCOCCNCc1cccc(Br)c1 Amb9454115 [0,2,0,0,0,0|2,0,0]=4 3883 B14R1.26 CCOCCNCc1cccc(C)c1 Amb9454128 [0,2,0,0,0,0|2,0,0]=4 3884 B14R1.26 CCOCCNCc1cccc(Cl)c1 Amb9258724 [0,2,0,0,0,0|2,0,0]=4 3885 B14R1.26 CCOCCNCc1cccc(F)c1 Amb9316621 [0,2,0,0,0,0|2,0,0]=4 3886 B14R1.26 CCOCCNCc1cccc(O)c1 Amb9454194 [0,2,0,0,0,0|2,0,0]=4 3887 B14R1.26 CCOCCOCc1cccc(N)c1 Amb6243544 [0,2,0,0,0,0|2,0,0]=4 3888 B14R1.26 CCSCCCOc1cccc(N)c1 Amb9027488 [0,2,0,0,0,0|2,0,0]=4 3889 B14R1.26 CNCCCCOc1cccc(F)c1 Amb19082577 [0,2,0,0,0,0|2,0,0]=4 3890 B14R1.26 CNCCCNCc1cccc(Br)c1 Amb22532169 [0,2,0,0,0,0|2,0,0]=4 3891 B14R1.26 CNCCCNCc1cccc(Cl)c1 Amb22532744 [0,2,0,0,0,0|2,0,0]=4 3892 B14R1.26 COCCCCSc1cncc(Br)c1 Amb33276156 [0,2,0,0,0,0|2,0,0]=4 3893 B14R1.26 COCCCNCc1cccc(Br)c1 Amb875792 [0,2,0,0,0,0|1,0,0]=3 3894 B14R1.26 COCCCNCc1cccc(C)c1 Amb6730160 [0,2,0,0,0,0|1,0,0]=3 3895 B14R1.26 COCCCNCc1cccc(Cl)c1 Amb875916 [0,2,0,0,0,0|1,0,0]=3 3896 B14R1.26 COCCCNCc1cccc(F)c1 Amb6730157 [0,2,0,0,0,0|1,0,0]=3 3897 B14R1.26 COCCCNCc1cccc(O)c1 Amb6730307 [0,2,0,0,0,0|1,0,0]=3 3898 B14R1.26 COCCNCCc1cccc(Br)c1 Amb18053754 [0,2,0,0,0,0|1,0,0]=3 3899 B14R1.26 COCCNCCc1cccc(N)c1 Amb18050453 [0,2,0,0,0,0|1,0,0]=3 3900 B14R1.26 CSCCCNCc1cccc(C)c1 Amb6728654 [0,2,0,0,0,0|1,1,0]=4 3901 B14R1.26 CSCCCNCc1cccc(F)c1 Amb9207659 [0,2,0,0,0,0|1,1,0]=4 3902 B14R1.26 Cc1cccc(CCCOCCBr)n1 Amb13952857 [0,2,0,0,0,0|2,0,0]=4 3903 B14R1.26 Cc1cccc(CCCOCCO)n1 Amb615925 [0,2,0,0,0,0|1,0,0]=3 3904 B14R1.26 Cc1cccc(CCNCCCN)c1 Amb31094289 [0,2,0,0,0,0|1,0,0]=3 3905 B14R1.26 Cc1cccc(OCCCCC#N)c1 Amb17210545 [0,2,0,0,0,0|1,0,1]=4 3906 B14R1.26 Cc1cncc(SCCCCCO)c1 Amb33276317 [0,2,0,0,0,0|1,0,0]=3 3907 B14R1.26 Fc1cccc(OCCCCCS)c1 Amb33449798 [0,2,0,0,0,0|0,1,0]=3 3908 B14R1.26 N#CCCCCOc1cccc(F)c1 Amb18330373 [0,2,0,0,0,0|1,0,1]=4 3909 B14R1.26 NCCCCC#Cc1cccc(Br)c1 Amb35605482 [0,2,0,0,0,0|1,0,1]=4 3910 B14R1.26 NCCCCC#Cc1cccc(Cl)c1 Amb27824260 [0,2,0,0,0,0|1,0,1]=4 3911 B14R1.26 NCCCCC#Cc1cccc(F)c1 Amb28239241 [0,2,0,0,0,0|1,0,1]=4 3912 B14R1.26 NCCCCCOc1cccc(Cl)c1 Amb17241604 [0,2,0,0,0,0|1,0,0]=3 3913 B14R1.26 NCCCCCOc1cccc(Cl)c1 Amb32662102 [0,2,0,0,0,0|1,0,0]=3 3914 B14R1.26 NCCCCCOc1cccc(F)c1 Amb17236612 [0,2,0,0,0,0|1,0,0]=3 3915 B14R1.26 NCCCCCOc1cccc(F)c1 Amb32662101 [0,2,0,0,0,0|1,0,0]=3 3916 B14R1.26 NCCCCSCc1cccc(Cl)c1 Amb17500927 [0,2,0,0,0,0|1,0,0]=3 3917 B14R1.26 NCCCCSCc1cccc(F)c1 Amb17500969 [0,2,0,0,0,0|1,0,0]=3 3918 B14R1.26 NCCCNCCc1cccc(Cl)c1 Amb31094295 [0,2,0,0,0,0|1,0,0]=3 3919 B14R1.26 NCCCNCCc1cccc(F)c1 Amb31094292 [0,2,0,0,0,0|1,0,0]=3 3920 B14R1.26 NCCOCCOc1cccc(F)c1 Amb17236912 [0,2,0,0,0,0|2,0,0]=4 3921 B14R1.26 NCCOCCOc1cccc(F)c1 Amb32662216 [0,2,0,0,0,0|2,0,0]=4 3922 B14R1.26 NCCSCCOc1cccc(Br)c1 Amb8876459 [0,2,0,0,0,0|2,0,0]=4 3923 B14R1.26 NOCCCCOc1cccc(F)c1 Amb33417435 [0,2,0,0,0,0|1,0,0]=3 3924 B14R1.26 Nc1cccc(CCNCCCO)c1 Amb18550371 [0,2,0,0,0,0|0,0,0]=2 3925 B14R1.26 O=C=NCCCCc1cccc(Br)c1 Amb33006698 [0,2,0,0,0,0|0,0,2]=4 3926 B14R1.26 O=CCCCCOc1cccc(F)c1 Amb33417064 [0,2,0,0,0,0|0,0,2]=4 3927 B14R1.26 OCCCCCOc1cccc(F)c1 Amb19083497 [0,2,0,0,0,0|0,0,0]=2 3928 B14R1.26 OCCCCCSc1cncc(Br)c1 Amb33276143 [0,2,0,0,0,0|1,0,0]=3 3929 B14R1.26 OCCCCNCc1cccc(Br)c1 Amb6465239 [0,2,0,0,0,0|0,0,0]=2 3930 B14R1.26 OC\C=C\CCOc1cccc(F)c1 Amb33417114 [0,2,0,0,0,0|0,0,2]=4 3931 B14R1.26 [C-]#[N+]CCCCOc1cccc(F)c1 Amb33417446 [0,2,0,0,0,0|2,0,0]=4 3932 B14R1.26 [N-]=[N+]=NCCCCc1cccc(Br)c1 Amb33006680 [0,2,0,0,0,0|2,0,0]=4 3933 B14R1.32 C=C(CCN)CCc1cccc(Br)c1 Amb33006684 [0,2,0,0,0,0|1,0,1]=4 3934 B14R1.32 CC(CCN)CCc1cccc(Br)c1 Amb33006707 [0,2,0,0,0,0|1,0,0]=3 3935 B14R1.32 CC(CCc1cccc(Br)c1)CON Amb33006657 [0,2,0,0,0,0|2,0,0]=4 3936 B14R1.32 CCCC(C)NCc1cccc(O)c1 Amb9732442 [0,2,0,0,0,0|2,0,0]=4 3937 B14R1.32 CN(CCN)CCc1cccc(Cl)c1 Amb17339918 [0,2,0,0,0,0|2,0,0]=4 3938 B14R1.32 CN(CCN)CCc1cccc(F)c1 Amb31172751 [0,2,0,0,0,0|2,0,0]=4 3939 B14R1.32 CN(CCO)CCc1cccc(Cl)c1 Amb17340150 [0,2,0,0,0,0|1,0,0]=3 3940 B14R1.32 CN(CCO)CCc1cccc(F)c1 Amb31172827 [0,2,0,0,0,0|1,0,0]=3 3941 B14R1.32 CN(CCO)CCc1cccc(N)c1 Amb17227685 [0,2,0,0,0,0|1,0,0]=3 3942 B14R1.32 CNCC(O)CCc1cccc(Br)c1 Amb33007881 [0,2,0,0,0,0|2,0,0]=4 3943 B14R1.32 Cc1cccc(CCC(O)CC#N)c1 Amb17234677 [0,2,0,0,0,0|1,0,1]=4 3944 B14R1.32 Cc1cccc(CCN(C)CCN)c1 Amb31172749 [0,2,0,0,0,0|2,0,0]=4 3945 B14R1.32 Cc1cccc(CCN(C)CCO)c1 Amb31172825 [0,2,0,0,0,0|1,0,0]=3 3946 B14R1.32 N#CCC(O)CCc1cccc(Br)c1 Amb17263739 [0,2,0,0,0,0|1,0,1]=4 3947 B14R1.32 N#CCC(O)CCc1cccc(Cl)c1 Amb17240444 [0,2,0,0,0,0|1,0,1]=4 3948 B14R1.32 NC(CCO)CCc1cccc(Br)c1 Amb33006697 [0,2,0,0,0,0|0,0,0]=2 3949 B14R1.32 NCCC(=O)CCc1cccc(Br)c1 Amb33006704 [0,2,0,0,0,0|1,0,1]=4 3950 B14R1.32 NCCC(F)CCc1cccc(Br)c1 Amb33006649 [0,2,0,0,0,0|1,0,0]=3 3951 B14R1.32 NCCC(O)CCc1cccc(Br)c1 Amb17266170 [0,2,0,0,0,0|1,0,0]=3 3952 B14R1.32 NCC[C@@H](O)CCc1cccc(Br)c1 Amb33006655 [0,2,0,0,0,0|1,0,0]=3 3953 B14R1.32 NCC[C@H](O)CCc1cccc(Br)c1 Amb33006658 [0,2,0,0,0,0|1,0,0]=3 3954 B14R1.34 CC(CCCO)Nc1cccc(F)c1 Amb21984574 [0,2,0,0,0,0|1,0,0]=3 3955 B14R1.34 CCCCC(N)Cc1cccc(Br)c1 Amb18049696 [0,2,0,0,0,0|1,0,0]=3 3956 B14R1.34 CCCCN(C)Cc1cccc(Br)c1 Amb9173855 [0,2,0,0,0,0|2,0,0]=4 3957 B14R1.34 CCCCN(C)Cc1cccc(N)c1 Amb6251944 [0,2,0,0,0,0|2,0,0]=4 3958 B14R1.34 CCCNC(C)Cc1cccc(Br)c1 Amb18053864 [0,2,0,0,0,0|2,0,0]=4 3959 B14R1.34 CN(CCCN)Cc1cccc(Br)c1 Amb31172765 [0,2,0,0,0,0|2,0,0]=4 3960 B14R1.34 CN(CCCN)Cc1cccc(Cl)c1 Amb31172762 [0,2,0,0,0,0|2,0,0]=4 3961 B14R1.34 CN(CCCN)Cc1cccc(F)c1 Amb6670560 [0,2,0,0,0,0|2,0,0]=4 3962 B14R1.34 Cc1cccc(CN(C)CCCN)c1 Amb6670571 [0,2,0,0,0,0|2,0,0]=4 3963 B14R1.34 Cc1cccc(NC(=O)CCCO)c1 Amb1111421 [0,2,0,0,0,0|1,0,1]=4 3964 B14R1.34 Cc1cccc(NC(C)CCCO)c1 Amb21984577 [0,2,0,0,0,0|1,0,0]=3 3965 B14R1.34 Nc1cccc(NC(=O)CCCO)c1 Amb9214985 [0,2,0,0,0,0|1,0,1]=4 3966 B14R1.34 O=C(CCCO)Nc1cccc(Br)c1 Amb17266146 [0,2,0,0,0,0|1,0,1]=4 3967 B14R1.34 O=C(CCCO)Nc1cccc(Cl)c1 Amb17241541 [0,2,0,0,0,0|1,0,1]=4 3968 B14R1.34 O=C(CCCO)Nc1cccc(F)c1 Amb17236547 [0,2,0,0,0,0|1,0,1]=4 3969 B14R1.34 O=C(CCCO)Nc1cccc(I)c1 Amb28398403 [0,2,0,0,0,0|1,0,1]=4 3970 B14R1.34 O=C(CCCO)Nc1cccc(O)c1 Amb27425458 [0,2,0,0,0,0|1,0,1]=4 3971 B14R1.148 CC(=O)CCCCc1cccc(Br)c1 Amb17264249 [0,2,0,0,0,0|0,0,2]=4 3972 B14R1.148 CC(Br)CCCOc1cccc(F)c1 Amb33006336 [0,2,0,0,0,0|2,0,0]=4 3973 B14R1.148 CC(C)CCNCc1cccc(Br)c1 Amb875793 [0,2,0,0,0,0|2,0,0]=4 3974 B14R1.148 CC(C)CCNCc1cccc(F)c1 Amb6692715 [0,2,0,0,0,0|2,0,0]=4 3975 B14R1.148 CC(C)CCNCc1cccc(O)c1 Amb6692824 [0,2,0,0,0,0|2,0,0]=4 3976 B14R1.148 CC(C)CNCCc1cccc(Cl)c1 Amb17193885 [0,2,0,0,0,0|2,0,0]=4 3977 B14R1.148 CC(C)CNCCc1cccc(F)c1 Amb9255592 [0,2,0,0,0,0|2,0,0]=4 3978 B14R1.148 CC(C)CNCCc1cccc(N)c1 Amb18050976 [0,2,0,0,0,0|2,0,0]=4 3979 B14R1.148 CC(N)CCCCc1cccc(Br)c1 Amb33006666 [0,2,0,0,0,0|1,0,0]=3 3980 B14R1.148 CC(O)CCCCc1cccc(Br)c1 Amb33006667 [0,2,0,0,0,0|0,0,0]=2 3981 B14R1.148 CC(O)CCCOc1cccc(F)c1 Amb17236737 [0,2,0,0,0,0|1,0,0]=3 3982 B14R1.148 CC(O)CCNCc1cccc(Br)c1 Amb33496491 [0,2,0,0,0,0|1,0,0]=3 3983 B14R1.148 CC(O)CCNCc1cccc(Cl)c1 Amb33496469 [0,2,0,0,0,0|1,0,0]=3 3984 B14R1.148 CC(O)CCNCc1cccc(F)c1 Amb33496524 [0,2,0,0,0,0|1,0,0]=3 3985 B14R1.148 CC(O)CCNCc1cccc(O)c1 Amb33496525 [0,2,0,0,0,0|1,0,0]=3 3986 B14R1.148 CC(O)CNCCc1cccc(N)c1 Amb18050197 [0,2,0,0,0,0|1,0,0]=3 3987 B14R1.148 CN(O)CCCOc1cccc(F)c1 Amb33417770 [0,2,0,0,0,0|2,0,0]=4 3988 B14R1.148 C[C@@H](N)CCCCc1cccc(Br)c1 Amb33006678 [0,2,0,0,0,0|1,0,0]=3 3989 B14R1.148 C[C@@H](N)CCCOc1cccc(F)c1 Amb33226689 [0,2,0,0,0,0|2,0,0]=4 3990 B14R1.148 C[C@@H](O)CCCCc1cccc(Br)c1 Amb33006676 [0,2,0,0,0,0|0,0,0]=2 3991 B14R1.148 C[C@@H](O)CCCOc1cccc(F)c1 Amb33318854 [0,2,0,0,0,0|1,0,0]=3 3992 B14R1.148 C[C@H](N)CCCCc1cccc(Br)c1 Amb33006659 [0,2,0,0,0,0|1,0,0]=3 3993 B14R1.148 C[C@H](N)CCCOc1cccc(F)c1 Amb33318859 [0,2,0,0,0,0|2,0,0]=4 3994 B14R1.148 C[C@H](O)CCCCc1cccc(Br)c1 Amb33006672 [0,2,0,0,0,0|0,0,0]=2 3995 B14R1.148 C[C@H](O)CCCOc1cccc(F)c1 Amb33318856 [0,2,0,0,0,0|1,0,0]=3 3996 B14R1.148 Cc1cccc(CCNCC(C)C)c1 Amb17193882 [0,2,0,0,0,0|2,0,0]=4 3997 B14R1.148 Cc1cccc(CNCCC(=O)O)c1 Amb1111411 [0,2,0,0,0,0|1,0,1]=4 3998 B14R1.148 Cc1cccc(CNCCC(=O)O)c1 Amb9154875 [0,2,0,0,0,0|1,0,1]=4 3999 B14R1.148 Cc1cccc(CNCCC(C)O)c1 Amb33496475 [0,2,0,0,0,0|1,0,0]=3 4000 B14R1.148 Cc1cccc(OCCCC(=O)O)c1 Amb1206876 [0,2,0,0,0,0|1,0,1]=4 4001 B14R1.148 Nc1cccc(CSCCC(=O)O)c1 Amb33802989 [0,2,0,0,0,0|1,0,1]=4 4002 B14R1.148 Nc1cccc(OCCCC(=O)O)c1 Amb18111932 [0,2,0,0,0,0|1,0,1]=4 4003 B14R1.148 O=C(O)CCCCc1cccc(Br)c1 Amb18049692 [0,2,0,0,0,0|0,0,1]=3 4004 B14R1.148 O=C(O)CCCCc1cccc(O)c1 Amb20668368 [0,2,0,0,0,0|0,0,1]=3 4005 B14R1.148 O=C(O)CCCOc1cccc(Br)c1 Amb15371 [0,2,0,0,0,0|1,0,1]=4 4006 B14R1.148 O=C(O)CCCOc1cccc(Cl)c1 Amb6252390 [0,2,0,0,0,0|1,0,1]=4 4007 B14R1.148 O=C(O)CCCOc1cccc(F)c1 Amb1950653 [0,2,0,0,0,0|1,0,1]=4 4008 B14R1.148 O=C(O)CCCSc1cccc(Cl)c1 Amb5776548 [0,2,0,0,0,0|1,0,1]=4 4009 B14R1.148 O=C(O)CCNCc1cccc(Br)c1 Amb8833865 [0,2,0,0,0,0|1,0,1]=4 4010 B14R1.148 O=C(O)CCNCc1cccc(Cl)c1 Amb10187387 [0,2,0,0,0,0|1,0,1]=4 4011 B14R1.148 O=C(O)CCNCc1cccc(Cl)c1 Amb1110208 [0,2,0,0,0,0|1,0,1]=4 4012 B14R1.148 O=C(O)CCNCc1cccc(F)c1 Amb2372350 [0,2,0,0,0,0|1,0,1]=4 4013 B14R1.148 O=C(O)CCNCc1cccc(F)c1 Amb28600447 [0,2,0,0,0,0|1,0,1]=4 4014 B14R1.148 O=C(O)COCCc1cccc(Br)c1 Amb17473652 [0,2,0,0,0,0|1,0,1]=4 4015 B14R1.148 O=C(O)COCCc1cccc(Cl)c1 Amb17471508 [0,2,0,0,0,0|1,0,1]=4 4016 B14R1.148 O=C(O)COCCc1cccc(F)c1 Amb17470974 [0,2,0,0,0,0|1,0,1]=4 4017 B14R1.148 O=[N+]([O-])CCCCc1cccc(Br)c1 Amb33006681 [0,2,0,0,0,0|1,0,1]=4 4018 B14R1.218 CCCCCCN1C=C(N)C=CC1=O Amb18028632 [0,2,0,0,0,0|2,0,0]=4 4019 B14R1.218 CCCCCNc1cc(Cl)ccc1Cl Amb6641838 [0,2,0,0,0,0|2,0,0]=4 4020 B14R1.218 CCCCCNc1cc(F)ccc1F Amb6709823 [0,2,0,0,0,0|2,0,0]=4 4021 B14R1.218 CCCCNCc1cc(Br)ccc1F Amb6690943 [0,2,0,0,0,0|2,0,0]=4 4022 B14R1.218 CCCCNCc1cc(Br)ccc1O Amb19890734 [0,2,0,0,0,0|2,0,0]=4 4023 B14R1.218 CCCCNCc1cc(Br)ccc1O Amb20673555 [0,2,0,0,0,0|2,0,0]=4 4024 B14R1.218 CCCCNCc1cc(C)ccc1C Amb19078682 [0,2,0,0,0,0|2,0,0]=4 4025 B14R1.218 CCCCNCc1cc(C)ccc1O Amb18651593 [0,2,0,0,0,0|2,0,0]=4 4026 B14R1.218 CCCCNCc1cc(Cl)ccc1Br Amb33363117 [0,2,0,0,0,0|2,0,0]=4 4027 B14R1.218 CCCCNCc1cc(Cl)ccc1O Amb6691055 [0,2,0,0,0,0|2,0,0]=4 4028 B14R1.218 CCCCNCc1cc(F)ccc1F Amb8945138 [0,2,0,0,0,0|2,0,0]=4 4029 B14R1.218 CCCNCCc1cc(Br)ccc1C Amb33068796 [0,2,0,0,0,0|2,0,0]=4 4030 B14R1.218 Cc1ccc(C)c(CCCCC#N)c1 Amb18863276 [0,2,0,0,0,0|1,0,1]=4 4031 B14R1.218 Cc1ccc(C)c(CNCCCN)c1 Amb9173970 [0,2,0,0,0,0|2,0,0]=4 4032 B14R1.218 Cc1ccc(C)c(CNCCCO)c1 Amb17401820 [0,2,0,0,0,0|1,0,0]=3 4033 B14R1.218 Cc1ccc(C)c(NCCCCO)c1 Amb6543133 [0,2,0,0,0,0|1,0,0]=3 4034 B14R1.218 Cc1ccc(O)c(CNCCCO)c1 Amb33496296 [0,2,0,0,0,0|1,0,0]=3 4035 B14R1.218 N#CCCCCc1cc(Cl)ccc1F Amb18866290 [0,2,0,0,0,0|1,0,1]=4 4036 B14R1.218 N#CCCCCc1cc(F)ccc1F Amb18863971 [0,2,0,0,0,0|1,0,1]=4 4037 B14R1.218 NC1=CN(CCCCCF)C(=O)C=C1 Amb32699885 [0,2,0,0,0,0|2,0,0]=4 4038 B14R1.218 NC1=CN(CCCCCO)C(=O)C=C1 Amb19081705 [0,2,0,0,0,0|1,0,0]=3 4039 B14R1.218 NC1=CN(CCOCCO)C(=O)C=C1 Amb19055047 [0,2,0,0,0,0|2,0,0]=4 4040 B14R1.218 O=CCCCCc1cc(F)ccc1F Amb18050071 [0,2,0,0,0,0|0,0,2]=4 4041 B14R1.218 OCCCNCc1cc(Br)ccc1F Amb6733550 [0,2,0,0,0,0|1,0,0]=3 4042 B14R1.218 OCCCNCc1cc(Cl)ccc1Br Amb33363119 [0,2,0,0,0,0|1,0,0]=3 4043 B14R1.218 OCCCNCc1cc(Cl)ccc1O Amb6733678 [0,2,0,0,0,0|1,0,0]=3 4044 B14R1.218 OCCCNCc1cc(F)ccc1F Amb8945332 [0,2,0,0,0,0|1,0,0]=3 4045 B14R1.228 CCCCCNc1cccc(C#N)c1 Amb6712071 [0,2,0,0,0,0|2,0,0]=4 4046 B14R1.228 CCCCCNc1cccc(CO)c1 Amb9227127 [0,2,0,0,0,0|2,0,0]=4 4047 B14R1.228 CCCCCNc1cccc(OC)c1 Amb6713942 [0,2,0,0,0,0|2,0,0]=4 4048 B14R1.228 CCCCCOc1cccc(C#N)c1 Amb5768006 [0,2,0,0,0,0|2,0,0]=4 4049 B14R1.228 CCCCCOc1cccc(C=O)c1 Amb2690076 [0,2,0,0,0,0|2,0,0]=4 4050 B14R1.228 CCCCNCc1cccc(C#N)c1 Amb6690996 [0,2,0,0,0,0|2,0,0]=4 4051 B14R1.228 CCCCNCc1cccc(OC)c1 Amb1923322 [0,2,0,0,0,0|2,0,0]=4 4052 B14R1.228 CCCCNCc1cccc(OC)c1 Amb6864871 [0,2,0,0,0,0|2,0,0]=4 4053 B14R1.228 CCCNCCc1cccc(OC)c1 Amb8853750 [0,2,0,0,0,0|2,0,0]=4 4054 B14R1.228 COc1cccc(CCCCC=O)c1 Amb18549445 [0,2,0,0,0,0|0,0,2]=4 4055 B14R1.228 COc1cccc(CCNCCN)c1 Amb17091035 [0,2,0,0,0,0|2,0,0]=4 4056 B14R1.228 COc1cccc(CCNCCO)c1 Amb17402028 [0,2,0,0,0,0|1,0,0]=3 4057 B14R1.228 COc1cccc(CNCCCN)c1 Amb10075554 [0,2,0,0,0,0|2,0,0]=4 4058 B14R1.228 COc1cccc(CNCCCO)c1 Amb6733565 [0,2,0,0,0,0|1,0,0]=3 4059 B14R1.228 COc1cccc(NCCCCO)c1 Amb6336191 [0,2,0,0,0,0|1,0,0]=3 4060 B14R1.228 N#Cc1cccc(C#CCCCO)c1 Amb27182732 [0,2,0,0,0,0|0,0,2]=4 4061 B14R1.228 N#Cc1cccc(CNCCCO)c1 Amb6733607 [0,2,0,0,0,0|1,0,0]=3 4062 B14R1.228 N#Cc1cccc(CSCCCN)c1 Amb17500722 [0,2,0,0,0,0|2,0,0]=4 4063 B14R1.228 N#Cc1cccc(OCCCCN)c1 Amb17562053 [0,2,0,0,0,0|2,0,0]=4 4064 B14R1.228 O=Cc1cccc(OCCCCBr)c1 Amb15741080 [0,2,0,0,0,0|2,0,0]=4 4065 B14R1.232 C=CCCCCc1ccc(Cl)c(C)c1 Amb33252956 [0,2,0,0,0,0|1,0,1]=4 4066 B14R1.232 CCCCCCN1C=CC(=O)C(N)=C1 Amb32699421 [0,2,0,0,0,0|2,0,0]=4 4067 B14R1.232 CCCCCNc1ccc(C)c(C)c1 Amb6629353 [0,2,0,0,0,0|2,0,0]=4 4068 B14R1.232 CCCCCNc1ccc(F)c(Cl)c1 Amb7759966 [0,2,0,0,0,0|2,0,0]=4 4069 B14R1.232 CCCCCNc1ccc(F)c(F)c1 Amb6711582 [0,2,0,0,0,0|2,0,0]=4 4070 B14R1.232 CCCCNCc1ccc(Br)c(C)c1 Amb33363158 [0,2,0,0,0,0|2,0,0]=4 4071 B14R1.232 CCCCNCc1ccc(Br)c(F)c1 Amb33044602 [0,2,0,0,0,0|2,0,0]=4 4072 B14R1.232 CCCCNCc1ccc(C)c(C)c1 Amb9218137 [0,2,0,0,0,0|2,0,0]=4 4073 B14R1.232 CCCCNCc1ccc(C)c(F)c1 Amb19081011 [0,2,0,0,0,0|2,0,0]=4 4074 B14R1.232 CCCCNCc1ccc(Cl)c(C)c1 Amb32700405 [0,2,0,0,0,0|2,0,0]=4 4075 B14R1.232 CCCCNCc1ccc(Cl)c(Cl)c1 Amb19890331 [0,2,0,0,0,0|2,0,0]=4 4076 B14R1.232 CCCCNCc1ccc(Cl)c(Cl)c1 Amb6690954 [0,2,0,0,0,0|2,0,0]=4 4077 B14R1.232 CCCCNCc1ccc(Cl)c(F)c1 Amb33044588 [0,2,0,0,0,0|2,0,0]=4 4078 B14R1.232 CCCCNCc1ccc(F)c(Br)c1 Amb6691092 [0,2,0,0,0,0|2,0,0]=4 4079 B14R1.232 CCCCNCc1ccc(F)c(C)c1 Amb19081012 [0,2,0,0,0,0|2,0,0]=4 4080 B14R1.232 CCCCNCc1ccc(F)c(Cl)c1 Amb33506180 [0,2,0,0,0,0|2,0,0]=4 4081 B14R1.232 CCCCNCc1ccc(F)c(F)c1 Amb6690968 [0,2,0,0,0,0|2,0,0]=4 4082 B14R1.232 CCCCSCc1ccc(O)c(O)c1 Amb24060596 [0,2,0,0,0,0|2,0,0]=4 4083 B14R1.232 CCCNCCc1ccc(Cl)c(C)c1 Amb18053693 [0,2,0,0,0,0|2,0,0]=4 4084 B14R1.232 CCNCCCc1ccc(Cl)c(C)c1 Amb33252801 [0,2,0,0,0,0|2,0,0]=4 4085 B14R1.232 CNCCCCc1ccc(Cl)c(C)c1 Amb33252641 [0,2,0,0,0,0|2,0,0]=4 4086 B14R1.232 Cc1cc(C#CCCCO)ccc1Cl Amb28187452 [0,2,0,0,0,0|0,0,2]=4 4087 B14R1.232 Cc1cc(CCCCC#N)ccc1F Amb18863632 [0,2,0,0,0,0|1,0,1]=4 4088 B14R1.232 Cc1cc(CCCCC=O)ccc1Cl Amb18549436 [0,2,0,0,0,0|0,0,2]=4 4089 B14R1.232 Cc1cc(CCCCC=O)ccc1F Amb18050060 [0,2,0,0,0,0|0,0,2]=4 4090 B14R1.232 Cc1cc(CNCCCBr)ccc1Cl Amb33252712 [0,2,0,0,0,0|2,0,0]=4 4091 B14R1.232 Cc1cc(CNCCCCl)ccc1Cl Amb33252706 [0,2,0,0,0,0|2,0,0]=4 4092 B14R1.232 Cc1cc(CNCCCF)ccc1Cl Amb33253317 [0,2,0,0,0,0|2,0,0]=4 4093 B14R1.232 Cc1cc(CNCCCI)ccc1Cl Amb33252714 [0,2,0,0,0,0|2,0,0]=4 4094 B14R1.232 Cc1cc(CNCCCN)ccc1Cl Amb33253287 [0,2,0,0,0,0|2,0,0]=4 4095 B14R1.232 Cc1cc(CNCCCO)ccc1Br Amb33363161 [0,2,0,0,0,0|1,0,0]=3 4096 B14R1.232 Cc1cc(CNCCCO)ccc1Cl Amb32700407 [0,2,0,0,0,0|1,0,0]=3 4097 B14R1.232 Cc1cc(CNCCCO)ccc1F Amb17402205 [0,2,0,0,0,0|1,0,0]=3 4098 B14R1.232 Cc1cc(COCCCN)ccc1Cl Amb33252524 [0,2,0,0,0,0|2,0,0]=4 4099 B14R1.232 Cc1cc(CSCCCCl)ccc1Cl Amb33252577 [0,2,0,0,0,0|2,0,0]=4 4100 B14R1.232 Cc1cc(CSCCCN)ccc1Cl Amb33252855 [0,2,0,0,0,0|2,0,0]=4 4101 B14R1.232 Cc1cc(CSCCCO)ccc1Cl Amb33252561 [0,2,0,0,0,0|1,0,0]=3 4102 B14R1.232 Cc1ccc(CCCCC#N)cc1C Amb18863275 [0,2,0,0,0,0|1,0,1]=4 4103 B14R1.232 Cc1ccc(CCCCC=O)cc1C Amb18050041 [0,2,0,0,0,0|0,0,2]=4 4104 B14R1.232 Cc1ccc(CNCCCO)cc1C Amb9218121 [0,2,0,0,0,0|1,0,0]=3 4105 B14R1.232 Cc1ccc(CNCCCO)cc1F Amb33442304 [0,2,0,0,0,0|1,0,0]=3 4106 B14R1.232 Cc1ccc(NCCCCO)cc1C Amb6334860 [0,2,0,0,0,0|1,0,0]=3 4107 B14R1.232 Clc1ccc(OCCCCBr)cc1Cl Amb32410458 [0,2,0,0,0,0|2,0,0]=4 4108 B14R1.232 N#CCCCCc1ccc(F)c(Cl)c1 Amb18866289 [0,2,0,0,0,0|1,0,1]=4 4109 B14R1.232 N#CCCCCc1ccc(F)c(F)c1 Amb18863972 [0,2,0,0,0,0|1,0,1]=4 4110 B14R1.232 NC1=CN(CCCCCF)C=CC1=O Amb32699884 [0,2,0,0,0,0|2,0,0]=4 4111 B14R1.232 NC1=CN(CCCCCO)C=CC1=O Amb32699440 [0,2,0,0,0,0|1,0,0]=3 4112 B14R1.232 NC1=CN(CCOCCO)C=CC1=O Amb32701665 [0,2,0,0,0,0|2,0,0]=4 4113 B14R1.232 NCCCCOc1ccc(Cl)c(Cl)c1 Amb17251282 [0,2,0,0,0,0|2,0,0]=4 4114 B14R1.232 NCCCCOc1ccc(F)c(F)c1 Amb32662407 [0,2,0,0,0,0|2,0,0]=4 4115 B14R1.232 NCCCCOc1ccc(F)c(F)c1 Amb9417097 [0,2,0,0,0,0|2,0,0]=4 4116 B14R1.232 NCCCCSc1ccc(Cl)c(Cl)c1 Amb17083086 [0,2,0,0,0,0|2,0,0]=4 4117 B14R1.232 NCCCSCc1ccc(Cl)c(Cl)c1 Amb17500686 [0,2,0,0,0,0|2,0,0]=4 4118 B14R1.232 O=CCCCCc1ccc(Cl)c(Cl)c1 Amb18549440 [0,2,0,0,0,0|0,0,2]=4 4119 B14R1.232 O=CCCCCc1ccc(F)c(F)c1 Amb18549470 [0,2,0,0,0,0|0,0,2]=4 4120 B14R1.232 OCCCC#Cc1ccc(Cl)c(Cl)c1 Amb27182693 [0,2,0,0,0,0|0,0,2]=4 4121 B14R1.232 OCCCNCc1ccc(Br)c(Br)c1 Amb33363397 [0,2,0,0,0,0|1,0,0]=3 4122 B14R1.232 OCCCNCc1ccc(Br)c(F)c1 Amb33363430 [0,2,0,0,0,0|1,0,0]=3 4123 B14R1.232 OCCCNCc1ccc(Cl)c(Br)c1 Amb33442206 [0,2,0,0,0,0|1,0,0]=3 4124 B14R1.232 OCCCNCc1ccc(Cl)c(Cl)c1 Amb10609883 [0,2,0,0,0,0|1,0,0]=3 4125 B14R1.232 OCCCNCc1ccc(Cl)c(Cl)c1 Amb6733561 [0,2,0,0,0,0|1,0,0]=3 4126 B14R1.232 OCCCNCc1ccc(Cl)c(F)c1 Amb33044591 [0,2,0,0,0,0|1,0,0]=3 4127 B14R1.232 OCCCNCc1ccc(F)c(Br)c1 Amb6733721 [0,2,0,0,0,0|1,0,0]=3 4128 B14R1.232 OCCCNCc1ccc(F)c(Cl)c1 Amb33506191 [0,2,0,0,0,0|1,0,0]=3 4129 B14R1.232 OCCCNCc1ccc(F)c(F)c1 Amb6733576 [0,2,0,0,0,0|1,0,0]=3 4130 B14R1.443 CCCCCNc1cc(C)cc(C)c1 Amb6630295 [0,2,0,0,0,0|2,0,0]=4 4131 B14R1.443 CCCCCNc1cc(Cl)cc(Cl)c1 Amb6642579 [0,2,0,0,0,0|2,0,0]=4 4132 B14R1.443 CCCCCOc1cc(Br)cc(Br)c1 Amb34911160 [0,2,0,0,0,0|2,0,0]=4 4133 B14R1.443 CCCCNCc1cc(C)cc(C)c1 Amb19078691 [0,2,0,0,0,0|2,0,0]=4 4134 B14R1.443 CCCCNCc1cc(Cl)cc(Cl)c1 Amb20077877 [0,2,0,0,0,0|2,0,0]=4 4135 B14R1.443 Cc1cc(C)cc(C#CCCCO)c1 Amb27602713 [0,2,0,0,0,0|0,0,2]=4 4136 B14R1.443 Cc1cc(C)cc(CCCCCN)c1 Amb18066271 [0,2,0,0,0,0|1,0,0]=3 4137 B14R1.443 Cc1cc(C)cc(CNCCCO)c1 Amb19079542 [0,2,0,0,0,0|1,0,0]=3 4138 B14R1.443 NCCCCOc1cc(F)cc(F)c1 Amb19087709 [0,2,0,0,0,0|2,0,0]=4 4139 B14R1.443 NCCCCOc1cc(F)cc(F)c1 Amb32662408 [0,2,0,0,0,0|2,0,0]=4 4140 B14R1.443 OCCCNCc1cc(Cl)cc(Cl)c1 Amb32802237 [0,2,0,0,0,0|1,0,0]=3 4141 B14R1.1025 CC(CBr)CCOc1cccc(F)c1 Amb33006337 [0,2,0,0,0,0|2,0,0]=4 4142 B14R1.1025 CC(CN)CCOc1cccc(F)c1 Amb17236614 [0,2,0,0,0,0|2,0,0]=4 4143 B14R1.1025 CCC(C)CNCc1cccc(C)c1 Amb6728659 [0,2,0,0,0,0|2,0,0]=4 4144 B14R1.1025 CCC(C)CNCc1cccc(Cl)c1 Amb33506174 [0,2,0,0,0,0|2,0,0]=4 4145 B14R1.1025 CCC(C)CNCc1cccc(F)c1 Amb7781924 [0,2,0,0,0,0|2,0,0]=4 4146 B14R1.1025 CCC(C)NCCc1cccc(C)c1 Amb19073626 [0,2,0,0,0,0|2,0,0]=4 4147 B14R1.1025 CCC(C)NCCc1cccc(F)c1 Amb9428763 [0,2,0,0,0,0|2,0,0]=4 4148 B14R1.1025 CCC(C)NCCc1cccc(N)c1 Amb18050964 [0,2,0,0,0,0|2,0,0]=4 4149 B14R1.1025 Cc1cccc(CCNC(=O)CO)c1 Amb17401772 [0,2,0,0,0,0|1,0,1]=4 4150 B14R1.1025 Cc1cccc(CNC[C@@H](O)CO)c1 Amb19052379 [0,2,0,0,0,0|1,0,0]=3 4151 B14R1.1025 NC(CO)CCCc1cccc(Br)c1 Amb33006669 [0,2,0,0,0,0|0,0,0]=2 4152 B14R1.1025 NC(CO)CCOc1cccc(F)c1 Amb18566128 [0,2,0,0,0,0|1,0,0]=3 4153 B14R1.1025 NCC(F)CCOc1cccc(F)c1 Amb33417441 [0,2,0,0,0,0|2,0,0]=4 4154 B14R1.1025 NCC(O)CCCc1cccc(Br)c1 Amb18586800 [0,2,0,0,0,0|1,0,0]=3 4155 B14R1.1025 NCC(O)CCOc1cccc(F)c1 Amb17077134 [0,2,0,0,0,0|2,0,0]=4 4156 B14R1.1025 NC[C@@H](O)CCOc1cccc(F)c1 Amb33417438 [0,2,0,0,0,0|2,0,0]=4 4157 B14R1.1025 NC[C@H](O)CCOc1cccc(F)c1 Amb33417439 [0,2,0,0,0,0|2,0,0]=4 4158 B14R1.1025 N[C@@H](CO)CCOc1cccc(F)c1 Amb33318866 [0,2,0,0,0,0|1,0,0]=3 4159 B14R1.1025 N[C@H](CO)CCOc1cccc(F)c1 Amb33475234 [0,2,0,0,0,0|1,0,0]=3 4160 B14R1.1025 O=C(CO)NCCc1cccc(Br)c1 Amb17415247 [0,2,0,0,0,0|1,0,1]=4 4161 B14R1.1025 O=C(CO)NCCc1cccc(Cl)c1 Amb9421454 [0,2,0,0,0,0|1,0,1]=4 4162 B14R1.1025 OC(CBr)CCOc1cccc(F)c1 Amb33006338 [0,2,0,0,0,0|2,0,0]=4 4163 B14R1.1025 OC(CF)CCOc1cccc(F)c1 Amb33417122 [0,2,0,0,0,0|2,0,0]=4 4164 B14R1.1025 OCC(O)CCOc1cccc(F)c1 Amb33359053 [0,2,0,0,0,0|1,0,0]=3 4165 B14R1.1025 OC[C@H](O)CNCc1cccc(Br)c1 Amb33041842 [0,2,0,0,0,0|1,0,0]=3 4166 B14R1.1025 OC[C@H](O)CNCc1cccc(Cl)c1 Amb33041848 [0,2,0,0,0,0|1,0,0]=3 4167 B14R1.1025 OC[C@H](O)CNCc1cccc(F)c1 Amb33041856 [0,2,0,0,0,0|1,0,0]=3 4168 B14R1.1025 OC[C@H](O)CNCc1cccc(O)c1 Amb33041835 [0,2,0,0,0,0|1,0,0]=3 4169 B14R1.13 CCC(C)CNCc1ccc(C)cc1 Amb6721651 [0,2,0,0,0,0|2,0,0]=4 4170 B14R1.13 CCC(C)CNCc1ccc(Cl)cc1 Amb6638692 [0,2,0,0,0,0|2,0,0]=4 4171 B14R1.13 CCC(C)CNCc1ccc(F)cc1 Amb6721202 [0,2,0,0,0,0|2,0,0]=4 4172 B14R1.13 CCC(C)NCCc1ccc(Cl)cc1 Amb6723789 [0,2,0,0,0,0|2,0,0]=4 4173 B14R1.13 CCC(C)NCCc1ccc(F)cc1 Amb6689452 [0,2,0,0,0,0|2,0,0]=4 4174 B14R1.13 CCC(N)CCSc1ccc(Br)cc1 Amb13881562 [0,2,0,0,0,0|2,0,0]=4 4175 B14R1.13 CCC(N)CCSc1ccc(C)cc1 Amb13881556 [0,2,0,0,0,0|2,0,0]=4 4176 B14R1.13 CCC(N)CCSc1ccc(Cl)cc1 Amb13881559 [0,2,0,0,0,0|2,0,0]=4 4177 B14R1.13 Cc1ccc(CCCC(C)CN)cc1 Amb33739683 [0,2,0,0,0,0|1,0,0]=3 4178 B14R1.13 Cc1ccc(CCCC(C)CO)cc1 Amb33748317 [0,2,0,0,0,0|0,0,0]=2 4179 B14R1.13 Cc1ccc(CCC[C@@H](C)CN)cc1 Amb33744679 [0,2,0,0,0,0|1,0,0]=3 4180 B14R1.13 Cc1ccc(CCC[C@@H](C)CO)cc1 Amb33743092 [0,2,0,0,0,0|0,0,0]=2 4181 B14R1.13 Cc1ccc(CCC[C@H](C)CN)cc1 Amb33739980 [0,2,0,0,0,0|1,0,0]=3 4182 B14R1.13 Cc1ccc(CCC[C@H](C)CO)cc1 Amb33738159 [0,2,0,0,0,0|0,0,0]=2 4183 B14R1.13 Cc1ccc(CCNC(=O)CO)cc1 Amb17401775 [0,2,0,0,0,0|1,0,1]=4 4184 B14R1.13 Cc1ccc(CNC[C@@H](O)CO)cc1 Amb19052375 [0,2,0,0,0,0|1,0,0]=3 4185 B14R1.13 NC(CO)CCCc1ccc(Br)cc1 Amb33006035 [0,2,0,0,0,0|0,0,0]=2 4186 B14R1.13 NC(CO)CCCc1ccc(F)cc1 Amb33319986 [0,2,0,0,0,0|0,0,0]=2 4187 B14R1.13 NC(CO)C\C=C\c1ccc(F)cc1 Amb33326572 [0,2,0,0,0,0|0,0,2]=4 4188 B14R1.13 NCC(O)CCCc1ccc(Br)cc1 Amb18073491 [0,2,0,0,0,0|1,0,0]=3 4189 B14R1.13 NCC(O)CCCc1ccc(F)cc1 Amb18565955 [0,2,0,0,0,0|1,0,0]=3 4190 B14R1.13 Nc1ccc(CSCC(O)CO)cc1 Amb17498545 [0,2,0,0,0,0|1,0,0]=3 4191 B14R1.13 O=C(CO)NCCc1ccc(Br)cc1 Amb17415250 [0,2,0,0,0,0|1,0,1]=4 4192 B14R1.13 O=C(CO)NCCc1ccc(Cl)cc1 Amb1110300 [0,2,0,0,0,0|1,0,1]=4 4193 B14R1.13 O=C(CO)NCCc1ccc(F)cc1 Amb1109713 [0,2,0,0,0,0|1,0,1]=4 4194 B14R1.13 O=C(CO)NCCc1ccc(O)cc1 Amb5798085 [0,2,0,0,0,0|1,0,1]=4 4195 B14R1.13 OC[C@H](O)CNCc1ccc(Br)cc1 Amb33041836 [0,2,0,0,0,0|1,0,0]=3 4196 B14R1.13 OC[C@H](O)CNCc1ccc(Br)nc1 Amb33041932 [0,2,0,0,0,0|2,0,0]=4 4197 B14R1.13 OC[C@H](O)CNCc1ccc(Cl)cc1 Amb33041837 [0,2,0,0,0,0|1,0,0]=3 4198 B14R1.13 OC[C@H](O)CNCc1ccc(Cl)nc1 Amb33041929 [0,2,0,0,0,0|2,0,0]=4 4199 B14R1.13 OC[C@H](O)CNCc1ccc(F)cc1 Amb33041841 [0,2,0,0,0,0|1,0,0]=3 4200 B14R1.13 OC[C@H](O)CNCc1ccc(O)cc1 Amb33041827 [0,2,0,0,0,0|1,0,0]=3 4201 B14R1.14 BrCCCCCOc1ccc(Br)cc1 Amb32412879 [0,2,0,0,0,0|1,0,0]=3 4202 B14R1.14 C=CCCCCOc1ccc(O)cc1 Amb4010402 [0,2,0,0,0,0|1,0,1]=4 4203 B14R1.14 CCCCCC#Cc1ccc(F)cc1 Amb27466498 [0,2,0,0,0,0|1,0,1]=4 4204 B14R1.14 CCCCCCCc1ccc(Br)cc1 Amb2722819 [0,2,0,0,0,0|1,0,0]=3 4205 B14R1.14 CCCCCCCc1ccc(N)cc1 Amb2721128 [0,2,0,0,0,0|1,0,0]=3 4206 B14R1.14 CCCCCCCc1ccc(O)cc1 Amb2779885 [0,2,0,0,0,0|1,0,0]=3 4207 B14R1.14 CCCCCCNc1ccc(Br)cc1 Amb7759753 [0,2,0,0,0,0|1,0,0]=3 4208 B14R1.14 CCCCCCNc1ccc(Br)cn1 Amb22896380 [0,2,0,0,0,0|2,0,0]=4 4209 B14R1.14 CCCCCCNc1ccc(C)cc1 Amb7759787 [0,2,0,0,0,0|1,0,0]=3 4210 B14R1.14 CCCCCCNc1ccc(N)cn1 Amb17042246 [0,2,0,0,0,0|2,0,0]=4 4211 B14R1.14 CCCCCCNc1ccc(N)nc1 Amb17041331 [0,2,0,0,0,0|2,0,0]=4 4212 B14R1.14 CCCCCCOc1ccc(Br)cc1 Amb2721353 [0,2,0,0,0,0|1,0,0]=3 4213 B14R1.14 CCCCCCOc1ccc(C)cc1 Amb32410439 [0,2,0,0,0,0|1,0,0]=3 4214 B14R1.14 CCCCCCOc1ccc(I)cc1 Amb32410438 [0,2,0,0,0,0|1,0,0]=3 4215 B14R1.14 CCCCCCOc1ccc(N)cc1 Amb2189146 [0,2,0,0,0,0|1,0,0]=3 4216 B14R1.14 CCCCCCOc1ccc(N)cn1 Amb7790191 [0,2,0,0,0,0|2,0,0]=4 4217 B14R1.14 CCCCCCOc1ccc(O)cc1 Amb2099510 [0,2,0,0,0,0|1,0,0]=3 4218 B14R1.14 CCCCCCSc1ccc(N)cn1 Amb8932395 [0,2,0,0,0,0|2,0,0]=4 4219 B14R1.14 CCCCCNCc1ccc(Br)cc1 Amb6688061 [0,2,0,0,0,0|1,0,0]=3 4220 B14R1.14 CCCCCNCc1ccc(C)cc1 Amb837629 [0,2,0,0,0,0|1,0,0]=3 4221 B14R1.14 CCCCCNCc1ccc(Cl)cc1 Amb1548620 [0,2,0,0,0,0|1,0,0]=3 4222 B14R1.14 CCCCCNCc1ccc(F)cc1 Amb1657751 [0,2,0,0,0,0|1,0,0]=3 4223 B14R1.14 CCCCCSCc1ccc(N)cc1 Amb17498074 [0,2,0,0,0,0|1,0,0]=3 4224 B14R1.14 CCCCNCCc1ccc(Br)cc1 Amb18053697 [0,2,0,0,0,0|1,0,0]=3 4225 B14R1.14 CCCNCCOc1ccc(Cl)cc1 Amb7761190 [0,2,0,0,0,0|2,0,0]=4 4226 B14R1.14 CCCSCCOc1ccc(N)cc1 Amb9027499 [0,2,0,0,0,0|2,0,0]=4 4227 B14R1.14 CCNCCCOc1ccc(C)cc1 Amb7798163 [0,2,0,0,0,0|2,0,0]=4 4228 B14R1.14 CCNCCCOc1ccc(Cl)cc1 Amb7760992 [0,2,0,0,0,0|2,0,0]=4 4229 B14R1.14 CCNCCCOc1ccc(F)cc1 Amb7760986 [0,2,0,0,0,0|2,0,0]=4 4230 B14R1.14 CCOCCNCc1ccc(Br)cc1 Amb9452611 [0,2,0,0,0,0|2,0,0]=4 4231 B14R1.14 CCOCCNCc1ccc(C)cc1 Amb9241048 [0,2,0,0,0,0|2,0,0]=4 4232 B14R1.14 CCOCCNCc1ccc(Cl)cc1 Amb9240999 [0,2,0,0,0,0|2,0,0]=4 4233 B14R1.14 CCOCCNCc1ccc(F)cc1 Amb9241041 [0,2,0,0,0,0|2,0,0]=4 4234 B14R1.14 CCSCCCOc1ccc(N)cc1 Amb8868276 [0,2,0,0,0,0|2,0,0]=4 4235 B14R1.14 CNCCCCOc1ccc(Cl)cc1 Amb17309033 [0,2,0,0,0,0|2,0,0]=4 4236 B14R1.14 CNCCCNCc1ccc(Br)cc1 Amb22531592 [0,2,0,0,0,0|2,0,0]=4 4237 B14R1.14 CNCCCNCc1ccc(C)cc1 Amb22531516 [0,2,0,0,0,0|2,0,0]=4 4238 B14R1.14 CNCCCNCc1ccc(Cl)cc1 Amb22531518 [0,2,0,0,0,0|2,0,0]=4 4239 B14R1.14 CNCCCNCc1ccc(F)cc1 Amb22335905 [0,2,0,0,0,0|2,0,0]=4 4240 B14R1.14 COCCCCNc1ccc(Br)cn1 Amb33473664 [0,2,0,0,0,0|2,0,0]=4 4241 B14R1.14 COCCCNCc1ccc(Br)cc1 Amb838857 [0,2,0,0,0,0|1,0,0]=3 4242 B14R1.14 COCCCNCc1ccc(C)cc1 Amb2172445 [0,2,0,0,0,0|1,0,0]=3 4243 B14R1.14 COCCCNCc1ccc(C)cc1 Amb875698 [0,2,0,0,0,0|1,0,0]=3 4244 B14R1.14 COCCCNCc1ccc(Cl)cc1 Amb838858 [0,2,0,0,0,0|1,0,0]=3 4245 B14R1.14 COCCCNCc1ccc(Cl)nc1 Amb21988429 [0,2,0,0,0,0|2,0,0]=4 4246 B14R1.14 COCCCNCc1ccc(F)cc1 Amb2172496 [0,2,0,0,0,0|1,0,0]=3 4247 B14R1.14 COCCCNCc1ccc(F)cc1 Amb875745 [0,2,0,0,0,0|1,0,0]=3 4248 B14R1.14 COCCNCCc1ccc(Br)cc1 Amb18053716 [0,2,0,0,0,0|1,0,0]=3 4249 B14R1.14 CSCCCNCc1ccc(C)cc1 Amb6721646 [0,2,0,0,0,0|1,1,0]=4 4250 B14R1.14 CSCCCNCc1ccc(Cl)cc1 Amb6738074 [0,2,0,0,0,0|1,1,0]=4 4251 B14R1.14 CSCCCNCc1ccc(F)cc1 Amb6721197 [0,2,0,0,0,0|1,1,0]=4 4252 B14R1.14 Cc1ccc(CCC#CCCO)cc1 Amb27981844 [0,2,0,0,0,0|0,0,1]=3 4253 B14R1.14 Cc1ccc(CCCNCCN)cc1 Amb18104983 [0,2,0,0,0,0|1,0,0]=3 4254 B14R1.14 Cc1ccc(CCNCCCN)cc1 Amb31094290 [0,2,0,0,0,0|1,0,0]=3 4255 B14R1.14 Cc1ccc(CNCCCCO)cc1 Amb838251 [0,2,0,0,0,0|0,0,0]=2 4256 B14R1.14 Cc1ccc(CSCCCCN)cc1 Amb17500921 [0,2,0,0,0,0|1,0,0]=3 4257 B14R1.14 Cc1ccc(OCCCCC#N)cc1 Amb17210546 [0,2,0,0,0,0|1,0,1]=4 4258 B14R1.14 Cc1ccc(OCCNCCN)cc1 Amb18101903 [0,2,0,0,0,0|2,0,0]=4 4259 B14R1.14 Cc1ccc(OCCOCCO)cc1 Amb19053142 [0,2,0,0,0,0|1,0,0]=3 4260 B14R1.14 N#CCCCCOc1ccc(Br)cc1 Amb32696484 [0,2,0,0,0,0|1,0,1]=4 4261 B14R1.14 N#CCCCCOc1ccc(Cl)cc1 Amb17210548 [0,2,0,0,0,0|1,0,1]=4 4262 B14R1.14 N#CCCNCCc1ccc(F)cc1 Amb9202478 [0,2,0,0,0,0|1,0,1]=4 4263 B14R1.14 NCCCCC#Cc1ccc(Br)cc1 Amb35605470 [0,2,0,0,0,0|1,0,1]=4 4264 B14R1.14 NCCCCCCc1ccc(F)cc1 Amb17236256 [0,2,0,0,0,0|1,0,0]=3 4265 B14R1.14 NCCCCCNc1ccc(Br)cn1 Amb8631389 [0,2,0,0,0,0|2,0,0]=4 4266 B14R1.14 NCCCCCOc1ccc(Br)cc1 Amb17266204 [0,2,0,0,0,0|1,0,0]=3 4267 B14R1.14 NCCCCCOc1ccc(Cl)cc1 Amb17241612 [0,2,0,0,0,0|1,0,0]=3 4268 B14R1.14 NCCCCCOc1ccc(Cl)cc1 Amb32662104 [0,2,0,0,0,0|1,0,0]=3 4269 B14R1.14 NCCCCCOc1ccc(F)cc1 Amb17236620 [0,2,0,0,0,0|1,0,0]=3 4270 B14R1.14 NCCCCCOc1ccc(F)cc1 Amb32662103 [0,2,0,0,0,0|1,0,0]=3 4271 B14R1.14 NCCCCCSc1ccc(F)cc1 Amb22642654 [0,2,0,0,0,0|1,0,0]=3 4272 B14R1.14 NCCCCCSc1ccc(F)cc1 Amb32662135 [0,2,0,0,0,0|1,0,0]=3 4273 B14R1.14 NCCCCSCc1ccc(Br)cc1 Amb17500926 [0,2,0,0,0,0|1,0,0]=3 4274 B14R1.14 NCCCCSCc1ccc(Cl)cc1 Amb17500922 [0,2,0,0,0,0|1,0,0]=3 4275 B14R1.14 NCCCCSCc1ccc(F)cc1 Amb17500925 [0,2,0,0,0,0|1,0,0]=3 4276 B14R1.14 NCCCC\C=C\c1ccc(F)cc1 Amb33201737 [0,2,0,0,0,0|1,0,1]=4 4277 B14R1.14 NCCCNCCc1ccc(Cl)cc1 Amb31094296 [0,2,0,0,0,0|1,0,0]=3 4278 B14R1.14 NCCCNCCc1ccc(F)cc1 Amb17315308 [0,2,0,0,0,0|1,0,0]=3 4279 B14R1.14 NCCCOCCc1ccc(F)cc1 Amb33171520 [0,2,0,0,0,0|1,0,0]=3 4280 B14R1.14 NCCOCCOc1ccc(F)cc1 Amb17051745 [0,2,0,0,0,0|2,0,0]=4 4281 B14R1.14 NCCOCCOc1ccc(F)cc1 Amb32662217 [0,2,0,0,0,0|2,0,0]=4 4282 B14R1.14 NCCOCCSc1ccc(F)cc1 Amb17404434 [0,2,0,0,0,0|2,0,0]=4 4283 B14R1.14 NCCOCCSc1ccc(F)cc1 Amb32410693 [0,2,0,0,0,0|2,0,0]=4 4284 B14R1.14 Nc1ccc(CCNCCCO)cc1 Amb18050943 [0,2,0,0,0,0|0,0,0]=2 4285 B14R1.14 Nc1ccc(NCCCCCO)cn1 Amb17041320 [0,2,0,0,0,0|1,0,0]=3 4286 B14R1.14 Nc1ccc(NCCCCCO)nc1 Amb17041317 [0,2,0,0,0,0|1,0,0]=3 4287 B14R1.14 Nc1ccc(NCCOCCO)cn1 Amb17041323 [0,2,0,0,0,0|2,0,0]=4 4288 B14R1.14 Nc1ccc(NCCOCCO)nc1 Amb17042256 [0,2,0,0,0,0|2,0,0]=4 4289 B14R1.14 O=C=NCCCCc1ccc(Br)cc1 Amb33006014 [0,2,0,0,0,0|0,0,2]=4 4290 B14R1.14 O=C=NCCCCc1ccc(F)cc1 Amb33450077 [0,2,0,0,0,0|0,0,2]=4 4291 B14R1.14 O=CCCCCCc1ccc(F)cc1 Amb33319358 [0,2,0,0,0,0|0,0,1]=3 4292 B14R1.14 OCCCCCOc1ccc(Cl)cc1 Amb2725293 [0,2,0,0,0,0|0,0,0]=2 4293 B14R1.14 OCCCCNCc1ccc(Br)cc1 Amb6857494 [0,2,0,0,0,0|0,0,0]=2 4294 B14R1.14 OCCCCNCc1ccc(Cl)cc1 Amb837848 [0,2,0,0,0,0|0,0,0]=2 4295 B14R1.14 OCCCCNCc1ccc(F)cc1 Amb838124 [0,2,0,0,0,0|0,0,0]=2 4296 B14R1.14 OCCCNCCc1ccc(F)cc1 Amb17317888 [0,2,0,0,0,0|0,0,0]=2 4297 B14R1.14 OCCNCCOc1ccc(Cl)cc1 Amb8565488 [0,2,0,0,0,0|1,0,0]=3 4298 B14R1.14 OCCNCCOc1ccc(F)cc1 Amb8565300 [0,2,0,0,0,0|1,0,0]=3 4299 B14R1.14 OCCNCCSc1ccc(Cl)cc1 Amb8586497 [0,2,0,0,0,0|1,0,0]=3 4300 B14R1.14 OCCOCCNc1ccc(Br)cn1 Amb23618670 [0,2,0,0,0,0|2,0,0]=4 4301 B14R1.14 [N-]=[N+]=NCCCCc1ccc(Br)cc1 Amb33006010 [0,2,0,0,0,0|2,0,0]=4 4302 B14R1.14 [N-]=[N+]=NCCCCc1ccc(F)cc1 Amb33319206 [0,2,0,0,0,0|2,0,0]=4 4303 B14R1.19 C#CCCCC(N)c1ccc(Br)cc1 Amb33744136 [0,2,0,0,0,0|1,0,1]=4 4304 B14R1.19 CC(CCCC=O)c1ccc(F)cc1 Amb33273305 [0,2,0,0,0,0|0,0,2]=4 4305 B14R1.19 CC(CCCCN)c1ccc(F)cc1 Amb18565782 [0,2,0,0,0,0|1,0,0]=3 4306 B14R1.19 CC(NCCCO)c1ccc(Br)cc1 Amb6733615 [0,2,0,0,0,0|1,0,0]=3 4307 B14R1.19 CC(NCCCO)c1ccc(Cl)cc1 Amb6733622 [0,2,0,0,0,0|1,0,0]=3 4308 B14R1.19 CC(NCCCO)c1ccc(I)cc1 Amb9636774 [0,2,0,0,0,0|1,0,0]=3 4309 B14R1.19 CC(OCCCN)c1ccc(F)cc1 Amb33423594 [0,2,0,0,0,0|2,0,0]=4 4310 B14R1.19 CCCCCC(=O)c1ccc(C)cc1 Amb8850977 [0,2,0,0,0,0|1,0,1]=4 4311 B14R1.19 CCCCCC(=O)c1ccc(Cl)cc1 Amb4006911 [0,2,0,0,0,0|1,0,1]=4 4312 B14R1.19 CCCCCC(=O)c1ccc(F)cc1 Amb8849988 [0,2,0,0,0,0|1,0,1]=4 4313 B14R1.19 CCCCCC(N)c1ccc(C)cc1 Amb32662418 [0,2,0,0,0,0|1,0,0]=3 4314 B14R1.19 CCCCCC(N)c1ccc(C)cc1 Amb7786624 [0,2,0,0,0,0|1,0,0]=3 4315 B14R1.19 CCCCCC(N)c1ccc(F)cc1 Amb35745521 [0,2,0,0,0,0|1,0,0]=3 4316 B14R1.19 CCCCCC(N)c1ccc(F)cc1 Amb7786619 [0,2,0,0,0,0|1,0,0]=3 4317 B14R1.19 CCCCNC(C)c1ccc(Br)cc1 Amb6691002 [0,2,0,0,0,0|2,0,0]=4 4318 B14R1.19 CCCCNC(C)c1ccc(Cl)cc1 Amb6691008 [0,2,0,0,0,0|2,0,0]=4 4319 B14R1.19 CCCCNC(C)c1ccc(F)cc1 Amb6691026 [0,2,0,0,0,0|2,0,0]=4 4320 B14R1.19 COCCCC(N)c1ccc(Br)cc1 Amb19375166 [0,2,0,0,0,0|2,0,0]=4 4321 B14R1.19 Cc1ccc(C(=O)CCCCCl)cc1 Amb6302028 [0,2,0,0,0,0|1,0,1]=4 4322 B14R1.19 Cc1ccc(C(=O)CSCCO)cc1 Amb9217685 [0,2,0,0,0,0|1,0,1]=4 4323 B14R1.19 Cc1ccc(C(=O)NCCCO)cc1 Amb9243506 [0,2,0,0,0,0|1,0,1]=4 4324 B14R1.19 Cc1ccc(C(C)NCCCO)cc1 Amb6733617 [0,2,0,0,0,0|1,0,0]=3 4325 B14R1.19 Cc1ccc(C(O)CNCCO)cc1 Amb18093116 [0,2,0,0,0,0|1,0,0]=3 4326 B14R1.19 Nc1ccc(C(=O)CNCCO)cc1 Amb18550888 [0,2,0,0,0,0|1,0,1]=4 4327 B14R1.19 Nc1ccc(C(=O)NCCCO)cc1 Amb4057722 [0,2,0,0,0,0|1,0,1]=4 4328 B14R1.19 O=C(CCCCCl)c1ccc(Cl)cc1 Amb6301858 [0,2,0,0,0,0|1,0,1]=4 4329 B14R1.19 O=C(CCCCCl)c1ccc(F)cc1 Amb6301797 [0,2,0,0,0,0|1,0,1]=4 4330 B14R1.19 O=C(CCCCCl)c1ccc(I)cc1 Amb6301869 [0,2,0,0,0,0|1,0,1]=4 4331 B14R1.19 O=C(CSCCO)c1ccc(Br)cc1 Amb8129917 [0,2,0,0,0,0|1,0,1]=4 4332 B14R1.19 O=C(CSCCO)c1ccc(Cl)cc1 Amb9668366 [0,2,0,0,0,0|1,0,1]=4 4333 B14R1.19 O=C(CSCCO)c1ccc(F)cc1 Amb9668367 [0,2,0,0,0,0|1,0,1]=4 4334 B14R1.19 O=C(CSCCO)c1ccc(I)cc1 Amb9668353 [0,2,0,0,0,0|1,0,1]=4 4335 B14R1.19 O=C(CSCCO)c1ccc(O)cc1 Amb9229540 [0,2,0,0,0,0|1,0,1]=4 4336 B14R1.19 O=C(NCCCO)c1ccc(Br)cc1 Amb5799026 [0,2,0,0,0,0|1,0,1]=4 4337 B14R1.19 O=C(NCCCO)c1ccc(Cl)cc1 Amb5798880 [0,2,0,0,0,0|1,0,1]=4 4338 B14R1.19 O=C(NCCCO)c1ccc(F)cc1 Amb5798912 [0,2,0,0,0,0|1,0,1]=4 4339 B14R1.19 OCCNCC(O)c1ccc(Br)cc1 Amb18604991 [0,2,0,0,0,0|1,0,0]=3 4340 B14R1.19 OCCNCC(O)c1ccc(Cl)cc1 Amb17602660 [0,2,0,0,0,0|1,0,0]=3 4341 B14R1.33 C#CCCC(O)Cc1ccc(F)cc1 Amb33744129 [0,2,0,0,0,0|1,0,1]=4 4342 B14R1.33 CC(CCCO)Nc1ccc(Cl)cc1 Amb21984580 [0,2,0,0,0,0|1,0,0]=3 4343 B14R1.33 CC(CCCO)Nc1ccc(F)cc1 Amb21984573 [0,2,0,0,0,0|1,0,0]=3 4344 B14R1.33 CC(Cc1ccc(N)cc1)NCCO Amb18550311 [0,2,0,0,0,0|1,0,0]=3 4345 B14R1.33 CCCCC(N)Cc1ccc(Br)cc1 Amb18049675 [0,2,0,0,0,0|1,0,0]=3 4346 B14R1.33 CCCCN(C)Cc1ccc(N)cc1 Amb6249324 [0,2,0,0,0,0|2,0,0]=4 4347 B14R1.33 CCCCN(C)Cc1ccc(O)cc1 Amb10815491 [0,2,0,0,0,0|2,0,0]=4 4348 B14R1.33 CCCCS(=O)Cc1ccc(Br)cc1 Amb21856691 [0,2,0,0,0,0|2,0,0]=4 4349 B14R1.33 CCCNC(C)Cc1ccc(N)cc1 Amb18050881 [0,2,0,0,0,0|2,0,0]=4 4350 B14R1.33 CN(CCCN)Cc1ccc(Br)cc1 Amb31172766 [0,2,0,0,0,0|2,0,0]=4 4351 B14R1.33 CN(CCCN)Cc1ccc(Cl)cc1 Amb17339916 [0,2,0,0,0,0|2,0,0]=4 4352 B14R1.33 CN(CCCN)Cc1ccc(F)cc1 Amb6670570 [0,2,0,0,0,0|2,0,0]=4 4353 B14R1.33 Cc1ccc(CN(C)CCCN)cc1 Amb6670568 [0,2,0,0,0,0|2,0,0]=4 4354 B14R1.33 Cc1ccc(NC(=O)CCCO)cc1 Amb17235618 [0,2,0,0,0,0|1,0,1]=4 4355 B14R1.33 Cc1ccc(NC(C)CCCO)cc1 Amb21984576 [0,2,0,0,0,0|1,0,0]=3 4356 B14R1.33 Nc1ccc(CC(=O)NCCO)cc1 Amb13951851 [0,2,0,0,0,0|1,0,1]=4 4357 B14R1.33 Nc1ccc(CC(=O)NCCO)cc1 Amb8997242 [0,2,0,0,0,0|1,0,1]=4 4358 B14R1.33 O=C(CCCO)Nc1ccc(Br)cc1 Amb17266144 [0,2,0,0,0,0|1,0,1]=4 4359 B14R1.33 O=C(CCCO)Nc1ccc(Cl)cc1 Amb17241542 [0,2,0,0,0,0|1,0,1]=4 4360 B14R1.33 O=C(CCCO)Nc1ccc(F)cc1 Amb17236546 [0,2,0,0,0,0|1,0,1]=4 4361 B14R1.33 O=C(CCCO)Nc1ccc(I)cc1 Amb27874989 [0,2,0,0,0,0|1,0,1]=4 4362 B14R1.33 O=C(Cc1ccc(Br)cc1)NCCO Amb9242379 [0,2,0,0,0,0|1,0,1]=4 4363 B14R1.33 O=C(Cc1ccc(Cl)cc1)NCCO Amb9242317 [0,2,0,0,0,0|1,0,1]=4 4364 B14R1.33 O=C(Cc1ccc(F)cc1)NCCO Amb9242331 [0,2,0,0,0,0|1,0,1]=4 4365 B14R1.33 O=C(Cc1ccc(O)cc1)NCCO Amb9247037 [0,2,0,0,0,0|1,0,1]=4 4366 B14R1.502 C=C(CCN)CCc1ccc(Br)cc1 Amb33006006 [0,2,0,0,0,0|1,0,1]=4 4367 B14R1.502 C=C(CCN)CCc1ccc(F)cc1 Amb33319353 [0,2,0,0,0,0|1,0,1]=4 4368 B14R1.502 CC(CCN)CCc1ccc(Br)cc1 Amb33009463 [0,2,0,0,0,0|1,0,0]=3 4369 B14R1.502 CC(CCN)CCc1ccc(F)cc1 Amb33474117 [0,2,0,0,0,0|1,0,0]=3 4370 B14R1.502 CC(CCc1ccc(Br)cc1)CON Amb33006274 [0,2,0,0,0,0|2,0,0]=4 4371 B14R1.502 CC(CCc1ccc(F)cc1)CON Amb33319702 [0,2,0,0,0,0|2,0,0]=4 4372 B14R1.502 CN(CCN)CCc1ccc(Cl)cc1 Amb17339917 [0,2,0,0,0,0|2,0,0]=4 4373 B14R1.502 CN(CCN)CCc1ccc(F)cc1 Amb17337116 [0,2,0,0,0,0|2,0,0]=4 4374 B14R1.502 CN(CCO)CCc1ccc(Cl)cc1 Amb17340149 [0,2,0,0,0,0|1,0,0]=3 4375 B14R1.502 CN(CCO)CCc1ccc(F)cc1 Amb17337206 [0,2,0,0,0,0|1,0,0]=3 4376 B14R1.502 CN(CCO)CCc1ccc(N)cc1 Amb17227684 [0,2,0,0,0,0|1,0,0]=3 4377 B14R1.502 CNCC(O)CCc1ccc(Br)cc1 Amb33007879 [0,2,0,0,0,0|2,0,0]=4 4378 B14R1.502 CNCC(O)CCc1ccc(F)cc1 Amb33321251 [0,2,0,0,0,0|2,0,0]=4 4379 B14R1.502 Cc1ccc(CCC(O)CC#N)cc1 Amb17234679 [0,2,0,0,0,0|1,0,1]=4 4380 B14R1.502 Cc1ccc(CCN(C)CCN)cc1 Amb31172750 [0,2,0,0,0,0|2,0,0]=4 4381 B14R1.502 Cc1ccc(CCN(C)CCO)cc1 Amb31172826 [0,2,0,0,0,0|1,0,0]=3 4382 B14R1.502 Cc1ccc(CNC(=O)CCO)cc1 Amb17336605 [0,2,0,0,0,0|1,0,1]=4 4383 B14R1.502 N#CCC(O)CCc1ccc(Br)cc1 Amb17263741 [0,2,0,0,0,0|1,0,1]=4 4384 B14R1.502 N#CCC(O)CCc1ccc(Cl)cc1 Amb17240446 [0,2,0,0,0,0|1,0,1]=4 4385 B14R1.502 N#CCC(O)CCc1ccc(F)cc1 Amb17235575 [0,2,0,0,0,0|1,0,1]=4 4386 B14R1.502 NC(CCO)CCc1ccc(Br)cc1 Amb33006017 [0,2,0,0,0,0|0,0,0]=2 4387 B14R1.502 NC(CCO)CCc1ccc(F)cc1 Amb33320036 [0,2,0,0,0,0|0,0,0]=2 4388 B14R1.502 NC(\C=C\c1ccc(F)cc1)CCO Amb33326909 [0,2,0,0,0,0|0,0,2]=4 4389 B14R1.502 NCCC(=O)CCc1ccc(Br)cc1 Amb33006011 [0,2,0,0,0,0|1,0,1]=4 4390 B14R1.502 NCCC(=O)CCc1ccc(F)cc1 Amb18565697 [0,2,0,0,0,0|1,0,1]=4 4391 B14R1.502 NCCC(F)CCc1ccc(Br)cc1 Amb33006272 [0,2,0,0,0,0|1,0,0]=3 4392 B14R1.502 NCCC(F)CCc1ccc(F)cc1 Amb33319707 [0,2,0,0,0,0|1,0,0]=3 4393 B14R1.502 NCCC(O)CCc1ccc(Br)cc1 Amb17266171 [0,2,0,0,0,0|1,0,0]=3 4394 B14R1.502 NCCC(O)CCc1ccc(F)cc1 Amb17236590 [0,2,0,0,0,0|1,0,0]=3 4395 B14R1.502 NCC[C@@H](O)CCc1ccc(Br)cc1 Amb33482234 [0,2,0,0,0,0|1,0,0]=3 4396 B14R1.502 NCC[C@@H](O)CCc1ccc(F)cc1 Amb33320669 [0,2,0,0,0,0|1,0,0]=3 4397 B14R1.502 NCC[C@H](O)CCc1ccc(Br)cc1 Amb33006037 [0,2,0,0,0,0|1,0,0]=3 4398 B14R1.502 NCC[C@H](O)CCc1ccc(F)cc1 Amb33320668 [0,2,0,0,0,0|1,0,0]=3 4399 B14R1.677 CC(=O)CCCCc1ccc(Br)cc1 Amb17264251 [0,2,0,0,0,0|0,0,2]=4 4400 B14R1.677 CC(=O)CCCCc1ccc(F)cc1 Amb17235953 [0,2,0,0,0,0|0,0,2]=4 4401 B14R1.677 CC(C)CCNCc1ccc(Br)cc1 Amb875709 [0,2,0,0,0,0|2,0,0]=4 4402 B14R1.677 CC(C)CCNCc1ccc(Cl)cc1 Amb875706 [0,2,0,0,0,0|2,0,0]=4 4403 B14R1.677 CC(C)CCNCc1ccc(F)cc1 Amb875746 [0,2,0,0,0,0|2,0,0]=4 4404 B14R1.677 CC(C)CCSCc1ccc(N)cc1 Amb17498252 [0,2,0,0,0,0|2,0,0]=4 4405 B14R1.677 CC(C)CNCCc1ccc(Cl)cc1 Amb6723760 [0,2,0,0,0,0|2,0,0]=4 4406 B14R1.677 CC(C)CNCCc1ccc(F)cc1 Amb6689378 [0,2,0,0,0,0|2,0,0]=4 4407 B14R1.677 CC(C)CNCCc1ccc(O)cc1 Amb15694902 [0,2,0,0,0,0|2,0,0]=4 4408 B14R1.677 CC(Cl)CNCCc1ccc(Cl)cc1 Amb21856163 [0,2,0,0,0,0|2,0,0]=4 4409 B14R1.677 CC(Cl)CNCCc1ccc(Cl)cc1 Amb22277116 [0,2,0,0,0,0|2,0,0]=4 4410 B14R1.677 CC(N)CCCCc1ccc(Br)cc1 Amb33006393 [0,2,0,0,0,0|1,0,0]=3 4411 B14R1.677 CC(N)CCCCc1ccc(F)cc1 Amb33319693 [0,2,0,0,0,0|1,0,0]=3 4412 B14R1.677 CC(O)CCCCc1ccc(Br)cc1 Amb33006028 [0,2,0,0,0,0|0,0,0]=2 4413 B14R1.677 CC(O)CCCCc1ccc(F)cc1 Amb33319663 [0,2,0,0,0,0|0,0,0]=2 4414 B14R1.677 CC(O)CCNCc1ccc(Br)cc1 Amb33496522 [0,2,0,0,0,0|1,0,0]=3 4415 B14R1.677 CC(O)CCNCc1ccc(Cl)cc1 Amb33496490 [0,2,0,0,0,0|1,0,0]=3 4416 B14R1.677 CC(O)CCNCc1ccc(F)cc1 Amb33496505 [0,2,0,0,0,0|1,0,0]=3 4417 B14R1.677 CC(O)CC\C=C\c1ccc(F)cc1 Amb33202736 [0,2,0,0,0,0|0,0,2]=4 4418 B14R1.677 CC(O)CNCCc1ccc(Cl)cc1 Amb21856162 [0,2,0,0,0,0|1,0,0]=3 4419 B14R1.677 CC(O)CNCCc1ccc(Cl)cc1 Amb33718685 [0,2,0,0,0,0|1,0,0]=3 4420 B14R1.677 CC(O)CNCCc1ccc(N)cc1 Amb18050063 [0,2,0,0,0,0|1,0,0]=3 4421 B14R1.677 C[C@@H](N)CCCCc1ccc(Br)cc1 Amb33006038 [0,2,0,0,0,0|1,0,0]=3 4422 B14R1.677 C[C@@H](N)CCCCc1ccc(F)cc1 Amb33319660 [0,2,0,0,0,0|1,0,0]=3 4423 B14R1.677 C[C@@H](O)CCCCc1ccc(Br)cc1 Amb33006036 [0,2,0,0,0,0|0,0,0]=2 4424 B14R1.677 C[C@@H](O)CCCCc1ccc(F)cc1 Amb33319661 [0,2,0,0,0,0|0,0,0]=2 4425 B14R1.677 C[C@@H](O)CC\C=C\c1ccc(F)cc1 Amb33202734 [0,2,0,0,0,0|0,0,2]=4 4426 B14R1.677 C[C@H](N)CCCCc1ccc(Br)cc1 Amb33006039 [0,2,0,0,0,0|1,0,0]=3 4427 B14R1.677 C[C@H](N)CCCCc1ccc(F)cc1 Amb33319659 [0,2,0,0,0,0|1,0,0]=3 4428 B14R1.677 C[C@H](O)CCCCc1ccc(Br)cc1 Amb33006032 [0,2,0,0,0,0|0,0,0]=2 4429 B14R1.677 C[C@H](O)CCCCc1ccc(F)cc1 Amb33319662 [0,2,0,0,0,0|0,0,0]=2 4430 B14R1.677 C[C@H](O)CC\C=C\c1ccc(F)cc1 Amb33202735 [0,2,0,0,0,0|0,0,2]=4 4431 B14R1.677 Cc1ccc(CCCCC(=O)O)cc1 Amb5739973 [0,2,0,0,0,0|0,0,1]=3 4432 B14R1.677 Cc1ccc(CCOCC(=O)O)cc1 Amb17065886 [0,2,0,0,0,0|1,0,1]=4 4433 B14R1.677 Cc1ccc(CCSCC(=O)O)cc1 Amb17065871 [0,2,0,0,0,0|1,0,1]=4 4434 B14R1.677 Cc1ccc(CNCCC(=O)O)cc1 Amb7755667 [0,2,0,0,0,0|1,0,1]=4 4435 B14R1.677 Cc1ccc(CNCCC(C)C)cc1 Amb875699 [0,2,0,0,0,0|2,0,0]=4 4436 B14R1.677 Cc1ccc(CNCCC(C)O)cc1 Amb33496470 [0,2,0,0,0,0|1,0,0]=3 4437 B14R1.677 Cc1ccc(CSCCC(=O)O)cc1 Amb6275781 [0,2,0,0,0,0|1,0,1]=4 4438 B14R1.677 Cc1ccc(OCCCC(=O)O)cc1 Amb1204762 [0,2,0,0,0,0|1,0,1]=4 4439 B14R1.677 Cc1ccc(SCCCC(=O)O)cc1 Amb6250329 [0,2,0,0,0,0|1,0,1]=4 4440 B14R1.677 NC(=O)CCCCc1ccc(F)cc1 Amb28653432 [0,2,0,0,0,0|0,0,2]=4 4441 B14R1.677 Nc1ccc(CSCCC(=O)O)cc1 Amb17498383 [0,2,0,0,0,0|1,0,1]=4 4442 B14R1.677 Nc1ccc(NCCCC(=O)O)cc1 Amb19374547 [0,2,0,0,0,0|1,0,1]=4 4443 B14R1.677 Nc1ccc(OCCCC(=O)O)cc1 Amb8470923 [0,2,0,0,0,0|1,0,1]=4 4444 B14R1.677 O=C(Cl)CCCCc1ccc(F)cc1 Amb5739998 [0,2,0,0,0,0|0,0,2]=4 4445 B14R1.677 O=C(O)CCCCc1ccc(Br)cc1 Amb5739981 [0,2,0,0,0,0|0,0,1]=3 4446 B14R1.677 O=C(O)CCCCc1ccc(Cl)cc1 Amb5739980 [0,2,0,0,0,0|0,0,1]=3 4447 B14R1.677 O=C(O)CCCCc1ccc(F)cc1 Amb2688400 [0,2,0,0,0,0|0,0,1]=3 4448 B14R1.677 O=C(O)CCCCc1ccc(I)cc1 Amb7770315 [0,2,0,0,0,0|0,0,1]=3 4449 B14R1.677 O=C(O)CCCCc1ccc(O)cc1 Amb6357606 [0,2,0,0,0,0|0,0,1]=3 4450 B14R1.677 O=C(O)CCCNc1ccc(I)cc1 Amb7785115 [0,2,0,0,0,0|1,0,1]=4 4451 B14R1.677 O=C(O)CCCOc1ccc(Br)cc1 Amb15374 [0,2,0,0,0,0|1,0,1]=4 4452 B14R1.677 O=C(O)CCCOc1ccc(Cl)cc1 Amb1950628 [0,2,0,0,0,0|1,0,1]=4 4453 B14R1.677 O=C(O)CCCOc1ccc(F)cc1 Amb6662832 [0,2,0,0,0,0|1,0,1]=4 4454 B14R1.677 O=C(O)CCCOc1ccc(I)cc1 Amb8838528 [0,2,0,0,0,0|1,0,1]=4 4455 B14R1.677 O=C(O)CCCSc1ccc(Br)cc1 Amb5779473 [0,2,0,0,0,0|1,0,1]=4 4456 B14R1.677 O=C(O)CCCSc1ccc(Cl)cc1 Amb1102903 [0,2,0,0,0,0|1,0,1]=4 4457 B14R1.677 O=C(O)CCCSc1ccc(F)cc1 Amb6243753 [0,2,0,0,0,0|1,0,1]=4 4458 B14R1.677 O=C(O)CCNCc1ccc(Br)cc1 Amb8831944 [0,2,0,0,0,0|1,0,1]=4 4459 B14R1.677 O=C(O)CCNCc1ccc(Cl)cc1 Amb1110486 [0,2,0,0,0,0|1,0,1]=4 4460 B14R1.677 O=C(O)CCNCc1ccc(Cl)cc1 Amb33552192 [0,2,0,0,0,0|1,0,1]=4 4461 B14R1.677 O=C(O)CCNCc1ccc(F)cc1 Amb10187378 [0,2,0,0,0,0|1,0,1]=4 4462 B14R1.677 O=C(O)CCNCc1ccc(F)cc1 Amb1109654 [0,2,0,0,0,0|1,0,1]=4 4463 B14R1.677 O=C(O)CCSCc1ccc(Cl)cc1 Amb6277653 [0,2,0,0,0,0|1,0,1]=4 4464 B14R1.677 O=C(O)CCSCc1ccc(F)cc1 Amb6261702 [0,2,0,0,0,0|1,0,1]=4 4465 B14R1.677 O=C(O)COCCc1ccc(Br)cc1 Amb17065893 [0,2,0,0,0,0|1,0,1]=4 4466 B14R1.677 O=C(O)COCCc1ccc(Cl)cc1 Amb17065894 [0,2,0,0,0,0|1,0,1]=4 4467 B14R1.677 O=C(O)COCCc1ccc(F)cc1 Amb17470972 [0,2,0,0,0,0|1,0,1]=4 4468 B14R1.677 O=C(O)CSCCc1ccc(F)cc1 Amb17065879 [0,2,0,0,0,0|1,0,1]=4 4469 B14R1.677 O=C([O-])CCCCc1ccc(F)cc1 Amb33513289 [0,2,0,0,0,0|0,0,2]=4 4470 B14R1.677 O=C1C=CN(CCCCC(=O)O)C=C1 Amb18029470 [0,2,0,0,0,0|1,0,1]=4 4471 B14R1.677 O=[N+]([O-])CCCCc1ccc(Br)cc1 Amb33006040 [0,2,0,0,0,0|1,0,1]=4 4472 B14R1.677 O=[N+]([O-])CCCCc1ccc(F)cc1 Amb33319638 [0,2,0,0,0,0|1,0,1]=4 4473 B14R1.774 CCCCCCc1ccc(O)cc1O Amb534214 [0,2,0,0,0,0|1,0,0]=3 4474 B14R1.774 CCCCCNc1ccc(Cl)cc1C Amb6656621 [0,2,0,0,0,0|2,0,0]=4 4475 B14R1.774 CCCCNCc1ccc(Br)cc1Cl Amb33044407 [0,2,0,0,0,0|2,0,0]=4 4476 B14R1.774 CCCCNCc1ccc(C)cc1Br Amb33442034 [0,2,0,0,0,0|2,0,0]=4 4477 B14R1.774 CCCCNCc1ccc(C)cc1C Amb6690941 [0,2,0,0,0,0|2,0,0]=4 4478 B14R1.774 CCCCNCc1ccc(Cl)cc1Cl Amb19890319 [0,2,0,0,0,0|2,0,0]=4 4479 B14R1.774 CCCCNCc1ccc(Cl)cc1Cl Amb6642100 [0,2,0,0,0,0|2,0,0]=4 4480 B14R1.774 CCCCNCc1ccc(F)cc1C Amb19052693 [0,2,0,0,0,0|2,0,0]=4 4481 B14R1.774 CCCCNCc1ccc(F)cc1F Amb6690953 [0,2,0,0,0,0|2,0,0]=4 4482 B14R1.774 Cc1cc(F)ccc1CNCCCO Amb19054333 [0,2,0,0,0,0|1,0,0]=3 4483 B14R1.774 Cc1ccc(CCCCC#N)c(C)c1 Amb18863278 [0,2,0,0,0,0|1,0,1]=4 4484 B14R1.774 Cc1ccc(CCCCC=O)c(C)c1 Amb18549434 [0,2,0,0,0,0|0,0,2]=4 4485 B14R1.774 Cc1ccc(CNCCCO)c(Br)c1 Amb33442036 [0,2,0,0,0,0|1,0,0]=3 4486 B14R1.774 Cc1ccc(CNCCCO)c(C)c1 Amb6733547 [0,2,0,0,0,0|1,0,0]=3 4487 B14R1.774 Cc1ccc(NCCCCO)c(C)c1 Amb6336189 [0,2,0,0,0,0|1,0,0]=3 4488 B14R1.774 Clc1ccc(OCCCCBr)c(Cl)c1 Amb8517121 [0,2,0,0,0,0|2,0,0]=4 4489 B14R1.774 N#CCCCCc1ccc(F)cc1F Amb18863973 [0,2,0,0,0,0|1,0,1]=4 4490 B14R1.774 NCCCCOc1ccc(F)cc1F Amb32662406 [0,2,0,0,0,0|2,0,0]=4 4491 B14R1.774 NCCCCOc1ccc(F)cc1F Amb6248144 [0,2,0,0,0,0|2,0,0]=4 4492 B14R1.774 NCCCNCc1ccc(F)cc1Cl Amb9173947 [0,2,0,0,0,0|2,0,0]=4 4493 B14R1.774 NCCCSCc1ccc(Cl)cc1Cl Amb17500681 [0,2,0,0,0,0|2,0,0]=4 4494 B14R1.774 O=CCCCCc1ccc(Cl)cc1Cl Amb18549432 [0,2,0,0,0,0|0,0,2]=4 4495 B14R1.774 OCCCC#Cc1ccc(F)cc1F Amb27182781 [0,2,0,0,0,0|0,0,2]=4 4496 B14R1.774 OCCCNCc1ccc(Br)cc1Cl Amb33363130 [0,2,0,0,0,0|1,0,0]=3 4497 B14R1.774 OCCCNCc1ccc(Cl)cc1Br Amb33441955 [0,2,0,0,0,0|1,0,0]=3 4498 B14R1.774 OCCCNCc1ccc(Cl)cc1Cl Amb6733593 [0,2,0,0,0,0|1,0,0]=3 4499 B14R1.774 OCCCNCc1ccc(F)cc1F Amb6733560 [0,2,0,0,0,0|1,0,0]=3 4500 B14R1.776 C#Cc1ccc(CCCCCC)cc1 Amb2722838 [0,2,0,0,0,0|1,0,0]=3 4501 B14R1.776 C#Cc1ccc(OCCCCC)cc1 Amb2722833 [0,2,0,0,0,0|2,0,0]=4 4502 B14R1.776 CCCCCCc1ccc(C=O)cc1 Amb9786820 [0,2,0,0,0,0|1,0,0]=3 4503 B14R1.776 CCCCCCc1ccc(NN)cc1 Amb2691321 [0,2,0,0,0,0|1,0,0]=3 4504 B14R1.776 CCCCCCc1ccc(NN)cc1 Amb8629168 [0,2,0,0,0,0|1,0,0]=3 4505 B14R1.776 CCCCCNc1ccc(C#N)cc1 Amb6679385 [0,2,0,0,0,0|2,0,0]=4 4506 B14R1.776 CCCCCNc1ccc(OC)cc1 Amb6714187 [0,2,0,0,0,0|2,0,0]=4 4507 B14R1.776 CCCCCOc1ccc(C#N)cc1 Amb5761235 [0,2,0,0,0,0|2,0,0]=4 4508 B14R1.776 CCCCCOc1ccc(C=O)cc1 Amb1209683 [0,2,0,0,0,0|2,0,0]=4 4509 B14R1.776 CCCCCOc1ccc(CN)cc1 Amb4079369 [0,2,0,0,0,0|2,0,0]=4 4510 B14R1.776 CCCCCOc1ccc(CO)cc1 Amb6705889 [0,2,0,0,0,0|2,0,0]=4 4511 B14R1.776 CCCCCOc1ccc(CS)cc1 Amb32788165 [0,2,0,0,0,0|2,0,0]=4 4512 B14R1.776 CCCCNCc1ccc(C#N)cc1 Amb6691036 [0,2,0,0,0,0|2,0,0]=4 4513 B14R1.776 CCCCNCc1ccc(CC)cc1 Amb19890369 [0,2,0,0,0,0|2,0,0]=4 4514 B14R1.776 CCCCNCc1ccc(CC)cc1 Amb6690965 [0,2,0,0,0,0|2,0,0]=4 4515 B14R1.776 CCCCNCc1ccc(OC)cc1 Amb19890371 [0,2,0,0,0,0|2,0,0]=4 4516 B14R1.776 CCCCNCc1ccc(OC)cc1 Amb838823 [0,2,0,0,0,0|2,0,0]=4 4517 B14R1.776 CCCCNCc1ccc(SC)cc1 Amb19892216 [0,2,0,0,0,0|2,0,0]=4 4518 B14R1.776 CCCCNCc1ccc(SC)cc1 Amb6720363 [0,2,0,0,0,0|2,0,0]=4 4519 B14R1.776 CCCNCCc1ccc(OC)cc1 Amb6691269 [0,2,0,0,0,0|2,0,0]=4 4520 B14R1.776 CCc1ccc(CCCCC=O)cc1 Amb18050043 [0,2,0,0,0,0|0,0,2]=4 4521 B14R1.776 CCc1ccc(CNCCCO)cc1 Amb838158 [0,2,0,0,0,0|1,0,0]=3 4522 B14R1.776 COc1ccc(CCC#CCO)cc1 Amb28188239 [0,2,0,0,0,0|0,0,2]=4 4523 B14R1.776 COc1ccc(CCCCC=O)cc1 Amb18549441 [0,2,0,0,0,0|0,0,2]=4 4524 B14R1.776 COc1ccc(CCCCCBr)cc1 Amb2685306 [0,2,0,0,0,0|1,0,0]=3 4525 B14R1.776 COc1ccc(CCNCCN)cc1 Amb17091036 [0,2,0,0,0,0|2,0,0]=4 4526 B14R1.776 COc1ccc(CCNCCO)cc1 Amb6709724 [0,2,0,0,0,0|1,0,0]=3 4527 B14R1.776 COc1ccc(CNCCCN)cc1 Amb17772969 [0,2,0,0,0,0|2,0,0]=4 4528 B14R1.776 COc1ccc(CNCCCO)cc1 Amb22586766 [0,2,0,0,0,0|1,0,0]=3 4529 B14R1.776 COc1ccc(CNCCCO)cc1 Amb6733558 [0,2,0,0,0,0|1,0,0]=3 4530 B14R1.776 COc1ccc(COCCCN)cc1 Amb6701618 [0,2,0,0,0,0|2,0,0]=4 4531 B14R1.776 COc1ccc(COCCCO)cc1 Amb10608909 [0,2,0,0,0,0|1,0,0]=3 4532 B14R1.776 COc1ccc(CSCCCO)cc1 Amb17615803 [0,2,0,0,0,0|1,0,0]=3 4533 B14R1.776 COc1ccc(NCCCCO)cc1 Amb4313853 [0,2,0,0,0,0|1,0,0]=3 4534 B14R1.776 COc1ccc(OCCCCO)cc1 Amb9370694 [0,2,0,0,0,0|1,0,0]=3 4535 B14R1.776 CSc1ccc(C#CCCCO)cc1 Amb28204221 [0,2,0,0,0,0|0,0,2]=4 4536 B14R1.776 CSc1ccc(CNCCCO)cc1 Amb6733784 [0,2,0,0,0,0|1,0,0]=3 4537 B14R1.776 N#Cc1ccc(C#CCCCO)cc1 Amb27751840 [0,2,0,0,0,0|0,0,2]=4 4538 B14R1.776 N#Cc1ccc(CNCCCO)cc1 Amb6733650 [0,2,0,0,0,0|1,0,0]=3 4539 B14R1.776 N#Cc1ccc(CSCCCN)cc1 Amb17500711 [0,2,0,0,0,0|2,0,0]=4 4540 B14R1.776 N#Cc1ccc(NCCCCO)cn1 Amb33189810 [0,2,0,0,0,0|2,0,0]=4 4541 B14R1.776 N#Cc1ccc(OCCCCBr)cc1 Amb8855416 [0,2,0,0,0,0|2,0,0]=4 4542 B14R1.776 N#Cc1ccc(OCCCCN)cc1 Amb17562030 [0,2,0,0,0,0|2,0,0]=4 4543 B14R1.776 NCc1ccc(OCCCCBr)cc1 Amb32696480 [0,2,0,0,0,0|2,0,0]=4 4544 B14R1.776 O=Cc1ccc(OCCCCBr)cc1 Amb15741078 [0,2,0,0,0,0|2,0,0]=4 4545 B14R1.776 OCCCNCc1ccc(CO)cc1 Amb32420665 [0,2,0,0,0,0|1,0,0]=3 4546 B14R1.29 CC(NC(=O)CCO)c1ccccc1 Amb17336606 [0,2,0,0,0,0|1,0,1]=4 4547 B14R1.29 CN(CCCl)CC(Cl)c1ccccc1 Amb8395790 [0,2,0,0,0,0|2,0,0]=4 4548 B14R1.38 C=CCNCCC(C)c1ccccc1 Amb19072627 [0,2,0,0,0,0|1,0,1]=4 4549 B14R1.38 C=CCNCCC(C)c1ccccc1 Amb19892807 [0,2,0,0,0,0|1,0,1]=4 4550 B14R1.38 CC(SCCCCN)c1ccccc1 Amb17500945 [0,2,0,0,0,0|1,0,0]=3 4551 B14R1.38 CCCC#CCC(O)c1ccccc1 Amb27478615 [0,2,0,0,0,0|1,0,1]=4 4552 B14R1.38 CCCCC#C[C@@H](N)c1ccccc1 Amb27241009 [0,2,0,0,0,0|1,0,1]=4 4553 B14R1.38 CCCCC#C[C@@H](O)c1ccccc1 Amb28189389 [0,2,0,0,0,0|1,0,1]=4 4554 B14R1.38 CCCCCCC(=O)c1ccccc1 Amb6609017 [0,2,0,0,0,0|1,0,0]=3 4555 B14R1.38 CCCCCCC(=O)c1ccccn1 Amb533043 [0,2,0,0,0,0|2,0,0]=4 4556 B14R1.38 CCCCCCC(=O)c1cccnc1 Amb19073455 [0,2,0,0,0,0|2,0,0]=4 4557 B14R1.38 CCCCCCC(=O)c1ccncc1 Amb19073474 [0,2,0,0,0,0|2,0,0]=4 4558 B14R1.38 CCCCCNC(C)c1ccccc1 Amb6688105 [0,2,0,0,0,0|1,0,0]=3 4559 B14R1.38 CCCCCNC(C)c1ccccn1 Amb6688117 [0,2,0,0,0,0|2,0,0]=4 4560 B14R1.38 CCCCCNC(C)c1cccnc1 Amb6688119 [0,2,0,0,0,0|2,0,0]=4 4561 B14R1.38 CCCCCNC(C)c1ccncc1 Amb6688118 [0,2,0,0,0,0|2,0,0]=4 4562 B14R1.38 CCCCCOC(=O)c1ccccc1 Amb6357325 [0,2,0,0,0,0|1,0,1]=4 4563 B14R1.38 CCCCNCC(C)c1ccccc1 Amb2119259 [0,2,0,0,0,0|1,0,0]=3 4564 B14R1.38 CCCCNCC(C)c1ccccc1 Amb6729197 [0,2,0,0,0,0|1,0,0]=3 4565 B14R1.38 CCCCNCC(O)c1ccccc1 Amb9242095 [0,2,0,0,0,0|1,0,0]=3 4566 B14R1.38 CCCCSCC(=O)c1ccccc1 Amb9667920 [0,2,0,0,0,0|1,0,1]=4 4567 B14R1.38 CCCNCCC(C)c1ccccc1 Amb19073616 [0,2,0,0,0,0|1,0,0]=3 4568 B14R1.38 CCCNCCC(C)c1ccccc1 Amb19890572 [0,2,0,0,0,0|1,0,0]=3 4569 B14R1.38 CCCSCCC(=O)c1ccccc1 Amb32683161 [0,2,0,0,0,0|1,0,1]=4 4570 B14R1.38 CCOCCNC(C)c1ccccc1 Amb9240998 [0,2,0,0,0,0|2,0,0]=4 4571 B14R1.38 CCSCCCC(=O)c1ccccc1 Amb9660277 [0,2,0,0,0,0|1,0,1]=4 4572 B14R1.38 COCCCCC(N)c1ccccc1 Amb19051190 [0,2,0,0,0,0|0,0,0]=2 4573 B14R1.38 COCCCNC(C)c1ccccc1 Amb6730204 [0,2,0,0,0,0|1,0,0]=3 4574 B14R1.38 COCCCNC(C)c1ccccn1 Amb6356075 [0,2,0,0,0,0|2,0,0]=4 4575 B14R1.38 COCCCNC(C)c1cccnc1 Amb6730222 [0,2,0,0,0,0|2,0,0]=4 4576 B14R1.38 COCCCNC(C)c1ccncc1 Amb6730221 [0,2,0,0,0,0|2,0,0]=4 4577 B14R1.38 COCCOCC(N)c1ccccc1 Amb6662194 [0,2,0,0,0,0|1,0,0]=3 4578 B14R1.38 COCCOCC(O)c1ccccc1 Amb19081559 [0,2,0,0,0,0|1,0,0]=3 4579 B14R1.38 COCCSCC(=O)c1ccccc1 Amb9668174 [0,2,0,0,0,0|1,0,1]=4 4580 B14R1.38 CSCCCNC(C)c1ccccc1 Amb6719455 [0,2,0,0,0,0|1,1,0]=4 4581 B14R1.38 N#CCCCCC(=O)c1ccccc1 Amb6301774 [0,2,0,0,0,0|1,0,1]=4 4582 B14R1.38 NC(CCSCCO)c1ccccc1 Amb29847199 [0,2,0,0,0,0|0,0,0]=2 4583 B14R1.38 NCCCCCC(=O)c1cccnc1 Amb19823804 [0,2,0,0,0,0|2,0,0]=4 4584 B14R1.38 NCCCCCC(=O)c1ccncc1 Amb19823805 [0,2,0,0,0,0|2,0,0]=4 4585 B14R1.38 NCCCCCC(N)c1ccccn1 Amb10606958 [0,2,0,0,0,0|2,0,0]=4 4586 B14R1.38 NCCCCCC(N)c1cccnc1 Amb10606957 [0,2,0,0,0,0|2,0,0]=4 4587 B14R1.38 NCCCCCC(N)c1ccncc1 Amb10606956 [0,2,0,0,0,0|2,0,0]=4 4588 B14R1.38 NCCCCNC(=O)c1ccccc1 Amb17053713 [0,2,0,0,0,0|1,0,1]=4 4589 B14R1.38 NCCCOCC(=O)c1ccccc1 Amb18630480 [0,2,0,0,0,0|1,0,1]=4 4590 B14R1.38 O=C(C#CCCCO)c1ccccc1 Amb27764961 [0,2,0,0,0,0|0,0,2]=4 4591 B14R1.38 O=C(CCCCCCl)c1ccccc1 Amb6301785 [0,2,0,0,0,0|1,0,0]=3 4592 B14R1.38 O=C(CCNCCO)c1ccccc1 Amb1197570 [0,2,0,0,0,0|0,0,1]=3 4593 B14R1.38 O=C(CCNCCO)c1ccccc1 Amb4286398 [0,2,0,0,0,0|0,0,1]=3 4594 B14R1.38 O=C(CCSCCO)c1ccccc1 Amb21984387 [0,2,0,0,0,0|0,0,1]=3 4595 B14R1.38 O=C(CSCCCO)c1ccccc1 Amb32682805 [0,2,0,0,0,0|0,0,1]=3 4596 B14R1.38 O=C(NCCCCO)c1ccccc1 Amb17102989 [0,2,0,0,0,0|0,0,1]=3 4597 B14R1.38 O=C(OCCCCCl)c1ccccc1 Amb2720553 [0,2,0,0,0,0|1,0,1]=4 4598 B14R1.38 O=C(OCCCCI)c1ccccc1 Amb2725258 [0,2,0,0,0,0|1,0,1]=4 4599 B14R1.38 OCCSCCC(O)c1ccccc1 Amb21984403 [0,2,0,0,0,0|0,0,0]=2 4600 B14R1.38 O[C@@H](C#CCCCCl)c1ccccc1 Amb27985022 [0,2,0,0,0,0|1,0,1]=4 4601 B14R1.46 CCCNCC(C)(C)c1ccccc1 Amb19148890 [0,2,0,0,0,0|2,0,0]=4 4602 B14R1.46 CCCNCC(C)(C)c1ccccc1 Amb8853744 [0,2,0,0,0,0|2,0,0]=4 4603 B14R1.46 N=S(=O)(CCCCN)c1ccccc1 Amb35788302 [0,2,0,0,0,0|2,0,0]=4 4604 B14R1.46 O=S(=O)(NCCCO)c1ccccc1 Amb5751344 [0,2,0,0,0,0|2,0,0]=4 4605 B14R1.121 CCC(NCCCO)c1ccccc1 Amb6733618 [0,2,0,0,0,0|1,0,0]=3 4606 B14R1.121 CCCCNC(CC)c1ccccc1 Amb9736122 [0,2,0,0,0,0|2,0,0]=4 4607 B14R1.121 CCCCNC(CO)c1ccccc1 Amb33496251 [0,2,0,0,0,0|2,0,0]=4 4608 B14R1.121 CCCCOC(CBr)c1ccccc1 Amb33348519 [0,2,0,0,0,0|2,0,0]=4 4609 B14R1.121 CCCCOC(CI)c1ccccc1 Amb33349136 [0,2,0,0,0,0|2,0,0]=4 4610 B14R1.163 CC(CN[C@@H](C)CO)c1ccccc1 Amb32652678 [0,2,0,0,0,0|1,0,0]=3 4611 B14R1.163 CC(CN[C@@H](C)CO)c1ccccc1 Amb32653084 [0,2,0,0,0,0|1,0,0]=3 4612 B14R1.163 CC(CO)NCC(C)c1ccccc1 Amb32666287 [0,2,0,0,0,0|1,0,0]=3 4613 B14R1.163 CC(CO)NCC(C)c1ccccc1 Amb9359648 [0,2,0,0,0,0|1,0,0]=3 4614 B14R1.163 CC(CO)NCC(O)c1ccccc1 Amb19052327 [0,2,0,0,0,0|1,0,0]=3 4615 B14R1.163 CC(CO)SCC(=O)c1ccccc1 Amb32682804 [0,2,0,0,0,0|1,0,1]=4 4616 B14R1.163 CC(OCC(O)CN)c1ccccc1 Amb6248358 [0,2,0,0,0,0|2,0,0]=4 4617 B14R1.163 CCC(Br)CCC(=O)c1ccccc1 Amb24079098 [0,2,0,0,0,0|1,0,1]=4 4618 B14R1.163 CCC(C)CNC(C)c1ccccc1 Amb6719459 [0,2,0,0,0,0|2,0,0]=4 4619 B14R1.163 CCC(C)NCC(C)c1ccccc1 Amb2119579 [0,2,0,0,0,0|2,0,0]=4 4620 B14R1.163 CCC(C)NCC(C)c1ccccc1 Amb6729200 [0,2,0,0,0,0|2,0,0]=4 4621 B14R1.163 CCC(N)CNC(C)c1ccccc1 Amb33230038 [0,2,0,0,0,0|2,0,0]=4 4622 B14R1.163 O=C(OCC(O)CO)c1ccccc1 Amb538218 [0,2,0,0,0,0|1,0,1]=4 4623 B14R1.166 CC(SCCO)C(=O)c1ccccc1 Amb9668390 [0,2,0,0,0,0|1,0,1]=4 4624 B14R1.166 CCCNC(C)C(O)c1ccccc1 Amb18604509 [0,2,0,0,0,0|2,0,0]=4 4625 B14R1.166 CN(C(=O)CCCO)c1ccccc1 Amb17235619 [0,2,0,0,0,0|1,0,1]=4 4626 B14R1.166 O=C(NCCO)C(O)c1ccccc1 Amb2613781 [0,2,0,0,0,0|1,0,1]=4 4627 B14R1.420 CC(C)CCCC(=O)c1ccccc1 Amb9031532 [0,2,0,0,0,0|1,0,1]=4 4628 B14R1.420 CC(C)CCNC(C)c1ccccc1 Amb6684810 [0,2,0,0,0,0|2,0,0]=4 4629 B14R1.420 CC(C)CNCC(C)c1ccccc1 Amb2119560 [0,2,0,0,0,0|2,0,0]=4 4630 B14R1.420 CC(C)CNCC(C)c1ccccc1 Amb6729157 [0,2,0,0,0,0|2,0,0]=4 4631 B14R1.420 CC(C)CNCC(O)c1ccccc1 Amb4514281 [0,2,0,0,0,0|2,0,0]=4 4632 B14R1.420 CC(C)NCCC(C)c1ccccc1 Amb19073617 [0,2,0,0,0,0|2,0,0]=4 4633 B14R1.420 CC(C)NCCC(C)c1ccccc1 Amb20673466 [0,2,0,0,0,0|2,0,0]=4 4634 B14R1.420 CC(CCCC(=O)O)c1ccccc1 Amb17844447 [0,2,0,0,0,0|0,0,1]=3 4635 B14R1.420 CC(CNCC(=O)O)c1ccccc1 Amb9209651 [0,2,0,0,0,0|1,0,1]=4 4636 B14R1.420 CC(COCC(=O)O)c1ccccc1 Amb32664591 [0,2,0,0,0,0|1,0,1]=4 4637 B14R1.420 CC(NCCC(=O)O)c1ccccc1 Amb2372473 [0,2,0,0,0,0|1,0,1]=4 4638 B14R1.420 CC(O)CCNC(C)c1ccccc1 Amb33455957 [0,2,0,0,0,0|1,0,0]=3 4639 B14R1.420 CC(O)CCNC(C)c1ccccn1 Amb33455951 [0,2,0,0,0,0|2,0,0]=4 4640 B14R1.420 CC(O)CCNC(C)c1cccnc1 Amb33455956 [0,2,0,0,0,0|2,0,0]=4 4641 B14R1.420 CC(O)CCNC(C)c1ccncc1 Amb33455964 [0,2,0,0,0,0|2,0,0]=4 4642 B14R1.420 CC(SCCC(=O)O)c1ccccc1 Amb32410943 [0,2,0,0,0,0|1,0,1]=4 4643 B14R1.420 CN(CCCC(=O)O)c1ccccc1 Amb5775500 [0,2,0,0,0,0|1,0,1]=4 4644 B14R1.420 NC(CCCC(=O)O)c1ccccc1 Amb34003661 [0,2,0,0,0,0|0,0,1]=3 4645 B14R1.420 NC(CCCC(=O)O)c1ccccc1 Amb7770362 [0,2,0,0,0,0|0,0,1]=3 4646 B14R1.420 NC(CCCC(=O)O)c1ccccn1 Amb18638961 [0,2,0,0,0,0|1,0,1]=4 4647 B14R1.420 N[C@H](CCCC(=O)O)c1ccccc1 Amb33802006 [0,2,0,0,0,0|0,0,1]=3 4648 B14R1.420 O=C(O)CCCC(=O)c1ccccc1 Amb2613191 [0,2,0,0,0,0|0,0,2]=4 4649 B14R1.420 O=C(O)CCCC(O)c1ccccc1 Amb5740030 [0,2,0,0,0,0|0,0,1]=3 4650 B14R1.420 O=C([O-])CCCC(O)c1ccccc1 Amb28653093 [0,2,0,0,0,0|0,0,2]=4 4651 B14R1.1035 CC(NCCCO)c1ccccc1Br Amb6733641 [0,2,0,0,0,0|1,0,0]=3 4652 B14R1.1035 CC(NCCCO)c1ccccc1Cl Amb6733623 [0,2,0,0,0,0|1,0,0]=3 4653 B14R1.1035 CC(NCCCO)c1ccccc1F Amb6733637 [0,2,0,0,0,0|1,0,0]=3 4654 B14R1.1035 CCCCCC(N)c1ccccc1C Amb19073668 [0,2,0,0,0,0|1,0,0]=3 4655 B14R1.1035 CCCCCC(N)c1ccccc1C Amb32662412 [0,2,0,0,0,0|1,0,0]=3 4656 B14R1.1035 CCCCCC(N)c1ccccc1F Amb19043319 [0,2,0,0,0,0|1,0,0]=3 4657 B14R1.1035 CCCCCC(N)c1ccccc1F Amb35745828 [0,2,0,0,0,0|1,0,0]=3 4658 B14R1.1035 CCCCNC(C)c1ccccc1Br Amb6691028 [0,2,0,0,0,0|2,0,0]=4 4659 B14R1.1035 CCCCNC(C)c1ccccc1C Amb6691057 [0,2,0,0,0,0|2,0,0]=4 4660 B14R1.1035 Cc1ccccc1C(=O)CCCCCl Amb6302021 [0,2,0,0,0,0|1,0,1]=4 4661 B14R1.1035 Cc1ccccc1C(=O)CSCCO Amb9668406 [0,2,0,0,0,0|1,0,1]=4 4662 B14R1.1035 Cc1ccccc1C(=O)NCCCO Amb9243529 [0,2,0,0,0,0|1,0,1]=4 4663 B14R1.1035 Cc1ccccc1C(C)NCCCO Amb6733681 [0,2,0,0,0,0|1,0,0]=3 4664 B14R1.1035 Nc1ccccc1C(=O)NCCCO Amb1110148 [0,2,0,0,0,0|1,0,1]=4 4665 B14R1.1035 O=C(CCCCCl)c1ccccc1Br Amb6301787 [0,2,0,0,0,0|1,0,1]=4 4666 B14R1.1035 O=C(CCCCCl)c1ccccc1Cl Amb6301866 [0,2,0,0,0,0|1,0,1]=4 4667 B14R1.1035 O=C(CCCCCl)c1ccccc1I Amb6301875 [0,2,0,0,0,0|1,0,1]=4 4668 B14R1.1035 O=C(CSCCO)c1ccccc1Br Amb9668362 [0,2,0,0,0,0|1,0,1]=4 4669 B14R1.1035 O=C(CSCCO)c1ccccc1Cl Amb9668383 [0,2,0,0,0,0|1,0,1]=4 4670 B14R1.1035 O=C(CSCCO)c1ccccc1F Amb9668364 [0,2,0,0,0,0|1,0,1]=4 4671 B14R1.1035 O=C(NCCCO)c1ccccc1Br Amb5798985 [0,2,0,0,0,0|1,0,1]=4 4672 B14R1.1035 O=C(NCCCO)c1ccccc1Cl Amb5798847 [0,2,0,0,0,0|1,0,1]=4 4673 B14R1.1035 O=C(NCCCO)c1ccccc1F Amb5798811 [0,2,0,0,0,0|1,0,1]=4 4674 B14R1.123 BrCCCCCCCc1ccccc1 Amb2685410 [0,2,0,0,0,0|1,0,0]=3 4675 B14R1.123 BrCCCCCOCc1ccccc1 Amb24089339 [0,2,0,0,0,0|1,0,0]=3 4676 B14R1.123 BrCCOCCOCc1ccccc1 Amb27189803 [0,2,0,0,0,0|1,0,0]=3 4677 B14R1.123 C#CCCCCOCc1ccccc1 Amb8392245 [0,2,0,0,0,0|1,0,0]=3 4678 B14R1.123 C#CCNCCOCc1ccccc1 Amb19072375 [0,2,0,0,0,0|1,0,1]=4 4679 B14R1.123 C#CCOCCOCc1ccccc1 Amb3433600 [0,2,0,0,0,0|1,0,1]=4 4680 B14R1.123 C#CCSCCNCc1ccccc1 Amb27956378 [0,2,0,0,0,0|1,0,1]=4 4681 B14R1.123 C=CCCCCNCc1ccccc1 Amb28398105 [0,2,0,0,0,0|1,0,0]=3 4682 B14R1.123 C=CCCCCOCc1ccccc1 Amb24546989 [0,2,0,0,0,0|1,0,0]=3 4683 B14R1.123 C=CCNCCCOc1ccccc1 Amb2625167 [0,2,0,0,0,0|1,0,1]=4 4684 B14R1.123 C=COCCNCCc1ccccn1 Amb19886677 [0,2,0,0,0,0|2,0,0]=4 4685 B14R1.123 C=COCCNCCc1ccncc1 Amb6355944 [0,2,0,0,0,0|2,0,0]=4 4686 B14R1.123 CCCCCCCCc1ccccc1 Amb6619511 [0,2,0,0,0,0|1,0,0]=3 4687 B14R1.123 CCCCCCCCc1ccccn1 Amb22235250 [0,2,0,0,0,0|2,0,0]=4 4688 B14R1.123 CCCCCCCCc1cccnc1 Amb22235254 [0,2,0,0,0,0|2,0,0]=4 4689 B14R1.123 CCCCCCCCc1ccncc1 Amb10553162 [0,2,0,0,0,0|2,0,0]=4 4690 B14R1.123 CCCCCCNCc1ccccc1 Amb838135 [0,2,0,0,0,0|1,0,0]=3 4691 B14R1.123 CCCCCCNCc1ccccn1 Amb5262449 [0,2,0,0,0,0|2,0,0]=4 4692 B14R1.123 CCCCCCNCc1cccnc1 Amb837567 [0,2,0,0,0,0|2,0,0]=4 4693 B14R1.123 CCCCCCNCc1ccncc1 Amb837882 [0,2,0,0,0,0|2,0,0]=4 4694 B14R1.123 CCCCCNCCc1ccccc1 Amb6688086 [0,2,0,0,0,0|1,0,0]=3 4695 B14R1.123 CCCCCNOCc1ccccc1 Amb25943392 [0,2,0,0,0,0|1,0,0]=3 4696 B14R1.123 CCCCNCC#Cc1ccccc1 Amb1923321 [0,2,0,0,0,0|1,0,1]=4 4697 B14R1.123 CCCCNCC#Cc1ccccc1 Amb6864870 [0,2,0,0,0,0|1,0,1]=4 4698 B14R1.123 CCCCNCCCc1ccccc1 Amb10559435 [0,2,0,0,0,0|1,0,0]=3 4699 B14R1.123 CCCCNCCCc1ccccc1 Amb6709575 [0,2,0,0,0,0|1,0,0]=3 4700 B14R1.123 CCCCNCCOc1ccccc1 Amb17235713 [0,2,0,0,0,0|1,0,0]=3 4701 B14R1.123 CCCCNCCOc1ccccn1 Amb22534925 [0,2,0,0,0,0|2,0,0]=4 4702 B14R1.123 CCCCNC\C=C\c1ccccc1 Amb6864531 [0,2,0,0,0,0|1,0,1]=4 4703 B14R1.123 CCCCNC\C=C\c1ccccc1 Amb8450614 [0,2,0,0,0,0|1,0,1]=4 4704 B14R1.123 CCCNCCCOc1ccccc1 Amb7761184 [0,2,0,0,0,0|1,0,0]=3 4705 B14R1.123 CCCNCCNCc1ccccn1 Amb19062224 [0,2,0,0,0,0|2,0,0]=4 4706 B14R1.123 CCCNCCNCc1cccnc1 Amb19062225 [0,2,0,0,0,0|2,0,0]=4 4707 B14R1.123 CCCNCCNCc1ccncc1 Amb20573256 [0,2,0,0,0,0|2,0,0]=4 4708 B14R1.123 CCCNCCOCc1ccccc1 Amb19079608 [0,2,0,0,0,0|1,0,0]=3 4709 B14R1.123 CCCNOCCOc1ccccc1 Amb33099345 [0,2,0,0,0,0|2,0,0]=4 4710 B14R1.123 CCNCCCCOc1ccccc1 Amb17561487 [0,2,0,0,0,0|1,0,0]=3 4711 B14R1.123 CCNCCCNCc1cccnc1 Amb880407 [0,2,0,0,0,0|2,0,0]=4 4712 B14R1.123 CCNCCCOCc1ccccc1 Amb33530508 [0,2,0,0,0,0|1,0,0]=3 4713 B14R1.123 CCOCCCNCc1ccccc1 Amb837710 [0,2,0,0,0,0|1,0,0]=3 4714 B14R1.123 CCOCCCNCc1ccccn1 Amb5262447 [0,2,0,0,0,0|2,0,0]=4 4715 B14R1.123 CCOCCCNCc1cccnc1 Amb837641 [0,2,0,0,0,0|2,0,0]=4 4716 B14R1.123 CCOCCCNCc1ccncc1 Amb837852 [0,2,0,0,0,0|2,0,0]=4 4717 B14R1.123 CCOCCNCCc1ccccc1 Amb9241005 [0,2,0,0,0,0|1,0,0]=3 4718 B14R1.123 CCSCCCNCc1ccccc1 Amb27153761 [0,2,0,0,0,0|1,0,0]=3 4719 B14R1.123 CNCCCCNCc1ccccc1 Amb19050856 [0,2,0,0,0,0|1,0,0]=3 4720 B14R1.123 CNCCCCOCc1ccccc1 Amb19062004 [0,2,0,0,0,0|1,0,0]=3 4721 B14R1.123 CNCCCNCCc1ccccc1 Amb6888027 [0,2,0,0,0,0|1,0,0]=3 4722 B14R1.123 CNCCSCOCc1ccccc1 Amb27434622 [0,2,0,0,0,0|2,0,0]=4 4723 B14R1.123 COCCCCCNc1ccccc1 Amb33133276 [0,2,0,0,0,0|0,0,0]=2 4724 B14R1.123 COCCCCNCc1ccccc1 Amb10610303 [0,2,0,0,0,0|0,0,0]=2 4725 B14R1.123 COCCCCNCc1ccccn1 Amb19080202 [0,2,0,0,0,0|1,0,0]=3 4726 B14R1.123 COCCCCNCc1cccnc1 Amb19080200 [0,2,0,0,0,0|1,0,0]=3 4727 B14R1.123 COCCCCNCc1ccncc1 Amb19080201 [0,2,0,0,0,0|1,0,0]=3 4728 B14R1.123 COCCCNCCc1ccccc1 Amb876019 [0,2,0,0,0,0|0,0,0]=2 4729 B14R1.123 COCCNCC#Cc1ccccc1 Amb6865596 [0,2,0,0,0,0|0,0,2]=4 4730 B14R1.123 COCCNCC#Cc1ccccc1 Amb9172393 [0,2,0,0,0,0|0,0,2]=4 4731 B14R1.123 COCCNCCCc1ccccc1 Amb6707136 [0,2,0,0,0,0|0,0,0]=2 4732 B14R1.123 COCCNCCOc1ccccc1 Amb10608623 [0,2,0,0,0,0|1,0,0]=3 4733 B14R1.123 COCCNCCOc1ccccc1 Amb22587632 [0,2,0,0,0,0|1,0,0]=3 4734 B14R1.123 COCCNC\C=C\c1ccccc1 Amb1925718 [0,2,0,0,0,0|0,0,2]=4 4735 B14R1.123 COCCNC\C=C\c1ccccc1 Amb6865440 [0,2,0,0,0,0|0,0,2]=4 4736 B14R1.123 CONCCCOCc1ccccc1 Amb28123887 [0,2,0,0,0,0|1,0,0]=3 4737 B14R1.123 ClCC#CCCOCc1ccccc1 Amb27481652 [0,2,0,0,0,0|1,0,1]=4 4738 B14R1.123 ClCCCCCOCc1ccccc1 Amb9001647 [0,2,0,0,0,0|1,0,0]=3 4739 B14R1.123 ClCCCOC\C=C\c1ccccc1 Amb24113677 [0,2,0,0,0,0|1,0,1]=4 4740 B14R1.123 ClCCNCCOCc1ccccc1 Amb9870425 [0,2,0,0,0,0|1,0,0]=3 4741 B14R1.123 ClCCOCCOCc1ccccc1 Amb2583262 [0,2,0,0,0,0|1,0,0]=3 4742 B14R1.123 ClCCSCCOCc1ccccc1 Amb27975500 [0,2,0,0,0,0|1,0,0]=3 4743 B14R1.123 FCCCCCNCc1ccccc1 Amb27234459 [0,2,0,0,0,0|1,0,0]=3 4744 B14R1.123 FCCCCNOCc1ccccc1 Amb27765238 [0,2,0,0,0,0|1,0,0]=3 4745 B14R1.123 FCCNCCOCc1ccccc1 Amb28342130 [0,2,0,0,0,0|1,0,0]=3 4746 B14R1.123 ICCCCCNCc1ccccc1 Amb27468861 [0,2,0,0,0,0|1,0,0]=3 4747 B14R1.123 ICCCCCOCc1ccccc1 Amb25126877 [0,2,0,0,0,0|1,0,0]=3 4748 B14R1.123 ICCOCCOCc1ccccc1 Amb32410437 [0,2,0,0,0,0|1,0,0]=3 4749 B14R1.123 N#CCCCCNCc1ccccc1 Amb19077443 [0,2,0,0,0,0|1,0,0]=3 4750 B14R1.123 N#CCCCOCCc1ccccc1 Amb9208580 [0,2,0,0,0,0|1,0,0]=3 4751 B14R1.123 NCCCCCNCc1ccccc1 Amb27837258 [0,2,0,0,0,0|1,0,0]=3 4752 B14R1.123 NCCCCNOCc1ccccc1 Amb24707828 [0,2,0,0,0,0|1,0,0]=3 4753 B14R1.123 NCCCCNOCc1ccccc1 Amb32663258 [0,2,0,0,0,0|1,0,0]=3 4754 B14R1.123 NCCCCNOCc1ccccc1 Amb32663272 [0,2,0,0,0,0|1,0,0]=3 4755 B14R1.123 NCCCCOCCc1ccccc1 Amb7790965 [0,2,0,0,0,0|1,0,0]=3 4756 B14R1.123 NCCCNCCCc1ccccc1 Amb19050820 [0,2,0,0,0,0|1,0,0]=3 4757 B14R1.123 NCCCNCCOc1ccccc1 Amb19080348 [0,2,0,0,0,0|1,0,0]=3 4758 B14R1.123 NCCCSCCCc1ccccc1 Amb17500700 [0,2,0,0,0,0|1,0,0]=3 4759 B14R1.123 NCCOCCOCc1ccccc1 Amb18630209 [0,2,0,0,0,0|1,0,0]=3 4760 B14R1.123 NCCOCCSCc1ccccc1 Amb17501961 [0,2,0,0,0,0|1,0,0]=3 4761 B14R1.123 NNCCCCOCc1ccccc1 Amb27246241 [0,2,0,0,0,0|1,0,0]=3 4762 B14R1.123 O=C=NCCCOCc1ccccc1 Amb25186658 [0,2,0,0,0,0|0,0,2]=4 4763 B14R1.123 O=CCCCCCOc1ccccc1 Amb32410632 [0,2,0,0,0,0|0,0,1]=3 4764 B14R1.123 O=CCCCCOCc1ccccc1 Amb27814086 [0,2,0,0,0,0|0,0,1]=3 4765 B14R1.123 O=CCOCCOCc1ccccc1 Amb27793304 [0,2,0,0,0,0|0,0,2]=4 4766 B14R1.123 OCC#CCCOCc1ccccc1 Amb27857928 [0,2,0,0,0,0|0,0,1]=3 4767 B14R1.123 OCCC#CC\C=C\c1ccccc1 Amb28249103 [0,2,0,0,0,0|0,0,2]=4 4768 B14R1.123 OCCCC#CC#Cc1ccccc1 Amb28130317 [0,2,0,0,0,0|0,0,2]=4 4769 B14R1.123 OCCCCCCCc1ccccc1 Amb10807513 [0,2,0,0,0,0|0,0,0]=2 4770 B14R1.123 OCCCCCNCc1ccccc1 Amb875693 [0,2,0,0,0,0|0,0,0]=2 4771 B14R1.123 OCCCCCNCc1ccccn1 Amb875995 [0,2,0,0,0,0|1,0,0]=3 4772 B14R1.123 OCCCCCNCc1cccnc1 Amb875741 [0,2,0,0,0,0|1,0,0]=3 4773 B14R1.123 OCCCCCNCc1ccncc1 Amb2172482 [0,2,0,0,0,0|1,0,0]=3 4774 B14R1.123 OCCCCCOCc1ccccc1 Amb3939226 [0,2,0,0,0,0|0,0,0]=2 4775 B14R1.123 OCCCNCCCc1ccccc1 Amb6733767 [0,2,0,0,0,0|0,0,0]=2 4776 B14R1.123 OCCCNC\C=C\c1ccccc1 Amb1926882 [0,2,0,0,0,0|0,0,1]=3 4777 B14R1.123 OCCCNC\C=C\c1ccccc1 Amb2114455 [0,2,0,0,0,0|0,0,1]=3 4778 B14R1.123 OCCNCCCOc1ccccc1 Amb17143154 [0,2,0,0,0,0|0,0,0]=2 4779 B14R1.123 OCCNCCNCc1ccccc1 Amb22532748 [0,2,0,0,0,0|0,0,0]=2 4780 B14R1.123 OCCNCCNCc1ccccn1 Amb5262460 [0,2,0,0,0,0|1,0,0]=3 4781 B14R1.123 OCCNCCNCc1cccnc1 Amb22531666 [0,2,0,0,0,0|1,0,0]=3 4782 B14R1.123 OCCNCCNCc1ccncc1 Amb22531664 [0,2,0,0,0,0|1,0,0]=3 4783 B14R1.123 OCCNCC\C=C/c1ccccc1 Amb17143093 [0,2,0,0,0,0|0,0,1]=3 4784 B14R1.123 OCCOCCNCc1ccccc1 Amb837598 [0,2,0,0,0,0|0,0,0]=2 4785 B14R1.123 OCCOCCNCc1ccccn1 Amb6736257 [0,2,0,0,0,0|1,0,0]=3 4786 B14R1.123 OCCOCCNCc1cccnc1 Amb837570 [0,2,0,0,0,0|1,0,0]=3 4787 B14R1.123 OCCOCCNCc1ccncc1 Amb838150 [0,2,0,0,0,0|1,0,0]=3 4788 B14R1.123 OCCOCCOCc1ccccc1 Amb4009339 [0,2,0,0,0,0|0,0,0]=2 4789 B14R1.123 OCC\C=C\COCc1ccccc1 Amb27824499 [0,2,0,0,0,0|0,0,1]=3 4790 B14R1.123 OCC\N=C\COCc1ccccc1 Amb27486612 [0,2,0,0,0,0|0,0,1]=3 4791 B14R1.123 OCOCOCOCc1ccccc1 Amb24526001 [0,2,0,0,0,0|1,0,0]=3 4792 B14R1.123 OC\C=C\CCC#Cc1ccccc1 Amb28345276 [0,2,0,0,0,0|0,0,2]=4 4793 B14R1.123 SCCCCCOCc1ccccc1 Amb27182376 [0,2,0,0,0,0|0,1,0]=3 4794 B14R1.123 [N-]=[N+]=NCCCCOc1ccccc1 Amb18633001 [0,2,0,0,0,0|2,0,0]=4 4795 B14R1.156 C#CCCC(O)CCc1ccccc1 Amb33743358 [0,2,0,0,0,0|1,0,0]=3 4796 B14R1.156 C=C(C#Cc1ccccc1)CCCO Amb27970835 [0,2,0,0,0,0|0,0,2]=4 4797 B14R1.156 C=CCCC(C)NCc1ccccc1 Amb26521969 [0,2,0,0,0,0|1,0,1]=4 4798 B14R1.156 CC(CCC=O)OCc1ccccc1 Amb28077013 [0,2,0,0,0,0|0,0,2]=4 4799 B14R1.156 CC(CCCCl)OCc1ccccc1 Amb27387887 [0,2,0,0,0,0|1,0,0]=3 4800 B14R1.156 CC(CCCN)OCc1ccccc1 Amb19062009 [0,2,0,0,0,0|1,0,0]=3 4801 B14R1.156 CC(CCCO)NCc1ccccc1 Amb24469777 [0,2,0,0,0,0|0,0,0]=2 4802 B14R1.156 CC(CCCO)NCc1ccccn1 Amb33363356 [0,2,0,0,0,0|1,0,0]=3 4803 B14R1.156 CC(CCCO)NCc1cccnc1 Amb33363379 [0,2,0,0,0,0|1,0,0]=3 4804 B14R1.156 CC(CCCO)NCc1ccncc1 Amb33363353 [0,2,0,0,0,0|1,0,0]=3 4805 B14R1.156 CC(CCCO)OCc1ccccc1 Amb28345321 [0,2,0,0,0,0|0,0,0]=2 4806 B14R1.156 CC(CCc1ccccc1)NCCO Amb7809218 [0,2,0,0,0,0|0,0,0]=2 4807 B14R1.156 CC(COc1ccccc1)NCCO Amb2368673 [0,2,0,0,0,0|1,0,0]=3 4808 B14R1.156 CCCCC(=N)NCc1ccccc1 Amb27747036 [0,2,0,0,0,0|1,0,1]=4 4809 B14R1.156 CCCCC(=O)NCc1ccccc1 Amb3363781 [0,2,0,0,0,0|1,0,1]=4 4810 B14R1.156 CCCCC(N)C#Cc1ccccc1 Amb28368357 [0,2,0,0,0,0|1,0,1]=4 4811 B14R1.156 CCCC[C@@H](C)NCc1ccccc1 Amb27790943 [0,2,0,0,0,0|1,0,0]=3 4812 B14R1.156 CCCC[C@@H](N)C#Cc1ccccc1 Amb27865476 [0,2,0,0,0,0|1,0,1]=4 4813 B14R1.156 CCCC[C@H](C)NCc1ccccc1 Amb27796180 [0,2,0,0,0,0|1,0,0]=3 4814 B14R1.156 CCNCC(C)OCc1ccccc1 Amb19062017 [0,2,0,0,0,0|2,0,0]=4 4815 B14R1.156 CCNCC(O)COc1ccccc1 Amb8854880 [0,2,0,0,0,0|2,0,0]=4 4816 B14R1.156 CCOCC(C)NCc1ccccc1 Amb19079611 [0,2,0,0,0,0|2,0,0]=4 4817 B14R1.156 CCOCC(O)CNc1ccccc1 Amb842693 [0,2,0,0,0,0|2,0,0]=4 4818 B14R1.156 CCOC[C@H](C)NCc1ccccc1 Amb27824947 [0,2,0,0,0,0|2,0,0]=4 4819 B14R1.156 CN(CCCN)CCc1ccccc1 Amb6670566 [0,2,0,0,0,0|1,0,0]=3 4820 B14R1.156 CN(CCCN)CCc1ccncc1 Amb5357856 [0,2,0,0,0,0|2,0,0]=4 4821 B14R1.156 CN(CCCO)CCc1ccccc1 Amb17336737 [0,2,0,0,0,0|0,0,0]=2 4822 B14R1.156 CNCCC(C)NCc1ccccc1 Amb27249965 [0,2,0,0,0,0|2,0,0]=4 4823 B14R1.156 COCCC(=O)NCc1ccccc1 Amb28384929 [0,2,0,0,0,0|1,0,1]=4 4824 B14R1.156 COCCC(N)C#Cc1ccccc1 Amb28386021 [0,2,0,0,0,0|0,0,2]=4 4825 B14R1.156 C[C@@H](CCC#N)NCc1ccccc1 Amb28396662 [0,2,0,0,0,0|1,0,1]=4 4826 B14R1.156 C[C@H](\C=C\CO)OCc1ccccc1 Amb27757400 [0,2,0,0,0,0|0,0,2]=4 4827 B14R1.156 N=C(NCCO)NCc1ccccc1 Amb27602984 [0,2,0,0,0,0|1,0,1]=4 4828 B14R1.156 NCCCC(=O)NCc1ccccc1 Amb5785143 [0,2,0,0,0,0|1,0,1]=4 4829 B14R1.156 NCCCC(=O)OCc1ccccc1 Amb33038335 [0,2,0,0,0,0|1,0,1]=4 4830 B14R1.156 NCCCC(=O)OCc1ccccc1 Amb4247412 [0,2,0,0,0,0|1,0,1]=4 4831 B14R1.156 NCCCC(=O)OCc1ccccc1 Amb594688 [0,2,0,0,0,0|1,0,1]=4 4832 B14R1.156 NCCCC(O)C#Cc1ccccc1 Amb30024320 [0,2,0,0,0,0|1,0,1]=4 4833 B14R1.156 O=C(C#CCO)CCc1ccccc1 Amb27389076 [0,2,0,0,0,0|0,0,2]=4 4834 B14R1.156 O=C(CCCBr)OCc1ccccc1 Amb2413170 [0,2,0,0,0,0|1,0,1]=4 4835 B14R1.156 O=C(CCCO)OCc1ccccc1 Amb27877363 [0,2,0,0,0,0|0,0,1]=3 4836 B14R1.156 O=C(CCCS)OCc1ccccc1 Amb27171726 [0,2,0,0,0,0|0,1,1]=4 4837 B14R1.156 O=C(NCCO)NCc1ccccc1 Amb27230491 [0,2,0,0,0,0|1,0,1]=4 4838 B14R1.156 O=C(NCCO)OCc1ccccc1 Amb17719245 [0,2,0,0,0,0|1,0,1]=4 4839 B14R1.156 O=C(NCc1ccccc1)OCCO Amb24335977 [0,2,0,0,0,0|1,0,1]=4 4840 B14R1.156 OCCCC(O)C#Cc1ccccc1 Amb28200203 [0,2,0,0,0,0|0,0,1]=3 4841 B14R1.156 OCCCC(O)C#Cc1cccnc1 Amb28281826 [0,2,0,0,0,0|1,0,1]=4 4842 B14R1.156 OCCC[C@@H](O)C#Cc1ccccc1 Amb27773128 [0,2,0,0,0,0|0,0,1]=3 4843 B14R1.158 BN(CCCC=C)Cc1ccccc1 Amb27957597 [0,2,0,0,0,0|1,0,1]=4 4844 B14R1.158 CCC#CCC(O)Cc1ccccc1 Amb27775829 [0,2,0,0,0,0|1,0,1]=4 4845 B14R1.158 CCCCNC(C)Cc1ccccc1 Amb19041462 [0,2,0,0,0,0|1,0,0]=3 4846 B14R1.158 CCCCOC(=O)Cc1ccccc1 Amb9787240 [0,2,0,0,0,0|1,0,1]=4 4847 B14R1.158 CCCSCC(=O)Cc1ccccc1 Amb9668687 [0,2,0,0,0,0|1,0,1]=4 4848 B14R1.158 CN(CC#CCO)Cc1ccccc1 Amb27481246 [0,2,0,0,0,0|0,0,2]=4 4849 B14R1.158 CN(CCCC#N)Cc1ccccc1 Amb6279696 [0,2,0,0,0,0|1,0,1]=4 4850 B14R1.158 CN(CCCCCl)Cc1ccccc1 Amb17339782 [0,2,0,0,0,0|1,0,0]=3 4851 B14R1.158 CN(CCCCO)Cc1ccccc1 Amb9370065 [0,2,0,0,0,0|0,0,0]=2 4852 B14R1.158 CN(CCCCS)Cc1ccccc1 Amb27197835 [0,2,0,0,0,0|0,1,0]=3 4853 B14R1.158 CN(CCCON)Cc1ccccc1 Amb17104882 [0,2,0,0,0,0|1,0,0]=3 4854 B14R1.158 CN(C\C=C\CO)Cc1ccccc1 Amb27653008 [0,2,0,0,0,0|0,0,2]=4 4855 B14R1.158 CNCCCN(C)Cc1ccccc1 Amb6710801 [0,2,0,0,0,0|2,0,0]=4 4856 B14R1.158 COCCCC(N)Cc1ccccc1 Amb19062060 [0,2,0,0,0,0|0,0,0]=2 4857 B14R1.158 NCCCNC(=O)Cc1ccccc1 Amb6280127 [0,2,0,0,0,0|1,0,1]=4 4858 B14R1.158 O=C(CCCCBr)Nc1ccccc1 Amb17264932 [0,2,0,0,0,0|1,0,1]=4 4859 B14R1.158 O=C(CNCCO)Nc1ccccc1 Amb9243152 [0,2,0,0,0,0|1,0,1]=4 4860 B14R1.158 O=C(CSCCO)Cc1ccccc1 Amb9668403 [0,2,0,0,0,0|0,0,1]=3 4861 B14R1.158 O=C(CSCCO)Nc1ccccc1 Amb3568977 [0,2,0,0,0,0|1,0,1]=4 4862 B14R1.158 OCCCN\C(S)=N\c1ccccc1 Amb22330467 [0,2,0,0,0,0|1,0,1]=4 4863 B14R1.422 CC(=O)CCCCSc1ccccc1 Amb9660314 [0,2,0,0,0,0|0,0,2]=4 4864 B14R1.422 CC(=O)CCCNCc1ccccc1 Amb27831408 [0,2,0,0,0,0|0,0,2]=4 4865 B14R1.422 CC(=O)CCCSCc1ccccc1 Amb9660328 [0,2,0,0,0,0|0,0,2]=4 4866 B14R1.422 CC(C)CCNOCc1ccccc1 Amb27749349 [0,2,0,0,0,0|2,0,0]=4 4867 B14R1.422 CC(C)CCOCCc1ccccc1 Amb22732326 [0,2,0,0,0,0|1,0,0]=3 4868 B14R1.422 CC(C)CNCCCc1ccccc1 Amb20673698 [0,2,0,0,0,0|1,0,0]=3 4869 B14R1.422 CC(C)CNCCCc1ccccc1 Amb6707256 [0,2,0,0,0,0|1,0,0]=3 4870 B14R1.422 CC(C)C\C=N\CCc1ccccc1 Amb33756839 [0,2,0,0,0,0|1,0,1]=4 4871 B14R1.422 CC(C)NCCCOc1ccccc1 Amb7760717 [0,2,0,0,0,0|2,0,0]=4 4872 B14R1.422 CC(O)CCCNCc1ccccc1 Amb27605962 [0,2,0,0,0,0|0,0,0]=2 4873 B14R1.422 CC(O)CCCOCc1ccccc1 Amb19042638 [0,2,0,0,0,0|0,0,0]=2 4874 B14R1.422 CC(O)CCNCCc1ccccc1 Amb33455982 [0,2,0,0,0,0|0,0,0]=2 4875 B14R1.422 CC(O)CNCC#Cc1ccccc1 Amb6465184 [0,2,0,0,0,0|0,0,2]=4 4876 B14R1.422 CC(O)CNC\C=C\c1ccccc1 Amb837929 [0,2,0,0,0,0|0,0,2]=4 4877 B14R1.422 CC(O)\C=C\CNCc1ccccc1 Amb18650928 [0,2,0,0,0,0|0,0,2]=4 4878 B14R1.422 CN(C)CCCNCc1ccccc1 Amb2370817 [0,2,0,0,0,0|2,0,0]=4 4879 B14R1.422 CN(C)CCCNCc1ccccc1 Amb6574221 [0,2,0,0,0,0|2,0,0]=4 4880 B14R1.422 CN(C)CCNCCc1ccccc1 Amb1136705 [0,2,0,0,0,0|2,0,0]=4 4881 B14R1.422 C[C@@H](O)C#CCOCc1ccccc1 Amb26648775 [0,2,0,0,0,0|0,0,2]=4 4882 B14R1.422 C[C@@H](O)CCCOCc1ccccc1 Amb27756440 [0,2,0,0,0,0|0,0,0]=2 4883 B14R1.422 C[C@H](O)CC#CCOc1ccccc1 Amb28206128 [0,2,0,0,0,0|0,0,2]=4 4884 B14R1.422 C[C@H](O)CCCOCc1ccccc1 Amb27457818 [0,2,0,0,0,0|0,0,0]=2 4885 B14R1.422 FC(F)CCCCOc1ccccc1 Amb24068945 [0,2,0,0,0,0|1,0,0]=3 4886 B14R1.422 N=C(N)NCCCCc1ccccc1 Amb32412066 [0,2,0,0,0,0|1,0,1]=4 4887 B14R1.422 NC(=O)CCCOCc1ccccc1 Amb25073445 [0,2,0,0,0,0|0,0,2]=4 4888 B14R1.422 NC(=O)CCNCCc1ccccc1 Amb22587630 [0,2,0,0,0,0|0,0,2]=4 4889 B14R1.422 NC(=O)CCNCCc1ccccc1 Amb8511712 [0,2,0,0,0,0|0,0,2]=4 4890 B14R1.422 NC(=O)CNCCCc1ccccc1 Amb6714614 [0,2,0,0,0,0|0,0,2]=4 4891 B14R1.422 O=C(O)CCCCCc1ccccc1 Amb6357124 [0,2,0,0,0,0|0,0,0]=2 4892 B14R1.422 O=C(O)CCCCCc1ccccn1 Amb2503929 [0,2,0,0,0,0|1,0,0]=3 4893 B14R1.422 O=C(O)CCCCNc1ccccn1 Amb31204347 [0,2,0,0,0,0|1,0,1]=4 4894 B14R1.422 O=C(O)CCCCOc1ccccc1 Amb7764633 [0,2,0,0,0,0|0,0,1]=3 4895 B14R1.422 O=C(O)CCCNCc1ccccc1 Amb1111090 [0,2,0,0,0,0|0,0,1]=3 4896 B14R1.422 O=C(O)CCCNCc1ccccc1 Amb33546428 [0,2,0,0,0,0|0,0,1]=3 4897 B14R1.422 O=C(O)CCCNCc1ccccn1 Amb33526714 [0,2,0,0,0,0|1,0,1]=4 4898 B14R1.422 O=C(O)CCCNCc1cccnc1 Amb1110505 [0,2,0,0,0,0|1,0,1]=4 4899 B14R1.422 O=C(O)CCCNCc1ccncc1 Amb1109734 [0,2,0,0,0,0|1,0,1]=4 4900 B14R1.422 O=C(O)CCCOCc1ccccc1 Amb3939004 [0,2,0,0,0,0|0,0,1]=3 4901 B14R1.422 O=C(O)CCCSCc1ccccc1 Amb6245504 [0,2,0,0,0,0|0,0,1]=3 4902 B14R1.422 O=C(O)CCNCCc1ccccc1 Amb1111405 [0,2,0,0,0,0|0,0,1]=3 4903 B14R1.422 O=C(O)CCNCCc1ccccc1 Amb13952728 [0,2,0,0,0,0|0,0,1]=3 4904 B14R1.422 O=C(O)CCNOCc1ccccc1 Amb28254459 [0,2,0,0,0,0|1,0,1]=4 4905 B14R1.422 O=C(O)CCSCCc1ccncc1 Amb2719319 [0,2,0,0,0,0|1,0,1]=4 4906 B14R1.422 O=C(O)COCCCc1ccncc1 Amb9208854 [0,2,0,0,0,0|1,0,1]=4 4907 B14R1.422 O=C(O)COCCOc1ccccc1 Amb6278949 [0,2,0,0,0,0|1,0,1]=4 4908 B14R1.422 O=C(O)CSCCCc1ccccc1 Amb1110511 [0,2,0,0,0,0|0,0,1]=3 4909 B14R1.422 O=C(O)CSCCOc1ccccc1 Amb2417110 [0,2,0,0,0,0|1,0,1]=4 4910 B14R1.422 O=S(O)CCCNCc1ccccc1 Amb27236857 [0,2,0,0,0,0|1,0,0]=3 4911 B14R1.422 O=S([O-])CCCOCc1ccccc1 Amb27489321 [0,2,0,0,0,0|1,0,1]=4 4912 B14R1.520 C#CCC(N)COCc1ccccc1 Amb28434413 [0,2,0,0,0,0|1,0,1]=4 4913 B14R1.520 C#CCC(O)COCc1ccccc1 Amb27219811 [0,2,0,0,0,0|1,0,1]=4 4914 B14R1.520 C=C(CCO)COCc1ccccc1 Amb27394738 [0,2,0,0,0,0|0,0,1]=3 4915 B14R1.520 C=CCC(O)COCc1ccccc1 Amb28190615 [0,2,0,0,0,0|1,0,1]=4 4916 B14R1.520 C=CC[C@@H](N)COCc1ccccc1 Amb28368298 [0,2,0,0,0,0|1,0,1]=4 4917 B14R1.520 C=CC[C@H](N)COCc1ccccc1 Amb27407003 [0,2,0,0,0,0|1,0,1]=4 4918 B14R1.520 CC(CC#N)COCc1ccccc1 Amb27171216 [0,2,0,0,0,0|1,0,1]=4 4919 B14R1.520 CC(CCO)COCc1ccccc1 Amb28188931 [0,2,0,0,0,0|0,0,0]=2 4920 B14R1.520 CCCC(=O)CNCc1ccccc1 Amb33308018 [0,2,0,0,0,0|1,0,1]=4 4921 B14R1.520 CCCC(=O)COCc1ccccc1 Amb19078959 [0,2,0,0,0,0|1,0,1]=4 4922 B14R1.520 CCCC(=O)CSCc1ccccc1 Amb32683101 [0,2,0,0,0,0|1,0,1]=4 4923 B14R1.520 CCCC(C)CNCc1cccnc1 Amb6729959 [0,2,0,0,0,0|2,0,0]=4 4924 B14R1.520 CCCC(C)NCCc1ccccn1 Amb6694519 [0,2,0,0,0,0|2,0,0]=4 4925 B14R1.520 CCCC(C)NOCc1ccccc1 Amb27832202 [0,2,0,0,0,0|2,0,0]=4 4926 B14R1.520 CCCC(N)CC#Cc1ccccc1 Amb30029542 [0,2,0,0,0,0|1,0,1]=4 4927 B14R1.520 CCCC(N)CCSc1ccccc1 Amb13881554 [0,2,0,0,0,0|1,0,0]=3 4928 B14R1.520 CCCC(O)CNCc1ccccc1 Amb8630578 [0,2,0,0,0,0|1,0,0]=3 4929 B14R1.520 CCC[C@@H](N)CNCc1ccccc1 Amb27610466 [0,2,0,0,0,0|1,0,0]=3 4930 B14R1.520 CCC[C@H](N)COCc1ccccc1 Amb27849982 [0,2,0,0,0,0|1,0,0]=3 4931 B14R1.520 CCNC(C)COCc1ccccc1 Amb19079607 [0,2,0,0,0,0|2,0,0]=4 4932 B14R1.520 CCOC(=O)CCCc1ccccc1 Amb3939013 [0,2,0,0,0,0|1,0,1]=4 4933 B14R1.520 CN(CCN)CCCc1ccccc1 Amb8956756 [0,2,0,0,0,0|1,0,0]=3 4934 B14R1.520 CN(CCN)CCOc1ccccc1 Amb19062782 [0,2,0,0,0,0|2,0,0]=4 4935 B14R1.520 CN(CCO)CCCc1ccccc1 Amb17336738 [0,2,0,0,0,0|0,0,0]=2 4936 B14R1.520 CN(CCO)CCOc1ccccc1 Amb19080732 [0,2,0,0,0,0|1,0,0]=3 4937 B14R1.520 CNCC(O)COCc1ccccc1 Amb9741139 [0,2,0,0,0,0|2,0,0]=4 4938 B14R1.520 COCC(=O)CCCc1ccccc1 Amb19073932 [0,2,0,0,0,0|0,0,1]=3 4939 B14R1.520 COCC(=O)CNCc1ccccc1 Amb33130886 [0,2,0,0,0,0|1,0,1]=4 4940 B14R1.520 COCC(=O)CSCc1ccccc1 Amb32683203 [0,2,0,0,0,0|1,0,1]=4 4941 B14R1.520 COCC(C)NCCc1ccccc1 Amb6689549 [0,2,0,0,0,0|1,0,0]=3 4942 B14R1.520 COCC(C)NCCc1ccccn1 Amb19080164 [0,2,0,0,0,0|2,0,0]=4 4943 B14R1.520 COCC(N)CCCc1ccccc1 Amb19062066 [0,2,0,0,0,0|0,0,0]=2 4944 B14R1.520 COCC(N)COCc1ccccc1 Amb28071645 [0,2,0,0,0,0|1,0,0]=3 4945 B14R1.520 COCC(O)CCCc1ccccc1 Amb18324748 [0,2,0,0,0,0|0,0,0]=2 4946 B14R1.520 COC[C@@H](O)COCc1ccccc1 Amb27977834 [0,2,0,0,0,0|1,0,0]=3 4947 B14R1.520 CSCC(=O)CCCc1ccccc1 Amb33129304 [0,2,0,0,0,0|0,1,1]=4 4948 B14R1.520 CSCC(C)CNCc1ccccc1 Amb28324745 [0,2,0,0,0,0|1,1,0]=4 4949 B14R1.520 CSCC(N)CCCc1ccccc1 Amb33129325 [0,2,0,0,0,0|0,1,0]=3 4950 B14R1.520 C[C@@H](CC=O)COCc1ccccc1 Amb27588011 [0,2,0,0,0,0|0,0,2]=4 4951 B14R1.520 C\C(=C\CO)COCc1ccccc1 Amb26050116 [0,2,0,0,0,0|0,0,2]=4 4952 B14R1.520 N#CC[C@H](O)COCc1ccccc1 Amb27756443 [0,2,0,0,0,0|1,0,1]=4 4953 B14R1.520 NC(CCO)CNCc1ccccc1 Amb28293146 [0,2,0,0,0,0|0,0,0]=2 4954 B14R1.520 NCCC(=O)NCCc1ccccc1 Amb1131212 [0,2,0,0,0,0|1,0,1]=4 4955 B14R1.520 NCCC(=O)NCCc1ccccc1 Amb15741009 [0,2,0,0,0,0|1,0,1]=4 4956 B14R1.520 NCCC(O)COCc1ccccc1 Amb24378045 [0,2,0,0,0,0|1,0,0]=3 4957 B14R1.520 NCCC(O)COCc1ccccc1 Amb32752756 [0,2,0,0,0,0|1,0,0]=3 4958 B14R1.520 NCC[C@@H](O)COCc1ccccc1 Amb32670886 [0,2,0,0,0,0|1,0,0]=3 4959 B14R1.520 NCC[C@@H](O)COCc1ccccc1 Amb32670892 [0,2,0,0,0,0|1,0,0]=3 4960 B14R1.520 NCC[C@H](O)COCc1ccccc1 Amb32670890 [0,2,0,0,0,0|1,0,0]=3 4961 B14R1.520 NCC[C@H](O)COCc1ccccc1 Amb32670891 [0,2,0,0,0,0|1,0,0]=3 4962 B14R1.520 N[C@H](CCO)CNCc1ccccc1 Amb28122688 [0,2,0,0,0,0|0,0,0]=2 4963 B14R1.520 O=C(CCBr)NCCc1ccccc1 Amb17324032 [0,2,0,0,0,0|1,0,1]=4 4964 B14R1.520 O=C(CCCl)NCCc1ccccc1 Amb33543242 [0,2,0,0,0,0|1,0,1]=4 4965 B14R1.520 OCCC(O)COCc1ccccc1 Amb24065839 [0,2,0,0,0,0|0,0,0]=2 4966 B14R1.520 OCC[C@@H](O)COCc1ccccc1 Amb24323500 [0,2,0,0,0,0|0,0,0]=2 4967 B14R1.520 OCC[C@H](O)COCc1ccccc1 Amb27453673 [0,2,0,0,0,0|0,0,0]=2 4968 B14R1.716 C#CC(O)CCC#Cc1ccccc1 Amb27589002 [0,2,0,0,0,0|0,0,2]=4 4969 B14R1.716 C=C[C@@H](N)CCOCc1ccccc1 Amb27986133 [0,2,0,0,0,0|1,0,1]=4 4970 B14R1.716 C=C[C@@H](O)CCOCc1ccccc1 Amb27764945 [0,2,0,0,0,0|1,0,0]=3 4971 B14R1.716 C=C[C@H](O)CCOCc1ccccc1 Amb27478724 [0,2,0,0,0,0|1,0,0]=3 4972 B14R1.716 CC(CBr)CCOCc1ccccc1 Amb25315032 [0,2,0,0,0,0|1,0,0]=3 4973 B14R1.716 CC(CCl)CCOCc1ccccc1 Amb27975499 [0,2,0,0,0,0|1,0,0]=3 4974 B14R1.716 CC(CN)NCCCc1ccccc1 Amb24119035 [0,2,0,0,0,0|1,0,0]=3 4975 B14R1.716 CC(CN)SCOCc1ccccc1 Amb27222225 [0,2,0,0,0,0|2,0,0]=4 4976 B14R1.716 CC(CO)CCOCc1ccccc1 Amb27808768 [0,2,0,0,0,0|0,0,0]=2 4977 B14R1.716 CC(CO)SCC#Cc1ccccc1 Amb27189091 [0,2,0,0,0,0|0,0,2]=4 4978 B14R1.716 CCC(=O)CCCSc1ccccc1 Amb32682990 [0,2,0,0,0,0|1,0,1]=4 4979 B14R1.716 CCC(=O)CCNCc1ccccc1 Amb25040589 [0,2,0,0,0,0|1,0,1]=4 4980 B14R1.716 CCC(C)CCNCc1ccccc1 Amb27392700 [0,2,0,0,0,0|1,0,0]=3 4981 B14R1.716 CCC(C)CNCCc1ccccn1 Amb6720744 [0,2,0,0,0,0|2,0,0]=4 4982 B14R1.716 CCC(C)COCCc1ccccc1 Amb24100310 [0,2,0,0,0,0|1,0,0]=3 4983 B14R1.716 CCC(C)NCCCc1ccccc1 Amb20673663 [0,2,0,0,0,0|1,0,0]=3 4984 B14R1.716 CCC(C)NCCCc1ccccc1 Amb9749932 [0,2,0,0,0,0|1,0,0]=3 4985 B14R1.716 CCC(Cl)CCNCc1ccccc1 Amb27406390 [0,2,0,0,0,0|1,0,0]=3 4986 B14R1.716 CCC(N)CCNCc1ccccc1 Amb27649623 [0,2,0,0,0,0|1,0,0]=3 4987 B14R1.716 CCC(N)CCOCc1ccccc1 Amb28423127 [0,2,0,0,0,0|1,0,0]=3 4988 B14R1.716 CCN(C)CCNCc1ccccc1 Amb19079144 [0,2,0,0,0,0|2,0,0]=4 4989 B14R1.716 CCS(=O)CCNCc1ccccc1 Amb28255222 [0,2,0,0,0,0|2,0,0]=4 4990 B14R1.716 CC[C@@H](O)C#CCCc1ccccc1 Amb28206210 [0,2,0,0,0,0|0,0,2]=4 4991 B14R1.716 CC[C@@H](O)CNOCc1ccccc1 Amb27425649 [0,2,0,0,0,0|2,0,0]=4 4992 B14R1.716 CC[C@H](O)C#CCCc1ccccc1 Amb28292204 [0,2,0,0,0,0|0,0,2]=4 4993 B14R1.716 COC(=N)CCOCc1ccccc1 Amb27444424 [0,2,0,0,0,0|1,0,1]=4 4994 B14R1.716 COC(=O)CCCCc1ccccc1 Amb8392132 [0,2,0,0,0,0|0,0,1]=3 4995 B14R1.716 COC(=O)CCCCc1ccccn1 Amb24113266 [0,2,0,0,0,0|1,0,1]=4 4996 B14R1.716 COC(=O)CCCSc1ccccc1 Amb8950459 [0,2,0,0,0,0|1,0,1]=4 4997 B14R1.716 COC(=O)CCNCc1ccccc1 Amb288483 [0,2,0,0,0,0|1,0,1]=4 4998 B14R1.716 COC(=O)CCNCc1ccccc1 Amb996333 [0,2,0,0,0,0|1,0,1]=4 4999 B14R1.716 COC(=O)CCOCc1ccccc1 Amb7773811 [0,2,0,0,0,0|1,0,1]=4 5000 B14R1.716 COC(=O)CNCCc1ccccc1 Amb6686977 [0,2,0,0,0,0|1,0,1]=4 5001 B14R1.716 COC(C)CCCNc1ccccc1 Amb33133292 [0,2,0,0,0,0|1,0,0]=3 5002 B14R1.716 CSC(C)CCNCc1ccccc1 Amb27666659 [0,2,0,0,0,0|1,1,0]=4 5003 B14R1.716 C[C@@H](C=O)CCOCc1ccccc1 Amb27957589 [0,2,0,0,0,0|0,0,2]=4 5004 B14R1.716 C[C@@H](CO)CCOCc1ccccc1 Amb28065208 [0,2,0,0,0,0|0,0,0]=2 5005 B14R1.716 C[C@H](CO)CCOCc1ccccc1 Amb27808769 [0,2,0,0,0,0|0,0,0]=2 5006 B14R1.716 C\C(=C\COCc1ccccc1)CO Amb27827297 [0,2,0,0,0,0|0,0,2]=4 5007 B14R1.716 C\C(CCNCc1ccccc1)=N/O Amb27483946 [0,2,0,0,0,0|1,0,1]=4 5008 B14R1.716 NCC(=O)NCCCc1ccccc1 Amb5783138 [0,2,0,0,0,0|1,0,1]=4 5009 B14R1.716 NCC(O)CCOCc1ccccc1 Amb28129762 [0,2,0,0,0,0|1,0,0]=3 5010 B14R1.716 N\C(CCNCc1ccccc1)=N/O Amb24109264 [0,2,0,0,0,0|1,0,1]=4 5011 B14R1.716 N\C(CCOCc1ccccc1)=N/O Amb6257061 [0,2,0,0,0,0|1,0,1]=4 5012 B14R1.716 O=C(CBr)NCCCc1ccccc1 Amb17323643 [0,2,0,0,0,0|1,0,1]=4 5013 B14R1.716 O=C(CCl)NCCCc1ccccc1 Amb1103589 [0,2,0,0,0,0|1,0,1]=4 5014 B14R1.716 O=C(CCl)OCCCc1ccccc1 Amb3372153 [0,2,0,0,0,0|1,0,1]=4 5015 B14R1.716 O=C(CO)CCOCc1ccccc1 Amb28139815 [0,2,0,0,0,0|0,0,1]=3 5016 B14R1.716 O=C[C@H](Cl)CCOCc1ccccc1 Amb27827408 [0,2,0,0,0,0|0,0,2]=4 5017 B14R1.716 OCC(O)CCOCc1ccccc1 Amb26361881 [0,2,0,0,0,0|0,0,0]=2 5018 B14R1.716 OC[C@@H](Cl)CCOCc1ccccc1 Amb27830138 [0,2,0,0,0,0|0,0,0]=2 5019 B14R1.716 OC[C@@H](O)CCOCc1ccccc1 Amb24323432 [0,2,0,0,0,0|0,0,0]=2 5020 B14R1.716 OC[C@H](Cl)CCOCc1ccccc1 Amb27224812 [0,2,0,0,0,0|0,0,0]=2 5021 B14R1.716 OC[C@H](O)CCOCc1ccccc1 Amb24614001 [0,2,0,0,0,0|0,0,0]=2 5022 B14R1.716 OC\C(F)=C\COCc1ccccc1 Amb27484682 [0,2,0,0,0,0|0,0,2]=4 5023 B14R1.882 CCCCC#CCc1ccccc1O Amb28253687 [0,2,0,0,0,0|1,0,1]=4 5024 B14R1.882 CCCCCCNc1ccncc1N Amb17094085 [0,2,0,0,0,0|2,0,0]=4 5025 B14R1.882 CCCCCCNc1ncccc1N Amb17067312 [0,2,0,0,0,0|2,0,0]=4 5026 B14R1.882 CCCCCCOc1ccccc1Br Amb7794835 [0,2,0,0,0,0|1,0,0]=3 5027 B14R1.882 CCCCCCOc1ccccc1N Amb840075 [0,2,0,0,0,0|1,0,0]=3 5028 B14R1.882 CCCCCCOc1cccnc1N Amb7794203 [0,2,0,0,0,0|2,0,0]=4 5029 B14R1.882 CCCCCCOc1ncccc1N Amb7790190 [0,2,0,0,0,0|2,0,0]=4 5030 B14R1.882 CCCCCCSc1ccccc1N Amb7794931 [0,2,0,0,0,0|1,0,0]=3 5031 B14R1.882 CCCCCNCc1ccccc1Br Amb6688197 [0,2,0,0,0,0|1,0,0]=3 5032 B14R1.882 CCCCCNCc1ccccc1C Amb6688072 [0,2,0,0,0,0|1,0,0]=3 5033 B14R1.882 CCCCCNCc1ccccc1Cl Amb6688060 [0,2,0,0,0,0|1,0,0]=3 5034 B14R1.882 CCCCCNCc1ccccc1F Amb10825135 [0,2,0,0,0,0|1,0,0]=3 5035 B14R1.882 CCCCCNCc1ccccc1F Amb1934180 [0,2,0,0,0,0|1,0,0]=3 5036 B14R1.882 CCCCCNCc1ccccc1O Amb6688100 [0,2,0,0,0,0|1,0,0]=3 5037 B14R1.882 CCCCCNCc1cccnc1Cl Amb29848220 [0,2,0,0,0,0|2,0,0]=4 5038 B14R1.882 CCCNCCOc1ccccc1Cl Amb7761189 [0,2,0,0,0,0|2,0,0]=4 5039 B14R1.882 CCNCCCOc1ccccc1Br Amb7798221 [0,2,0,0,0,0|2,0,0]=4 5040 B14R1.882 CCNCCCOc1ccccc1F Amb7798485 [0,2,0,0,0,0|2,0,0]=4 5041 B14R1.882 CCOCCNCc1ccccc1Br Amb9454195 [0,2,0,0,0,0|2,0,0]=4 5042 B14R1.882 CCOCCNCc1ccccc1C Amb9258829 [0,2,0,0,0,0|2,0,0]=4 5043 B14R1.882 CCOCCNCc1ccccc1Cl Amb9241027 [0,2,0,0,0,0|2,0,0]=4 5044 B14R1.882 CCOCCNCc1ccccc1F Amb9241054 [0,2,0,0,0,0|2,0,0]=4 5045 B14R1.882 CCOCCNCc1ccccc1O Amb9454159 [0,2,0,0,0,0|2,0,0]=4 5046 B14R1.882 CNCCCCOc1ccccc1C Amb17309032 [0,2,0,0,0,0|2,0,0]=4 5047 B14R1.882 CNCCCNCc1ccccc1C Amb22532747 [0,2,0,0,0,0|2,0,0]=4 5048 B14R1.882 CNCCCNCc1ccccc1Cl Amb22532742 [0,2,0,0,0,0|2,0,0]=4 5049 B14R1.882 CNCCCNCc1ccccc1F Amb22532746 [0,2,0,0,0,0|2,0,0]=4 5050 B14R1.882 COCCCC#Cc1ccccc1N Amb28196407 [0,2,0,0,0,0|0,0,2]=4 5051 B14R1.882 COCCCNCc1ccccc1Br Amb6730332 [0,2,0,0,0,0|1,0,0]=3 5052 B14R1.882 COCCCNCc1ccccc1C Amb875946 [0,2,0,0,0,0|1,0,0]=3 5053 B14R1.882 COCCCNCc1ccccc1Cl Amb875910 [0,2,0,0,0,0|1,0,0]=3 5054 B14R1.882 COCCCNCc1ccccc1F Amb875937 [0,2,0,0,0,0|1,0,0]=3 5055 B14R1.882 COCCCNCc1ccccc1O Amb6730199 [0,2,0,0,0,0|1,0,0]=3 5056 B14R1.882 CSCCCNCc1ccccc1Br Amb33044527 [0,2,0,0,0,0|1,1,0]=4 5057 B14R1.882 CSCCCNCc1ccccc1C Amb33212718 [0,2,0,0,0,0|1,1,0]=4 5058 B14R1.882 CSCCCNCc1ccccc1Cl Amb6720460 [0,2,0,0,0,0|1,1,0]=4 5059 B14R1.882 CSCCCNCc1ccccc1F Amb6721331 [0,2,0,0,0,0|1,1,0]=4 5060 B14R1.882 Cc1ccccc1C#CCCCCN Amb27746833 [0,2,0,0,0,0|1,0,1]=4 5061 B14R1.882 Cc1ccccc1CCNCCCN Amb31094287 [0,2,0,0,0,0|1,0,0]=3 5062 B14R1.882 Cc1ccccc1CSCCCCN Amb17500933 [0,2,0,0,0,0|1,0,0]=3 5063 B14R1.882 Cc1ccccc1OCCCCC#N Amb17210547 [0,2,0,0,0,0|1,0,1]=4 5064 B14R1.882 Cc1ccccc1OCCNCCO Amb9784000 [0,2,0,0,0,0|1,0,0]=3 5065 B14R1.882 NCCCCC#Cc1ccccc1F Amb28043449 [0,2,0,0,0,0|1,0,1]=4 5066 B14R1.882 NCCCCCOc1ccccc1Cl Amb17241596 [0,2,0,0,0,0|1,0,0]=3 5067 B14R1.882 NCCCCCOc1ccccc1Cl Amb32662099 [0,2,0,0,0,0|1,0,0]=3 5068 B14R1.882 NCCCCCOc1ccccc1F Amb17236604 [0,2,0,0,0,0|1,0,0]=3 5069 B14R1.882 NCCCCCOc1ccccc1F Amb32662098 [0,2,0,0,0,0|1,0,0]=3 5070 B14R1.882 NCCCCSCc1ccccc1Cl Amb17500923 [0,2,0,0,0,0|1,0,0]=3 5071 B14R1.882 NCCCCSCc1ccccc1F Amb17500932 [0,2,0,0,0,0|1,0,0]=3 5072 B14R1.882 NCCCNCCc1ccccc1Cl Amb31094294 [0,2,0,0,0,0|1,0,0]=3 5073 B14R1.882 NCCCNCCc1ccccc1F Amb31094291 [0,2,0,0,0,0|1,0,0]=3 5074 B14R1.882 NCCOCCOc1ccccc1F Amb17236911 [0,2,0,0,0,0|2,0,0]=4 5075 B14R1.882 NCCOCCOc1ccccc1F Amb32662200 [0,2,0,0,0,0|2,0,0]=4 5076 B14R1.882 Nc1cccnc1NCCCCCO Amb17067324 [0,2,0,0,0,0|1,0,0]=3 5077 B14R1.882 Nc1cccnc1NCCOCCO Amb17067320 [0,2,0,0,0,0|2,0,0]=4 5078 B14R1.882 OCCCCC#Cc1ccccc1O Amb28053872 [0,2,0,0,0,0|0,0,1]=3 5079 B14R1.882 OCCNCCOc1ccccc1Br Amb17146157 [0,2,0,0,0,0|1,0,0]=3 5080 B14R1.60 CC(CCN)N(C)Cc1ccccc1 Amb17101137 [0,2,0,0,0,0|2,0,0]=4 5081 B14R1.60 CN(CCO)C(=O)Cc1ccccc1 Amb2439745 [0,2,0,0,0,0|1,0,1]=4 5082 B14R1.60 CN(Cc1ccccc1)C(=O)CCO Amb17336607 [0,2,0,0,0,0|1,0,1]=4 5083 B14R1.60 C\C(=C/c1ccccc1)C(N)CCO Amb33506734 [0,2,0,0,0,0|0,0,2]=4 5084 B14R1.598 CCCC(C)NCc1ccccc1O Amb9731669 [0,2,0,0,0,0|2,0,0]=4 5085 B14R1.598 CN(CCN)CCc1ccccc1Cl Amb31172752 [0,2,0,0,0,0|2,0,0]=4 5086 B14R1.598 CN(CCN)CCc1ccccc1F Amb17337115 [0,2,0,0,0,0|2,0,0]=4 5087 B14R1.598 CN(CCO)CCc1ccccc1Cl Amb31172828 [0,2,0,0,0,0|1,0,0]=3 5088 B14R1.598 CN(CCO)CCc1ccccc1F Amb17337205 [0,2,0,0,0,0|1,0,0]=3 5089 B14R1.598 Cc1ccccc1CCC(O)CC#N Amb17234675 [0,2,0,0,0,0|1,0,1]=4 5090 B14R1.598 Cc1ccccc1CCN(C)CCN Amb31172748 [0,2,0,0,0,0|2,0,0]=4 5091 B14R1.598 Cc1ccccc1CCN(C)CCO Amb31172824 [0,2,0,0,0,0|1,0,0]=3 5092 B14R1.598 N#CCC(O)CCc1ccccc1Cl Amb17240442 [0,2,0,0,0,0|1,0,1]=4 5093 B14R1.598 N#CCC(O)CCc1ccccc1F Amb17235573 [0,2,0,0,0,0|1,0,1]=4 5094 B14R1.756 CC(OCc1ccccc1)C(N)CO Amb27481504 [0,2,0,0,0,0|1,0,0]=3 5095 B14R1.756 CC(OCc1ccccc1)[C@H](N)CO Amb26979708 [0,2,0,0,0,0|1,0,0]=3 5096 B14R1.756 CCC(C)C(C)NCc1ccccc1 Amb6719960 [0,2,0,0,0,0|2,0,0]=4 5097 B14R1.756 CCC(C)C(N)CSc1ccccc1 Amb22642757 [0,2,0,0,0,0|2,0,0]=4 5098 B14R1.756 CCC(C)C(N)CSc1ccccc1 Amb32662454 [0,2,0,0,0,0|2,0,0]=4 5099 B14R1.756 CC[C@@H](N)[C@H](C)OCc1ccccc1 Amb27818049 [0,2,0,0,0,0|2,0,0]=4 5100 B14R1.756 CN(CCc1ccccc1)C(=O)CO Amb17401768 [0,2,0,0,0,0|1,0,1]=4 5101 B14R1.756 C[C@@H](CO)[C@@H](C)OCc1ccccc1 Amb27399653 [0,2,0,0,0,0|1,0,0]=3 5102 B14R1.756 C[C@@H](CO)[C@H](O)C#Cc1ccccc1 Amb28292114 [0,2,0,0,0,0|0,0,2]=4 5103 B14R1.756 C[C@@H](OCc1ccccc1)C(O)CO Amb28314739 [0,2,0,0,0,0|1,0,0]=3 5104 B14R1.756 C[C@@H](OCc1ccccc1)[C@H](N)CO Amb10844938 [0,2,0,0,0,0|1,0,0]=3 5105 B14R1.756 C[C@@H](OCc1ccccc1)[C@H](N)CO Amb22388557 [0,2,0,0,0,0|1,0,0]=3 5106 B14R1.756 C[C@@H](OCc1ccccc1)[C@H](O)CO Amb28192265 [0,2,0,0,0,0|1,0,0]=3 5107 B14R1.756 C[C@H](CO)[C@H](O)C#Cc1ccccc1 Amb27169926 [0,2,0,0,0,0|0,0,2]=4 5108 B14R1.756 C[C@H](OCc1ccccc1)C(O)CCl Amb28190770 [0,2,0,0,0,0|2,0,0]=4 5109 B14R1.756 C[C@H](OCc1ccccc1)[C@H](C)CO Amb28369989 [0,2,0,0,0,0|1,0,0]=3 5110 B14R1.756 NC(CO)C(=O)NCc1ccccc1 Amb27955269 [0,2,0,0,0,0|1,0,1]=4 5111 B14R1.756 NC(CO)C(=O)OCc1ccccc1 Amb3375750 [0,2,0,0,0,0|1,0,1]=4 5112 B14R1.756 NC(CO)C(=O)OCc1ccccc1 Amb614483 [0,2,0,0,0,0|1,0,1]=4 5113 B14R1.756 N[C@@H](CO)C(=O)NCc1ccccc1 Amb26538849 [0,2,0,0,0,0|1,0,1]=4 5114 B14R1.756 N[C@@H](CO)C(=O)OCc1ccccc1 Amb16231701 [0,2,0,0,0,0|1,0,1]=4 5115 B14R1.756 N[C@@H](CO)C(=O)OCc1ccccc1 Amb3940068 [0,2,0,0,0,0|1,0,1]=4 5116 B14R1.756 N[C@H](CO)C(=O)NCc1ccccc1 Amb27407101 [0,2,0,0,0,0|1,0,1]=4 5117 B14R1.756 N[C@H](CO)C(=O)OCc1ccccc1 Amb22230607 [0,2,0,0,0,0|1,0,1]=4 5118 B14R1.756 N[C@H](CO)C(=O)OCc1ccccc1 Amb27423013 [0,2,0,0,0,0|1,0,1]=4 5119 B14R1.756 O=C(NCc1ccccc1)C(O)CO Amb26897425 [0,2,0,0,0,0|1,0,1]=4 5120 B14R1.756 O=C(NCc1ccccc1)[C@@H](O)CO Amb25725928 [0,2,0,0,0,0|1,0,1]=4 5121 B14R1.756 O=C(NCc1ccccc1)[C@H](O)CO Amb25766512 [0,2,0,0,0,0|1,0,1]=4 5122 B14R1.756 O=C(OCc1ccccc1)C(O)CO Amb22899015 [0,2,0,0,0,0|1,0,1]=4 5123 B14R1.756 O=C(OCc1ccccc1)[C@@H](O)CO Amb27827518 [0,2,0,0,0,0|1,0,1]=4 5124 B14R1.756 OCC(O)C(O)\C=N\c1ccccc1 Amb24101085 [0,2,0,0,0,0|1,0,1]=4 5125 B14R1.756 [NH3+]C(CO)C(=O)OCc1ccccc1 Amb4241514 [0,2,0,0,0,0|1,0,1]=4 5126 B14R1.818 CC(C)CC(=O)CCc1ccccc1 Amb3940664 [0,2,0,0,0,0|1,0,1]=4 5127 B14R1.818 CC(C)CC(C)NCc1ccccc1 Amb2899828 [0,2,0,0,0,0|2,0,0]=4 5128 B14R1.818 CC(C)NC(C)CCc1ccccc1 Amb6685419 [0,2,0,0,0,0|2,0,0]=4 5129 B14R1.818 CC(CC(=O)O)NCc1ccccc1 Amb6357298 [0,2,0,0,0,0|1,0,1]=4 5130 B14R1.818 CC(CC(F)F)NCc1ccccc1 Amb27267671 [0,2,0,0,0,0|2,0,0]=4 5131 B14R1.818 CC(CCc1ccccc1)CC(=O)O Amb6749216 [0,2,0,0,0,0|0,0,1]=3 5132 B14R1.818 CC(C[C@H](C)O)OCc1ccccc1 Amb27766622 [0,2,0,0,0,0|1,0,0]=3 5133 B14R1.818 CC(N)CC(C)OCc1ccccc1 Amb27668717 [0,2,0,0,0,0|2,0,0]=4 5134 B14R1.818 CC(O)CC(=O)NCc1ccccc1 Amb28287743 [0,2,0,0,0,0|1,0,1]=4 5135 B14R1.818 CN(CCc1ccccc1)CC(=O)O Amb28653100 [0,2,0,0,0,0|1,0,1]=4 5136 B14R1.818 CN(CCc1ccccc1)CC(=O)O Amb9301012 [0,2,0,0,0,0|1,0,1]=4 5137 B14R1.818 C[C@@H](CC(=O)O)NCc1ccccc1 Amb25124067 [0,2,0,0,0,0|1,0,1]=4 5138 B14R1.818 C[C@@H](CC(=O)O)OCc1ccccc1 Amb24335959 [0,2,0,0,0,0|1,0,1]=4 5139 B14R1.818 C[C@@H](C[C@@H](C)O)OCc1ccccc1 Amb27219531 [0,2,0,0,0,0|1,0,0]=3 5140 B14R1.818 C[C@H](O)C[C@H](C)OCc1ccccc1 Amb28400735 [0,2,0,0,0,0|1,0,0]=3 5141 B14R1.818 NC(CCc1ccccc1)CC(=O)O Amb1993736 [0,2,0,0,0,0|0,0,1]=3 5142 B14R1.818 NC(CCc1ccccc1)CC(=O)O Amb30117911 [0,2,0,0,0,0|0,0,1]=3 5143 B14R1.818 N[C@@H](CCc1ccccc1)CC(=O)O Amb19887670 [0,2,0,0,0,0|0,0,1]=3 5144 B14R1.818 N[C@@H](CCc1ccccc1)CC(=O)O Amb22746249 [0,2,0,0,0,0|0,0,1]=3 5145 B14R1.818 N[C@H](CCc1ccccc1)CC(=O)O Amb16231748 [0,2,0,0,0,0|0,0,1]=3 5146 B14R1.818 N[C@H](CCc1ccccc1)CC(=O)O Amb19888418 [0,2,0,0,0,0|0,0,1]=3 5147 B14R1.979 C#C[C@H](CCO)OCc1ccccc1 Amb27835153 [0,2,0,0,0,0|1,0,0]=3 5148 B14R1.979 C=CC(CCO)OCc1ccccc1 Amb27833683 [0,2,0,0,0,0|1,0,0]=3 5149 B14R1.979 C=C[C@@H](CCC)NCc1ccccc1 Amb27757896 [0,2,0,0,0,0|2,0,0]=4 5150 B14R1.979 CCC(C#Cc1ccccc1)CCO Amb27853508 [0,2,0,0,0,0|0,0,2]=4 5151 B14R1.979 CCC(CCCl)NCc1ccccc1 Amb28130883 [0,2,0,0,0,0|2,0,0]=4 5152 B14R1.979 CCC(CCO)OCc1ccccc1 Amb27432282 [0,2,0,0,0,0|1,0,0]=3 5153 B14R1.979 CCCC(C#N)NCc1ccccc1 Amb19060042 [0,2,0,0,0,0|2,0,0]=4 5154 B14R1.979 CCCC(C=O)NCc1ccccc1 Amb27773977 [0,2,0,0,0,0|2,0,0]=4 5155 B14R1.979 CCCC(C=O)OCc1ccccc1 Amb28252382 [0,2,0,0,0,0|2,0,0]=4 5156 B14R1.979 CCCC(CN)NCc1ccccc1 Amb27634715 [0,2,0,0,0,0|2,0,0]=4 5157 B14R1.979 CCCC(CO)OCc1ccccc1 Amb27772866 [0,2,0,0,0,0|2,0,0]=4 5158 B14R1.979 CC[C@@H](C#Cc1ccccc1)CCO Amb27980542 [0,2,0,0,0,0|0,0,2]=4 5159 B14R1.979 CC[C@H](CCO)OCc1ccccc1 Amb27197180 [0,2,0,0,0,0|1,0,0]=3 5160 B14R1.979 OCC[C@H](CO)OCc1ccccc1 Amb28077735 [0,2,0,0,0,0|1,0,0]=3 5161 B14R1.6829 CC(C)(CCCl)NCc1ccccc1 Amb27876186 [0,2,0,0,0,0|2,0,0]=4 5162 B14R1.6829 CC(C)(CCS)NCc1ccccc1 Amb27816310 [0,2,0,0,0,0|1,1,0]=4 5163 B14R1.6829 NCCS(=O)(=O)CCc1ccccc1 Amb17471472 [0,2,0,0,0,0|2,0,0]=4 5164 B14R1.6829 NCCS(=O)(=O)CCc1ccccc1 Amb32652061 [0,2,0,0,0,0|2,0,0]=4 5165 B14R1.6829 O=S(=O)(CCO)NCc1ccccc1 Amb33549409 [0,2,0,0,0,0|2,0,0]=4 5166 B14R1.6829 OCCC(F)(F)\C=C\c1ccccc1 Amb33080775 [0,2,0,0,0,0|0,0,2]=4 5167 B14R1.423 CC(C)CCC(C)Nc1ccccc1 Amb6685183 [0,2,0,0,0,0|2,0,0]=4 5168 B14R1.423 CC(CCC(=O)O)Cc1ccccc1 Amb5718197 [0,2,0,0,0,0|0,0,1]=3 5169 B14R1.423 CC(Cc1ccccc1)NCC(=O)O Amb19042074 [0,2,0,0,0,0|1,0,1]=4 5170 B14R1.423 CC(Cc1ccccc1)NCC(=O)O Amb4453185 [0,2,0,0,0,0|1,0,1]=4 5171 B14R1.423 CC(O)CCC(=O)Nc1ccccc1 Amb17336624 [0,2,0,0,0,0|1,0,1]=4 5172 B14R1.423 CC(O)CCN(C)Cc1ccccc1 Amb19079596 [0,2,0,0,0,0|1,0,0]=3 5173 B14R1.423 CC(O)CNC(=O)Cc1ccccc1 Amb9244614 [0,2,0,0,0,0|1,0,1]=4 5174 B14R1.423 CN(CCC(=O)O)Cc1ccccc1 Amb15740934 [0,2,0,0,0,0|1,0,1]=4 5175 B14R1.423 CN(CCC(=O)O)Cc1ccccc1 Amb5775403 [0,2,0,0,0,0|1,0,1]=4 5176 B14R1.423 C\C(=C/c1ccccc1)CCC(C)O Amb33476722 [0,2,0,0,0,0|0,0,2]=4 5177 B14R1.423 C\C(=C/c1ccccc1)CC[C@@H](C)O Amb33476735 [0,2,0,0,0,0|0,0,2]=4 5178 B14R1.423 C\C(=C/c1ccccc1)CC[C@H](C)O Amb33476731 [0,2,0,0,0,0|0,0,2]=4 5179 B14R1.423 NC(CCC(=O)O)Cc1ccccc1 Amb28750738 [0,2,0,0,0,0|0,0,1]=3 5180 B14R1.423 NC(CCC(=O)O)Cc1ccccc1 Amb9782554 [0,2,0,0,0,0|0,0,1]=3 5181 B14R1.423 N[C@@H](CCC(=O)O)Cc1ccccc1 Amb33816442 [0,2,0,0,0,0|0,0,1]=3 5182 B14R1.467 CCC(Cc1ccccc1)NCCO Amb33363069 [0,2,0,0,0,0|1,0,0]=3 5183 B14R1.467 CCN(CCCBr)Cc1ccccc1 Amb28128815 [0,2,0,0,0,0|2,0,0]=4 5184 B14R1.467 CCN(CCCCl)Cc1ccccc1 Amb17339783 [0,2,0,0,0,0|2,0,0]=4 5185 B14R1.467 CCN(CCCN)Cc1ccccc1 Amb2721998 [0,2,0,0,0,0|2,0,0]=4 5186 B14R1.467 CCN(CCCO)Cc1ccccc1 Amb9246686 [0,2,0,0,0,0|1,0,0]=3 5187 B14R1.743 CC(CO)CN(C)Cc1ccccc1 Amb27454513 [0,2,0,0,0,0|1,0,0]=3 5188 B14R1.743 CC(CO)NC(=O)Cc1ccccc1 Amb9275901 [0,2,0,0,0,0|1,0,1]=4 5189 B14R1.743 CCC(N)CN(C)Cc1ccccc1 Amb9763903 [0,2,0,0,0,0|2,0,0]=4 5190 B14R1.743 CN(Cc1ccccc1)CC(N)CO Amb27228386 [0,2,0,0,0,0|1,0,0]=3 5191 B14R1.743 CN(Cc1ccccc1)CC(O)CCl Amb27872169 [0,2,0,0,0,0|2,0,0]=4 5192 B14R1.743 CN(Cc1ccccc1)CC(O)CN Amb6244730 [0,2,0,0,0,0|2,0,0]=4 5193 B14R1.743 C\C(=C/c1ccccc1)CC(N)CO Amb33476435 [0,2,0,0,0,0|0,0,2]=4 5194 B14R1.946 CC(CCCO)Nc1ccccc1Cl Amb21984581 [0,2,0,0,0,0|1,0,0]=3 5195 B14R1.946 CC(CCCO)Nc1ccccc1F Amb21984575 [0,2,0,0,0,0|1,0,0]=3 5196 B14R1.946 CCCCN(C)Cc1ccccc1Br Amb9173854 [0,2,0,0,0,0|2,0,0]=4 5197 B14R1.946 CCCCN(C)Cc1ccccc1N Amb6248814 [0,2,0,0,0,0|2,0,0]=4 5198 B14R1.946 CCCCN(C)Cc1ccccc1O Amb17511169 [0,2,0,0,0,0|2,0,0]=4 5199 B14R1.946 CN(CCCN)Cc1ccccc1Br Amb31172764 [0,2,0,0,0,0|2,0,0]=4 5200 B14R1.946 CN(CCCN)Cc1ccccc1Cl Amb17339915 [0,2,0,0,0,0|2,0,0]=4 5201 B14R1.946 CN(CCCN)Cc1ccccc1F Amb9438734 [0,2,0,0,0,0|2,0,0]=4 5202 B14R1.946 Cc1ccccc1CN(C)CCCN Amb6670575 [0,2,0,0,0,0|2,0,0]=4 5203 B14R1.946 Cc1ccccc1NC(=O)CCCO Amb17235617 [0,2,0,0,0,0|1,0,1]=4 5204 B14R1.946 Cc1ccccc1NC(C)CCCO Amb21984578 [0,2,0,0,0,0|1,0,0]=3 5205 B14R1.946 O=C(CCCO)Nc1ccccc1Br Amb17266145 [0,2,0,0,0,0|1,0,1]=4 5206 B14R1.946 O=C(CCCO)Nc1ccccc1Cl Amb17241540 [0,2,0,0,0,0|1,0,1]=4 5207 B14R1.946 O=C(CCCO)Nc1ccccc1F Amb17236545 [0,2,0,0,0,0|1,0,1]=4 5208 B14R1.946 O=C(CCCO)Nc1ccccc1I Amb27797908 [0,2,0,0,0,0|1,0,1]=4 5209 B14R1.946 O=C(CCCO)Nc1ccccc1O Amb27218732 [0,2,0,0,0,0|1,0,1]=4 5210 B14R1.4528 NCCCS(=O)(=O)Cc1ccccc1 Amb6272118 [0,2,0,0,0,0|2,0,0]=4 5211 B14R1.4528 O=S(=O)(CCCO)Cc1ccccc1 Amb17502923 [0,2,0,0,0,0|1,0,0]=3 5212 B14R1.159 CC(C)CCNCc1ccccc1Br Amb6692839 [0,2,0,0,0,0|2,0,0]=4 5213 B14R1.159 CC(C)CCNCc1ccccc1Cl Amb875911 [0,2,0,0,0,0|2,0,0]=4 5214 B14R1.159 CC(C)CCNCc1ccccc1F Amb875939 [0,2,0,0,0,0|2,0,0]=4 5215 B14R1.159 CC(C)CCNCc1ccccc1O Amb6692745 [0,2,0,0,0,0|2,0,0]=4 5216 B14R1.159 CC(C)CNCCc1ccccc1F Amb6693028 [0,2,0,0,0,0|2,0,0]=4 5217 B14R1.159 CC(O)CCNCc1ccccc1Br Amb33496519 [0,2,0,0,0,0|1,0,0]=3 5218 B14R1.159 CC(O)CCNCc1ccccc1Cl Amb33496504 [0,2,0,0,0,0|1,0,0]=3 5219 B14R1.159 CC(O)CCNCc1ccccc1F Amb33496509 [0,2,0,0,0,0|1,0,0]=3 5220 B14R1.159 CC(O)CCNCc1ccccc1O Amb33496497 [0,2,0,0,0,0|1,0,0]=3 5221 B14R1.159 Cc1cccc[n+]1CCCCC(=O)O Amb31127613 [0,2,0,0,0,0|1,0,1]=4 5222 B14R1.159 Cc1ccccc1CNCCC(=O)O Amb2372159 [0,2,0,0,0,0|1,0,1]=4 5223 B14R1.159 Cc1ccccc1CNCCC(C)O Amb33496506 [0,2,0,0,0,0|1,0,0]=3 5224 B14R1.159 Cc1ccccc1OCCCC(=O)O Amb844942 [0,2,0,0,0,0|1,0,1]=4 5225 B14R1.159 Cc1ccccc1SCCCC(=O)O Amb5768738 [0,2,0,0,0,0|1,0,1]=4 5226 B14R1.159 O=C(O)CCCCN1C=CC=CC1=O Amb18030499 [0,2,0,0,0,0|1,0,1]=4 5227 B14R1.159 O=C(O)CCCOc1ccccc1Br Amb5764199 [0,2,0,0,0,0|1,0,1]=4 5228 B14R1.159 O=C(O)CCCOc1ccccc1Cl Amb844943 [0,2,0,0,0,0|1,0,1]=4 5229 B14R1.159 O=C(O)CCCOc1ccccc1F Amb1950642 [0,2,0,0,0,0|1,0,1]=4 5230 B14R1.159 O=C(O)CCCSc1ccccc1Br Amb5772860 [0,2,0,0,0,0|1,0,1]=4 5231 B14R1.159 O=C(O)CCCSc1ccccc1Cl Amb5769932 [0,2,0,0,0,0|1,0,1]=4 5232 B14R1.159 O=C(O)CCNCc1ccccc1Cl Amb10187386 [0,2,0,0,0,0|1,0,1]=4 5233 B14R1.159 O=C(O)CCNCc1ccccc1Cl Amb1110577 [0,2,0,0,0,0|1,0,1]=4 5234 B14R1.159 O=C(O)CCNCc1ccccc1F Amb17758538 [0,2,0,0,0,0|1,0,1]=4 5235 B14R1.3331 CC(C)(C)CCNCc1ccccc1 Amb19078689 [0,2,0,0,0,0|2,0,0]=4 5236 B14R1.3331 CC(C)(N)CCNCc1ccccc1 Amb27486705 [0,2,0,0,0,0|2,0,0]=4 5237 B14R1.3331 CC(C)(O)CCNCc1ccccc1 Amb27165089 [0,2,0,0,0,0|1,0,0]=3 5238 B14R1.3331 CC(C)(O)CC\C=C\c1ccccc1 Amb18224851 [0,2,0,0,0,0|0,0,2]=4 5239 B14R1.3331 CC(C)(O)CNCCc1ccccc1 Amb17139425 [0,2,0,0,0,0|1,0,0]=3 5240 B14R1.3331 CC(C)(O)CNOCc1ccccc1 Amb27442395 [0,2,0,0,0,0|2,0,0]=4 5241 B14R1.3331 FC(F)(F)CCNCc1ccccc1 Amb24470404 [0,2,0,0,0,0|2,0,0]=4 5242 B14R1.3331 FC(F)(F)CNCCc1ccccc1 Amb22546441 [0,2,0,0,0,0|2,0,0]=4 5243 B14R1.3331 FC(F)(F)CNCCc1ccccc1 Amb6267672 [0,2,0,0,0,0|2,0,0]=4 5244 B14R1.3331 NS(=O)(=O)CCCCc1ccccc1 Amb32715396 [0,2,0,0,0,0|1,0,1]=4 5245 B14R1.3331 O=P(O)(O)CCCCc1ccccc1 Amb8629287 [0,2,0,0,0,0|1,0,0]=3 5246 B14R1.3331 O=P(O)(O)CCOCc1ccccc1 Amb22388754 [0,2,0,0,0,0|2,0,0]=4 5247 B14R1.3331 O=S(=O)(Cl)CCCCc1ccccc1 Amb18560100 [0,2,0,0,0,0|1,0,1]=4 5248 B14R1.6449 C=C(COCc1ccccc1)C(C)O Amb27605356 [0,2,0,0,0,0|1,0,1]=4 5249 B14R1.6449 C=C(COCc1ccccc1)[C@@H](C)O Amb28065829 [0,2,0,0,0,0|1,0,1]=4 5250 B14R1.6449 CC(C)C(C)NCCc1ccccc1 Amb2612138 [0,2,0,0,0,0|2,0,0]=4 5251 B14R1.6449 CC(C)C(N)CNCc1ccccc1 Amb33533598 [0,2,0,0,0,0|2,0,0]=4 5252 B14R1.6449 CC(C)C(O)CNCc1ccccc1 Amb8630595 [0,2,0,0,0,0|2,0,0]=4 5253 B14R1.6449 CC(C)C(O)COCc1ccccc1 Amb27604684 [0,2,0,0,0,0|2,0,0]=4 5254 B14R1.6449 CC(C)[C@@H](N)CNCc1ccccc1 Amb27865651 [0,2,0,0,0,0|2,0,0]=4 5255 B14R1.6449 CC(C)[C@@H](N)COCc1ccccc1 Amb18529664 [0,2,0,0,0,0|2,0,0]=4 5256 B14R1.6449 CC(C)[C@H](O)COCc1ccccc1 Amb27803852 [0,2,0,0,0,0|2,0,0]=4 5257 B14R1.6449 CC(CCCc1ccccc1)C(=O)O Amb17235376 [0,2,0,0,0,0|0,0,1]=3 5258 B14R1.6449 CC(CCOc1ccccc1)C(=O)O Amb17235913 [0,2,0,0,0,0|1,0,1]=4 5259 B14R1.6449 CC(CNCc1ccccc1)C(=O)O Amb20623866 [0,2,0,0,0,0|1,0,1]=4 5260 B14R1.6449 CC(CNCc1ccccc1)C(=O)O Amb9400318 [0,2,0,0,0,0|1,0,1]=4 5261 B14R1.6449 CC(COCc1ccccc1)C(=O)O Amb9399793 [0,2,0,0,0,0|1,0,1]=4 5262 B14R1.6449 CC(CSCc1ccccc1)C(=O)O Amb9400039 [0,2,0,0,0,0|1,0,1]=4 5263 B14R1.6449 CC(N)C(C)CNCc1ccccc1 Amb27264539 [0,2,0,0,0,0|2,0,0]=4 5264 B14R1.6449 CC(O)C(=O)NCCc1ccccc1 Amb17401758 [0,2,0,0,0,0|1,0,1]=4 5265 B14R1.6449 CC(O)C(C)COCc1ccccc1 Amb27457892 [0,2,0,0,0,0|1,0,0]=3 5266 B14R1.6449 CC(O)C(C)NOCc1ccccc1 Amb27870370 [0,2,0,0,0,0|2,0,0]=4 5267 B14R1.6449 CC(O)C(O)COCc1ccccc1 Amb27766517 [0,2,0,0,0,0|1,0,0]=3 5268 B14R1.6449 CC(O)[C@H](C)COCc1ccccc1 Amb27835977 [0,2,0,0,0,0|1,0,0]=3 5269 B14R1.6449 CC(OCCc1ccccc1)C(=O)O Amb7790062 [0,2,0,0,0,0|1,0,1]=4 5270 B14R1.6449 C[C@@H](COCc1ccccc1)[C@@H](C)O Amb28188192 [0,2,0,0,0,0|1,0,0]=3 5271 B14R1.6449 C[C@@H](O)[C@@H](O)COCc1ccccc1 Amb27651867 [0,2,0,0,0,0|1,0,0]=3 5272 B14R1.6449 C[C@@H](O)[C@H](O)COCc1ccccc1 Amb28281929 [0,2,0,0,0,0|1,0,0]=3 5273 B14R1.6449 C[C@H](O)C(=O)COCc1ccccc1 Amb27405244 [0,2,0,0,0,0|1,0,1]=4 5274 B14R1.6449 NC(CCCc1ccccc1)C(=O)O Amb19342362 [0,2,0,0,0,0|0,0,1]=3 5275 B14R1.6449 NC(CCCc1ccccc1)C(=O)O Amb9726682 [0,2,0,0,0,0|0,0,1]=3 5276 B14R1.6449 NC(CCOc1ccccc1)C(=O)O Amb32752690 [0,2,0,0,0,0|1,0,1]=4 5277 B14R1.6449 NC(CCOc1ccccc1)C(=O)O Amb33547968 [0,2,0,0,0,0|1,0,1]=4 5278 B14R1.6449 NC(CCSc1ccccc1)C(=O)O Amb28653163 [0,2,0,0,0,0|1,0,1]=4 5279 B14R1.6449 NC(CNCc1ccccc1)C(=O)O Amb26032867 [0,2,0,0,0,0|1,0,1]=4 5280 B14R1.6449 NC(CNCc1ccccc1)C(=O)O Amb28750769 [0,2,0,0,0,0|1,0,1]=4 5281 B14R1.6449 NC(COCc1ccccc1)C(=O)O Amb3941669 [0,2,0,0,0,0|1,0,1]=4 5282 B14R1.6449 NC(CSCc1ccccc1)C(=O)O Amb9726318 [0,2,0,0,0,0|1,0,1]=4 5283 B14R1.6449 N[C@@H](CCCc1ccccc1)C(=O)O Amb20241024 [0,2,0,0,0,0|0,0,1]=3 5284 B14R1.6449 N[C@@H](CCOc1ccccc1)C(=O)O Amb32667500 [0,2,0,0,0,0|1,0,1]=4 5285 B14R1.6449 N[C@@H](COCc1ccccc1)C(=O)O Amb2760730 [0,2,0,0,0,0|1,0,1]=4 5286 B14R1.6449 N[C@@H](COCc1ccccc1)C(=O)O Amb31289420 [0,2,0,0,0,0|1,0,1]=4 5287 B14R1.6449 N[C@@H](CSCc1ccccc1)C(=O)O Amb533304 [0,2,0,0,0,0|1,0,1]=4 5288 B14R1.6449 N[C@H](CCCc1ccccc1)C(=O)O Amb6295896 [0,2,0,0,0,0|0,0,1]=3 5289 B14R1.6449 N[C@H](CCOc1ccccc1)C(=O)O Amb32668011 [0,2,0,0,0,0|1,0,1]=4 5290 B14R1.6449 N[C@H](CCOc1ccccc1)C(=O)O Amb32668012 [0,2,0,0,0,0|1,0,1]=4 5291 B14R1.6449 N[C@H](CNCc1ccccc1)C(=O)O Amb8389449 [0,2,0,0,0,0|1,0,1]=4 5292 B14R1.6449 N[C@H](COCc1ccccc1)C(=O)O Amb19944297 [0,2,0,0,0,0|1,0,1]=4 5293 B14R1.6449 N[C@H](COCc1ccccc1)C(=O)O Amb3938903 [0,2,0,0,0,0|1,0,1]=4 5294 B14R1.6449 N[C@H](CSCc1ccccc1)C(=O)O Amb8389452 [0,2,0,0,0,0|1,0,1]=4 5295 B14R1.6449 O=C(CCCc1ccccc1)C(F)F Amb35744490 [0,2,0,0,0,0|1,0,1]=4 5296 B14R1.6449 O=C(O)C(F)CNCc1ccccc1 Amb27858443 [0,2,0,0,0,0|1,0,1]=4 5297 B14R1.6449 O=C(O)C(O)CNCc1ccccc1 Amb28240691 [0,2,0,0,0,0|1,0,1]=4 5298 B14R1.6449 O=C(O)C(O)COCc1ccccc1 Amb8393609 [0,2,0,0,0,0|1,0,1]=4 5299 B14R1.6449 O=C(O)[C@@H](O)COCc1ccccc1 Amb25088415 [0,2,0,0,0,0|1,0,1]=4 5300 B14R1.6449 O=C(O)[C@H](O)COCc1ccccc1 Amb24428781 [0,2,0,0,0,0|1,0,1]=4 5301 B14R1.476 CCCCCNc1ccccc1OC Amb6708228 [0,2,0,0,0,0|2,0,0]=4 5302 B14R1.476 CCCCCNc1ccccc1SC Amb9226544 [0,2,0,0,0,0|2,0,0]=4 5303 B14R1.476 CCCCCOc1ccccc1C#N Amb6664113 [0,2,0,0,0,0|2,0,0]=4 5304 B14R1.476 CCCCCOc1ccccc1C=O Amb6705805 [0,2,0,0,0,0|2,0,0]=4 5305 B14R1.476 CCCCCOc1ccccc1CN Amb4079368 [0,2,0,0,0,0|2,0,0]=4 5306 B14R1.476 CCCCCOc1ccccc1CO Amb6706298 [0,2,0,0,0,0|2,0,0]=4 5307 B14R1.476 CCCCNCc1ccccc1OC Amb20673533 [0,2,0,0,0,0|2,0,0]=4 5308 B14R1.476 CCCCNCc1ccccc1OC Amb838829 [0,2,0,0,0,0|2,0,0]=4 5309 B14R1.476 CCc1ccccc1C#CCCCO Amb27196491 [0,2,0,0,0,0|0,0,2]=4 5310 B14R1.476 COc1ccccc1CCCCC=O Amb18050050 [0,2,0,0,0,0|0,0,2]=4 5311 B14R1.476 COc1ccccc1CCNCCN Amb17091034 [0,2,0,0,0,0|2,0,0]=4 5312 B14R1.476 COc1ccccc1CCNCCO Amb17402027 [0,2,0,0,0,0|1,0,0]=3 5313 B14R1.476 COc1ccccc1CNCCCN Amb17315284 [0,2,0,0,0,0|2,0,0]=4 5314 B14R1.476 COc1ccccc1CNCCCO Amb53547 [0,2,0,0,0,0|1,0,0]=3 5315 B14R1.476 COc1ccccc1CNCCCO Amb837786 [0,2,0,0,0,0|1,0,0]=3 5316 B14R1.476 COc1ccccc1NCCCCO Amb17336990 [0,2,0,0,0,0|1,0,0]=3 5317 B14R1.476 COc1ccccc1OCCCCBr Amb2231591 [0,2,0,0,0,0|2,0,0]=4 5318 B14R1.476 COc1ccccc1OCCCCN Amb6243889 [0,2,0,0,0,0|2,0,0]=4 5319 B14R1.476 O=Cc1ccccc1OCCCCBr Amb15741081 [0,2,0,0,0,0|2,0,0]=4 5320 B14R1.476 O=Cc1ccccc1OCCCCO Amb19042463 [0,2,0,0,0,0|1,0,0]=3 5321 B14R1.837 CCC(C)CNCc1ccccc1Br Amb33044528 [0,2,0,0,0,0|2,0,0]=4 5322 B14R1.837 CCC(C)CNCc1ccccc1C Amb19050347 [0,2,0,0,0,0|2,0,0]=4 5323 B14R1.837 CCC(C)CNCc1ccccc1Cl Amb6629690 [0,2,0,0,0,0|2,0,0]=4 5324 B14R1.837 CCC(C)NCCc1ccccc1F Amb6693104 [0,2,0,0,0,0|2,0,0]=4 5325 B14R1.837 Cc1ccccc1CCNC(=O)CO Amb17401770 [0,2,0,0,0,0|1,0,1]=4 5326 B14R1.837 Cc1ccccc1CNC[C@@H](O)CO Amb19052378 [0,2,0,0,0,0|1,0,0]=3 5327 B14R1.837 Nc1ncccc1CNC[C@@H](O)CO Amb33041909 [0,2,0,0,0,0|2,0,0]=4 5328 B14R1.837 O=C(CO)NCCc1ccccc1Cl Amb17404293 [0,2,0,0,0,0|1,0,1]=4 5329 B14R1.837 O=C(CO)NCCc1ccccc1F Amb17402182 [0,2,0,0,0,0|1,0,1]=4 5330 B14R1.837 OC[C@H](O)CNCc1ccccc1Br Amb33041866 [0,2,0,0,0,0|1,0,0]=3 5331 B14R1.837 OC[C@H](O)CNCc1ccccc1Cl Amb33041831 [0,2,0,0,0,0|1,0,0]=3 5332 B14R1.837 OC[C@H](O)CNCc1ccccc1F Amb33041855 [0,2,0,0,0,0|1,0,0]=3 5333 B14R1.837 OC[C@H](O)CNCc1ccccc1O Amb33041828 [0,2,0,0,0,0|1,0,0]=3 5334 B14R1.837 OC[C@H](O)CNCc1cccnc1Br Amb33041934 [0,2,0,0,0,0|2,0,0]=4 5335 B14R1.837 OC[C@H](O)CNCc1cccnc1Cl Amb33041918 [0,2,0,0,0,0|2,0,0]=4 5336 B14R1.20339 CCCCCNc1c(C)cccc1C Amb17306409 [0,2,0,0,0,0|2,0,0]=4 5337 B14R1.20339 CCCCCNc1c(F)cccc1F Amb7760080 [0,2,0,0,0,0|2,0,0]=4 5338 B14R1.20339 CCCCNCc1c(C)cccc1C Amb33442114 [0,2,0,0,0,0|2,0,0]=4 5339 B14R1.20339 CCCCNCc1c(Cl)cccc1Cl Amb19890350 [0,2,0,0,0,0|2,0,0]=4 5340 B14R1.20339 CCCCNCc1c(Cl)cccc1Cl Amb6635521 [0,2,0,0,0,0|2,0,0]=4 5341 B14R1.20339 CCCCNCc1c(F)cccc1Br Amb33839015 [0,2,0,0,0,0|2,0,0]=4 5342 B14R1.20339 CCCCNCc1c(F)cccc1Cl Amb19890351 [0,2,0,0,0,0|2,0,0]=4 5343 B14R1.20339 CCCCNCc1c(F)cccc1Cl Amb6691090 [0,2,0,0,0,0|2,0,0]=4 5344 B14R1.20339 CCCCNCc1c(F)cccc1F Amb6690967 [0,2,0,0,0,0|2,0,0]=4 5345 B14R1.20339 CCCCNCc1c(O)cccc1Cl Amb33496452 [0,2,0,0,0,0|2,0,0]=4 5346 B14R1.20339 Cc1cccc(C)c1CNCCCO Amb33442124 [0,2,0,0,0,0|1,0,0]=3 5347 B14R1.20339 NCCCSCc1c(Cl)cccc1Cl Amb17500679 [0,2,0,0,0,0|2,0,0]=4 5348 B14R1.20339 NCCCSCc1c(F)cccc1Cl Amb17500684 [0,2,0,0,0,0|2,0,0]=4 5349 B14R1.20339 OCCCC#Cc1c(F)cccc1F Amb27486890 [0,2,0,0,0,0|0,0,2]=4 5350 B14R1.20339 OCCCNCc1c(Cl)cccc1Cl Amb837899 [0,2,0,0,0,0|1,0,0]=3 5351 B14R1.20339 OCCCNCc1c(F)cccc1F Amb6733575 [0,2,0,0,0,0|1,0,0]=3 5352 B14R1.20339 OCCCNCc1c(O)cccc1Cl Amb33496455 [0,2,0,0,0,0|1,0,0]=3 5353 B14R1.292 CC(C)(C#N)CCCc1ccccc1 Amb17442056 [0,2,0,0,0,0|1,0,1]=4 5354 B14R1.292 CC(C)(CBr)COCc1ccccc1 Amb27251270 [0,2,0,0,0,0|2,0,0]=4 5355 B14R1.292 CC(C)(CBr)OCCc1ccccc1 Amb33348270 [0,2,0,0,0,0|2,0,0]=4 5356 B14R1.292 CC(C)(CCl)CNCc1ccccc1 Amb28254010 [0,2,0,0,0,0|2,0,0]=4 5357 B14R1.292 CC(C)(CCl)COCc1ccccc1 Amb25864592 [0,2,0,0,0,0|2,0,0]=4 5358 B14R1.292 CC(C)(CF)CNCc1ccccc1 Amb27607191 [0,2,0,0,0,0|2,0,0]=4 5359 B14R1.292 CC(C)(CI)OCCc1ccccc1 Amb33348440 [0,2,0,0,0,0|2,0,0]=4 5360 B14R1.292 CC(C)(CN)CCCc1ccccc1 Amb17442137 [0,2,0,0,0,0|1,0,0]=3 5361 B14R1.292 CC(C)(CN)CCCc1ccccc1 Amb19515193 [0,2,0,0,0,0|1,0,0]=3 5362 B14R1.292 CC(C)(CO)COCc1ccccc1 Amb28381793 [0,2,0,0,0,0|1,0,0]=3 5363 B14R1.292 CC(C)(CO)C\C=C\c1ccccc1 Amb32954286 [0,2,0,0,0,0|0,0,2]=4 5364 B14R1.292 CC(C)(CO)NCCc1ccccc1 Amb6735335 [0,2,0,0,0,0|1,0,0]=3 5365 B14R1.292 CC(N)(CO)C\C=C\c1ccccc1 Amb33080806 [0,2,0,0,0,0|0,0,2]=4 5366 B14R1.292 CC(O)(CO)CNCc1ccccc1 Amb27250131 [0,2,0,0,0,0|1,0,0]=3 5367 B14R1.292 CCC(C)(C)NCCc1ccccc1 Amb876022 [0,2,0,0,0,0|2,0,0]=4 5368 B14R1.292 CCC(C)(N)CNCc1ccccc1 Amb27747354 [0,2,0,0,0,0|2,0,0]=4 5369 B14R1.292 CCC(C)(N)COCc1ccccc1 Amb27964436 [0,2,0,0,0,0|2,0,0]=4 5370 B14R1.292 CCC(C)(O)CNCc1ccccc1 Amb8630559 [0,2,0,0,0,0|2,0,0]=4 5371 B14R1.292 NCC(F)(F)COCc1ccccc1 Amb33169487 [0,2,0,0,0,0|2,0,0]=4 5372 B14R1.292 OCC(F)(F)CNCc1ccccc1 Amb28324964 [0,2,0,0,0,0|1,0,0]=3 5373 B14R1.546 C=C=C(CO)COCc1ccccc1 Amb27197126 [0,2,0,0,0,0|1,0,1]=4 5374 B14R1.546 C=CC(CC)CNCc1ccccc1 Amb27591620 [0,2,0,0,0,0|2,0,0]=4 5375 B14R1.546 C=CC(CO)COCc1ccccc1 Amb28409925 [0,2,0,0,0,0|1,0,0]=3 5376 B14R1.546 CCC(CBr)COCc1ccccc1 Amb25831520 [0,2,0,0,0,0|2,0,0]=4 5377 B14R1.546 CCC(CC)NCCc1ccccc1 Amb22587067 [0,2,0,0,0,0|2,0,0]=4 5378 B14R1.546 CCC(CC)NCCc1ccccc1 Amb6695502 [0,2,0,0,0,0|2,0,0]=4 5379 B14R1.546 CCC(CCl)COCc1ccccc1 Amb27459663 [0,2,0,0,0,0|2,0,0]=4 5380 B14R1.546 CCC(CO)COCc1ccccc1 Amb27812292 [0,2,0,0,0,0|1,0,0]=3 5381 B14R1.546 CCC(CO)NCCc1ccccc1 Amb6735058 [0,2,0,0,0,0|1,0,0]=3 5382 B14R1.546 CCC(COCc1ccccc1)NC Amb19079623 [0,2,0,0,0,0|2,0,0]=4 5383 B14R1.546 CCC(CS)COCc1ccccc1 Amb28187973 [0,2,0,0,0,0|1,1,0]=4 5384 B14R1.546 CC[C@@H](C=O)COCc1ccccc1 Amb28240468 [0,2,0,0,0,0|2,0,0]=4 5385 B14R1.546 COC(CCCc1ccccc1)OC Amb10559986 [0,2,0,0,0,0|2,0,0]=4 5386 B14R1.546 COC(CO)COCc1ccccc1 Amb27411561 [0,2,0,0,0,0|1,0,0]=3 5387 B14R1.546 CO[C@@H](CO)COCc1ccccc1 Amb27946931 [0,2,0,0,0,0|1,0,0]=3 5388 B14R1.546 OCC(CCl)COCc1ccccc1 Amb27849770 [0,2,0,0,0,0|1,0,0]=3 5389 B14R1.546 OCC(CO)COCc1ccccc1 Amb23439619 [0,2,0,0,0,0|1,0,0]=3 5390 B14R1.546 OCC(CO)NCCc1ccccc1 Amb33362988 [0,2,0,0,0,0|1,0,0]=3 5391 B12R1.18 C=C\C=C\C1CCCCCC1O Amb27164134 [0,0,1,1,0,0|0,0,2]=4 5392 B12R1.121 C=C\C=C\C1CCCCC1CO Amb28138515 [0,0,1,1,0,0|0,0,2]=4 5393 B12R1.460 C\C=C\C=C(/C)C1CCCC1O Amb27164440 [0,0,1,1,0,0|0,0,2]=4 5394 B12R1.280 C=CCC1CCCC(CO)C1=C Amb28048460 [0,0,1,1,0,0|0,0,2]=4 5395 B12R2.1 BrCC1CCc2ccccc21 Amb22500999 [1,0,0,1,0,0|1,0,0]=3 5396 B12R2.1 BrCC1COc2ccccc21 Amb25063018 [1,0,0,1,0,0|2,0,0]=4 5397 B12R2.1 C#CC1CCc2ccccc21 Amb28203681 [1,0,0,1,0,0|0,0,2]=4 5398 B12R2.1 C=CC1CCc2ccccc21 Amb33145111 [1,0,0,1,0,0|0,0,2]=4 5399 B12R2.1 CCC1=CCc2ccccc21 Amb27227340 [1,0,0,1,0,0|0,0,2]=4 5400 B12R2.1 CCC1CNc2ccccc21 Amb32661135 [1,0,0,1,0,0|1,0,0]=3 5401 B12R2.1 CCC1CNc2ccccc21 Amb9776196 [1,0,0,1,0,0|1,0,0]=3 5402 B12R2.1 CCC1NCc2ccccc21 Amb24377125 [1,0,0,1,0,0|1,0,0]=3 5403 B12R2.1 CCC1NCc2ccccc21 Amb30584702 [1,0,0,1,0,0|1,0,0]=3 5404 B12R2.1 CNC1CCc2ccccc21 Amb9705483 [1,0,0,1,0,0|1,0,0]=3 5405 B12R2.1 CNC1CCc2ncccc21 Amb27453553 [1,0,0,1,0,0|2,0,0]=4 5406 B12R2.1 CNC1CNc2ccccc21 Amb28125195 [1,0,0,1,0,0|2,0,0]=4 5407 B12R2.1 CNC1CSc2ccccc21 Amb9401070 [1,0,0,1,0,0|2,0,0]=4 5408 B12R2.1 COC1CCc2ccccc21 Amb25880282 [1,0,0,1,0,0|1,0,0]=3 5409 B12R2.1 COC1CNc2ccccc21 Amb27863100 [1,0,0,1,0,0|2,0,0]=4 5410 B12R2.1 COC1OCc2ccccc21 Amb24323529 [1,0,0,1,0,0|2,0,0]=4 5411 B12R2.1 CSC1CNc2ccccc21 Amb28423543 [1,0,0,1,0,0|2,0,0]=4 5412 B12R2.1 ClCC1CCc2ccccc21 Amb22500998 [1,0,0,1,0,0|1,0,0]=3 5413 B12R2.1 ClCC1CSc2ccccc21 Amb27853344 [1,0,0,1,0,0|2,0,0]=4 5414 B12R2.1 FCC1NCc2ccccc21 Amb27211089 [1,0,0,1,0,0|2,0,0]=4 5415 B12R2.1 N#CC1CCc2ccccc21 Amb33528298 [1,0,0,1,0,0|1,0,1]=4 5416 B12R2.1 NCC1CCc2ccccc21 Amb22500956 [1,0,0,1,0,0|1,0,0]=3 5417 B12R2.1 NCC1CCc2ccccc21 Amb8950115 [1,0,0,1,0,0|1,0,0]=3 5418 B12R2.1 NCC1CCc2cccnc21 Amb24561429 [1,0,0,1,0,0|2,0,0]=4 5419 B12R2.1 NCC1CCc2cccnc21 Amb28872310 [1,0,0,1,0,0|2,0,0]=4 5420 B12R2.1 NCC1CCc2ccncc21 Amb27463542 [1,0,0,1,0,0|2,0,0]=4 5421 B12R2.1 NCC1CCc2ncccc21 Amb27642010 [1,0,0,1,0,0|2,0,0]=4 5422 B12R2.1 NCC1CNc2ccccc21 Amb18063038 [1,0,0,1,0,0|2,0,0]=4 5423 B12R2.1 NCC1CNc2ccccc21 Amb30588549 [1,0,0,1,0,0|2,0,0]=4 5424 B12R2.1 NCC1COc2ccccc21 Amb33545318 [1,0,0,1,0,0|2,0,0]=4 5425 B12R2.1 NCC1COc2ccccc21 Amb33549495 [1,0,0,1,0,0|2,0,0]=4 5426 B12R2.1 NCC1CSc2ccccc21 Amb26624065 [1,0,0,1,0,0|2,0,0]=4 5427 B12R2.1 NCC1OCc2ccccc21 Amb28067348 [1,0,0,1,0,0|2,0,0]=4 5428 B12R2.1 NCC1OCc2ccccc21 Amb28872331 [1,0,0,1,0,0|2,0,0]=4 5429 B12R2.1 NC[C@H]1COc2ccccc21 Amb28289255 [1,0,0,1,0,0|2,0,0]=4 5430 B12R2.1 NNC1CCc2ccccc21 Amb6250083 [1,0,0,1,0,0|2,0,0]=4 5431 B12R2.1 O=CC1CCc2ccccc21 Amb18644272 [1,0,0,1,0,0|0,0,2]=4 5432 B12R2.1 O=C[C@@H]1CCc2ccccc21 Amb28319720 [1,0,0,1,0,0|0,0,2]=4 5433 B12R2.1 O=C[C@H]1CCc2ccccc21 Amb27164668 [1,0,0,1,0,0|0,0,2]=4 5434 B12R2.1 OCC1CCc2ccccc21 Amb19329220 [1,0,0,1,0,0|0,0,0]=2 5435 B12R2.1 OCC1CCc2cccnc21 Amb26853721 [1,0,0,1,0,0|1,0,0]=3 5436 B12R2.1 OCC1CNc2ccccc21 Amb18063448 [1,0,0,1,0,0|1,0,0]=3 5437 B12R2.1 OCC1CNc2ccccc21 Amb28652884 [1,0,0,1,0,0|1,0,0]=3 5438 B12R2.1 OCC1COc2ccccc21 Amb22224879 [1,0,0,1,0,0|1,0,0]=3 5439 B12R2.1 OCC1COc2cnccc21 Amb26498941 [1,0,0,1,0,0|2,0,0]=4 5440 B12R2.1 OCC1CSc2ccccc21 Amb24615579 [1,0,0,1,0,0|1,0,0]=3 5441 B12R2.1 OCC1NCc2ccccc21 Amb25736151 [1,0,0,1,0,0|1,0,0]=3 5442 B12R2.1 ONC1CSc2ccccc21 Amb27223274 [1,0,0,1,0,0|2,0,0]=4 5443 B12R2.1 O\N=C1/CCc2ccccc21 Amb4016236 [1,0,0,1,0,0|1,0,1]=4 5444 B12R2.1 SCC1CCc2ccccc21 Amb33144588 [1,0,0,1,0,0|0,1,0]=3 5445 B12R2.1 SCC1COc2ccccc21 Amb27397263 [1,0,0,1,0,0|1,1,0]=4 5446 B12R2.1 [C-]#[N+]C1CCc2ccccc21 Amb2688965 [1,0,0,1,0,0|1,0,1]=4 5447 B12R2.1 [C-]#[N+][C@@H]1CCc2ccccc21 Amb2688966 [1,0,0,1,0,0|1,0,1]=4 5448 B12R2.2 C1=C(c2ccccc2)CCC1 Amb4317492 [1,0,0,1,0,0|0,0,2]=4 5449 B12R2.2 c1cc(C2CCCC2)ncn1 Amb33070128 [1,0,0,1,0,0|2,0,0]=4 5450 B12R2.2 c1cc(C2CCCN2)ccn1 Amb17659139 [1,0,0,1,0,0|2,0,0]=4 5451 B12R2.2 c1cc(C2CCCS2)ccn1 Amb19373819 [1,0,0,1,0,0|1,1,0]=4 5452 B12R2.2 c1cc(C2CCNC2)ccn1 Amb22233781 [1,0,0,1,0,0|2,0,0]=4 5453 B12R2.2 c1cc(C2CCNC2)ccn1 Amb33551300 [1,0,0,1,0,0|2,0,0]=4 5454 B12R2.2 c1cc(C2CCNC2)ccn1 Amb3940962 [1,0,0,1,0,0|2,0,0]=4 5455 B12R2.2 c1cc(C2CNCO2)ccn1 Amb18065319 [1,0,0,1,0,0|2,0,0]=4 5456 B12R2.2 c1cc(C2NCCO2)ccn1 Amb17334300 [1,0,0,1,0,0|2,0,0]=4 5457 B12R2.2 c1cc(C2OCCO2)ccn1 Amb17334309 [1,0,0,1,0,0|2,0,0]=4 5458 B12R2.2 c1cc(N2CCCC2)cc[nH+]1 Amb33512940 [1,0,0,1,0,0|2,0,0]=4 5459 B12R2.2 c1cc(N2CCCC2)ccn1 Amb2708565 [1,0,0,1,0,0|2,0,0]=4 5460 B12R2.2 c1cc([C@@H]2CCCN2)ccn1 Amb26413775 [1,0,0,1,0,0|2,0,0]=4 5461 B12R2.2 c1cc([C@H]2CCCN2)ccn1 Amb26565678 [1,0,0,1,0,0|2,0,0]=4 5462 B12R2.2 c1ccc(C2=NCCC2)cc1 Amb1106418 [1,0,0,1,0,0|1,0,1]=4 5463 B12R2.2 c1ccc(C2=NCCO2)cc1 Amb18063911 [1,0,0,1,0,0|1,0,1]=4 5464 B12R2.2 c1ccc(C2CCCC2)cc1 Amb9787161 [1,0,0,1,0,0|0,0,0]=2 5465 B12R2.2 c1ccc(C2CCCC2)nc1 Amb23589711 [1,0,0,1,0,0|1,0,0]=3 5466 B12R2.2 c1ccc(C2CCCN2)cc1 Amb10808365 [1,0,0,1,0,0|1,0,0]=3 5467 B12R2.2 c1ccc(C2CCCN2)cc1 Amb9702996 [1,0,0,1,0,0|1,0,0]=3 5468 B12R2.2 c1ccc(C2CCCN2)nc1 Amb21960411 [1,0,0,1,0,0|2,0,0]=4 5469 B12R2.2 c1ccc(C2CCCN2)nc1 Amb2235736 [1,0,0,1,0,0|2,0,0]=4 5470 B12R2.2 c1ccc(C2CCCN2)nc1 Amb30586497 [1,0,0,1,0,0|2,0,0]=4 5471 B12R2.2 c1ccc(C2CCCO2)cc1 Amb17334283 [1,0,0,1,0,0|0,0,0]=2 5472 B12R2.2 c1ccc(C2CCC[NH2+]2)cc1 Amb33512932 [1,0,0,1,0,0|1,0,0]=3 5473 B12R2.2 c1ccc(C2CCNC2)cc1 Amb10069263 [1,0,0,1,0,0|1,0,0]=3 5474 B12R2.2 c1ccc(C2CCNC2)cc1 Amb10072809 [1,0,0,1,0,0|1,0,0]=3 5475 B12R2.2 c1ccc(C2CCNC2)cc1 Amb701982 [1,0,0,1,0,0|1,0,0]=3 5476 B12R2.2 c1ccc(C2CCNC2)nc1 Amb10808435 [1,0,0,1,0,0|2,0,0]=4 5477 B12R2.2 c1ccc(C2CCNC2)nc1 Amb32719303 [1,0,0,1,0,0|2,0,0]=4 5478 B12R2.2 c1ccc(C2CCNC2)nc1 Amb3941368 [1,0,0,1,0,0|2,0,0]=4 5479 B12R2.2 c1ccc(C2CCOC2)nc1 Amb24320768 [1,0,0,1,0,0|2,0,0]=4 5480 B12R2.2 c1ccc(C2CCSC2)cc1 Amb4140293 [1,0,0,1,0,0|1,0,0]=3 5481 B12R2.2 c1ccc(C2CC[NH2+]C2)cc1 Amb4258873 [1,0,0,1,0,0|1,0,0]=3 5482 B12R2.2 c1ccc(C2CNCO2)cc1 Amb18065307 [1,0,0,1,0,0|1,0,0]=3 5483 B12R2.2 c1ccc(C2CNCO2)nc1 Amb18065316 [1,0,0,1,0,0|2,0,0]=4 5484 B12R2.2 c1ccc(C2NCCO2)cc1 Amb17334284 [1,0,0,1,0,0|1,0,0]=3 5485 B12R2.2 c1ccc(C2NCCO2)nc1 Amb17334298 [1,0,0,1,0,0|2,0,0]=4 5486 B12R2.2 c1ccc(C2NCCP2)cc1 Amb27606514 [1,0,0,1,0,0|2,0,0]=4 5487 B12R2.2 c1ccc(C2NCCS2)cc1 Amb3466213 [1,0,0,1,0,0|1,1,0]=4 5488 B12R2.2 c1ccc(C2OCCO2)cc1 Amb9786741 [1,0,0,1,0,0|1,0,0]=3 5489 B12R2.2 c1ccc(C2OCCO2)nc1 Amb17334307 [1,0,0,1,0,0|2,0,0]=4 5490 B12R2.2 c1ccc(C2SCCS2)cc1 Amb23401446 [1,0,0,1,0,0|1,1,0]=4 5491 B12R2.2 c1ccc(N2CCCC2)cc1 Amb8391946 [1,0,0,1,0,0|1,0,0]=3 5492 B12R2.2 c1ccc(N2CCCC2)nc1 Amb18269671 [1,0,0,1,0,0|2,0,0]=4 5493 B12R2.2 c1ccc(N2CCNC2)cc1 Amb27785561 [1,0,0,1,0,0|2,0,0]=4 5494 B12R2.2 c1ccc([C@@H]2CCCN2)cc1 Amb20241933 [1,0,0,1,0,0|1,0,0]=3 5495 B12R2.2 c1ccc([C@@H]2CCCN2)cc1 Amb8397178 [1,0,0,1,0,0|1,0,0]=3 5496 B12R2.2 c1ccc([C@@H]2CCCN2)nc1 Amb22802416 [1,0,0,1,0,0|2,0,0]=4 5497 B12R2.2 c1ccc([C@@H]2CCNC2)cc1 Amb19888399 [1,0,0,1,0,0|1,0,0]=3 5498 B12R2.2 c1ccc([C@@H]2CCNC2)cc1 Amb27617269 [1,0,0,1,0,0|1,0,0]=3 5499 B12R2.2 c1ccc([C@H]2CCCN2)cc1 Amb20241932 [1,0,0,1,0,0|1,0,0]=3 5500 B12R2.2 c1ccc([C@H]2CCCN2)cc1 Amb8397179 [1,0,0,1,0,0|1,0,0]=3 5501 B12R2.2 c1ccc([C@H]2CCCN2)nc1 Amb22754034 [1,0,0,1,0,0|2,0,0]=4 5502 B12R2.2 c1ccc([C@H]2CCNC2)cc1 Amb19887561 [1,0,0,1,0,0|1,0,0]=3 5503 B12R2.2 c1ccc([C@H]2CCNC2)cc1 Amb24183516 [1,0,0,1,0,0|1,0,0]=3 5504 B12R2.2 c1ccc([C@H]2COCN2)cc1 Amb25877610 [1,0,0,1,0,0|2,0,0]=4 5505 B12R2.2 c1ccc([S+]2CCCC2)nc1 Amb2612713 [1,0,0,1,0,0|2,0,0]=4 5506 B12R2.2 c1cncc(C2CCCC2)c1 Amb25121665 [1,0,0,1,0,0|1,0,0]=3 5507 B12R2.2 c1cncc(C2CCCN2)c1 Amb17659140 [1,0,0,1,0,0|2,0,0]=4 5508 B12R2.2 c1cncc(C2CCCN2)c1 Amb32409359 [1,0,0,1,0,0|2,0,0]=4 5509 B12R2.2 c1cncc(C2CCCS2)c1 Amb19373816 [1,0,0,1,0,0|1,1,0]=4 5510 B12R2.2 c1cncc(C2CCNC2)c1 Amb19958035 [1,0,0,1,0,0|2,0,0]=4 5511 B12R2.2 c1cncc(C2CCNC2)c1 Amb22490712 [1,0,0,1,0,0|2,0,0]=4 5512 B12R2.2 c1cncc(C2CCNC2)c1 Amb30647467 [1,0,0,1,0,0|2,0,0]=4 5513 B12R2.2 c1cncc(C2CCNC2)c1 Amb3938889 [1,0,0,1,0,0|2,0,0]=4 5514 B12R2.2 c1cncc(C2CCOC2)c1 Amb24320767 [1,0,0,1,0,0|2,0,0]=4 5515 B12R2.2 c1cncc(C2CNCO2)c1 Amb18065317 [1,0,0,1,0,0|2,0,0]=4 5516 B12R2.2 c1cncc(C2NCCO2)c1 Amb17334299 [1,0,0,1,0,0|2,0,0]=4 5517 B12R2.2 c1cncc(C2OCCO2)c1 Amb17334308 [1,0,0,1,0,0|2,0,0]=4 5518 B12R2.2 c1cncc(N2CCCC2)c1 Amb8394249 [1,0,0,1,0,0|2,0,0]=4 5519 B12R2.2 c1cncc([C@@H]2CCCN2)c1 Amb33871642 [1,0,0,1,0,0|2,0,0]=4 5520 B12R2.2 c1cncc([C@@H]2CCCN2)c1 Amb8630852 [1,0,0,1,0,0|2,0,0]=4 5521 B12R2.2 c1cncc([C@H]2CCCN2)c1 Amb22748224 [1,0,0,1,0,0|2,0,0]=4 5522 B12R2.2 c1cncc([C@H]2CCCN2)c1 Amb22899133 [1,0,0,1,0,0|2,0,0]=4 5523 B12R2.2 c1cncc([C@H]2CCCN2)c1 Amb31291285 [1,0,0,1,0,0|2,0,0]=4 5524 B12R2.11 BrC1CC1Cc2ccccc2 Amb27176533 [1,0,0,1,0,0|1,0,0]=3 5525 B12R2.11 Br[C@H]1C[C@@H]1Cc2ccccc2 Amb28287700 [1,0,0,1,0,0|1,0,0]=3 5526 B12R2.11 CC1CC1Nc2ccccc2 Amb24743217 [1,0,0,1,0,0|1,0,0]=3 5527 B12R2.11 C[C@@H]1C[C@@H]1Nc2ccccc2 Amb28059383 [1,0,0,1,0,0|1,0,0]=3 5528 B12R2.11 C[C@@H]1C[C@H]1Nc2ccncc2 Amb27420857 [1,0,0,1,0,0|2,0,0]=4 5529 B12R2.11 Cl[C@@H]1C[C@@H]1Cc2ccccc2 Amb27640652 [1,0,0,1,0,0|1,0,0]=3 5530 B12R2.11 NC1CC1Cc2ccccc2 Amb18960797 [1,0,0,1,0,0|1,0,0]=3 5531 B12R2.11 NC1CC1Cc2ccccc2 Amb19375025 [1,0,0,1,0,0|1,0,0]=3 5532 B12R2.11 N[C@@H]1C[C@H]1Cc2ccccc2 Amb32953150 [1,0,0,1,0,0|1,0,0]=3 5533 B12R2.11 N[C@@H]1C[C@H]1Oc2ccccc2 Amb33347106 [1,0,0,1,0,0|2,0,0]=4 5534 B12R2.11 N[C@H]1C[C@@H]1Oc2ccccc2 Amb27494042 [1,0,0,1,0,0|2,0,0]=4 5535 B12R2.23 CC1CCN1c2ccccc2 Amb28312828 [1,0,0,1,0,0|1,0,0]=3 5536 B12R2.23 CC1CNC1c2ccccc2 Amb19338009 [1,0,0,1,0,0|1,0,0]=3 5537 B12R2.23 CC1NCC1c2ccccc2 Amb25842786 [1,0,0,1,0,0|1,0,0]=3 5538 B12R2.23 CN1CCC1c2cccnc2 Amb27792386 [1,0,0,1,0,0|2,0,0]=4 5539 B12R2.23 NC1CCC1c2ccccc2 Amb19335290 [1,0,0,1,0,0|1,0,0]=3 5540 B12R2.23 NC1CCC1c2ccccc2 Amb24120632 [1,0,0,1,0,0|1,0,0]=3 5541 B12R2.23 NC1CCC1c2ccccn2 Amb27430527 [1,0,0,1,0,0|2,0,0]=4 5542 B12R2.23 NC1CCC1c2ccncc2 Amb28055952 [1,0,0,1,0,0|2,0,0]=4 5543 B12R2.23 N[C@@H]1CC[C@@H]1c2ccccc2 Amb28594309 [1,0,0,1,0,0|1,0,0]=3 5544 B12R2.23 N[C@@H]1CC[C@@H]1c2ccccc2 Amb32665507 [1,0,0,1,0,0|1,0,0]=3 5545 B12R2.23 N[C@@H]1CC[C@H]1c2ccccc2 Amb25174969 [1,0,0,1,0,0|1,0,0]=3 5546 B12R2.23 N[C@@H]1CC[C@H]1c2ccccc2 Amb33447016 [1,0,0,1,0,0|1,0,0]=3 5547 B12R2.23 N[C@@H]1CO[C@H]1c2ccccc2 Amb32685232 [1,0,0,1,0,0|2,0,0]=4 5548 B12R2.23 N[C@@H]1CO[C@H]1c2ccccc2 Amb32685233 [1,0,0,1,0,0|2,0,0]=4 5549 B12R2.23 N[C@H]1CC[C@H]1c2ccccc2 Amb27789894 [1,0,0,1,0,0|1,0,0]=3 5550 B12R2.23 N[C@H]1CS[C@@H]1c2ccccc2 Amb28245857 [1,0,0,1,0,0|2,0,0]=4 5551 B12R2.23 O=C1CCC1c2ccccc2 Amb19515483 [1,0,0,1,0,0|0,0,2]=4 5552 B12R2.23 O=C1CC[C@H]1c2ccccc2 Amb28253765 [1,0,0,1,0,0|0,0,2]=4 5553 B12R2.23 OC1CCC1c2ccccc2 Amb19374437 [1,0,0,1,0,0|0,0,0]=2 5554 B12R2.23 OC1CCC1c2cccnc2 Amb25997850 [1,0,0,1,0,0|1,0,0]=3 5555 B12R2.23 OC1CCC1c2cnccn2 Amb32944849 [1,0,0,1,0,0|2,0,0]=4 5556 B12R2.23 OC1CCC1c2cncnc2 Amb32951048 [1,0,0,1,0,0|2,0,0]=4 5557 B12R2.23 OC1CNC1c2ccccc2 Amb25680030 [1,0,0,1,0,0|1,0,0]=3 5558 B12R2.23 OC1CNC1c2cccnc2 Amb25145873 [1,0,0,1,0,0|2,0,0]=4 5559 B12R2.23 OC1COC1c2ccccc2 Amb26336587 [1,0,0,1,0,0|1,0,0]=3 5560 B12R2.23 OC1CSC1c2ccccc2 Amb27396136 [1,0,0,1,0,0|1,0,0]=3 5561 B12R2.23 O[C@@H]1CO[C@@H]1c2ccccc2 Amb32679855 [1,0,0,1,0,0|1,0,0]=3 5562 B12R2.23 O[C@@H]1CO[C@H]1c2ccccc2 Amb32679869 [1,0,0,1,0,0|1,0,0]=3 5563 B12R2.23 O[C@H]1CC[C@H]1c2ccccc2 Amb27816201 [1,0,0,1,0,0|0,0,0]=2 5564 B12R2.23 O[C@H]1CO[C@H]1c2ccccc2 Amb28345399 [1,0,0,1,0,0|1,0,0]=3 5565 B12R2.27 BrCC1CC1c2ccccc2 Amb25099525 [1,0,0,1,0,0|1,0,0]=3 5566 B12R2.27 BrC[C@@H]1C[C@H]1c2ccccc2 Amb26055377 [1,0,0,1,0,0|1,0,0]=3 5567 B12R2.27 BrC[C@@H]1O[C@H]1c2ccccc2 Amb28249045 [1,0,0,1,0,0|2,0,0]=4 5568 B12R2.27 C=CC1CC1c2ccccc2 Amb26889126 [1,0,0,1,0,0|0,0,2]=4 5569 B12R2.27 CC[C@@H]1O[C@H]1c2ccccc2 Amb27768002 [1,0,0,1,0,0|1,0,0]=3 5570 B12R2.27 CNC1CC1c2ccccc2 Amb18957298 [1,0,0,1,0,0|1,0,0]=3 5571 B12R2.27 CNC1CC1c2ccccc2 Amb20630184 [1,0,0,1,0,0|1,0,0]=3 5572 B12R2.27 CN[C@@H]1C[C@H]1c2ccccc2 Amb28056101 [1,0,0,1,0,0|1,0,0]=3 5573 B12R2.27 CN[C@@H]1C[C@H]1c2ccccc2 Amb33309625 [1,0,0,1,0,0|1,0,0]=3 5574 B12R2.27 ClC[C@@H]1O[C@@H]1c2ccccc2 Amb28457544 [1,0,0,1,0,0|2,0,0]=4 5575 B12R2.27 N#CC1CC1c2ccccc2 Amb17231961 [1,0,0,1,0,0|1,0,1]=4 5576 B12R2.27 N#C[C@@H]1C[C@H]1c2ccccc2 Amb25309014 [1,0,0,1,0,0|1,0,1]=4 5577 B12R2.27 N#C[C@H]1C[C@@H]1c2ccccc2 Amb27613258 [1,0,0,1,0,0|1,0,1]=4 5578 B12R2.27 NCC1CC1c2ccccc2 Amb17232030 [1,0,0,1,0,0|1,0,0]=3 5579 B12R2.27 NCC1CC1c2ccccc2 Amb19515036 [1,0,0,1,0,0|1,0,0]=3 5580 B12R2.27 NCC1CC1c2ccccn2 Amb18963618 [1,0,0,1,0,0|2,0,0]=4 5581 B12R2.27 NCC1CC1c2cccnc2 Amb17232044 [1,0,0,1,0,0|2,0,0]=4 5582 B12R2.27 NCC1CC1c2cccnc2 Amb33172856 [1,0,0,1,0,0|2,0,0]=4 5583 B12R2.27 NCC1CC1c2ccncc2 Amb18963616 [1,0,0,1,0,0|2,0,0]=4 5584 B12R2.27 NCC1OC1c2ccccc2 Amb25836323 [1,0,0,1,0,0|2,0,0]=4 5585 B12R2.27 NC[C@@H]1C[C@@H]1c2ccccc2 Amb34916191 [1,0,0,1,0,0|1,0,0]=3 5586 B12R2.27 NC[C@@H]1C[C@@H]1c2cccnc2 Amb34915991 [1,0,0,1,0,0|2,0,0]=4 5587 B12R2.27 NC[C@@H]1C[C@H]1c2ccccc2 Amb24514797 [1,0,0,1,0,0|1,0,0]=3 5588 B12R2.27 NC[C@@H]1C[C@H]1c2ccccc2 Amb32661485 [1,0,0,1,0,0|1,0,0]=3 5589 B12R2.27 NC[C@@H]1C[C@H]1c2ccccn2 Amb26887881 [1,0,0,1,0,0|2,0,0]=4 5590 B12R2.27 NC[C@@H]1C[C@H]1c2cccnc2 Amb25168891 [1,0,0,1,0,0|2,0,0]=4 5591 B12R2.27 NC[C@@H]1C[C@H]1c2cccnc2 Amb33172877 [1,0,0,1,0,0|2,0,0]=4 5592 B12R2.27 NC[C@@H]1C[C@H]1c2ccncc2 Amb25271512 [1,0,0,1,0,0|2,0,0]=4 5593 B12R2.27 NC[C@H]1C[C@@H]1c2ccccc2 Amb24606663 [1,0,0,1,0,0|1,0,0]=3 5594 B12R2.27 NC[C@H]1C[C@@H]1c2ccccc2 Amb32664390 [1,0,0,1,0,0|1,0,0]=3 5595 B12R2.27 NC[C@H]1C[C@@H]1c2ccncc2 Amb27440247 [1,0,0,1,0,0|2,0,0]=4 5596 B12R2.27 NC[C@H]1C[C@H]1c2ccccc2 Amb34916190 [1,0,0,1,0,0|1,0,0]=3 5597 B12R2.27 NC[C@H]1O[C@@H]1c2ccccc2 Amb27188182 [1,0,0,1,0,0|2,0,0]=4 5598 B12R2.27 O=CC1CC1c2ccccc2 Amb10844842 [1,0,0,1,0,0|0,0,2]=4 5599 B12R2.27 O=C[C@@H]1C[C@@H]1c2ccccc2 Amb26433208 [1,0,0,1,0,0|0,0,2]=4 5600 B12R2.27 O=C[C@@H]1C[C@H]1c2ccccc2 Amb25368620 [1,0,0,1,0,0|0,0,2]=4 5601 B12R2.27 O=C[C@H]1C[C@@H]1c2ccccc2 Amb27421992 [1,0,0,1,0,0|0,0,2]=4 5602 B12R2.27 O=C[C@H]1C[C@H]1c2ccccc2 Amb26548788 [1,0,0,1,0,0|0,0,2]=4 5603 B12R2.27 OCC1CC1c2ccccc2 Amb17605543 [1,0,0,1,0,0|0,0,0]=2 5604 B12R2.27 OCC1CC1c2ccccn2 Amb23536863 [1,0,0,1,0,0|1,0,0]=3 5605 B12R2.27 OCC1CC1c2ccncc2 Amb23536862 [1,0,0,1,0,0|1,0,0]=3 5606 B12R2.27 OCC1CC1c2cnccn2 Amb35600862 [1,0,0,1,0,0|2,0,0]=4 5607 B12R2.27 OCC1C[C@@H]1c2ccccc2 Amb28182630 [1,0,0,1,0,0|0,0,0]=2 5608 B12R2.27 OCC1C[C@H]1c2ccccc2 Amb28207313 [1,0,0,1,0,0|0,0,0]=2 5609 B12R2.27 OCC1N=C1c2ccccc2 Amb26560371 [1,0,0,1,0,0|1,0,1]=4 5610 B12R2.27 OCC1OC1c2ccccc2 Amb24063567 [1,0,0,1,0,0|1,0,0]=3 5611 B12R2.27 OC[C@@H]1C[C@@H]1c2ccccc2 Amb25917153 [1,0,0,1,0,0|0,0,0]=2 5612 B12R2.27 OC[C@@H]1C[C@@H]1c2cccnc2 Amb22744875 [1,0,0,1,0,0|1,0,0]=3 5613 B12R2.27 OC[C@@H]1C[C@@H]1c2ccncc2 Amb27485910 [1,0,0,1,0,0|1,0,0]=3 5614 B12R2.27 OC[C@@H]1C[C@H]1c2ccccc2 Amb28146004 [1,0,0,1,0,0|0,0,0]=2 5615 B12R2.27 OC[C@@H]1C[C@H]1c2ccccn2 Amb27968717 [1,0,0,1,0,0|1,0,0]=3 5616 B12R2.27 OC[C@H]1C[C@@H]1c2ccccc2 Amb3634122 [1,0,0,1,0,0|0,0,0]=2 5617 B12R2.27 OC[C@H]1C[C@@H]1c2ccccn2 Amb27428354 [1,0,0,1,0,0|1,0,0]=3 5618 B12R2.27 OC[C@H]1O[C@@H]1c2ccccc2 Amb20242388 [1,0,0,1,0,0|1,0,0]=3 5619 B12R2.27 OC[C@H]1O[C@H]1c2ccccc2 Amb27432251 [1,0,0,1,0,0|1,0,0]=3 5620 B12R2.41 C1=CCc2ccccc2OC1 Amb22585745 [1,0,0,1,0,0|0,0,2]=4 5621 B12R2.41 C1=CNC2=NCCCCC2=C1 Amb25698578 [1,0,0,1,0,0|2,0,0]=4 5622 B12R2.41 C1=Cc2ccccc2CCC1 Amb2383779 [1,0,0,1,0,0|0,0,2]=4 5623 B12R2.41 C1=Cc2ccccc2OCC1 Amb22228288 [1,0,0,1,0,0|0,0,2]=4 5624 B12R2.41 c1cc2c(cn1)CCCCN2 Amb27493609 [1,0,0,1,0,0|2,0,0]=4 5625 B12R2.41 c1cc2c(cn1)CCCNC2 Amb28253087 [1,0,0,1,0,0|2,0,0]=4 5626 B12R2.41 c1cc2c(cn1)CCCNC2 Amb35752540 [1,0,0,1,0,0|2,0,0]=4 5627 B12R2.41 c1cc2c(cn1)NCCCC2 Amb25302725 [1,0,0,1,0,0|2,0,0]=4 5628 B12R2.41 c1cc2c(cn1)NCCCC2 Amb30584700 [1,0,0,1,0,0|2,0,0]=4 5629 B12R2.41 c1cc2c(cn1)OCCNC2 Amb25892926 [1,0,0,1,0,0|2,0,0]=4 5630 B12R2.41 c1cc2c(cn1)OCCNC2 Amb28652937 [1,0,0,1,0,0|2,0,0]=4 5631 B12R2.41 c1ccc2c(c1)CCCCN2 Amb2383457 [1,0,0,1,0,0|1,0,0]=3 5632 B12R2.41 c1ccc2c(c1)CCCCO2 Amb25340494 [1,0,0,1,0,0|0,0,0]=2 5633 B12R2.41 c1ccc2c(c1)CCCNC2 Amb10608887 [1,0,0,1,0,0|1,0,0]=3 5634 B12R2.41 c1ccc2c(c1)CCCNC2 Amb17470382 [1,0,0,1,0,0|1,0,0]=3 5635 B12R2.41 c1ccc2c(c1)CCCOC2 Amb27216707 [1,0,0,1,0,0|1,0,0]=3 5636 B12R2.41 c1ccc2c(c1)CCNCC2 Amb1811889 [1,0,0,1,0,0|1,0,0]=3 5637 B12R2.41 c1ccc2c(c1)CCNCC2 Amb6769007 [1,0,0,1,0,0|1,0,0]=3 5638 B12R2.41 c1ccc2c(c1)CCOCC2 Amb22233129 [1,0,0,1,0,0|1,0,0]=3 5639 B12R2.41 c1ccc2c(c1)CNCCN2 Amb21864900 [1,0,0,1,0,0|2,0,0]=4 5640 B12R2.41 c1ccc2c(c1)CNCCN2 Amb7969771 [1,0,0,1,0,0|2,0,0]=4 5641 B12R2.41 c1ccc2c(c1)CNCCO2 Amb33544399 [1,0,0,1,0,0|1,0,0]=3 5642 B12R2.41 c1ccc2c(c1)CNCCO2 Amb3941249 [1,0,0,1,0,0|1,0,0]=3 5643 B12R2.41 c1ccc2c(c1)CNCCS2 Amb20668198 [1,0,0,1,0,0|1,1,0]=4 5644 B12R2.41 c1ccc2c(c1)CNCCS2 Amb21858414 [1,0,0,1,0,0|1,1,0]=4 5645 B12R2.41 c1ccc2c(c1)COCCN2 Amb22751644 [1,0,0,1,0,0|2,0,0]=4 5646 B12R2.41 c1ccc2c(c1)COCOC2 Amb27252080 [1,0,0,1,0,0|2,0,0]=4 5647 B12R2.41 c1ccc2c(c1)CSCCN2 Amb24484529 [1,0,0,1,0,0|2,0,0]=4 5648 B12R2.41 c1ccc2c(c1)NCCCN2 Amb10070197 [1,0,0,1,0,0|2,0,0]=4 5649 B12R2.41 c1ccc2c(c1)NCCCO2 Amb13951845 [1,0,0,1,0,0|1,0,0]=3 5650 B12R2.41 c1ccc2c(c1)NCCCO2 Amb31308571 [1,0,0,1,0,0|1,0,0]=3 5651 B12R2.41 c1ccc2c(c1)NCCCS2 Amb32664275 [1,0,0,1,0,0|1,1,0]=4 5652 B12R2.41 c1ccc2c(c1)NCCCS2 Amb419555 [1,0,0,1,0,0|1,1,0]=4 5653 B12R2.41 c1ccc2c(c1)OCCCO2 Amb1397744 [1,0,0,1,0,0|1,0,0]=3 5654 B12R2.41 c1cnc2c(c1)CCCCC2 Amb22347821 [1,0,0,1,0,0|1,0,0]=3 5655 B12R2.41 c1cnc2c(c1)CCCCN2 Amb33544995 [1,0,0,1,0,0|2,0,0]=4 5656 B12R2.41 c1cnc2c(c1)CCNCC2 Amb25152680 [1,0,0,1,0,0|2,0,0]=4 5657 B12R2.41 c1cnc2c(c1)CCOCC2 Amb24359900 [1,0,0,1,0,0|2,0,0]=4 5658 B12R2.41 c1cnc2c(c1)CNCCC2 Amb28397820 [1,0,0,1,0,0|2,0,0]=4 5659 B12R2.41 c1cnc2c(c1)CNCCO2 Amb21963245 [1,0,0,1,0,0|2,0,0]=4 5660 B12R2.41 c1cnc2c(c1)CNCCO2 Amb22001566 [1,0,0,1,0,0|2,0,0]=4 5661 B12R2.41 c1cnc2c(c1)CNCCO2 Amb22015269 [1,0,0,1,0,0|2,0,0]=4 5662 B12R2.41 c1cnc2c(c1)NCCCC2 Amb25981440 [1,0,0,1,0,0|2,0,0]=4 5663 B12R2.41 c1cnc2c(c1)OCCNC2 Amb26353321 [1,0,0,1,0,0|2,0,0]=4 5664 B12R2.931 BrCCC1Cc2ccccc21 Amb28060024 [1,0,0,1,0,0|1,0,0]=3 5665 B12R2.931 CCNC1Cc2ccccc21 Amb27840306 [1,0,0,1,0,0|1,0,0]=3 5666 B12R2.931 ClCCC1Cc2ccccc21 Amb27260584 [1,0,0,1,0,0|1,0,0]=3 5667 B12R2.931 N#CCC1Cc2ccccc21 Amb27780963 [1,0,0,1,0,0|1,0,1]=4 5668 B12R2.931 OCCC1=Cc2ccccc21 Amb24414369 [1,0,0,1,0,0|0,0,2]=4 5669 B12R2.1081 BrC1CCCc2ccccc21 Amb8384413 [1,0,0,1,0,0|1,0,0]=3 5670 B12R2.1081 BrC1CCCc2cccnc21 Amb24680202 [1,0,0,1,0,0|2,0,0]=4 5671 B12R2.1081 BrC1CCNc2ccccc21 Amb26657292 [1,0,0,1,0,0|2,0,0]=4 5672 B12R2.1081 BrC1CCOc2ccccc21 Amb9210662 [1,0,0,1,0,0|2,0,0]=4 5673 B12R2.1081 BrC1NCCc2ccccc21 Amb27176472 [1,0,0,1,0,0|2,0,0]=4 5674 B12R2.1081 BrC1OCCc2ccccc21 Amb23441457 [1,0,0,1,0,0|2,0,0]=4 5675 B12R2.1081 C=C1CCCc2ccccc21 Amb25736652 [1,0,0,1,0,0|0,0,2]=4 5676 B12R2.1081 CC1=CCCc2ccccc21 Amb2439915 [1,0,0,1,0,0|0,0,2]=4 5677 B12R2.1081 CC1=NCCc2ccccc21 Amb17940779 [1,0,0,1,0,0|1,0,1]=4 5678 B12R2.1081 CC1=NCCc2ccccc21 Amb33446974 [1,0,0,1,0,0|1,0,1]=4 5679 B12R2.1081 CC1=NCCc2ccccc21 Amb8517423 [1,0,0,1,0,0|1,0,1]=4 5680 B12R2.1081 CC1CCCc2ccccc21 Amb22730060 [1,0,0,1,0,0|0,0,0]=2 5681 B12R2.1081 CC1CCCc2cccnc21 Amb26442760 [1,0,0,1,0,0|1,0,0]=3 5682 B12R2.1081 CC1CCCc2ncccc21 Amb27617300 [1,0,0,1,0,0|1,0,0]=3 5683 B12R2.1081 CC1CCCc2ncncc21 Amb27456609 [1,0,0,1,0,0|2,0,0]=4 5684 B12R2.1081 CC1CCNc2ccccc21 Amb7969716 [1,0,0,1,0,0|1,0,0]=3 5685 B12R2.1081 CC1CCNc2ccccc21 Amb9782720 [1,0,0,1,0,0|1,0,0]=3 5686 B12R2.1081 CC1CCNc2ncccc21 Amb26399114 [1,0,0,1,0,0|2,0,0]=4 5687 B12R2.1081 CC1CCOc2ccccc21 Amb28194294 [1,0,0,1,0,0|1,0,0]=3 5688 B12R2.1081 CC1CCOc2ccncc21 Amb28400483 [1,0,0,1,0,0|2,0,0]=4 5689 B12R2.1081 CC1CNCc2ccccc21 Amb17399906 [1,0,0,1,0,0|1,0,0]=3 5690 B12R2.1081 CC1CNCc2ccccc21 Amb22275944 [1,0,0,1,0,0|1,0,0]=3 5691 B12R2.1081 CC1COCc2ccccc21 Amb23580749 [1,0,0,1,0,0|1,0,0]=3 5692 B12R2.1081 CC1NCCc2ccccc21 Amb19514854 [1,0,0,1,0,0|1,0,0]=3 5693 B12R2.1081 CC1NCCc2ccccc21 Amb5735598 [1,0,0,1,0,0|1,0,0]=3 5694 B12R2.1081 CC1NCCc2ccncc21 Amb33483942 [1,0,0,1,0,0|2,0,0]=4 5695 B12R2.1081 CC1NCCc2ncccc21 Amb33544943 [1,0,0,1,0,0|2,0,0]=4 5696 B12R2.1081 CC1OCNc2ccccc21 Amb28118766 [1,0,0,1,0,0|2,0,0]=4 5697 B12R2.1081 CN1CCCc2ccccc21 Amb15692645 [1,0,0,1,0,0|1,0,0]=3 5698 B12R2.1081 CN1CCCc2cccnc21 Amb24538105 [1,0,0,1,0,0|2,0,0]=4 5699 B12R2.1081 CN1CCNc2ccccc21 Amb19957895 [1,0,0,1,0,0|2,0,0]=4 5700 B12R2.1081 CN1CCNc2ccccc21 Amb2383679 [1,0,0,1,0,0|2,0,0]=4 5701 B12R2.1081 CN1CCOc2ccccc21 Amb10569245 [1,0,0,1,0,0|2,0,0]=4 5702 B12R2.1081 C[C@@H]1CCCc2ncccc21 Amb27476144 [1,0,0,1,0,0|1,0,0]=3 5703 B12R2.1081 C[C@@H]1CNCc2ccccc21 Amb30594264 [1,0,0,1,0,0|1,0,0]=3 5704 B12R2.1081 C[C@@H]1NCCc2ccccc21 Amb22751772 [1,0,0,1,0,0|1,0,0]=3 5705 B12R2.1081 C[C@H]1NCCc2ccccc21 Amb28186683 [1,0,0,1,0,0|1,0,0]=3 5706 B12R2.1081 ClC1CCCc2ccccc21 Amb9204490 [1,0,0,1,0,0|1,0,0]=3 5707 B12R2.1081 ClC1CCCc2cccnc21 Amb16234115 [1,0,0,1,0,0|2,0,0]=4 5708 B12R2.1081 ClC1CCCc2cccnc21 Amb32671478 [1,0,0,1,0,0|2,0,0]=4 5709 B12R2.1081 ClC1CCCc2cnccc21 Amb23412277 [1,0,0,1,0,0|2,0,0]=4 5710 B12R2.1081 ClC1CCCc2ncccc21 Amb25152726 [1,0,0,1,0,0|2,0,0]=4 5711 B12R2.1081 ClC1CCNc2ccccc21 Amb24636938 [1,0,0,1,0,0|2,0,0]=4 5712 B12R2.1081 ClC1CCOc2ccccc21 Amb33529009 [1,0,0,1,0,0|2,0,0]=4 5713 B12R2.1081 ClC1CCSc2ccccc21 Amb33529010 [1,0,0,1,0,0|2,0,0]=4 5714 B12R2.1081 ClC1COCc2ccccc21 Amb22490656 [1,0,0,1,0,0|2,0,0]=4 5715 B12R2.1081 ClC1CSCc2ccccc21 Amb27454843 [1,0,0,1,0,0|2,0,0]=4 5716 B12R2.1081 Cl[C@H]1CCCc2cccnc21 Amb27213220 [1,0,0,1,0,0|2,0,0]=4 5717 B12R2.1081 FC1CCNc2ccccc21 Amb28079527 [1,0,0,1,0,0|2,0,0]=4 5718 B12R2.1081 FC1CNCc2ccccc21 Amb10841578 [1,0,0,1,0,0|2,0,0]=4 5719 B12R2.1081 IC1CCCc2ccccc21 Amb33714900 [1,0,0,1,0,0|1,0,0]=3 5720 B12R2.1081 IC1CCCc2cccnc21 Amb32685579 [1,0,0,1,0,0|2,0,0]=4 5721 B12R2.1081 IC1CCNc2ccccc21 Amb24754405 [1,0,0,1,0,0|2,0,0]=4 5722 B12R2.1081 IC1CCOc2ccccc21 Amb28060969 [1,0,0,1,0,0|2,0,0]=4 5723 B12R2.1081 NC1CCCc2ccccc21 Amb24273096 [1,0,0,1,0,0|1,0,0]=3 5724 B12R2.1081 NC1CCCc2ccccc21 Amb5716841 [1,0,0,1,0,0|1,0,0]=3 5725 B12R2.1081 NC1CCCc2ccccc21 Amb6334842 [1,0,0,1,0,0|1,0,0]=3 5726 B12R2.1081 NC1CCCc2cccnc21 Amb22371548 [1,0,0,1,0,0|2,0,0]=4 5727 B12R2.1081 NC1CCCc2cccnc21 Amb8010256 [1,0,0,1,0,0|2,0,0]=4 5728 B12R2.1081 NC1CCCc2ccncc21 Amb22751608 [1,0,0,1,0,0|2,0,0]=4 5729 B12R2.1081 NC1CCCc2cnccc21 Amb20622033 [1,0,0,1,0,0|2,0,0]=4 5730 B12R2.1081 NC1CCCc2cnccc21 Amb23399856 [1,0,0,1,0,0|2,0,0]=4 5731 B12R2.1081 NC1CCCc2ncccc21 Amb22499726 [1,0,0,1,0,0|2,0,0]=4 5732 B12R2.1081 NC1CCCc2ncccc21 Amb2695428 [1,0,0,1,0,0|2,0,0]=4 5733 B12R2.1081 NC1CCNc2ccccc21 Amb22233827 [1,0,0,1,0,0|2,0,0]=4 5734 B12R2.1081 NC1CCNc2ccccc21 Amb2700188 [1,0,0,1,0,0|2,0,0]=4 5735 B12R2.1081 NC1CCOc2ccccc21 Amb5717381 [1,0,0,1,0,0|2,0,0]=4 5736 B12R2.1081 NC1CCOc2ccccc21 Amb8333718 [1,0,0,1,0,0|2,0,0]=4 5737 B12R2.1081 NC1CCSc2ccccc21 Amb6891903 [1,0,0,1,0,0|2,0,0]=4 5738 B12R2.1081 NC1CCSc2ccccc21 Amb9703514 [1,0,0,1,0,0|2,0,0]=4 5739 B12R2.1081 NC1CNCc2ccccc21 Amb19929632 [1,0,0,1,0,0|2,0,0]=4 5740 B12R2.1081 NC1COCc2ccccc21 Amb10067658 [1,0,0,1,0,0|2,0,0]=4 5741 B12R2.1081 NC1COCc2ccccc21 Amb18202067 [1,0,0,1,0,0|2,0,0]=4 5742 B12R2.1081 NC1CSCc2ccccc21 Amb10067686 [1,0,0,1,0,0|2,0,0]=4 5743 B12R2.1081 NC1CSCc2ccccc21 Amb9620859 [1,0,0,1,0,0|2,0,0]=4 5744 B12R2.1081 NN1CCCc2ccccc21 Amb33172813 [1,0,0,1,0,0|2,0,0]=4 5745 B12R2.1081 NN1CCCc2ccccc21 Amb836811 [1,0,0,1,0,0|2,0,0]=4 5746 B12R2.1081 N[C@@H]1CCCc2ccccc21 Amb10844952 [1,0,0,1,0,0|1,0,0]=3 5747 B12R2.1081 N[C@@H]1CCCc2cccnc21 Amb22748844 [1,0,0,1,0,0|2,0,0]=4 5748 B12R2.1081 N[C@@H]1CCCc2cccnc21 Amb22748845 [1,0,0,1,0,0|2,0,0]=4 5749 B12R2.1081 N[C@@H]1CCCc2cccnc21 Amb8397713 [1,0,0,1,0,0|2,0,0]=4 5750 B12R2.1081 N[C@@H]1CCCc2ccncc21 Amb26019463 [1,0,0,1,0,0|2,0,0]=4 5751 B12R2.1081 N[C@@H]1CCCc2cnccc21 Amb27864893 [1,0,0,1,0,0|2,0,0]=4 5752 B12R2.1081 N[C@@H]1CCCc2ncccc21 Amb27170343 [1,0,0,1,0,0|2,0,0]=4 5753 B12R2.1081 N[C@@H]1CCNc2ccccc21 Amb26012444 [1,0,0,1,0,0|2,0,0]=4 5754 B12R2.1081 N[C@@H]1CCOc2ccccc21 Amb13953038 [1,0,0,1,0,0|2,0,0]=4 5755 B12R2.1081 N[C@@H]1CCOc2ccccc21 Amb19515762 [1,0,0,1,0,0|2,0,0]=4 5756 B12R2.1081 N[C@@H]1CCSc2ccccc21 Amb13952927 [1,0,0,1,0,0|2,0,0]=4 5757 B12R2.1081 N[C@H]1CCCc2ccccc21 Amb19929634 [1,0,0,1,0,0|1,0,0]=3 5758 B12R2.1081 N[C@H]1CCCc2ccccc21 Amb8383429 [1,0,0,1,0,0|1,0,0]=3 5759 B12R2.1081 N[C@H]1CCCc2cccnc21 Amb33870724 [1,0,0,1,0,0|2,0,0]=4 5760 B12R2.1081 N[C@H]1CCCc2cccnc21 Amb8397714 [1,0,0,1,0,0|2,0,0]=4 5761 B12R2.1081 N[C@H]1CCCc2ccncc21 Amb25326344 [1,0,0,1,0,0|2,0,0]=4 5762 B12R2.1081 N[C@H]1CCCc2cnccc21 Amb28341706 [1,0,0,1,0,0|2,0,0]=4 5763 B12R2.1081 N[C@H]1CCNc2ccccc21 Amb25697589 [1,0,0,1,0,0|2,0,0]=4 5764 B12R2.1081 N[C@H]1CCOc2ccccc21 Amb13953039 [1,0,0,1,0,0|2,0,0]=4 5765 B12R2.1081 N[C@H]1CCOc2ccccc21 Amb24052964 [1,0,0,1,0,0|2,0,0]=4 5766 B12R2.1081 N[C@H]1CCSc2ccccc21 Amb13952928 [1,0,0,1,0,0|2,0,0]=4 5767 B12R2.1081 N[C@H]1COCc2ccccc21 Amb27839884 [1,0,0,1,0,0|2,0,0]=4 5768 B12R2.1081 O=C1CCCc2ccccc21 Amb534638 [1,0,0,1,0,0|0,0,2]=4 5769 B12R2.1081 OB1OCCc2ccccc21 Amb10070693 [1,0,0,1,0,0|2,0,0]=4 5770 B12R2.1081 OC1CCCc2ccccc21 Amb9702810 [1,0,0,1,0,0|0,0,0]=2 5771 B12R2.1081 OC1CCCc2cccnc21 Amb17935812 [1,0,0,1,0,0|1,0,0]=3 5772 B12R2.1081 OC1CCCc2cccnc21 Amb8397302 [1,0,0,1,0,0|1,0,0]=3 5773 B12R2.1081 OC1CCCc2cnccc21 Amb23399822 [1,0,0,1,0,0|1,0,0]=3 5774 B12R2.1081 OC1CCCc2nccnc21 Amb26362396 [1,0,0,1,0,0|2,0,0]=4 5775 B12R2.1081 OC1CCNc2ccccc21 Amb10553386 [1,0,0,1,0,0|1,0,0]=3 5776 B12R2.1081 OC1CCNc2ccccc21 Amb22276045 [1,0,0,1,0,0|1,0,0]=3 5777 B12R2.1081 OC1CCNc2ncccc21 Amb25931080 [1,0,0,1,0,0|2,0,0]=4 5778 B12R2.1081 OC1CCOc2ccccc21 Amb2719725 [1,0,0,1,0,0|1,0,0]=3 5779 B12R2.1081 OC1CCOc2cccnc21 Amb16233154 [1,0,0,1,0,0|2,0,0]=4 5780 B12R2.1081 OC1CCOc2cnccc21 Amb33733614 [1,0,0,1,0,0|2,0,0]=4 5781 B12R2.1081 OC1CCOc2ncccc21 Amb26071627 [1,0,0,1,0,0|2,0,0]=4 5782 B12R2.1081 OC1CCSc2ccccc21 Amb9748233 [1,0,0,1,0,0|1,0,0]=3 5783 B12R2.1081 OC1CNCc2ccccc21 Amb16233378 [1,0,0,1,0,0|1,0,0]=3 5784 B12R2.1081 OC1CNCc2ccccc21 Amb22587041 [1,0,0,1,0,0|1,0,0]=3 5785 B12R2.1081 OC1CNCc2ncccc21 Amb18201914 [1,0,0,1,0,0|2,0,0]=4 5786 B12R2.1081 OC1COCc2ccccc21 Amb20171360 [1,0,0,1,0,0|1,0,0]=3 5787 B12R2.1081 OC1CSCc2ccccc21 Amb9619601 [1,0,0,1,0,0|1,0,0]=3 5788 B12R2.1081 OC1OCCc2ccccc21 Amb27860258 [1,0,0,1,0,0|1,0,0]=3 5789 B12R2.1081 O[C@@H]1CC=Cc2ccccc21 Amb8384066 [1,0,0,1,0,0|0,0,2]=4 5790 B12R2.1081 O[C@@H]1CCCc2ccccc21 Amb22337827 [1,0,0,1,0,0|0,0,0]=2 5791 B12R2.1081 O[C@@H]1CCCc2cccnc21 Amb24062853 [1,0,0,1,0,0|1,0,0]=3 5792 B12R2.1081 O[C@@H]1CCCc2cnccc21 Amb28065163 [1,0,0,1,0,0|1,0,0]=3 5793 B12R2.1081 O[C@@H]1CCCc2ncccc21 Amb26874431 [1,0,0,1,0,0|1,0,0]=3 5794 B12R2.1081 O[C@@H]1CCOc2ccccc21 Amb561634 [1,0,0,1,0,0|1,0,0]=3 5795 B12R2.1081 O[C@@H]1CCSc2ccccc21 Amb13952924 [1,0,0,1,0,0|1,0,0]=3 5796 B12R2.1081 O[C@@H]1COCc2ccccc21 Amb22748516 [1,0,0,1,0,0|1,0,0]=3 5797 B12R2.1081 O[C@@H]1CSCc2ccccc21 Amb27836959 [1,0,0,1,0,0|1,0,0]=3 5798 B12R2.1081 O[C@H]1C=CCc2ccccc21 Amb28249097 [1,0,0,1,0,0|0,0,2]=4 5799 B12R2.1081 O[C@H]1CC=Cc2ccccc21 Amb27804916 [1,0,0,1,0,0|0,0,2]=4 5800 B12R2.1081 O[C@H]1CCCc2ccccc21 Amb22336192 [1,0,0,1,0,0|0,0,0]=2 5801 B12R2.1081 O[C@H]1CCCc2cccnc21 Amb24083650 [1,0,0,1,0,0|1,0,0]=3 5802 B12R2.1081 O[C@H]1CCCc2cnccc21 Amb32698572 [1,0,0,1,0,0|1,0,0]=3 5803 B12R2.1081 O[C@H]1CCOc2ccccc21 Amb2609035 [1,0,0,1,0,0|1,0,0]=3 5804 B12R2.1081 O[C@H]1CCSc2ccccc21 Amb13952926 [1,0,0,1,0,0|1,0,0]=3 5805 B12R2.1081 O[C@H]1CNCc2ccccc21 Amb24533225 [1,0,0,1,0,0|1,0,0]=3 5806 B12R2.1081 SC1CCCc2ccccc21 Amb9208036 [1,0,0,1,0,0|0,1,0]=3 5807 B12R2.1081 SC1CCCc2cccnc21 Amb32788872 [1,0,0,1,0,0|1,1,0]=4 5808 B12R2.1081 SC1CCCc2cnccc21 Amb32788837 [1,0,0,1,0,0|1,1,0]=4 5809 B12R2.1081 SC1CCCc2ncccc21 Amb32788546 [1,0,0,1,0,0|1,1,0]=4 5810 B12R2.1081 SC1CCNc2ccccc21 Amb26423876 [1,0,0,1,0,0|1,1,0]=4 5811 B12R2.1081 SC1CCOc2ccccc21 Amb9208037 [1,0,0,1,0,0|1,1,0]=4 5812 B12R2.1081 SC1CCSc2ccccc21 Amb9208043 [1,0,0,1,0,0|1,1,0]=4 5813 B12R2.1081 SC1COCc2ccccc21 Amb28349489 [1,0,0,1,0,0|1,1,0]=4 5814 B12R2.1081 SC1CSCc2ccccc21 Amb32788444 [1,0,0,1,0,0|1,1,0]=4 5815 B12R2.1081 [NH3+]C1CCCc2ccccc21 Amb24113843 [1,0,0,1,0,0|1,0,0]=3 5816 B12R2.2057 C(#CC1CO1)c2ccccc2 Amb25309852 [1,0,0,1,0,0|0,0,2]=4 5817 B12R2.2057 C(=C\C1CO1)/c2ccccc2 Amb32954418 [1,0,0,1,0,0|0,0,2]=4 5818 B12R2.2057 C(=C\[C@@H]1CO1)/c2ccccc2 Amb33081122 [1,0,0,1,0,0|0,0,2]=4 5819 B12R2.2057 C(=C\[C@H]1CO1)/c2ccccc2 Amb33081121 [1,0,0,1,0,0|0,0,2]=4 5820 B12R2.2057 c1cc(CNC2CC2)ccn1 Amb22587107 [1,0,0,1,0,0|2,0,0]=4 5821 B12R2.2057 c1cc(CNC2CC2)ccn1 Amb6356063 [1,0,0,1,0,0|2,0,0]=4 5822 B12R2.2057 c1cc(NCC2CC2)ccn1 Amb2383010 [1,0,0,1,0,0|2,0,0]=4 5823 B12R2.2057 c1cc(SCC2CC2)ccn1 Amb27979300 [1,0,0,1,0,0|2,0,0]=4 5824 B12R2.2057 c1cc(SC[C@@H]2CO2)ccn1 Amb27425165 [1,0,0,1,0,0|2,0,0]=4 5825 B12R2.2057 c1cc(SC[C@H]2CO2)ccn1 Amb27589852 [1,0,0,1,0,0|2,0,0]=4 5826 B12R2.2057 c1ccc(CCC2CO2)cc1 Amb33540498 [1,0,0,1,0,0|0,0,0]=2 5827 B12R2.2057 c1ccc(CC[C@@H]2CO2)cc1 Amb32951908 [1,0,0,1,0,0|0,0,0]=2 5828 B12R2.2057 c1ccc(CC[C@H]2CO2)cc1 Amb33082099 [1,0,0,1,0,0|0,0,0]=2 5829 B12R2.2057 c1ccc(CNC2CC2)cc1 Amb19515725 [1,0,0,1,0,0|1,0,0]=3 5830 B12R2.2057 c1ccc(CNC2CC2)cc1 Amb6662862 [1,0,0,1,0,0|1,0,0]=3 5831 B12R2.2057 c1ccc(CNC2CC2)nc1 Amb6356061 [1,0,0,1,0,0|2,0,0]=4 5832 B12R2.2057 c1ccc(CNC2CC2)nc1 Amb8469754 [1,0,0,1,0,0|2,0,0]=4 5833 B12R2.2057 c1ccc(COC2CC2)cc1 Amb27481431 [1,0,0,1,0,0|1,0,0]=3 5834 B12R2.2057 c1ccc(COC2CO2)cc1 Amb26064453 [1,0,0,1,0,0|1,0,0]=3 5835 B12R2.2057 c1ccc(NCC2CC2)cc1 Amb2383311 [1,0,0,1,0,0|1,0,0]=3 5836 B12R2.2057 c1ccc(NCC2CO2)cc1 Amb27413107 [1,0,0,1,0,0|1,0,0]=3 5837 B12R2.2057 c1ccc(NCC2CO2)nc1 Amb28343184 [1,0,0,1,0,0|2,0,0]=4 5838 B12R2.2057 c1ccc(OCC2CC2)cc1 Amb22752457 [1,0,0,1,0,0|1,0,0]=3 5839 B12R2.2057 c1ccc(OCC2CC2)nc1 Amb24725808 [1,0,0,1,0,0|2,0,0]=4 5840 B12R2.2057 c1ccc(OCC2CO2)cc1 Amb9722480 [1,0,0,1,0,0|1,0,0]=3 5841 B12R2.2057 c1ccc(OC[C@@H]2CO2)cc1 Amb8389341 [1,0,0,1,0,0|1,0,0]=3 5842 B12R2.2057 c1ccc(SCC2CC2)cc1 Amb27485492 [1,0,0,1,0,0|1,0,0]=3 5843 B12R2.2057 c1ccc(SCC2CO2)cc1 Amb33534075 [1,0,0,1,0,0|1,0,0]=3 5844 B12R2.2057 c1ccc(SC[C@@H]2CO2)nc1 Amb27208275 [1,0,0,1,0,0|2,0,0]=4 5845 B12R2.2057 c1ccc(SC[C@H]2CO2)cc1 Amb27775617 [1,0,0,1,0,0|1,0,0]=3 5846 B12R2.2057 c1ccc(SC[C@H]2CO2)nc1 Amb28453705 [1,0,0,1,0,0|2,0,0]=4 5847 B12R2.2057 c1cncc(CNC2CC2)c1 Amb22587112 [1,0,0,1,0,0|2,0,0]=4 5848 B12R2.2057 c1cncc(CNC2CC2)c1 Amb6356062 [1,0,0,1,0,0|2,0,0]=4 5849 B12R2.2057 c1cncc(CNC2CC2)c1 Amb6797221 [1,0,0,1,0,0|2,0,0]=4 5850 B12R2.2057 c1cncc(NCC2CC2)c1 Amb2382997 [1,0,0,1,0,0|2,0,0]=4 5851 B12R2.2057 c1cncc(NCC2CO2)c1 Amb27483153 [1,0,0,1,0,0|2,0,0]=4 5852 B12R2.2057 c1cncc(OCC2CO2)c1 Amb27233095 [1,0,0,1,0,0|2,0,0]=4 5853 B12R2.2058 B1CC(Cc2ccccc2)C1 Amb25243383 [1,0,0,1,0,0|1,0,0]=3 5854 B12R2.2058 c1cc(CC2CNC2)ccn1 Amb23598871 [1,0,0,1,0,0|2,0,0]=4 5855 B12R2.2058 c1cc(CC2CNC2)ccn1 Amb35746796 [1,0,0,1,0,0|2,0,0]=4 5856 B12R2.2058 c1cc(CC2COC2)ccn1 Amb32456061 [1,0,0,1,0,0|2,0,0]=4 5857 B12R2.2058 c1cc(NC2CCC2)ccn1 Amb18285881 [1,0,0,1,0,0|2,0,0]=4 5858 B12R2.2058 c1ccc(CC2CCN2)cc1 Amb33552346 [1,0,0,1,0,0|1,0,0]=3 5859 B12R2.2058 c1ccc(CC2CCN2)cc1 Amb7808794 [1,0,0,1,0,0|1,0,0]=3 5860 B12R2.2058 c1ccc(CC2CNC2)cc1 Amb1123190 [1,0,0,1,0,0|1,0,0]=3 5861 B12R2.2058 c1ccc(CC2CNC2)cc1 Amb19373673 [1,0,0,1,0,0|1,0,0]=3 5862 B12R2.2058 c1ccc(CC2CNC2)nc1 Amb23598870 [1,0,0,1,0,0|2,0,0]=4 5863 B12R2.2058 c1ccc(CC2COC2)cc1 Amb27602505 [1,0,0,1,0,0|1,0,0]=3 5864 B12R2.2058 c1ccc(CN2CCC2)cc1 Amb27391196 [1,0,0,1,0,0|1,0,0]=3 5865 B12R2.2058 c1ccc(CN2CCC2)nc1 Amb28197112 [1,0,0,1,0,0|2,0,0]=4 5866 B12R2.2058 c1ccc(NC2CCC2)cc1 Amb18283820 [1,0,0,1,0,0|1,0,0]=3 5867 B12R2.2058 c1ccc(NC2CCC2)nc1 Amb18285901 [1,0,0,1,0,0|2,0,0]=4 5868 B12R2.2058 c1ccc(NC2CNC2)cc1 Amb27252900 [1,0,0,1,0,0|2,0,0]=4 5869 B12R2.2058 c1ccc(NC2CNC2)cc1 Amb32686264 [1,0,0,1,0,0|2,0,0]=4 5870 B12R2.2058 c1ccc(NC2COC2)cc1 Amb33538163 [1,0,0,1,0,0|2,0,0]=4 5871 B12R2.2058 c1ccc(OC2CNC2)cc1 Amb15701497 [1,0,0,1,0,0|2,0,0]=4 5872 B12R2.2058 c1ccc(OC2CNC2)cc1 Amb19312256 [1,0,0,1,0,0|2,0,0]=4 5873 B12R2.2058 c1ccc(SC2CCC2)cc1 Amb10976023 [1,0,0,1,0,0|1,0,0]=3 5874 B12R2.2058 c1ccc(SC2CNC2)cc1 Amb18798478 [1,0,0,1,0,0|2,0,0]=4 5875 B12R2.2058 c1ccc(SC2COC2)cc1 Amb25145934 [1,0,0,1,0,0|2,0,0]=4 5876 B12R2.2058 c1cncc(CC2CNC2)c1 Amb23598850 [1,0,0,1,0,0|2,0,0]=4 5877 B12R2.2058 c1cncc(CC2COC2)c1 Amb32456059 [1,0,0,1,0,0|2,0,0]=4 5878 B12R2.2058 c1cncc(CN2CCC2)c1 Amb28046964 [1,0,0,1,0,0|2,0,0]=4 5879 B12R2.2058 c1cncc(NC2CCC2)c1 Amb18957036 [1,0,0,1,0,0|2,0,0]=4 5880 B12R2.10 BrC1CCCC1c2ccco2 Amb28063202 [0,0,0,1,1,0|2,0,0]=4 5881 B12R2.10 ClC1CCCC1c2cccs2 Amb19070691 [0,0,0,1,1,0|2,0,0]=4 5882 B12R2.10 ClC1CCCC1c2ccoc2 Amb28285336 [0,0,0,1,1,0|2,0,0]=4 5883 B12R2.10 ClC1CCCC1c2ccsc2 Amb27395403 [0,0,0,1,1,0|2,0,0]=4 5884 B12R2.10 NC1CCCC1c2ccco2 Amb28138797 [0,0,0,1,1,0|2,0,0]=4 5885 B12R2.10 NC1CCCC1c2cccs2 Amb18947764 [0,0,0,1,1,0|2,0,0]=4 5886 B12R2.10 OC1CCCC1c2ccco2 Amb24718657 [0,0,0,1,1,0|1,0,0]=3 5887 B12R2.10 OC1CCCC1c2cccs2 Amb18182687 [0,0,0,1,1,0|1,0,0]=3 5888 B12R2.10 OC1CCCC1c2ccns2 Amb26630649 [0,0,0,1,1,0|2,0,0]=4 5889 B12R2.10 OC1CCCC1c2ccoc2 Amb25262981 [0,0,0,1,1,0|1,0,0]=3 5890 B12R2.10 OC1CCCC1c2ccsc2 Amb25693528 [0,0,0,1,1,0|1,0,0]=3 5891 B12R2.10 OC1CCCC1c2ccsn2 Amb25981443 [0,0,0,1,1,0|2,0,0]=4 5892 B12R2.10 OC1CCCC1c2cncs2 Amb32945379 [0,0,0,1,1,0|2,0,0]=4 5893 B12R2.10 OC1CCCC1c2cnsc2 Amb29868348 [0,0,0,1,1,0|2,0,0]=4 5894 B12R2.10 OC1CCCC1c2cscn2 Amb27188268 [0,0,0,1,1,0|2,0,0]=4 5895 B12R2.10 OC1CCCC1c2nccs2 Amb33213320 [0,0,0,1,1,0|2,0,0]=4 5896 B12R2.10 OC1CCCC1n2cccn2 Amb13952665 [0,0,0,1,1,0|2,0,0]=4 5897 B12R2.10 OC1CCCC1n2ccnc2 Amb18182783 [0,0,0,1,1,0|2,0,0]=4 5898 B12R2.10 OC1CCNC1c2ccco2 Amb27623734 [0,0,0,1,1,0|2,0,0]=4 5899 B12R2.10 OC1CCNC1c2cccs2 Amb18199051 [0,0,0,1,1,0|2,0,0]=4 5900 B12R2.10 OC1CNCC1c2ccco2 Amb33213398 [0,0,0,1,1,0|2,0,0]=4 5901 B12R2.10 OC1CNCC1c2cccs2 Amb32950703 [0,0,0,1,1,0|2,0,0]=4 5902 B12R2.10 OC1CNCC1c2ccoc2 Amb32950502 [0,0,0,1,1,0|2,0,0]=4 5903 B12R2.10 OC1CNCC1c2ccsc2 Amb33213286 [0,0,0,1,1,0|2,0,0]=4 5904 B12R2.10 OC1CNCC1n2cccc2 Amb35663821 [0,0,0,1,1,0|2,0,0]=4 5905 B12R2.10 OC1COCC1c2ccco2 Amb23448390 [0,0,0,1,1,0|2,0,0]=4 5906 B12R2.10 OC1COCC1c2cccs2 Amb23448391 [0,0,0,1,1,0|2,0,0]=4 5907 B12R2.10 OC1COCC1c2ccoc2 Amb32950033 [0,0,0,1,1,0|2,0,0]=4 5908 B12R2.10 OC1COCC1c2ccsc2 Amb32950421 [0,0,0,1,1,0|2,0,0]=4 5909 B12R2.10 OC1COCC1n2cccc2 Amb28399662 [0,0,0,1,1,0|2,0,0]=4 5910 B12R2.10 O[C@@H]1CCC[C@@H]1n2ccnc2 Amb27849010 [0,0,0,1,1,0|2,0,0]=4 5911 B12R2.10 O[C@@H]1CCC[C@H]1c2ccco2 Amb24576983 [0,0,0,1,1,0|1,0,0]=3 5912 B12R2.10 O[C@@H]1CCC[C@H]1c2cccs2 Amb28075163 [0,0,0,1,1,0|1,0,0]=3 5913 B12R2.10 O[C@@H]1CCC[C@H]1c2ccns2 Amb33212813 [0,0,0,1,1,0|2,0,0]=4 5914 B12R2.10 O[C@@H]1CCC[C@H]1c2ccoc2 Amb32950229 [0,0,0,1,1,0|1,0,0]=3 5915 B12R2.10 O[C@@H]1CCC[C@H]1c2ccsc2 Amb32950993 [0,0,0,1,1,0|1,0,0]=3 5916 B12R2.10 O[C@@H]1CCC[C@H]1c2ccsn2 Amb32950017 [0,0,0,1,1,0|2,0,0]=4 5917 B12R2.10 O[C@@H]1CCC[C@H]1c2cncs2 Amb32945975 [0,0,0,1,1,0|2,0,0]=4 5918 B12R2.10 O[C@@H]1CCC[C@H]1c2cnsc2 Amb32945025 [0,0,0,1,1,0|2,0,0]=4 5919 B12R2.10 O[C@@H]1CCC[C@H]1c2cscn2 Amb32951062 [0,0,0,1,1,0|2,0,0]=4 5920 B12R2.10 O[C@@H]1CCC[C@H]1c2nccs2 Amb32945114 [0,0,0,1,1,0|2,0,0]=4 5921 B12R2.10 O[C@@H]1CCC[C@H]1n2cccn2 Amb19314474 [0,0,0,1,1,0|2,0,0]=4 5922 B12R2.10 O[C@@H]1CNC[C@@H]1n2cccc2 Amb35665242 [0,0,0,1,1,0|2,0,0]=4 5923 B12R2.10 O[C@@H]1CNC[C@H]1c2ccco2 Amb33213561 [0,0,0,1,1,0|2,0,0]=4 5924 B12R2.10 O[C@@H]1CNC[C@H]1c2cccs2 Amb33212795 [0,0,0,1,1,0|2,0,0]=4 5925 B12R2.10 O[C@@H]1CNC[C@H]1c2ccoc2 Amb32945247 [0,0,0,1,1,0|2,0,0]=4 5926 B12R2.10 O[C@@H]1CNC[C@H]1c2ccsc2 Amb33212798 [0,0,0,1,1,0|2,0,0]=4 5927 B12R2.10 O[C@@H]1CNC[C@H]1n2cccc2 Amb35665348 [0,0,0,1,1,0|2,0,0]=4 5928 B12R2.10 O[C@@H]1COC[C@H]1c2ccco2 Amb32945241 [0,0,0,1,1,0|2,0,0]=4 5929 B12R2.10 O[C@@H]1COC[C@H]1c2cccs2 Amb32945156 [0,0,0,1,1,0|2,0,0]=4 5930 B12R2.10 O[C@@H]1COC[C@H]1c2ccoc2 Amb32951006 [0,0,0,1,1,0|2,0,0]=4 5931 B12R2.10 O[C@@H]1COC[C@H]1c2ccsc2 Amb33212950 [0,0,0,1,1,0|2,0,0]=4 5932 B12R2.10 O[C@H]1CCC[C@@H]1c2ccco2 Amb28130184 [0,0,0,1,1,0|1,0,0]=3 5933 B12R2.10 O[C@H]1CCC[C@@H]1n2cccn2 Amb27436821 [0,0,0,1,1,0|2,0,0]=4 5934 B12R2.10 O[C@H]1CCC[C@@H]1n2ccnc2 Amb28369148 [0,0,0,1,1,0|2,0,0]=4 5935 B12R2.10 O[C@H]1CCC[C@H]1c2ccco2 Amb27650469 [0,0,0,1,1,0|1,0,0]=3 5936 B12R2.12 OC1CCC1Cc2ccco2 Amb32950896 [0,0,0,1,1,0|1,0,0]=3 5937 B12R2.12 OC1CCC1Cc2cccs2 Amb32945077 [0,0,0,1,1,0|1,0,0]=3 5938 B12R2.12 OC1CCC1Cc2ccns2 Amb33212929 [0,0,0,1,1,0|2,0,0]=4 5939 B12R2.12 OC1CCC1Cc2ccoc2 Amb33213619 [0,0,0,1,1,0|1,0,0]=3 5940 B12R2.12 OC1CCC1Cc2ccsc2 Amb32950755 [0,0,0,1,1,0|1,0,0]=3 5941 B12R2.12 OC1CCC1Cc2cncs2 Amb32944571 [0,0,0,1,1,0|2,0,0]=4 5942 B12R2.12 OC1CCC1Cc2cscn2 Amb32951025 [0,0,0,1,1,0|2,0,0]=4 5943 B12R2.12 OC1CCC1Cc2nccs2 Amb32944548 [0,0,0,1,1,0|2,0,0]=4 5944 B12R2.14 CCCC1CC1n2cccc2 Amb28240848 [0,0,0,1,1,0|2,0,0]=4 5945 B12R2.20 NC1CC1CCc2ccsc2 Amb33322005 [0,0,0,1,1,0|2,0,0]=4 5946 B12R2.20 N[C@@H]1C[C@H]1CCc2ccsc2 Amb33322006 [0,0,0,1,1,0|2,0,0]=4 5947 B12R2.98 C1=CC(CC2OCCO2)=CC1 Amb25149360 [0,0,0,1,1,0|1,0,1]=4 5948 B12R2.98 c1cc(CC2CCCN2)co1 Amb25202531 [0,0,0,1,1,0|2,0,0]=4 5949 B12R2.98 c1cc(CC2CCCN2)cs1 Amb25308856 [0,0,0,1,1,0|2,0,0]=4 5950 B12R2.98 c1ccn(CC2CCCC2)c1 Amb9371396 [0,0,0,1,1,0|2,0,0]=4 5951 B12R2.98 c1ccn(CC2CCCN2)c1 Amb5744326 [0,0,0,1,1,0|2,0,0]=4 5952 B12R2.98 c1coc(CC2CCCN2)c1 Amb28424274 [0,0,0,1,1,0|2,0,0]=4 5953 B12R2.98 c1coc(CN2CCCO2)c1 Amb27802231 [0,0,0,1,1,0|2,0,0]=4 5954 B12R2.98 c1csc(CC2CCCN2)c1 Amb13951906 [0,0,0,1,1,0|2,0,0]=4 5955 B12R2.98 c1csc(CC2CCCN2)c1 Amb4134993 [0,0,0,1,1,0|2,0,0]=4 5956 B12R2.98 c1csc(C[C@@H]2CCCN2)c1 Amb33456986 [0,0,0,1,1,0|2,0,0]=4 5957 B12R2.98 c1csc(C[C@H]2CCCN2)c1 Amb27777321 [0,0,0,1,1,0|2,0,0]=4 5958 B12R2.98 c1csc(SC2CCCO2)c1 Amb27176682 [0,0,0,1,1,0|2,0,0]=4 5959 B12R2.98 c1ncc(CC2CCCO2)o1 Amb35652448 [0,0,0,1,1,0|2,0,0]=4 5960 B12R2.144 NCCC1CCc2ccsc21 Amb28323538 [0,0,0,1,1,0|2,0,0]=4 5961 B12R2.144 NCCC1CCc2cscc21 Amb28368597 [0,0,0,1,1,0|2,0,0]=4 5962 B12R2.144 NCCC1CCc2occc21 Amb18201655 [0,0,0,1,1,0|2,0,0]=4 5963 B12R2.144 NCCC1CCc2sccc21 Amb18199400 [0,0,0,1,1,0|2,0,0]=4 5964 B12R2.229 NC1CCCCc2sccc21 Amb28282749 [0,0,0,1,1,0|2,0,0]=4 5965 B12R2.229 OC1CCNCc2ccoc21 Amb28061605 [0,0,0,1,1,0|2,0,0]=4 5966 B12R2.229 OC1CCNCc2ccsc21 Amb28293124 [0,0,0,1,1,0|2,0,0]=4 5967 B12R2.229 OC1CNCCc2sccc21 Amb22388957 [0,0,0,1,1,0|2,0,0]=4 5968 B12R2.315 BrCC1CCCc2cccn21 Amb32681981 [0,0,0,1,1,0|2,0,0]=4 5969 B12R2.315 BrCC1CCCc2sccc21 Amb27805664 [0,0,0,1,1,0|2,0,0]=4 5970 B12R2.315 ClCC1CCCc2cccn21 Amb32681982 [0,0,0,1,1,0|2,0,0]=4 5971 B12R2.315 NCC1CCCc2cocc21 Amb27419823 [0,0,0,1,1,0|2,0,0]=4 5972 B12R2.315 NCC1CCCc2sccc21 Amb18948477 [0,0,0,1,1,0|2,0,0]=4 5973 B12R2.315 NCC1CCCn2cccc21 Amb25144105 [0,0,0,1,1,0|2,0,0]=4 5974 B12R2.315 OCC1CCCc2cccn21 Amb27659460 [0,0,0,1,1,0|1,0,0]=3 5975 B12R2.315 OCC1CCCc2nccn21 Amb25891614 [0,0,0,1,1,0|2,0,0]=4 5976 B12R2.315 OCC1CCCc2scnc21 Amb26955842 [0,0,0,1,1,0|2,0,0]=4 5977 B12R2.315 OCC1CCCn2cncc21 Amb33328497 [0,0,0,1,1,0|2,0,0]=4 5978 B12R2.315 OCC1NCCc2ccoc21 Amb32647796 [0,0,0,1,1,0|2,0,0]=4 5979 B12R2.315 OCC1NCCc2ccsc21 Amb32646939 [0,0,0,1,1,0|2,0,0]=4 5980 B12R2.315 OCC1NCCc2occc21 Amb25057457 [0,0,0,1,1,0|2,0,0]=4 5981 B12R2.315 OCC1NCCc2sccc21 Amb22642164 [0,0,0,1,1,0|2,0,0]=4 5982 B12R2.315 OC[C@@H]1CCCn2cccc21 Amb27803662 [0,0,0,1,1,0|1,0,0]=3 5983 B12R2.315 OC[C@H]1CCCc2ccoc21 Amb27981807 [0,0,0,1,1,0|1,0,0]=3 5984 B12R2.315 OC[C@H]1CCCc2scnc21 Amb27823557 [0,0,0,1,1,0|2,0,0]=4 5985 B12R2.315 ONC1CCCc2occc21 Amb28048380 [0,0,0,1,1,0|2,0,0]=4 5986 B12R2.2056 c1cc(CCC2CCN2)cs1 Amb33321988 [0,0,0,1,1,0|2,0,0]=4 5987 B12R2.2383 c1cc(CCCC2CO2)cs1 Amb28387455 [0,0,0,1,1,0|1,0,0]=3 5988 B12R2.2383 c1ccn(CCCC2CC2)c1 Amb27986828 [0,0,0,1,1,0|2,0,0]=4 5989 B12R2.2383 c1cn(CCCC2CO2)cn1 Amb27269462 [0,0,0,1,1,0|2,0,0]=4 5990 B12R2.2383 c1cnn(CCCC2CO2)c1 Amb27269463 [0,0,0,1,1,0|2,0,0]=4 5991 B12R2.2383 c1coc(COCC2CO2)c1 Amb9722463 [0,0,0,1,1,0|2,0,0]=4 5992 B12R2.2383 c1csc(CCCC2CO2)c1 Amb28387456 [0,0,0,1,1,0|1,0,0]=3 5993 B12R2.2383 c1csc(COCC2CO2)c1 Amb9703481 [0,0,0,1,1,0|2,0,0]=4 5994 B12R2.2383 c1csc(SCCC2CO2)c1 Amb27269427 [0,0,0,1,1,0|2,0,0]=4 5995 B14R2.21 BrC1CCOC(c2ccccc2)C1 Amb25954318 [0,1,0,1,0,0|0,0,0]=2 5996 B14R2.21 BrC1CCOC(c2cccnc2)C1 Amb26585615 [0,1,0,1,0,0|1,0,0]=3 5997 B14R2.21 Br[C@@H]1CCO[C@@H](c2ccccc2)C1 Amb27211880 [0,1,0,1,0,0|0,0,0]=2 5998 B14R2.21 Br[C@H]1CCO[C@H](c2ccccc2)C1 Amb22898808 [0,1,0,1,0,0|0,0,0]=2 5999 B14R2.21 Brc1cc(C2CCCCC2)ccn1 Amb10600465 [0,1,0,1,0,0|2,0,0]=4 6000 B14R2.21 Brc1cc(C2CCCCO2)ccn1 Amb24322636 [0,1,0,1,0,0|1,0,0]=3 6001 B14R2.21 Brc1cc(C2COCCO2)ccn1 Amb24318988 [0,1,0,1,0,0|2,0,0]=4 6002 B14R2.21 Brc1cc([C@H]2CCCCN2)ccn1 Amb27654909 [0,1,0,1,0,0|2,0,0]=4 6003 B14R2.21 Brc1cccc(C2=CCCCC2)c1 Amb28242295 [0,1,0,1,0,0|1,0,1]=4 6004 B14R2.21 Brc1cccc(C2CCCCC2)c1 Amb20617101 [0,1,0,1,0,0|1,0,0]=3 6005 B14R2.21 Brc1cccc(C2CCCCC2)n1 Amb10599289 [0,1,0,1,0,0|2,0,0]=4 6006 B14R2.21 Brc1cccc(C2CCCCN2)c1 Amb17659208 [0,1,0,1,0,0|1,0,0]=3 6007 B14R2.21 Brc1cccc(C2CCCCN2)n1 Amb25104708 [0,1,0,1,0,0|2,0,0]=4 6008 B14R2.21 Brc1cccc(C2CCCCO2)n1 Amb24320480 [0,1,0,1,0,0|1,0,0]=3 6009 B14R2.21 Brc1cccc(C2CCCNC2)c1 Amb17348340 [0,1,0,1,0,0|2,0,0]=4 6010 B14R2.21 Brc1cccc(C2CCCOC2)c1 Amb20617108 [0,1,0,1,0,0|2,0,0]=4 6011 B14R2.21 Brc1cccc(C2CCNCC2)c1 Amb3933609 [0,1,0,1,0,0|2,0,0]=4 6012 B14R2.21 Brc1cccc(C2CCNCC2)c1 Amb8631534 [0,1,0,1,0,0|2,0,0]=4 6013 B14R2.21 Brc1cccc(C2CCOCC2)c1 Amb20617105 [0,1,0,1,0,0|2,0,0]=4 6014 B14R2.21 Brc1cccc(C2CNCCN2)c1 Amb2696007 [0,1,0,1,0,0|2,0,0]=4 6015 B14R2.21 Brc1cccc(C2CNCCN2)c1 Amb8630158 [0,1,0,1,0,0|2,0,0]=4 6016 B14R2.21 Brc1cccc(C2CNCCO2)c1 Amb9004287 [0,1,0,1,0,0|1,0,0]=3 6017 B14R2.21 Brc1cccc(C2CNCCO2)n1 Amb24319010 [0,1,0,1,0,0|2,0,0]=4 6018 B14R2.21 Brc1cccc(C2CNCCS2)c1 Amb17266220 [0,1,0,1,0,0|1,1,0]=4 6019 B14R2.21 Brc1cccc(C2COCCN2)c1 Amb25881621 [0,1,0,1,0,0|2,0,0]=4 6020 B14R2.21 Brc1cccc(C2COCCN2)c1 Amb28556033 [0,1,0,1,0,0|2,0,0]=4 6021 B14R2.21 Brc1cccc(C2COCCO2)c1 Amb18559423 [0,1,0,1,0,0|1,0,0]=3 6022 B14R2.21 Brc1cccc(C2COCCO2)n1 Amb24318972 [0,1,0,1,0,0|2,0,0]=4 6023 B14R2.21 Brc1cccc(C2NCCCO2)c1 Amb17349003 [0,1,0,1,0,0|1,0,0]=3 6024 B14R2.21 Brc1cccc(C2NCCCS2)c1 Amb8383056 [0,1,0,1,0,0|1,1,0]=4 6025 B14R2.21 Brc1cccc(C2OCCCO2)c1 Amb3941066 [0,1,0,1,0,0|1,0,0]=3 6026 B14R2.21 Brc1cccc(N2CCCCC2)c1 Amb2723549 [0,1,0,1,0,0|2,0,0]=4 6027 B14R2.21 Brc1cccc([C@@H]2CCCNC2)c1 Amb28398615 [0,1,0,1,0,0|2,0,0]=4 6028 B14R2.21 Brc1cccc([C@@H]2COCCN2)c1 Amb27411979 [0,1,0,1,0,0|2,0,0]=4 6029 B14R2.21 Brc1cccc([C@H]2CNCCN2)c1 Amb27961427 [0,1,0,1,0,0|2,0,0]=4 6030 B14R2.21 Brc1ccnc(C2CCCCC2)c1 Amb10599779 [0,1,0,1,0,0|2,0,0]=4 6031 B14R2.21 Brc1ccnc(C2CCCCO2)c1 Amb24322611 [0,1,0,1,0,0|1,0,0]=3 6032 B14R2.21 Brc1ccnc(C2CCCCO2)n1 Amb24322620 [0,1,0,1,0,0|2,0,0]=4 6033 B14R2.21 Brc1ccnc([C@H]2CCCCN2)c1 Amb28323188 [0,1,0,1,0,0|2,0,0]=4 6034 B14R2.21 Brc1cncc(C2CCCCC2)c1 Amb20617720 [0,1,0,1,0,0|2,0,0]=4 6035 B14R2.21 Brc1cncc(C2CCCCN2)c1 Amb2234925 [0,1,0,1,0,0|2,0,0]=4 6036 B14R2.21 Brc1cncc(C2CCCCN2)c1 Amb30634249 [0,1,0,1,0,0|2,0,0]=4 6037 B14R2.21 Brc1cncc(C2CCCCO2)n1 Amb24322615 [0,1,0,1,0,0|2,0,0]=4 6038 B14R2.21 Brc1cncc(C2CNCCO2)c1 Amb24320757 [0,1,0,1,0,0|2,0,0]=4 6039 B14R2.21 Brc1cncc(C2COCCO2)c1 Amb24320758 [0,1,0,1,0,0|2,0,0]=4 6040 B14R2.21 Brc1nccc(C2CCCCO2)n1 Amb24322617 [0,1,0,1,0,0|2,0,0]=4 6041 B14R2.21 C=C1OCCC(c2ccccc2)O1 Amb25897352 [0,1,0,1,0,0|1,0,1]=4 6042 B14R2.21 CC1CC(c2ccccc2)CCN1 Amb25765759 [0,1,0,1,0,0|2,0,0]=4 6043 B14R2.21 CC1CC(c2ccccc2)OCN1 Amb27793423 [0,1,0,1,0,0|1,0,0]=3 6044 B14R2.21 CC1CCCC(c2ccccc2)N1 Amb5717718 [0,1,0,1,0,0|1,0,0]=3 6045 B14R2.21 CC1CCCN(c2ccccc2)N1 Amb13949053 [0,1,0,1,0,0|2,0,0]=4 6046 B14R2.21 CC1CCNC(c2ccccc2)C1 Amb24066154 [0,1,0,1,0,0|1,0,0]=3 6047 B14R2.21 CC1CCNC(c2ccccc2)S1 Amb27757530 [0,1,0,1,0,0|1,1,0]=4 6048 B14R2.21 CC1CCNC(c2cccnc2)C1 Amb27882256 [0,1,0,1,0,0|2,0,0]=4 6049 B14R2.21 CC1CCOC(c2ccccc2)O1 Amb9787478 [0,1,0,1,0,0|1,0,0]=3 6050 B14R2.21 CC1CNCC(c2ccccc2)C1 Amb33531683 [0,1,0,1,0,0|2,0,0]=4 6051 B14R2.21 CC1CNCC(c2ccccc2)O1 Amb8868478 [0,1,0,1,0,0|1,0,0]=3 6052 B14R2.21 CC1CNCC(c2ccccn2)O1 Amb17138872 [0,1,0,1,0,0|2,0,0]=4 6053 B14R2.21 CC1COCC(c2ccccc2)N1 Amb18065682 [0,1,0,1,0,0|2,0,0]=4 6054 B14R2.21 CC1COCC(c2ccccc2)N1 Amb32701606 [0,1,0,1,0,0|2,0,0]=4 6055 B14R2.21 CC1CSCC(c2ccccc2)N1 Amb27606289 [0,1,0,1,0,0|2,0,0]=4 6056 B14R2.21 CC1NC(c2ccccc2)CCO1 Amb33193177 [0,1,0,1,0,0|2,0,0]=4 6057 B14R2.21 CN1CCCC(c2ccccc2)C1 Amb27467534 [0,1,0,1,0,0|2,0,0]=4 6058 B14R2.21 CN1CCCC(c2cccnc2)O1 Amb28067694 [0,1,0,1,0,0|2,0,0]=4 6059 B14R2.21 CN1CCC[C@@H](c2cccnc2)O1 Amb17617753 [0,1,0,1,0,0|2,0,0]=4 6060 B14R2.21 CN1CCNC(c2ccccc2)C1 Amb1672626 [0,1,0,1,0,0|2,0,0]=4 6061 B14R2.21 CN1CCNC(c2ccccc2)C1 Amb24064755 [0,1,0,1,0,0|2,0,0]=4 6062 B14R2.21 CN1CCN[C@@H](c2ccccc2)C1 Amb22032546 [0,1,0,1,0,0|2,0,0]=4 6063 B14R2.21 C[C@@H]1CCC[C@H](c2ccccc2)N1 Amb24710306 [0,1,0,1,0,0|1,0,0]=3 6064 B14R2.21 C[C@@H]1CNC[C@H](c2ccccc2)O1 Amb26585104 [0,1,0,1,0,0|1,0,0]=3 6065 B14R2.21 C[C@@H]1COC[C@H](c2ccccc2)N1 Amb32664704 [0,1,0,1,0,0|2,0,0]=4 6066 B14R2.21 C[C@@H]1COC[C@H](c2ccccc2)N1 Amb32664712 [0,1,0,1,0,0|2,0,0]=4 6067 B14R2.21 C[C@@H]1C[C@H](c2ccccc2)OCN1 Amb28071206 [0,1,0,1,0,0|1,0,0]=3 6068 B14R2.21 C[C@H]1CCC[C@@H](c2ccccc2)N1 Amb28052152 [0,1,0,1,0,0|1,0,0]=3 6069 B14R2.21 C[C@H]1CCO[C@@H](c2ccccc2)N1 Amb27213219 [0,1,0,1,0,0|1,0,0]=3 6070 B14R2.21 C[NH+]1CC[NH2+]C(c2ccccc2)C1 Amb33513135 [0,1,0,1,0,0|2,0,0]=4 6071 B14R2.21 Cc1cc(C2CCCCN2)ccn1 Amb23537226 [0,1,0,1,0,0|2,0,0]=4 6072 B14R2.21 Cc1cc(C2CNCCO2)ccn1 Amb25924254 [0,1,0,1,0,0|2,0,0]=4 6073 B14R2.21 Cc1cccc(C2=CCCCC2)c1 Amb4019990 [0,1,0,1,0,0|1,0,1]=4 6074 B14R2.21 Cc1cccc(C2CCCCC2)c1 Amb24634647 [0,1,0,1,0,0|1,0,0]=3 6075 B14R2.21 Cc1cccc(C2CCCCN2)c1 Amb2235540 [0,1,0,1,0,0|1,0,0]=3 6076 B14R2.21 Cc1cccc(C2CCCCN2)c1 Amb35751721 [0,1,0,1,0,0|1,0,0]=3 6077 B14R2.21 Cc1cccc(C2CCCCN2)n1 Amb23444608 [0,1,0,1,0,0|2,0,0]=4 6078 B14R2.21 Cc1cccc(C2CCCNC2)c1 Amb10607437 [0,1,0,1,0,0|2,0,0]=4 6079 B14R2.21 Cc1cccc(C2CCCNC2)c1 Amb21954351 [0,1,0,1,0,0|2,0,0]=4 6080 B14R2.21 Cc1cccc(C2CCNCC2)c1 Amb13888394 [0,1,0,1,0,0|2,0,0]=4 6081 B14R2.21 Cc1cccc(C2CCNCC2)c1 Amb3933581 [0,1,0,1,0,0|2,0,0]=4 6082 B14R2.21 Cc1cccc(C2CCOCC2)c1 Amb27648862 [0,1,0,1,0,0|2,0,0]=4 6083 B14R2.21 Cc1cccc(C2CNCCN2)c1 Amb2696439 [0,1,0,1,0,0|2,0,0]=4 6084 B14R2.21 Cc1cccc(C2CNCCO2)c1 Amb33802047 [0,1,0,1,0,0|1,0,0]=3 6085 B14R2.21 Cc1cccc(C2CNCCO2)c1 Amb5750918 [0,1,0,1,0,0|1,0,0]=3 6086 B14R2.21 Cc1cccc(C2CNCCO2)n1 Amb20062321 [0,1,0,1,0,0|2,0,0]=4 6087 B14R2.21 Cc1cccc(C2CNCCS2)c1 Amb17235834 [0,1,0,1,0,0|1,1,0]=4 6088 B14R2.21 Cc1cccc(C2COCCN2)c1 Amb5751001 [0,1,0,1,0,0|2,0,0]=4 6089 B14R2.21 Cc1cccc(C2NCCCO2)c1 Amb17335176 [0,1,0,1,0,0|1,0,0]=3 6090 B14R2.21 Cc1cccc(C2OCCCO2)c1 Amb17335228 [0,1,0,1,0,0|1,0,0]=3 6091 B14R2.21 Cc1cccc(N2CCCCC2)c1 Amb10558567 [0,1,0,1,0,0|2,0,0]=4 6092 B14R2.21 Cc1cccc([C@@H]2CCCNC2)c1 Amb27258043 [0,1,0,1,0,0|2,0,0]=4 6093 B14R2.21 Cc1cccc([C@H]2CCCNC2)c1 Amb27640166 [0,1,0,1,0,0|2,0,0]=4 6094 B14R2.21 Cc1cccc([C@H]2CNCCN2)c1 Amb27226143 [0,1,0,1,0,0|2,0,0]=4 6095 B14R2.21 Cc1ccnc(C2CCCCC2)c1 Amb24402341 [0,1,0,1,0,0|2,0,0]=4 6096 B14R2.21 Cc1ccnc(C2CCCCN2)c1 Amb23444669 [0,1,0,1,0,0|2,0,0]=4 6097 B14R2.21 Cc1ccnc(C2CNCCO2)c1 Amb33318423 [0,1,0,1,0,0|2,0,0]=4 6098 B14R2.21 Cc1ccnc(C2COCCO2)c1 Amb28242913 [0,1,0,1,0,0|2,0,0]=4 6099 B14R2.21 Cc1ccnc([C@@H]2CCCCN2)c1 Amb27404502 [0,1,0,1,0,0|2,0,0]=4 6100 B14R2.21 Cc1cncc(C2CCCCN2)c1 Amb24467616 [0,1,0,1,0,0|2,0,0]=4 6101 B14R2.21 Cc1cncc(C2CNCCO2)c1 Amb33318380 [0,1,0,1,0,0|2,0,0]=4 6102 B14R2.21 ClC1CCCC(c2ccccc2)C1 Amb4035352 [0,1,0,1,0,0|1,0,0]=3 6103 B14R2.21 ClC1CCOC(c2cnccn2)C1 Amb35600795 [0,1,0,1,0,0|2,0,0]=4 6104 B14R2.21 Cl[C@@H]1CCC[C@@H](c2ccccc2)C1 Amb28132362 [0,1,0,1,0,0|1,0,0]=3 6105 B14R2.21 Clc1cccc(C2CCCCC2)c1 Amb22753243 [0,1,0,1,0,0|1,0,0]=3 6106 B14R2.21 Clc1cccc(C2CCCCC2)n1 Amb26972195 [0,1,0,1,0,0|2,0,0]=4 6107 B14R2.21 Clc1cccc(C2CCCCN2)c1 Amb2235156 [0,1,0,1,0,0|1,0,0]=3 6108 B14R2.21 Clc1cccc(C2CCCCN2)c1 Amb33266051 [0,1,0,1,0,0|1,0,0]=3 6109 B14R2.21 Clc1cccc(C2CCCCN2)n1 Amb3788630 [0,1,0,1,0,0|2,0,0]=4 6110 B14R2.21 Clc1cccc(C2CCCNC2)c1 Amb8009560 [0,1,0,1,0,0|2,0,0]=4 6111 B14R2.21 Clc1cccc(C2CCNCC2)c1 Amb10602357 [0,1,0,1,0,0|2,0,0]=4 6112 B14R2.21 Clc1cccc(C2CCNCC2)c1 Amb2383173 [0,1,0,1,0,0|2,0,0]=4 6113 B14R2.21 Clc1cccc(C2CCOCC2)c1 Amb32655097 [0,1,0,1,0,0|2,0,0]=4 6114 B14R2.21 Clc1cccc(C2CNCCN2)c1 Amb2695642 [0,1,0,1,0,0|2,0,0]=4 6115 B14R2.21 Clc1cccc(C2CNCCN2)c1 Amb34152626 [0,1,0,1,0,0|2,0,0]=4 6116 B14R2.21 Clc1cccc(C2CNCCO2)c1 Amb33802126 [0,1,0,1,0,0|1,0,0]=3 6117 B14R2.21 Clc1cccc(C2CNCCO2)c1 Amb5750926 [0,1,0,1,0,0|1,0,0]=3 6118 B14R2.21 Clc1cccc(C2CNCCO2)n1 Amb24346884 [0,1,0,1,0,0|2,0,0]=4 6119 B14R2.21 Clc1cccc(C2CNCCS2)c1 Amb17241629 [0,1,0,1,0,0|1,1,0]=4 6120 B14R2.21 Clc1cccc(C2COCCN2)c1 Amb33330062 [0,1,0,1,0,0|2,0,0]=4 6121 B14R2.21 Clc1cccc(C2COCCN2)c1 Amb5751010 [0,1,0,1,0,0|2,0,0]=4 6122 B14R2.21 Clc1cccc(C2CSCCN2)c1 Amb19889624 [0,1,0,1,0,0|2,0,0]=4 6123 B14R2.21 Clc1cccc(C2NCCCO2)c1 Amb17337247 [0,1,0,1,0,0|1,0,0]=3 6124 B14R2.21 Clc1cccc(C2NCCCS2)c1 Amb27875953 [0,1,0,1,0,0|1,1,0]=4 6125 B14R2.21 Clc1cccc(C2OCCCO2)c1 Amb17337357 [0,1,0,1,0,0|1,0,0]=3 6126 B14R2.21 Clc1cccc(N2CCCCC2)c1 Amb18269640 [0,1,0,1,0,0|2,0,0]=4 6127 B14R2.21 Clc1cccc([C@@H]2CNCCN2)c1 Amb27404501 [0,1,0,1,0,0|2,0,0]=4 6128 B14R2.21 Clc1cccc([C@@H]2COCCN2)c1 Amb28313718 [0,1,0,1,0,0|2,0,0]=4 6129 B14R2.21 Clc1cccc([C@H]2CNCCN2)c1 Amb28134684 [0,1,0,1,0,0|2,0,0]=4 6130 B14R2.21 Clc1ccnc(C2CCCCN2)c1 Amb3788633 [0,1,0,1,0,0|2,0,0]=4 6131 B14R2.21 Clc1ccnc(C2CCCCO2)n1 Amb31290537 [0,1,0,1,0,0|2,0,0]=4 6132 B14R2.21 Clc1cncc(C2CCCCN2)c1 Amb27620351 [0,1,0,1,0,0|2,0,0]=4 6133 B14R2.21 Clc1cncc([C@@H]2CCCCN2)c1 Amb27469642 [0,1,0,1,0,0|2,0,0]=4 6134 B14R2.21 Clc1nccc(C2CCCCO2)n1 Amb24322618 [0,1,0,1,0,0|2,0,0]=4 6135 B14R2.21 Fc1cc([C@H]2CCCCN2)ccn1 Amb27626040 [0,1,0,1,0,0|2,0,0]=4 6136 B14R2.21 Fc1cccc(C2=CCCCC2)c1 Amb27400279 [0,1,0,1,0,0|1,0,1]=4 6137 B14R2.21 Fc1cccc(C2CCCCC2)n1 Amb24319190 [0,1,0,1,0,0|2,0,0]=4 6138 B14R2.21 Fc1cccc(C2CCCCN2)c1 Amb2234655 [0,1,0,1,0,0|1,0,0]=3 6139 B14R2.21 Fc1cccc(C2CCCCN2)c1 Amb32410195 [0,1,0,1,0,0|1,0,0]=3 6140 B14R2.21 Fc1cccc(C2CCCCN2)n1 Amb27454631 [0,1,0,1,0,0|2,0,0]=4 6141 B14R2.21 Fc1cccc(C2CCCNC2)c1 Amb8009557 [0,1,0,1,0,0|2,0,0]=4 6142 B14R2.21 Fc1cccc(C2CCNCC2)c1 Amb13888389 [0,1,0,1,0,0|2,0,0]=4 6143 B14R2.21 Fc1cccc(C2CCNCC2)c1 Amb33532821 [0,1,0,1,0,0|2,0,0]=4 6144 B14R2.21 Fc1cccc(C2CCOCC2)c1 Amb32655114 [0,1,0,1,0,0|2,0,0]=4 6145 B14R2.21 Fc1cccc(C2CNCCN2)c1 Amb2696592 [0,1,0,1,0,0|2,0,0]=4 6146 B14R2.21 Fc1cccc(C2CNCCN2)c1 Amb8630216 [0,1,0,1,0,0|2,0,0]=4 6147 B14R2.21 Fc1cccc(C2CNCCO2)c1 Amb33545967 [0,1,0,1,0,0|1,0,0]=3 6148 B14R2.21 Fc1cccc(C2COCCN2)c1 Amb18065995 [0,1,0,1,0,0|2,0,0]=4 6149 B14R2.21 Fc1cccc(C2COCCN2)c1 Amb28555992 [0,1,0,1,0,0|2,0,0]=4 6150 B14R2.21 Fc1cccc(C2NCCCO2)c1 Amb18066007 [0,1,0,1,0,0|1,0,0]=3 6151 B14R2.21 Fc1cccc(N2CCCCC2)c1 Amb18267936 [0,1,0,1,0,0|2,0,0]=4 6152 B14R2.21 Fc1cccc([C@@H]2CCCCN2)n1 Amb28193366 [0,1,0,1,0,0|2,0,0]=4 6153 B14R2.21 Fc1cccc([C@@H]2CNCCN2)c1 Amb26857499 [0,1,0,1,0,0|2,0,0]=4 6154 B14R2.21 Fc1cccc([C@@H]2CNCCO2)c1 Amb28205329 [0,1,0,1,0,0|1,0,0]=3 6155 B14R2.21 Fc1cccc([C@H]2COCCN2)c1 Amb28066820 [0,1,0,1,0,0|2,0,0]=4 6156 B14R2.21 Fc1ccnc(C2CCCCC2)c1 Amb24319242 [0,1,0,1,0,0|2,0,0]=4 6157 B14R2.21 Fc1ccnc(C2CCCCN2)c1 Amb33415610 [0,1,0,1,0,0|2,0,0]=4 6158 B14R2.21 Fc1ccnc(C2CCCCO2)n1 Amb35742232 [0,1,0,1,0,0|2,0,0]=4 6159 B14R2.21 Fc1ccnc(C2CNCCO2)c1 Amb33415302 [0,1,0,1,0,0|2,0,0]=4 6160 B14R2.21 Fc1cncc(C2CCCCN2)c1 Amb18949214 [0,1,0,1,0,0|2,0,0]=4 6161 B14R2.21 Fc1cncc(C2CNCCO2)c1 Amb33196978 [0,1,0,1,0,0|2,0,0]=4 6162 B14R2.21 Fc1cncc([C@H]2CCCCN2)c1 Amb27595623 [0,1,0,1,0,0|2,0,0]=4 6163 B14R2.21 Ic1cccc(C2CCCCN2)c1 Amb2234962 [0,1,0,1,0,0|1,0,0]=3 6164 B14R2.21 Ic1cccc(C2CCCNC2)c1 Amb28384509 [0,1,0,1,0,0|2,0,0]=4 6165 B14R2.21 Ic1cccc(C2CCOCC2)c1 Amb24321194 [0,1,0,1,0,0|2,0,0]=4 6166 B14R2.21 Ic1cccc(C2COCCN2)c1 Amb27268317 [0,1,0,1,0,0|2,0,0]=4 6167 B14R2.21 Ic1cccc(C2NCCCS2)c1 Amb27768919 [0,1,0,1,0,0|1,1,0]=4 6168 B14R2.21 Ic1cccc(N2CCCCC2)c1 Amb33529128 [0,1,0,1,0,0|2,0,0]=4 6169 B14R2.21 Ic1cccc([C@@H]2CCCNC2)c1 Amb27640186 [0,1,0,1,0,0|2,0,0]=4 6170 B14R2.21 Ic1cccc([C@H]2CCCCN2)n1 Amb27181039 [0,1,0,1,0,0|2,0,0]=4 6171 B14R2.21 Ic1cccc([C@H]2CNCCN2)c1 Amb27177137 [0,1,0,1,0,0|2,0,0]=4 6172 B14R2.21 Ic1cncc(C2CCCCN2)c1 Amb27618149 [0,1,0,1,0,0|2,0,0]=4 6173 B14R2.21 Ic1cncc([C@@H]2CCCCN2)c1 Amb27180567 [0,1,0,1,0,0|2,0,0]=4 6174 B14R2.21 NC1CCCC(c2ccccc2)C1 Amb24183813 [0,1,0,1,0,0|1,0,0]=3 6175 B14R2.21 NC1CCCC(c2ccccc2)C1 Amb33546016 [0,1,0,1,0,0|1,0,0]=3 6176 B14R2.21 NC1CCCC(c2ccccn2)C1 Amb28041443 [0,1,0,1,0,0|2,0,0]=4 6177 B14R2.21 NC1CCCN(c2ccccc2)C1 Amb19303052 [0,1,0,1,0,0|2,0,0]=4 6178 B14R2.21 NC1CCNC(c2ccccc2)C1 Amb25160938 [0,1,0,1,0,0|1,0,0]=3 6179 B14R2.21 NC1CCNC(c2ccccn2)C1 Amb27857227 [0,1,0,1,0,0|2,0,0]=4 6180 B14R2.21 NC1CCOC(c2ccccc2)C1 Amb27663848 [0,1,0,1,0,0|0,0,0]=2 6181 B14R2.21 NC1CCOC(c2ccccc2)C1 Amb33551617 [0,1,0,1,0,0|0,0,0]=2 6182 B14R2.21 NC1CCOC(c2ccccn2)C1 Amb25124396 [0,1,0,1,0,0|1,0,0]=3 6183 B14R2.21 NC1CCOC(c2cccnc2)C1 Amb27807879 [0,1,0,1,0,0|1,0,0]=3 6184 B14R2.21 NC1CCOC(c2cccnc2)C1 Amb32661532 [0,1,0,1,0,0|1,0,0]=3 6185 B14R2.21 NC1CCOC(c2ccncc2)C1 Amb25761304 [0,1,0,1,0,0|1,0,0]=3 6186 B14R2.21 NC1CCOC(c2cnccn2)C1 Amb35602966 [0,1,0,1,0,0|2,0,0]=4 6187 B14R2.21 NC1CNCC(c2ccccc2)C1 Amb25200053 [0,1,0,1,0,0|2,0,0]=4 6188 B14R2.21 NN1CCCC(c2ccccc2)C1 Amb25157115 [0,1,0,1,0,0|2,0,0]=4 6189 B14R2.21 NN1CCOC(c2ccccc2)C1 Amb18559533 [0,1,0,1,0,0|1,0,0]=3 6190 B14R2.21 NN1CCOC(c2ccccn2)C1 Amb18065840 [0,1,0,1,0,0|2,0,0]=4 6191 B14R2.21 NN1CCOC(c2cccnc2)C1 Amb18065841 [0,1,0,1,0,0|2,0,0]=4 6192 B14R2.21 NN1CCOC(c2ccncc2)C1 Amb18065842 [0,1,0,1,0,0|2,0,0]=4 6193 B14R2.21 N[C@@H]1C=C(c2ccccc2)CCC1 Amb27832427 [0,1,0,1,0,0|1,0,1]=4 6194 B14R2.21 N[C@@H]1CCO[C@@H](c2ccccc2)C1 Amb25940690 [0,1,0,1,0,0|0,0,0]=2 6195 B14R2.21 N[C@@H]1CCO[C@@H](c2cccnc2)C1 Amb28060712 [0,1,0,1,0,0|1,0,0]=3 6196 B14R2.21 N[C@@H]1CCO[C@H](c2ccccc2)C1 Amb27203356 [0,1,0,1,0,0|0,0,0]=2 6197 B14R2.21 N[C@@H]1CCO[C@H](c2cccnc2)C1 Amb28195481 [0,1,0,1,0,0|1,0,0]=3 6198 B14R2.21 N[C@H]1CCCN(c2ccccc2)C1 Amb17134823 [0,1,0,1,0,0|2,0,0]=4 6199 B14R2.21 N[C@H]1CCO[C@@H](c2ccccc2)C1 Amb22747497 [0,1,0,1,0,0|0,0,0]=2 6200 B14R2.21 N[C@H]1CCO[C@@H](c2ccncc2)C1 Amb25738146 [0,1,0,1,0,0|1,0,0]=3 6201 B14R2.21 N[C@H]1CCO[C@H](c2ccccn2)C1 Amb32663013 [0,1,0,1,0,0|1,0,0]=3 6202 B14R2.21 N[C@H]1CCO[C@H](c2cccnc2)C1 Amb26414921 [0,1,0,1,0,0|1,0,0]=3 6203 B14R2.21 Nc1cc(C2CCCCC2)ccn1 Amb10600466 [0,1,0,1,0,0|2,0,0]=4 6204 B14R2.21 Nc1cc(C2CCCCN2)ccn1 Amb27391661 [0,1,0,1,0,0|2,0,0]=4 6205 B14R2.21 Nc1cc(C2CCCCO2)ccn1 Amb24322637 [0,1,0,1,0,0|1,0,0]=3 6206 B14R2.21 Nc1cc(C2COCCO2)ccn1 Amb24318989 [0,1,0,1,0,0|2,0,0]=4 6207 B14R2.21 Nc1cc([C@H]2CCCCN2)ccn1 Amb28316438 [0,1,0,1,0,0|2,0,0]=4 6208 B14R2.21 Nc1cccc(B2OCCCO2)c1 Amb28385739 [0,1,0,1,0,0|2,0,0]=4 6209 B14R2.21 Nc1cccc(C2=CCCCC2)c1 Amb17107094 [0,1,0,1,0,0|1,0,1]=4 6210 B14R2.21 Nc1cccc(C2=NCCCO2)c1 Amb27265767 [0,1,0,1,0,0|1,0,1]=4 6211 B14R2.21 Nc1cccc(C2CCCCC2)c1 Amb17107001 [0,1,0,1,0,0|1,0,0]=3 6212 B14R2.21 Nc1cccc(C2CCCCC2)n1 Amb10599290 [0,1,0,1,0,0|2,0,0]=4 6213 B14R2.21 Nc1cccc(C2CCCCN2)c1 Amb24763650 [0,1,0,1,0,0|1,0,0]=3 6214 B14R2.21 Nc1cccc(C2CCCCN2)n1 Amb27170721 [0,1,0,1,0,0|2,0,0]=4 6215 B14R2.21 Nc1cccc(C2CCCCO2)n1 Amb24320481 [0,1,0,1,0,0|1,0,0]=3 6216 B14R2.21 Nc1cccc(C2CCCNC2)c1 Amb8631070 [0,1,0,1,0,0|2,0,0]=4 6217 B14R2.21 Nc1cccc(C2CCCOC2)c1 Amb20617109 [0,1,0,1,0,0|2,0,0]=4 6218 B14R2.21 Nc1cccc(C2CCNCC2)c1 Amb13888253 [0,1,0,1,0,0|2,0,0]=4 6219 B14R2.21 Nc1cccc(C2CCOCC2)c1 Amb20617106 [0,1,0,1,0,0|2,0,0]=4 6220 B14R2.21 Nc1cccc(C2CNCCN2)c1 Amb24094193 [0,1,0,1,0,0|2,0,0]=4 6221 B14R2.21 Nc1cccc(C2CNCCO2)c1 Amb24360551 [0,1,0,1,0,0|1,0,0]=3 6222 B14R2.21 Nc1cccc(C2COCCO2)c1 Amb18064236 [0,1,0,1,0,0|1,0,0]=3 6223 B14R2.21 Nc1cccc(C2COCCO2)n1 Amb24318973 [0,1,0,1,0,0|2,0,0]=4 6224 B14R2.21 Nc1cccc(C2OCCCO2)c1 Amb6335300 [0,1,0,1,0,0|1,0,0]=3 6225 B14R2.21 Nc1cccc(C2SCCCS2)c1 Amb1105762 [0,1,0,1,0,0|1,1,0]=4 6226 B14R2.21 Nc1cccc(N2CCCCC2)c1 Amb17138801 [0,1,0,1,0,0|2,0,0]=4 6227 B14R2.21 Nc1cccc(N2CCCCC2)c1 Amb839236 [0,1,0,1,0,0|2,0,0]=4 6228 B14R2.21 Nc1cccc([C@@H]2CCCCN2)c1 Amb25861257 [0,1,0,1,0,0|1,0,0]=3 6229 B14R2.21 Nc1cccc([C@@H]2CCCCN2)n1 Amb27473317 [0,1,0,1,0,0|2,0,0]=4 6230 B14R2.21 Nc1cccc([C@H]2CCCCN2)n1 Amb27975731 [0,1,0,1,0,0|2,0,0]=4 6231 B14R2.21 Nc1cccc([C@H]2CCCNC2)c1 Amb24700260 [0,1,0,1,0,0|2,0,0]=4 6232 B14R2.21 Nc1ccnc(C2CCCCC2)c1 Amb10599780 [0,1,0,1,0,0|2,0,0]=4 6233 B14R2.21 Nc1ccnc(C2CCCCN2)c1 Amb28317683 [0,1,0,1,0,0|2,0,0]=4 6234 B14R2.21 Nc1ccnc(C2CCCCO2)c1 Amb24322612 [0,1,0,1,0,0|1,0,0]=3 6235 B14R2.21 Nc1ccnc(C2CCCCO2)n1 Amb24322621 [0,1,0,1,0,0|2,0,0]=4 6236 B14R2.21 Nc1ccnc(C2COCCO2)c1 Amb24318975 [0,1,0,1,0,0|2,0,0]=4 6237 B14R2.21 Nc1cncc(C2CCCCC2)c1 Amb18196504 [0,1,0,1,0,0|2,0,0]=4 6238 B14R2.21 Nc1cncc(C2CCCCO2)c1 Amb24322635 [0,1,0,1,0,0|1,0,0]=3 6239 B14R2.21 Nc1cncc(C2CCCCO2)n1 Amb24322616 [0,1,0,1,0,0|2,0,0]=4 6240 B14R2.21 Nc1cncc(C2COCCO2)c1 Amb24318976 [0,1,0,1,0,0|2,0,0]=4 6241 B14R2.21 Nc1cncc([C@@H]2CCCCN2)c1 Amb27602184 [0,1,0,1,0,0|2,0,0]=4 6242 B14R2.21 Nc1nccc(C2CCCCO2)n1 Amb24322619 [0,1,0,1,0,0|2,0,0]=4 6243 B14R2.21 O=C1CCCC(c2ccccc2)C1 Amb18065540 [0,1,0,1,0,0|0,0,2]=4 6244 B14R2.21 O=C1CCCC(c2ccccc2)N1 Amb2615419 [0,1,0,1,0,0|0,0,2]=4 6245 B14R2.21 O=C1CCC[C@H](c2ccccc2)C1 Amb26881373 [0,1,0,1,0,0|0,0,2]=4 6246 B14R2.21 O=C1CCNC(c2ccccc2)C1 Amb17233086 [0,1,0,1,0,0|1,0,1]=4 6247 B14R2.21 O=C1CCNC(c2ccccc2)C1 Amb22274020 [0,1,0,1,0,0|1,0,1]=4 6248 B14R2.21 O=C1CCN[C@@H](c2ccccc2)C1 Amb27828475 [0,1,0,1,0,0|1,0,1]=4 6249 B14R2.21 O=C1CCN[C@H](c2ccccc2)C1 Amb27230890 [0,1,0,1,0,0|1,0,1]=4 6250 B14R2.21 O=C1CCOC(c2ccccc2)C1 Amb19957821 [0,1,0,1,0,0|0,0,1]=3 6251 B14R2.21 O=C1CCOC(c2ccccn2)C1 Amb28430591 [0,1,0,1,0,0|1,0,1]=4 6252 B14R2.21 O=C1CNC[C@H](c2ccccc2)O1 Amb27847500 [0,1,0,1,0,0|1,0,1]=4 6253 B14R2.21 O=S1CCNC(c2ccccc2)C1 Amb19374300 [0,1,0,1,0,0|2,0,0]=4 6254 B14R2.21 O=S1CCN[C@@H](c2ccccc2)C1 Amb27608680 [0,1,0,1,0,0|2,0,0]=4 6255 B14R2.21 OC1C=C(c2ccccc2)CCC1 Amb6360004 [0,1,0,1,0,0|0,0,1]=3 6256 B14R2.21 OC1C=C(c2ccccc2)CNC1 Amb28458394 [0,1,0,1,0,0|1,0,1]=4 6257 B14R2.21 OC1C=C(c2cccnc2)CCC1 Amb27252813 [0,1,0,1,0,0|1,0,1]=4 6258 B14R2.21 OC1CCCC(c2ccccc2)C1 Amb26612874 [0,1,0,1,0,0|0,0,0]=2 6259 B14R2.21 OC1CCCN(c2ccccc2)C1 Amb19958835 [0,1,0,1,0,0|1,0,0]=3 6260 B14R2.21 OC1CCCN(c2ccccn2)C1 Amb10598759 [0,1,0,1,0,0|2,0,0]=4 6261 B14R2.21 OC1CCCN(c2cccnc2)C1 Amb28294243 [0,1,0,1,0,0|2,0,0]=4 6262 B14R2.21 OC1CCNC(c2ccccc2)C1 Amb17233271 [0,1,0,1,0,0|1,0,0]=3 6263 B14R2.21 OC1CCNC(c2ccccc2)C1 Amb22035160 [0,1,0,1,0,0|1,0,0]=3 6264 B14R2.21 OC1CCOC(c2ccccc2)C1 Amb21962863 [0,1,0,1,0,0|0,0,0]=2 6265 B14R2.21 OC1CCOC(c2cnccn2)C1 Amb35600816 [0,1,0,1,0,0|2,0,0]=4 6266 B14R2.21 OC1CCOC(c2cncnc2)C1 Amb28194019 [0,1,0,1,0,0|2,0,0]=4 6267 B14R2.21 O[C@@H]1C=CC[C@@H](c2ccccc2)C1 Amb27486283 [0,1,0,1,0,0|0,0,2]=4 6268 B14R2.21 O[C@@H]1C=CO[C@@H](c2ccccc2)C1 Amb28133366 [0,1,0,1,0,0|0,0,2]=4 6269 B14R2.21 O[C@@H]1CCC[C@H](c2ccccc2)O1 Amb27420634 [0,1,0,1,0,0|0,0,0]=2 6270 B14R2.21 O[C@@H]1CCO[C@@H](c2ccccc2)C1 Amb24722718 [0,1,0,1,0,0|0,0,0]=2 6271 B14R2.21 O[C@@H]1CCO[C@H](c2ccccc2)C1 Amb25685558 [0,1,0,1,0,0|0,0,0]=2 6272 B14R2.21 O[C@@H]1CCS[C@@H](c2ccccc2)C1 Amb27981625 [0,1,0,1,0,0|0,1,0]=3 6273 B14R2.21 O[C@H]1C=CCC(c2ccccc2)C1 Amb27218886 [0,1,0,1,0,0|0,0,2]=4 6274 B14R2.21 O[C@H]1C=CC[C@@H](c2ccccc2)C1 Amb28434630 [0,1,0,1,0,0|0,0,2]=4 6275 B14R2.21 O[C@H]1CCCN(c2ccccn2)C1 Amb22297380 [0,1,0,1,0,0|2,0,0]=4 6276 B14R2.21 O[C@H]1CCC[C@H](c2ccccc2)O1 Amb28207159 [0,1,0,1,0,0|0,0,0]=2 6277 B14R2.21 O[C@H]1CCN[C@@H](c2ccccc2)C1 Amb28129750 [0,1,0,1,0,0|1,0,0]=3 6278 B14R2.21 O[C@H]1CCN[C@@H](c2ccccc2)C1 Amb33089192 [0,1,0,1,0,0|1,0,0]=3 6279 B14R2.21 O[C@H]1CCO[C@@H](c2ccccc2)C1 Amb22746392 [0,1,0,1,0,0|0,0,0]=2 6280 B14R2.21 O[C@H]1CNC[C@@H](c2ccccc2)C1 Amb28137869 [0,1,0,1,0,0|1,0,0]=3 6281 B14R2.21 Oc1cc(C2CCCCC2)ccn1 Amb10600467 [0,1,0,1,0,0|2,0,0]=4 6282 B14R2.21 Oc1cccc(B2OCCCO2)c1 Amb26503458 [0,1,0,1,0,0|2,0,0]=4 6283 B14R2.21 Oc1cccc(C2=CCCCC2)c1 Amb27240750 [0,1,0,1,0,0|1,0,1]=4 6284 B14R2.21 Oc1cccc(C2CCCCC2)c1 Amb20171551 [0,1,0,1,0,0|1,0,0]=3 6285 B14R2.21 Oc1cccc(C2CCCCC2)n1 Amb10599291 [0,1,0,1,0,0|2,0,0]=4 6286 B14R2.21 Oc1cccc(C2CCCCN2)c1 Amb25068507 [0,1,0,1,0,0|1,0,0]=3 6287 B14R2.21 Oc1cccc(C2CCCCN2)c1 Amb33339083 [0,1,0,1,0,0|1,0,0]=3 6288 B14R2.21 Oc1cccc(C2CCCCN2)n1 Amb27175297 [0,1,0,1,0,0|2,0,0]=4 6289 B14R2.21 Oc1cccc(C2CCCNC2)c1 Amb18062871 [0,1,0,1,0,0|2,0,0]=4 6290 B14R2.21 Oc1cccc(C2CCCOC2)c1 Amb20617110 [0,1,0,1,0,0|2,0,0]=4 6291 B14R2.21 Oc1cccc(C2CCNCC2)c1 Amb3941470 [0,1,0,1,0,0|2,0,0]=4 6292 B14R2.21 Oc1cccc(C2CCOCC2)c1 Amb20617107 [0,1,0,1,0,0|2,0,0]=4 6293 B14R2.21 Oc1cccc(C2CNCCN2)c1 Amb10982519 [0,1,0,1,0,0|2,0,0]=4 6294 B14R2.21 Oc1cccc(C2CNCCO2)c1 Amb17063312 [0,1,0,1,0,0|1,0,0]=3 6295 B14R2.21 Oc1cccc(C2COCCN2)c1 Amb25836410 [0,1,0,1,0,0|2,0,0]=4 6296 B14R2.21 Oc1cccc(C2NCCCO2)c1 Amb17335297 [0,1,0,1,0,0|1,0,0]=3 6297 B14R2.21 Oc1cccc(C2OCCCO2)c1 Amb2708975 [0,1,0,1,0,0|1,0,0]=3 6298 B14R2.21 Oc1cccc(C2SCCCS2)c1 Amb4032690 [0,1,0,1,0,0|1,1,0]=4 6299 B14R2.21 Oc1cccc(N2CCCCC2)c1 Amb2781966 [0,1,0,1,0,0|2,0,0]=4 6300 B14R2.21 Oc1cccc([C@@H]2CCCCN2)c1 Amb28314199 [0,1,0,1,0,0|1,0,0]=3 6301 B14R2.21 Oc1cccc([C@@H]2CCCNC2)c1 Amb27415566 [0,1,0,1,0,0|2,0,0]=4 6302 B14R2.21 Oc1cccc([C@@H]2CNCCN2)c1 Amb27473242 [0,1,0,1,0,0|2,0,0]=4 6303 B14R2.21 Oc1cccc([C@@H]2COCCN2)c1 Amb27759926 [0,1,0,1,0,0|2,0,0]=4 6304 B14R2.21 Oc1cccc([C@H]2CCCCN2)c1 Amb28313720 [0,1,0,1,0,0|1,0,0]=3 6305 B14R2.21 Oc1cccc([C@H]2CCCCN2)n1 Amb27964973 [0,1,0,1,0,0|2,0,0]=4 6306 B14R2.21 Oc1cccc([C@H]2CCCNC2)c1 Amb27230171 [0,1,0,1,0,0|2,0,0]=4 6307 B14R2.21 Oc1ccnc(C2CCCCC2)c1 Amb10599781 [0,1,0,1,0,0|2,0,0]=4 6308 B14R2.21 Oc1ccnc(C2CCCCO2)n1 Amb31290538 [0,1,0,1,0,0|2,0,0]=4 6309 B14R2.21 Oc1cncc(C2CCCCC2)c1 Amb20617721 [0,1,0,1,0,0|2,0,0]=4 6310 B14R2.21 S=C1C=CC=C(C2CCCCC2)N1 Amb28074129 [0,1,0,1,0,0|2,0,0]=4 6311 B14R2.21 Sc1cccc(C2CCNCC2)c1 Amb27594061 [0,1,0,1,0,0|2,0,0]=4 6312 B14R2.21 Sc1cccc([C@@H]2COCCN2)c1 Amb27169568 [0,1,0,1,0,0|2,0,0]=4 6313 B14R2.21 [O-][n+]1cccc(C2CCCCN2)c1 Amb17594553 [0,1,0,1,0,0|2,0,0]=4 6314 B14R2.32 CNCC1CC1c2cccc(Br)c2 Amb17605569 [0,1,0,1,0,0|2,0,0]=4 6315 B14R2.32 CNCC1CC1c2cccc(C)c2 Amb17568135 [0,1,0,1,0,0|2,0,0]=4 6316 B14R2.32 CNCC1CC1c2cccc(Cl)c2 Amb17605472 [0,1,0,1,0,0|2,0,0]=4 6317 B14R2.32 CNCC1CC1c2cccc(F)c2 Amb17568190 [0,1,0,1,0,0|2,0,0]=4 6318 B14R2.32 CNCC1CC1c2cccc(O)c2 Amb17568186 [0,1,0,1,0,0|2,0,0]=4 6319 B14R2.32 NCCC1CC1c2cccc(F)c2 Amb27625225 [0,1,0,1,0,0|1,0,0]=3 6320 B14R2.77 Cc1cccc(N2CCC2CN)c1 Amb29852855 [0,1,0,1,0,0|2,0,0]=4 6321 B14R2.77 Cc1cncc(C2CCC2CN)c1 Amb27977224 [0,1,0,1,0,0|2,0,0]=4 6322 B14R2.77 NCC1CCC1c2cccc(Br)c2 Amb30021558 [0,1,0,1,0,0|1,0,0]=3 6323 B14R2.77 NCC1CCN1c2cccc(Br)c2 Amb29852854 [0,1,0,1,0,0|2,0,0]=4 6324 B14R2.77 NCC1CCN1c2cccc(Cl)c2 Amb35595738 [0,1,0,1,0,0|2,0,0]=4 6325 B14R2.77 NCC1CCN1c2cccc(F)c2 Amb35595739 [0,1,0,1,0,0|2,0,0]=4 6326 B14R2.77 NCC1CCN1c2cccc(I)c2 Amb35595839 [0,1,0,1,0,0|2,0,0]=4 6327 B14R2.86 Cc1cccc(CC2OC2CO)c1 Amb27188885 [0,1,0,1,0,0|1,0,0]=3 6328 B14R2.86 Cc1cccc(\C=C2\CC2CO)c1 Amb27748863 [0,1,0,1,0,0|0,0,2]=4 6329 B14R2.86 Cc1ccnc(N[C@@H]2C[C@H]2CO)c1 Amb27781672 [0,1,0,1,0,0|2,0,0]=4 6330 B14R2.86 OCC1CC1Nc2cccc(F)n2 Amb27979962 [0,1,0,1,0,0|2,0,0]=4 6331 B14R2.86 OCC1C\C1=C/c2cccc(Cl)c2 Amb28281937 [0,1,0,1,0,0|0,0,2]=4 6332 B14R2.268 CC1CC1CNc2cccc(Cl)c2 Amb27448722 [0,1,0,1,0,0|2,0,0]=4 6333 B14R2.268 CC1CC1CNc2cccc(F)c2 Amb27650025 [0,1,0,1,0,0|2,0,0]=4 6334 B14R2.268 CC1CC1CNc2cccc(N)c2 Amb28075802 [0,1,0,1,0,0|2,0,0]=4 6335 B14R2.268 CC1CC1NCc2cccc(Cl)c2 Amb18298215 [0,1,0,1,0,0|2,0,0]=4 6336 B14R2.268 C[C@@H]1C[C@H]1NCc2cccc(F)c2 Amb28455979 [0,1,0,1,0,0|2,0,0]=4 6337 B14R2.268 Cc1cccc(OCC2CC2N)c1 Amb24396165 [0,1,0,1,0,0|2,0,0]=4 6338 B14R2.268 NC1CC1CCc2cccc(Br)c2 Amb33433395 [0,1,0,1,0,0|1,0,0]=3 6339 B14R2.268 NC1CC1COc2cccc(Br)c2 Amb28125683 [0,1,0,1,0,0|2,0,0]=4 6340 B14R2.268 NC1CC1COc2cccc(Cl)c2 Amb24533299 [0,1,0,1,0,0|2,0,0]=4 6341 B14R2.268 NC1CC1COc2cccc(F)c2 Amb24671449 [0,1,0,1,0,0|2,0,0]=4 6342 B14R2.268 N[C@@H]1C[C@H]1CCc2cccc(Br)c2 Amb33433394 [0,1,0,1,0,0|1,0,0]=3 6343 B14R2.269 Brc1cccc(C2CCCC2Br)c1 Amb35656664 [0,1,0,1,0,0|1,0,0]=3 6344 B14R2.269 Brc1cccc(C2COCC2Br)c1 Amb35656670 [0,1,0,1,0,0|2,0,0]=4 6345 B14R2.269 CC1CCCC1c2cccc(N)c2 Amb33231718 [0,1,0,1,0,0|1,0,0]=3 6346 B14R2.269 CC1CCNC1c2cccc(Br)c2 Amb3790660 [0,1,0,1,0,0|2,0,0]=4 6347 B14R2.269 CC1CCNC1c2cccc(Cl)c2 Amb3788592 [0,1,0,1,0,0|2,0,0]=4 6348 B14R2.269 CC1CCNC1c2cccc(F)c2 Amb3788288 [0,1,0,1,0,0|2,0,0]=4 6349 B14R2.269 CC1CNCC1c2cccc(Br)c2 Amb25758584 [0,1,0,1,0,0|2,0,0]=4 6350 B14R2.269 CC1CNCC1c2cccc(Cl)c2 Amb27785193 [0,1,0,1,0,0|2,0,0]=4 6351 B14R2.269 CC1CNCC1c2cccc(F)c2 Amb25260167 [0,1,0,1,0,0|2,0,0]=4 6352 B14R2.269 CC1NCCC1c2cccc(Br)c2 Amb18156965 [0,1,0,1,0,0|2,0,0]=4 6353 B14R2.269 CN1CCCC1c2cccc(Br)c2 Amb18562882 [0,1,0,1,0,0|2,0,0]=4 6354 B14R2.269 CN1CCCC1c2cccc(Cl)c2 Amb28436074 [0,1,0,1,0,0|2,0,0]=4 6355 B14R2.269 CN1CCCC1c2cccc(N)c2 Amb18562868 [0,1,0,1,0,0|2,0,0]=4 6356 B14R2.269 C[C@@H]1CCN[C@H]1c2cccc(Br)c2 Amb18156533 [0,1,0,1,0,0|2,0,0]=4 6357 B14R2.269 C[C@@H]1CCN[C@H]1c2cccc(Cl)c2 Amb18189121 [0,1,0,1,0,0|2,0,0]=4 6358 B14R2.269 C[C@@H]1CCN[C@H]1c2cccc(F)c2 Amb18194452 [0,1,0,1,0,0|2,0,0]=4 6359 B14R2.269 C[C@@H]1CCN[C@H]1c2cccc(O)c2 Amb18195880 [0,1,0,1,0,0|2,0,0]=4 6360 B14R2.269 C[C@@H]1CNC[C@H]1c2cccc(Br)c2 Amb18156608 [0,1,0,1,0,0|2,0,0]=4 6361 B14R2.269 C[C@H]1CCCN1c2cccc(N)c2 Amb27856122 [0,1,0,1,0,0|2,0,0]=4 6362 B14R2.269 C[C@H]1CNC[C@@H]1c2cccc(Br)c2 Amb28401517 [0,1,0,1,0,0|2,0,0]=4 6363 B14R2.269 Cc1cc(C2NCCC2O)ccn1 Amb18195237 [0,1,0,1,0,0|2,0,0]=4 6364 B14R2.269 Cc1cccc(C2CCCC2=O)c1 Amb18183856 [0,1,0,1,0,0|0,0,2]=4 6365 B14R2.269 Cc1cccc(C2CCCC2O)c1 Amb18184091 [0,1,0,1,0,0|0,0,0]=2 6366 B14R2.269 Cc1cccc(C2CCCN2N)c1 Amb22288932 [0,1,0,1,0,0|2,0,0]=4 6367 B14R2.269 Cc1cccc(C2CCNC2C)c1 Amb18279903 [0,1,0,1,0,0|2,0,0]=4 6368 B14R2.269 Cc1cccc(C2CNCC2C)c1 Amb27852146 [0,1,0,1,0,0|2,0,0]=4 6369 B14R2.269 Cc1cccc(C2CNCC2N)c1 Amb26960544 [0,1,0,1,0,0|2,0,0]=4 6370 B14R2.269 Cc1cccc(C2CNCC2O)c1 Amb32944756 [0,1,0,1,0,0|1,0,0]=3 6371 B14R2.269 Cc1cccc(C2COCC2Br)c1 Amb29877884 [0,1,0,1,0,0|2,0,0]=4 6372 B14R2.269 Cc1cccc(C2COCC2Cl)c1 Amb29877785 [0,1,0,1,0,0|2,0,0]=4 6373 B14R2.269 Cc1cccc(C2COCC2N)c1 Amb35608329 [0,1,0,1,0,0|2,0,0]=4 6374 B14R2.269 Cc1cccc(C2COCC2O)c1 Amb32950414 [0,1,0,1,0,0|1,0,0]=3 6375 B14R2.269 Cc1cccc(C2NCCC2F)c1 Amb27638200 [0,1,0,1,0,0|2,0,0]=4 6376 B14R2.269 Cc1cccc(C2NCCC2O)n1 Amb18195236 [0,1,0,1,0,0|2,0,0]=4 6377 B14R2.269 Cc1cccc([C@@H]2C=CC[C@H]2O)c1 Amb27775923 [0,1,0,1,0,0|0,0,2]=4 6378 B14R2.269 Cc1cccc([C@@H]2CCC[C@H]2O)c1 Amb26846521 [0,1,0,1,0,0|0,0,0]=2 6379 B14R2.269 Cc1cccc([C@@H]2CNC[C@H]2O)c1 Amb33213488 [0,1,0,1,0,0|1,0,0]=3 6380 B14R2.269 Cc1cccc([C@@H]2COC[C@H]2O)c1 Amb32944670 [0,1,0,1,0,0|1,0,0]=3 6381 B14R2.269 Cc1cccc([C@@H]2NCC[C@H]2C)c1 Amb18197092 [0,1,0,1,0,0|2,0,0]=4 6382 B14R2.269 Cc1cccc([C@H]2CCC[C@@H]2N)c1 Amb27628680 [0,1,0,1,0,0|1,0,0]=3 6383 B14R2.269 Cc1cccc([C@H]2CCC[C@H]2N)c1 Amb27805153 [0,1,0,1,0,0|1,0,0]=3 6384 B14R2.269 Cc1cncc(C2CCCC2O)c1 Amb25870153 [0,1,0,1,0,0|1,0,0]=3 6385 B14R2.269 Cc1cncc(C2CNCC2O)c1 Amb32950730 [0,1,0,1,0,0|2,0,0]=4 6386 B14R2.269 Cc1cncc(C2COCC2O)c1 Amb33213780 [0,1,0,1,0,0|2,0,0]=4 6387 B14R2.269 Cc1cncc([C@@H]2CCC[C@H]2O)c1 Amb32944740 [0,1,0,1,0,0|1,0,0]=3 6388 B14R2.269 Cc1cncc([C@@H]2CNC[C@H]2O)c1 Amb32944523 [0,1,0,1,0,0|2,0,0]=4 6389 B14R2.269 Cc1cncc([C@@H]2COC[C@H]2O)c1 Amb32944922 [0,1,0,1,0,0|2,0,0]=4 6390 B14R2.269 ClC1CCCC1c2cccc(Br)c2 Amb35656663 [0,1,0,1,0,0|1,0,0]=3 6391 B14R2.269 ClC1COCC1c2cccc(Br)c2 Amb35656669 [0,1,0,1,0,0|2,0,0]=4 6392 B14R2.269 Clc1cccc(C2CCCC2Br)c1 Amb27426673 [0,1,0,1,0,0|1,0,0]=3 6393 B14R2.269 Clc1cccc(C2COCC2Br)c1 Amb35590014 [0,1,0,1,0,0|2,0,0]=4 6394 B14R2.269 Clc1cccc(C2COCC2Cl)c1 Amb35589928 [0,1,0,1,0,0|2,0,0]=4 6395 B14R2.269 FC1CCNC1c2cccc(Cl)c2 Amb27438148 [0,1,0,1,0,0|2,0,0]=4 6396 B14R2.269 Fc1cccc(C2CCCC2Br)c1 Amb28239308 [0,1,0,1,0,0|1,0,0]=3 6397 B14R2.269 Fc1cccc(C2COCC2Br)c1 Amb29877896 [0,1,0,1,0,0|2,0,0]=4 6398 B14R2.269 Fc1cccc(C2COCC2Cl)c1 Amb29877838 [0,1,0,1,0,0|2,0,0]=4 6399 B14R2.269 Fc1cccc(C2NCCC2F)c1 Amb28125740 [0,1,0,1,0,0|2,0,0]=4 6400 B14R2.269 NC1CCCC1c2cc(Cl)ccn2 Amb28197658 [0,1,0,1,0,0|2,0,0]=4 6401 B14R2.269 NC1CCCC1c2cccc(Cl)c2 Amb17506318 [0,1,0,1,0,0|1,0,0]=3 6402 B14R2.269 NC1CCCC1c2cccc(O)c2 Amb27464701 [0,1,0,1,0,0|1,0,0]=3 6403 B14R2.269 NC1CCCC1c2ccnc(Br)c2 Amb27222587 [0,1,0,1,0,0|2,0,0]=4 6404 B14R2.269 NC1CCOC1c2cccc(Cl)c2 Amb27759239 [0,1,0,1,0,0|2,0,0]=4 6405 B14R2.269 NC1CCOC1c2cccc(F)c2 Amb28282172 [0,1,0,1,0,0|2,0,0]=4 6406 B14R2.269 NC1CNCC1c2cccc(Br)c2 Amb27202818 [0,1,0,1,0,0|2,0,0]=4 6407 B14R2.269 NC1CNCC1c2cccc(F)c2 Amb28248171 [0,1,0,1,0,0|2,0,0]=4 6408 B14R2.269 NC1COCC1c2cccc(Br)c2 Amb35591801 [0,1,0,1,0,0|2,0,0]=4 6409 B14R2.269 NC1COCC1c2cccc(Cl)c2 Amb29882708 [0,1,0,1,0,0|2,0,0]=4 6410 B14R2.269 NC1COCC1c2cccc(F)c2 Amb27804197 [0,1,0,1,0,0|2,0,0]=4 6411 B14R2.269 NN1CCCC1c2cccc(Cl)c2 Amb24595719 [0,1,0,1,0,0|2,0,0]=4 6412 B14R2.269 NN1CCCC1c2cccc(F)c2 Amb28317164 [0,1,0,1,0,0|2,0,0]=4 6413 B14R2.269 N[C@@H]1CCC[C@@H]1c2cccc(Cl)c2 Amb27661000 [0,1,0,1,0,0|1,0,0]=3 6414 B14R2.269 N[C@@H]1CCC[C@H]1c2cccc(I)c2 Amb27273226 [0,1,0,1,0,0|1,0,0]=3 6415 B14R2.269 N[C@@H]1CCC[C@H]1c2cccc(O)c2 Amb28197609 [0,1,0,1,0,0|1,0,0]=3 6416 B14R2.269 N[C@H]1CCC[C@H]1c2cccc(F)c2 Amb27626970 [0,1,0,1,0,0|1,0,0]=3 6417 B14R2.269 Nc1cc(C2CCCC2N)ccn1 Amb27772467 [0,1,0,1,0,0|2,0,0]=4 6418 B14R2.269 Nc1cccc(C2CCCC2=O)c1 Amb25244125 [0,1,0,1,0,0|0,0,2]=4 6419 B14R2.269 Nc1cccc(C2CNCC2N)c1 Amb25977136 [0,1,0,1,0,0|2,0,0]=4 6420 B14R2.269 Nc1cncc(C2CCCC2N)c1 Amb27628695 [0,1,0,1,0,0|2,0,0]=4 6421 B14R2.269 O=C1CCCC1c2cccc(Cl)c2 Amb18324830 [0,1,0,1,0,0|0,0,2]=4 6422 B14R2.269 O=C1CCCC1c2cccc(F)c2 Amb18184298 [0,1,0,1,0,0|0,0,2]=4 6423 B14R2.269 OC1CCCC1c2cccc(Br)c2 Amb32945052 [0,1,0,1,0,0|0,0,0]=2 6424 B14R2.269 OC1CCCC1c2cccc(Cl)c2 Amb18325168 [0,1,0,1,0,0|0,0,0]=2 6425 B14R2.269 OC1CCCC1c2cccc(F)c2 Amb18805022 [0,1,0,1,0,0|0,0,0]=2 6426 B14R2.269 OC1CCCC1c2cncc(F)c2 Amb18185005 [0,1,0,1,0,0|1,0,0]=3 6427 B14R2.269 OC1CCNC1c2cccc(Br)c2 Amb18726734 [0,1,0,1,0,0|1,0,0]=3 6428 B14R2.269 OC1CCNC1c2cccc(Cl)c2 Amb18188146 [0,1,0,1,0,0|1,0,0]=3 6429 B14R2.269 OC1CCNC1c2cccc(F)c2 Amb18193149 [0,1,0,1,0,0|1,0,0]=3 6430 B14R2.269 OC1CNCC1c2cccc(Br)c2 Amb33213346 [0,1,0,1,0,0|1,0,0]=3 6431 B14R2.269 OC1CNCC1c2cccc(Cl)c2 Amb24374807 [0,1,0,1,0,0|1,0,0]=3 6432 B14R2.269 OC1CNCC1c2cccc(F)c2 Amb25940232 [0,1,0,1,0,0|1,0,0]=3 6433 B14R2.269 OC1CNCC1c2cncc(F)c2 Amb32944995 [0,1,0,1,0,0|2,0,0]=4 6434 B14R2.269 OC1COCC1c2cccc(Br)c2 Amb32950046 [0,1,0,1,0,0|1,0,0]=3 6435 B14R2.269 OC1COCC1c2cccc(Cl)c2 Amb32944957 [0,1,0,1,0,0|1,0,0]=3 6436 B14R2.269 OC1COCC1c2cccc(F)c2 Amb32945373 [0,1,0,1,0,0|1,0,0]=3 6437 B14R2.269 OC1COCC1c2cncc(F)c2 Amb33212955 [0,1,0,1,0,0|2,0,0]=4 6438 B14R2.269 ON1CCCC1c2cccc(Br)c2 Amb18156198 [0,1,0,1,0,0|1,0,0]=3 6439 B14R2.269 O[C@@H]1CCC[C@H]1c2cccc(Br)c2 Amb32944593 [0,1,0,1,0,0|0,0,0]=2 6440 B14R2.269 O[C@@H]1CCC[C@H]1c2cccc(Cl)c2 Amb24749593 [0,1,0,1,0,0|0,0,0]=2 6441 B14R2.269 O[C@@H]1CCC[C@H]1c2cccc(F)c2 Amb26349297 [0,1,0,1,0,0|0,0,0]=2 6442 B14R2.269 O[C@@H]1CCC[C@H]1c2cncc(F)c2 Amb32945243 [0,1,0,1,0,0|1,0,0]=3 6443 B14R2.269 O[C@@H]1CNC[C@H]1c2cccc(Br)c2 Amb32950118 [0,1,0,1,0,0|1,0,0]=3 6444 B14R2.269 O[C@@H]1CNC[C@H]1c2cccc(Cl)c2 Amb27419895 [0,1,0,1,0,0|1,0,0]=3 6445 B14R2.269 O[C@@H]1CNC[C@H]1c2cccc(F)c2 Amb32944864 [0,1,0,1,0,0|1,0,0]=3 6446 B14R2.269 O[C@@H]1CNC[C@H]1c2cncc(F)c2 Amb32950417 [0,1,0,1,0,0|2,0,0]=4 6447 B14R2.269 O[C@@H]1COC[C@H]1c2cccc(Br)c2 Amb32950495 [0,1,0,1,0,0|1,0,0]=3 6448 B14R2.269 O[C@@H]1COC[C@H]1c2cccc(Cl)c2 Amb33213362 [0,1,0,1,0,0|1,0,0]=3 6449 B14R2.269 O[C@@H]1COC[C@H]1c2cccc(F)c2 Amb32945361 [0,1,0,1,0,0|1,0,0]=3 6450 B14R2.269 O[C@@H]1COC[C@H]1c2cncc(F)c2 Amb32950784 [0,1,0,1,0,0|2,0,0]=4 6451 B14R2.269 O[C@H]1CCC[C@@H]1c2cccc(Cl)c2 Amb24514785 [0,1,0,1,0,0|0,0,0]=2 6452 B14R2.269 O[C@H]1CCC[C@H]1c2cccc(Cl)c2 Amb27651906 [0,1,0,1,0,0|0,0,0]=2 6453 B14R2.269 Oc1cccc(C2CCCC2O)c1 Amb32950779 [0,1,0,1,0,0|0,0,0]=2 6454 B14R2.269 Oc1cccc(C2CNCC2O)c1 Amb33213531 [0,1,0,1,0,0|1,0,0]=3 6455 B14R2.269 Oc1cccc(C2COCC2O)c1 Amb32950045 [0,1,0,1,0,0|1,0,0]=3 6456 B14R2.269 Oc1cccc(C2NCCC2O)c1 Amb18194675 [0,1,0,1,0,0|1,0,0]=3 6457 B14R2.269 Oc1cccc([C@@H]2CCC[C@H]2O)c1 Amb32944796 [0,1,0,1,0,0|0,0,0]=2 6458 B14R2.269 Oc1cccc([C@@H]2CNC[C@H]2O)c1 Amb32944194 [0,1,0,1,0,0|1,0,0]=3 6459 B14R2.269 Oc1cccc([C@@H]2COC[C@H]2O)c1 Amb32950169 [0,1,0,1,0,0|1,0,0]=3 6460 B14R2.270 Cc1cccc(CC2CCC2O)c1 Amb32944781 [0,1,0,1,0,0|0,0,0]=2 6461 B14R2.270 Cc1cccc(NC2CCC2C)c1 Amb27267525 [0,1,0,1,0,0|2,0,0]=4 6462 B14R2.270 Cc1cccc(N[C@@H]2CC[C@H]2O)n1 Amb27882121 [0,1,0,1,0,0|2,0,0]=4 6463 B14R2.270 Cc1ccnc(N[C@@H]2CC[C@H]2O)c1 Amb27954824 [0,1,0,1,0,0|2,0,0]=4 6464 B14R2.270 NC1CCC1Cc2cccc(Br)c2 Amb28250640 [0,1,0,1,0,0|1,0,0]=3 6465 B14R2.270 Nc1cc(CC2CCC2O)ccn1 Amb33213194 [0,1,0,1,0,0|1,0,0]=3 6466 B14R2.270 OC1CCC1Cc2cccc(Br)c2 Amb32944640 [0,1,0,1,0,0|0,0,0]=2 6467 B14R2.270 OC1CCC1Cc2cccc(Cl)c2 Amb32950269 [0,1,0,1,0,0|0,0,0]=2 6468 B14R2.270 OC1CCC1Cc2cccc(F)c2 Amb32945254 [0,1,0,1,0,0|0,0,0]=2 6469 B14R2.270 OC1CCC1Cc2cncc(Br)c2 Amb33213364 [0,1,0,1,0,0|1,0,0]=3 6470 B14R2.270 OC1CCC1Cc2cncc(Cl)c2 Amb33213090 [0,1,0,1,0,0|1,0,0]=3 6471 B14R2.270 OC1CCC1Nc2cccc(Cl)c2 Amb31199843 [0,1,0,1,0,0|1,0,0]=3 6472 B14R2.270 OC1CCC1Nc2cccc(F)c2 Amb31199857 [0,1,0,1,0,0|1,0,0]=3 6473 B14R2.270 O[C@@H]1CC[C@H]1Nc2cc(Br)ccn2 Amb27420902 [0,1,0,1,0,0|2,0,0]=4 6474 B14R2.270 O[C@@H]1CC[C@H]1Oc2cccc(Cl)c2 Amb33612063 [0,1,0,1,0,0|1,0,0]=3 6475 B14R2.270 Oc1cccc(CC2CCC2O)c1 Amb33213013 [0,1,0,1,0,0|0,0,0]=2 6476 B14R2.270 Oc1cccc(NC2CCC2O)c1 Amb31199862 [0,1,0,1,0,0|1,0,0]=3 6477 B14R2.467 CCCC1CCc2cc(N)ccc21 Amb27415329 [0,1,0,1,0,0|1,0,0]=3 6478 B14R2.467 CCCN1CCc2cc(Br)ccc21 Amb27220042 [0,1,0,1,0,0|2,0,0]=4 6479 B14R2.467 CCCN1CCc2cc(F)ccc21 Amb27665096 [0,1,0,1,0,0|2,0,0]=4 6480 B14R2.467 CCNC1CCc2cc(Br)ccc21 Amb27478797 [0,1,0,1,0,0|2,0,0]=4 6481 B14R2.467 CCNC1CCc2cc(Cl)ccc21 Amb27165395 [0,1,0,1,0,0|2,0,0]=4 6482 B14R2.467 CCNC1CCc2cc(N)ccc21 Amb27416090 [0,1,0,1,0,0|2,0,0]=4 6483 B14R2.467 CNCC1CCc2cc(C)ccc21 Amb17470536 [0,1,0,1,0,0|2,0,0]=4 6484 B14R2.467 CNCC1CCc2cc(Cl)ccc21 Amb17470933 [0,1,0,1,0,0|2,0,0]=4 6485 B14R2.467 CNCC1CCc2cc(F)ccc21 Amb17470604 [0,1,0,1,0,0|2,0,0]=4 6486 B14R2.467 Cc1ccc2c(c1)CCC2CC#N Amb27267954 [0,1,0,1,0,0|1,0,1]=4 6487 B14R2.467 Cc1ccc2c(c1)CCC2CCN Amb17470534 [0,1,0,1,0,0|1,0,0]=3 6488 B14R2.467 Cc1ccc2c(c1)CCN2CCN Amb26618468 [0,1,0,1,0,0|2,0,0]=4 6489 B14R2.467 FCCN1CCc2cc(F)ccc21 Amb27261035 [0,1,0,1,0,0|2,0,0]=4 6490 B14R2.467 N#CCC1CCc2cc(Br)ccc21 Amb27597630 [0,1,0,1,0,0|1,0,1]=4 6491 B14R2.467 N#CCC1CCc2cc(F)ccc21 Amb28399257 [0,1,0,1,0,0|1,0,1]=4 6492 B14R2.467 NCCC1CCc2cc(Cl)ccc21 Amb17470931 [0,1,0,1,0,0|1,0,0]=3 6493 B14R2.467 NCCC1CCc2cc(F)ccc21 Amb17470602 [0,1,0,1,0,0|1,0,0]=3 6494 B14R2.467 NCCC1CCc2cc(O)ccc21 Amb28135306 [0,1,0,1,0,0|1,0,0]=3 6495 B14R2.467 NCCC1CNc2cc(Br)ccc21 Amb18063027 [0,1,0,1,0,0|2,0,0]=4 6496 B14R2.467 NCCC1CNc2cc(Cl)ccc21 Amb18063026 [0,1,0,1,0,0|2,0,0]=4 6497 B14R2.467 NCCC1CNc2cc(F)ccc21 Amb18561073 [0,1,0,1,0,0|2,0,0]=4 6498 B14R2.467 NCCC1COc2cc(Br)ccc21 Amb26026202 [0,1,0,1,0,0|2,0,0]=4 6499 B14R2.467 NCCC1COc2cc(Cl)ccc21 Amb24566079 [0,1,0,1,0,0|2,0,0]=4 6500 B14R2.467 NCCN1CCc2cc(Br)ccc21 Amb24769533 [0,1,0,1,0,0|2,0,0]=4 6501 B14R2.467 NCCN1CCc2cc(Cl)ccc21 Amb27851438 [0,1,0,1,0,0|2,0,0]=4 6502 B14R2.467 NCCN1CCc2cc(F)ccc21 Amb26046210 [0,1,0,1,0,0|2,0,0]=4 6503 B14R2.467 Nc1ccc2c(c1)CCN2CCO Amb6702419 [0,1,0,1,0,0|1,0,0]=3 6504 B14R2.467 O=CCC1CCc2cc(F)ccc21 Amb27598719 [0,1,0,1,0,0|0,0,2]=4 6505 B14R2.467 OCCC1CCc2cc(Br)ccc21 Amb27408096 [0,1,0,1,0,0|0,0,0]=2 6506 B14R2.467 OCCC1CCc2cc(F)ccc21 Amb10605439 [0,1,0,1,0,0|0,0,0]=2 6507 B14R2.467 OCCC1CNc2cc(Br)ccc21 Amb18063476 [0,1,0,1,0,0|1,0,0]=3 6508 B14R2.467 OCCC1CNc2cc(Cl)ccc21 Amb18063475 [0,1,0,1,0,0|1,0,0]=3 6509 B14R2.467 OCCC1CNc2cc(F)ccc21 Amb18063483 [0,1,0,1,0,0|1,0,0]=3 6510 B14R2.467 OCCN1CCc2cc(Cl)ccc21 Amb28369548 [0,1,0,1,0,0|1,0,0]=3 6511 B14R2.716 Brc1cccc(CC2=CCCC2)c1 Amb35605491 [0,1,0,1,0,0|1,0,1]=4 6512 B14R2.716 Brc1cccc(CC2CCCN2)c1 Amb17255078 [0,1,0,1,0,0|1,0,0]=3 6513 B14R2.716 Brc1cccc(CC2CCCN2)c1 Amb28555875 [0,1,0,1,0,0|1,0,0]=3 6514 B14R2.716 Brc1cccc(CC2CCCN2)n1 Amb33432807 [0,1,0,1,0,0|2,0,0]=4 6515 B14R2.716 Brc1cccc(CC2CCNC2)c1 Amb17472799 [0,1,0,1,0,0|2,0,0]=4 6516 B14R2.716 Brc1cccc(CN2CCCC2)c1 Amb22588106 [0,1,0,1,0,0|2,0,0]=4 6517 B14R2.716 Brc1cccc(CN2CCCC2)c1 Amb2592073 [0,1,0,1,0,0|2,0,0]=4 6518 B14R2.716 Brc1cccc(CN2CCCN2)c1 Amb27785251 [0,1,0,1,0,0|2,0,0]=4 6519 B14R2.716 Brc1cccc(NC2CCCC2)c1 Amb6696586 [0,1,0,1,0,0|2,0,0]=4 6520 B14R2.716 Brc1cccc(OC2CCCC2)c1 Amb33532906 [0,1,0,1,0,0|2,0,0]=4 6521 B14R2.716 Brc1cncc(CC2CCCN2)c1 Amb24688369 [0,1,0,1,0,0|2,0,0]=4 6522 B14R2.716 Brc1cncc(CN2CCCO2)c1 Amb27458609 [0,1,0,1,0,0|2,0,0]=4 6523 B14R2.716 Cc1cc(CC2CCCN2)ccn1 Amb3788254 [0,1,0,1,0,0|2,0,0]=4 6524 B14R2.716 Cc1cccc(CC2=CCCC2)c1 Amb27866804 [0,1,0,1,0,0|1,0,1]=4 6525 B14R2.716 Cc1cccc(CC2CCCN2)c1 Amb2234808 [0,1,0,1,0,0|1,0,0]=3 6526 B14R2.716 Cc1cccc(CC2CCCN2)n1 Amb2235346 [0,1,0,1,0,0|2,0,0]=4 6527 B14R2.716 Cc1cccc(CC2CCNC2)c1 Amb17470529 [0,1,0,1,0,0|2,0,0]=4 6528 B14R2.716 Cc1cccc(CN2CCCC2)c1 Amb27786905 [0,1,0,1,0,0|2,0,0]=4 6529 B14R2.716 Cc1cccc(CN2CCCN2)c1 Amb27469109 [0,1,0,1,0,0|2,0,0]=4 6530 B14R2.716 Cc1cccc(CN2CCCO2)c1 Amb27407550 [0,1,0,1,0,0|1,0,0]=3 6531 B14R2.716 Cc1cccc(C[C@@H]2CCCN2)c1 Amb33191269 [0,1,0,1,0,0|1,0,0]=3 6532 B14R2.716 Cc1cccc(C[C@H]2CCCN2)c1 Amb33191260 [0,1,0,1,0,0|1,0,0]=3 6533 B14R2.716 Cc1cccc(NC2CCCC2)c1 Amb6684415 [0,1,0,1,0,0|2,0,0]=4 6534 B14R2.716 Cc1cccc(OC2CCCC2)c1 Amb27257586 [0,1,0,1,0,0|2,0,0]=4 6535 B14R2.716 Cc1ccnc(CC2CCCN2)c1 Amb2237178 [0,1,0,1,0,0|2,0,0]=4 6536 B14R2.716 Cc1cncc(CC2CCCN2)c1 Amb33318378 [0,1,0,1,0,0|2,0,0]=4 6537 B14R2.716 Clc1cccc(CC2=CCCC2)c1 Amb27856461 [0,1,0,1,0,0|1,0,1]=4 6538 B14R2.716 Clc1cccc(CC2CCCN2)c1 Amb2234806 [0,1,0,1,0,0|1,0,0]=3 6539 B14R2.716 Clc1cccc(CC2CCCN2)n1 Amb33223287 [0,1,0,1,0,0|2,0,0]=4 6540 B14R2.716 Clc1cccc(CC2CCNC2)c1 Amb17470927 [0,1,0,1,0,0|2,0,0]=4 6541 B14R2.716 Clc1cccc(CC2OCCO2)c1 Amb6306163 [0,1,0,1,0,0|1,0,0]=3 6542 B14R2.716 Clc1cccc(CN2CCCC2)c1 Amb25160634 [0,1,0,1,0,0|2,0,0]=4 6543 B14R2.716 Clc1cccc(CN2CCCO2)c1 Amb27774660 [0,1,0,1,0,0|1,0,0]=3 6544 B14R2.716 Clc1cccc(CN2CCCO2)n1 Amb27982726 [0,1,0,1,0,0|2,0,0]=4 6545 B14R2.716 Clc1cccc(NC2CCCC2)c1 Amb6695663 [0,1,0,1,0,0|2,0,0]=4 6546 B14R2.716 Clc1cccc(OC2CCCC2)c1 Amb27771468 [0,1,0,1,0,0|2,0,0]=4 6547 B14R2.716 Fc1cccc(CC2CCCN2)c1 Amb10205345 [0,1,0,1,0,0|1,0,0]=3 6548 B14R2.716 Fc1cccc(CC2CCCN2)c1 Amb6244787 [0,1,0,1,0,0|1,0,0]=3 6549 B14R2.716 Fc1cccc(CC2CCNC2)c1 Amb18065845 [0,1,0,1,0,0|2,0,0]=4 6550 B14R2.716 Fc1cccc(CC2CCNC2)c1 Amb28988470 [0,1,0,1,0,0|2,0,0]=4 6551 B14R2.716 Fc1cccc(CN2CCCC2)c1 Amb10671442 [0,1,0,1,0,0|2,0,0]=4 6552 B14R2.716 Fc1cccc(CN2CCCN2)c1 Amb27866653 [0,1,0,1,0,0|2,0,0]=4 6553 B14R2.716 Fc1cccc(CN2CCCO2)c1 Amb27763552 [0,1,0,1,0,0|1,0,0]=3 6554 B14R2.716 Fc1cccc(NC2CCCC2)c1 Amb6695776 [0,1,0,1,0,0|2,0,0]=4 6555 B14R2.716 Fc1cccc(SC2CCCC2)c1 Amb27771223 [0,1,0,1,0,0|2,0,0]=4 6556 B14R2.716 Fc1ccnc(CC2CCCN2)c1 Amb33415288 [0,1,0,1,0,0|2,0,0]=4 6557 B14R2.716 Fc1ccnc(CC2CCCO2)n1 Amb35653618 [0,1,0,1,0,0|2,0,0]=4 6558 B14R2.716 Fc1cncc(CC2CCCN2)c1 Amb33196975 [0,1,0,1,0,0|2,0,0]=4 6559 B14R2.716 Ic1cccc(CC2CCNC2)c1 Amb25365097 [0,1,0,1,0,0|2,0,0]=4 6560 B14R2.716 Ic1cccc(CC2CCNC2)c1 Amb26304246 [0,1,0,1,0,0|2,0,0]=4 6561 B14R2.716 Ic1cccc(CN2CCCC2)c1 Amb2724043 [0,1,0,1,0,0|2,0,0]=4 6562 B14R2.716 Ic1cccc(OC2CCCC2)c1 Amb27187438 [0,1,0,1,0,0|2,0,0]=4 6563 B14R2.716 Nc1cccc(CC2CCCC2)c1 Amb18563272 [0,1,0,1,0,0|1,0,0]=3 6564 B14R2.716 Nc1cccc(CC2CCCO2)c1 Amb18195957 [0,1,0,1,0,0|0,0,0]=2 6565 B14R2.716 Nc1cccc(CC2CCNC2)c1 Amb27590197 [0,1,0,1,0,0|2,0,0]=4 6566 B14R2.716 Nc1cccc(CN2CCCC2)c1 Amb2721914 [0,1,0,1,0,0|2,0,0]=4 6567 B14R2.716 Nc1cccc(CN2CCCC2)c1 Amb8503331 [0,1,0,1,0,0|2,0,0]=4 6568 B14R2.716 Nc1cccc(CN2CCCO2)c1 Amb27643225 [0,1,0,1,0,0|1,0,0]=3 6569 B14R2.716 Nc1cccc(NC2CCCC2)c1 Amb33533213 [0,1,0,1,0,0|2,0,0]=4 6570 B14R2.716 Nc1cccc(OC2CCCC2)c1 Amb1126687 [0,1,0,1,0,0|2,0,0]=4 6571 B14R2.716 Nc1cccc(OC2CCCC2)c1 Amb6892414 [0,1,0,1,0,0|2,0,0]=4 6572 B14R2.716 Nc1cccc(SC2CCCC2)c1 Amb27414485 [0,1,0,1,0,0|2,0,0]=4 6573 B14R2.716 Oc1cccc(CC2CCCC2)c1 Amb18563274 [0,1,0,1,0,0|1,0,0]=3 6574 B14R2.716 Oc1cccc(CC2CCCN2)c1 Amb18062876 [0,1,0,1,0,0|1,0,0]=3 6575 B14R2.716 Oc1cccc(CC2CCNC2)c1 Amb25895924 [0,1,0,1,0,0|2,0,0]=4 6576 B14R2.716 Oc1cccc(CN2CCCC2)c1 Amb10817373 [0,1,0,1,0,0|2,0,0]=4 6577 B14R2.716 Oc1cccc(CN2CCCN2)c1 Amb27815582 [0,1,0,1,0,0|2,0,0]=4 6578 B14R2.716 Oc1cccc(CN2CCCO2)c1 Amb28043880 [0,1,0,1,0,0|1,0,0]=3 6579 B14R2.716 Oc1cccc(OC2CCCC2)c1 Amb8837420 [0,1,0,1,0,0|2,0,0]=4 6580 B14R2.716 Oc1cccc(SC2CCCC2)c1 Amb26013202 [0,1,0,1,0,0|2,0,0]=4 6581 B14R2.716 Sc1cccc(CN2CCCC2)c1 Amb19649794 [0,1,0,1,0,0|2,0,0]=4 6582 B14R2.1073 CCC1CCNc2cc(N)ccc21 Amb27966758 [0,1,0,1,0,0|2,0,0]=4 6583 B14R2.1073 CCC1CCNc2cc(O)ccc21 Amb27985868 [0,1,0,1,0,0|2,0,0]=4 6584 B14R2.1073 CCC1CNCc2cc(C)ccc21 Amb17400522 [0,1,0,1,0,0|2,0,0]=4 6585 B14R2.1073 CCC1CNCc2cc(Cl)ccc21 Amb17402074 [0,1,0,1,0,0|2,0,0]=4 6586 B14R2.1073 CCC1CNCc2cc(F)ccc21 Amb17400724 [0,1,0,1,0,0|2,0,0]=4 6587 B14R2.1073 CCC1NCCc2cc(C)ccc21 Amb5735655 [0,1,0,1,0,0|2,0,0]=4 6588 B14R2.1073 CCC1NCCc2cc(O)ccc21 Amb28061635 [0,1,0,1,0,0|2,0,0]=4 6589 B14R2.1073 CCN1CCCc2cc(Cl)ccc21 Amb27661647 [0,1,0,1,0,0|2,0,0]=4 6590 B14R2.1073 CCN1CCCc2cc(F)ccc21 Amb24621095 [0,1,0,1,0,0|2,0,0]=4 6591 B14R2.1073 CCN1CCCc2cc(I)ccc21 Amb28290725 [0,1,0,1,0,0|2,0,0]=4 6592 B14R2.1073 CCN1CCCc2cc(N)ccc21 Amb6683458 [0,1,0,1,0,0|2,0,0]=4 6593 B14R2.1073 CCN1CCCc2cc(O)ccc21 Amb27227020 [0,1,0,1,0,0|2,0,0]=4 6594 B14R2.1073 CNC1CCCc2cc(Br)ccc21 Amb27458590 [0,1,0,1,0,0|2,0,0]=4 6595 B14R2.1073 CNC1CCCc2cc(Cl)ccc21 Amb33295109 [0,1,0,1,0,0|2,0,0]=4 6596 B14R2.1073 CNC1CCCc2cc(F)ccc21 Amb27759032 [0,1,0,1,0,0|2,0,0]=4 6597 B14R2.1073 CNC1CCCc2cc(F)ccc21 Amb33291353 [0,1,0,1,0,0|2,0,0]=4 6598 B14R2.1073 Cc1ccc2c(c1)CNCC2CN Amb17400577 [0,1,0,1,0,0|2,0,0]=4 6599 B14R2.1073 Cc1ccc2c(c1)NCCC2CN Amb18062754 [0,1,0,1,0,0|2,0,0]=4 6600 B14R2.1073 Cc1ccc2c(c1)NCCC2CO Amb26484794 [0,1,0,1,0,0|1,0,0]=3 6601 B14R2.1073 FCC1NCCc2cc(Cl)ccc21 Amb27438034 [0,1,0,1,0,0|2,0,0]=4 6602 B14R2.1073 NCC1CCCc2cc(F)ccc21 Amb28056033 [0,1,0,1,0,0|1,0,0]=3 6603 B14R2.1073 NCC1CCCc2cc(N)ccc21 Amb28240506 [0,1,0,1,0,0|1,0,0]=3 6604 B14R2.1073 NCC1CCNc2cc(Cl)ccc21 Amb18062755 [0,1,0,1,0,0|2,0,0]=4 6605 B14R2.1073 NCC1CCNc2cc(F)ccc21 Amb27629317 [0,1,0,1,0,0|2,0,0]=4 6606 B14R2.1073 NCC1CCSc2cc(F)ccc21 Amb27419810 [0,1,0,1,0,0|2,0,0]=4 6607 B14R2.1073 NCC1CNCc2cc(Cl)ccc21 Amb17402171 [0,1,0,1,0,0|2,0,0]=4 6608 B14R2.1073 NCC1CNCc2cc(F)ccc21 Amb17400775 [0,1,0,1,0,0|2,0,0]=4 6609 B14R2.1073 O=C1C=CC2=C(CCCC2NO)N1 Amb28314317 [0,1,0,1,0,0|2,0,0]=4 6610 B14R2.1073 O=CC1CCCc2cc(O)ccc21 Amb27187243 [0,1,0,1,0,0|0,0,2]=4 6611 B14R2.1073 OCC1CCNc2cc(Cl)ccc21 Amb25046563 [0,1,0,1,0,0|1,0,0]=3 6612 B14R2.1073 OCC1CCNc2cc(F)ccc21 Amb24368815 [0,1,0,1,0,0|1,0,0]=3 6613 B14R2.1073 OCC1NCCc2cc(Cl)ccc21 Amb25676349 [0,1,0,1,0,0|1,0,0]=3 6614 B14R2.1073 OC[C@H]1NCCc2cc(Cl)ccc21 Amb27469909 [0,1,0,1,0,0|1,0,0]=3 6615 B14R2.1073 ONC1CCCc2cc(O)ccc21 Amb27601050 [0,1,0,1,0,0|1,0,0]=3 6616 B14R2.1073 O\N=C1\CCCc2cc(Br)ccc21 Amb27617846 [0,1,0,1,0,0|1,0,1]=4 6617 B14R2.1073 O\N=C1\CCCc2cc(O)ccc21 Amb28397769 [0,1,0,1,0,0|1,0,1]=4 6618 B14R2.1073 Oc1ccc2c(c1)CCCC2CBr Amb27412509 [0,1,0,1,0,0|1,0,0]=3 6619 B14R2.1073 Oc1ccc2c(c1)CCNC2CF Amb28434932 [0,1,0,1,0,0|2,0,0]=4 6620 B14R2.1252 c1cc2cc(c1)CSCCCSC2 Amb4010544 [0,1,0,1,0,0|1,1,0]=4 6621 B14R2.4475 Brc1cccc(CCC2CCN2)c1 Amb33433393 [0,1,0,1,0,0|1,0,0]=3 6622 B14R2.4475 Brc1cccc(CCC2CNC2)c1 Amb33433432 [0,1,0,1,0,0|2,0,0]=4 6623 B14R2.4475 Brc1cccc(COC2CCC2)c1 Amb27249105 [0,1,0,1,0,0|2,0,0]=4 6624 B14R2.4475 Brc1cccc(OCC2CCC2)c1 Amb23443774 [0,1,0,1,0,0|2,0,0]=4 6625 B14R2.4475 Cc1cccc(CNC2CCC2)c1 Amb18989357 [0,1,0,1,0,0|2,0,0]=4 6626 B14R2.4475 Clc1cccc(CNC2CCC2)c1 Amb19064471 [0,1,0,1,0,0|2,0,0]=4 6627 B14R2.4475 Clc1cccc(NCC2CCC2)c1 Amb28124547 [0,1,0,1,0,0|2,0,0]=4 6628 B14R2.4475 Fc1cccc(CNC2CCC2)c1 Amb18296805 [0,1,0,1,0,0|2,0,0]=4 6629 B14R2.4475 Fc1cccc(NCC2CCC2)c1 Amb27869358 [0,1,0,1,0,0|2,0,0]=4 6630 B14R2.4475 Fc1cccc(OCC2CCN2)c1 Amb27798407 [0,1,0,1,0,0|2,0,0]=4 6631 B14R2.4475 Fc1cccc(OC[C@@H]2CCN2)c1 Amb27748668 [0,1,0,1,0,0|2,0,0]=4 6632 B14R2.4475 Fc1cccc(SCC2CCC2)c1 Amb28122146 [0,1,0,1,0,0|2,0,0]=4 6633 B14R2.4475 Nc1cccc(CNC2CCC2)c1 Amb18298114 [0,1,0,1,0,0|2,0,0]=4 6634 B14R2.4475 Nc1cccc(COC2CCC2)c1 Amb18295625 [0,1,0,1,0,0|2,0,0]=4 6635 B14R2.4475 Nc1cccc(OCC2CCC2)c1 Amb23536446 [0,1,0,1,0,0|2,0,0]=4 6636 B14R2.4475 Oc1cccc(OCC2CCC2)c1 Amb23443771 [0,1,0,1,0,0|2,0,0]=4 6637 B14R2.5715 Brc1ccc2c(c1)OCCCCO2 Amb27239896 [0,1,0,1,0,0|1,0,0]=3 6638 B14R2.5715 Cc1ccc2c(c1)NCCCCO2 Amb27225823 [0,1,0,1,0,0|1,0,0]=3 6639 B14R2.5715 Clc1ccc2c(c1)NCCCCS2 Amb25695498 [0,1,0,1,0,0|1,1,0]=4 6640 B14R2.5715 Nc1ccc2c(c1)OCCCCO2 Amb27391658 [0,1,0,1,0,0|1,0,0]=3 6641 B14R2.5715 O=C1C=CC2=C(CCCCCC2)N1 Amb23450147 [0,1,0,1,0,0|2,0,0]=4 6642 B14R2.6368 CCCC1NCc2cccc(F)c21 Amb27958832 [0,1,0,1,0,0|2,0,0]=4 6643 B14R2.6368 CNCC1CCc2cccc(C)c21 Amb17470537 [0,1,0,1,0,0|2,0,0]=4 6644 B14R2.6368 CNCC1CCc2cccc(Cl)c21 Amb17470934 [0,1,0,1,0,0|2,0,0]=4 6645 B14R2.6368 CNCC1CCc2cccc(F)c21 Amb17470605 [0,1,0,1,0,0|2,0,0]=4 6646 B14R2.6368 Cc1cccc2c1C(CCN)CC2 Amb17470535 [0,1,0,1,0,0|1,0,0]=3 6647 B14R2.6368 Cc1cccc2c1N(CCN)CC2 Amb26038861 [0,1,0,1,0,0|2,0,0]=4 6648 B14R2.6368 FCCN1CCc2cccc(F)c21 Amb27262433 [0,1,0,1,0,0|2,0,0]=4 6649 B14R2.6368 Fc1cccc2c1N(CCI)CC2 Amb27771224 [0,1,0,1,0,0|2,0,0]=4 6650 B14R2.6368 NCCC1CCc2cccc(Br)c21 Amb27879666 [0,1,0,1,0,0|1,0,0]=3 6651 B14R2.6368 NCCC1CCc2cccc(Cl)c21 Amb17470932 [0,1,0,1,0,0|1,0,0]=3 6652 B14R2.6368 NCCC1CCc2cccc(F)c21 Amb17470603 [0,1,0,1,0,0|1,0,0]=3 6653 B14R2.6368 NCCN1CCc2cccc(Br)c21 Amb24704387 [0,1,0,1,0,0|2,0,0]=4 6654 B14R2.6368 NCCN1CCc2cccc(Cl)c21 Amb26500560 [0,1,0,1,0,0|2,0,0]=4 6655 B14R2.6368 NCCN1CCc2cccc(F)c21 Amb28292496 [0,1,0,1,0,0|2,0,0]=4 6656 B14R2.6368 Nc1cccc2c1N(CCF)CC2 Amb27827721 [0,1,0,1,0,0|2,0,0]=4 6657 B14R2.6368 OCCC1CCc2cccc(Cl)c21 Amb27663463 [0,1,0,1,0,0|0,0,0]=2 6658 B14R2.7963 Nc1cccc2c1OCCCCO2 Amb27657665 [0,1,0,1,0,0|1,0,0]=3 6659 B14R2.8719 CC1CNCCc2cc(Cl)ccc21 Amb25858715 [0,1,0,1,0,0|2,0,0]=4 6660 B14R2.8719 CC1NCCCc2cc(Br)ccc21 Amb18156895 [0,1,0,1,0,0|2,0,0]=4 6661 B14R2.8719 CN1CCCCc2cc(Br)ccc21 Amb18157021 [0,1,0,1,0,0|2,0,0]=4 6662 B14R2.8719 CN1CCCCc2cc(N)ccc21 Amb18196479 [0,1,0,1,0,0|2,0,0]=4 6663 B14R2.8719 Cc1ccc2c(c1)NCCCC2F Amb27646871 [0,1,0,1,0,0|2,0,0]=4 6664 B14R2.8719 Cc1ccc2c(c1)OCCCC2N Amb18195935 [0,1,0,1,0,0|2,0,0]=4 6665 B14R2.8719 Cc1ccc2c(c1)OCCC[C@@H]2O Amb28048671 [0,1,0,1,0,0|1,0,0]=3 6666 B14R2.8719 Fc1ccc2c(c1)CNCCC2F Amb27439951 [0,1,0,1,0,0|2,0,0]=4 6667 B14R2.8719 NC1CCCCc2cc(Br)ccc21 Amb24496571 [0,1,0,1,0,0|1,0,0]=3 6668 B14R2.8719 NC1CCCCc2cc(Br)ccc21 Amb28556146 [0,1,0,1,0,0|1,0,0]=3 6669 B14R2.8719 NC1CCCCc2cc(Cl)ccc21 Amb27977862 [0,1,0,1,0,0|1,0,0]=3 6670 B14R2.8719 NC1CCCNc2cc(Br)ccc21 Amb18156464 [0,1,0,1,0,0|2,0,0]=4 6671 B14R2.8719 NC1CCCNc2cc(F)ccc21 Amb27798889 [0,1,0,1,0,0|2,0,0]=4 6672 B14R2.8719 NC1CCCOc2cc(Cl)ccc21 Amb18188158 [0,1,0,1,0,0|2,0,0]=4 6673 B14R2.8719 NC1CCCOc2cc(Cl)ccc21 Amb32712097 [0,1,0,1,0,0|2,0,0]=4 6674 B14R2.8719 NC1CCCOc2cc(F)ccc21 Amb17578312 [0,1,0,1,0,0|2,0,0]=4 6675 B14R2.8719 NC1CCCOc2cc(F)ccc21 Amb32941835 [0,1,0,1,0,0|2,0,0]=4 6676 B14R2.8719 N[C@@H]1CCCOc2cc(Br)ccc21 Amb28203413 [0,1,0,1,0,0|2,0,0]=4 6677 B14R2.8719 N[C@@H]1CCCOc2cc(Cl)ccc21 Amb27816998 [0,1,0,1,0,0|2,0,0]=4 6678 B14R2.8719 Nc1ccc2c(c1)CCCCC2=O Amb21962779 [0,1,0,1,0,0|0,0,2]=4 6679 B14R2.8719 O=C1CCCCc2cc(Br)ccc21 Amb19889465 [0,1,0,1,0,0|0,0,2]=4 6680 B14R2.8719 O=C1CCCCc2cc(Cl)ccc21 Amb22277073 [0,1,0,1,0,0|0,0,2]=4 6681 B14R2.8719 O=C1CCCCc2cc(O)ccc21 Amb8439551 [0,1,0,1,0,0|0,0,2]=4 6682 B14R2.8719 OC1CC=CCc2cc(F)ccc21 Amb27805262 [0,1,0,1,0,0|0,0,2]=4 6683 B14R2.8719 OC1CCCCc2cc(Br)ccc21 Amb25711486 [0,1,0,1,0,0|0,0,0]=2 6684 B14R2.8719 OC1CCCCc2cc(Cl)ccc21 Amb28042560 [0,1,0,1,0,0|0,0,0]=2 6685 B14R2.8719 OC1CCCCc2cc(F)ccc21 Amb27953080 [0,1,0,1,0,0|0,0,0]=2 6686 B14R2.8719 OC1CCCOc2cc(Br)ccc21 Amb33532588 [0,1,0,1,0,0|1,0,0]=3 6687 B14R2.8719 O[C@@H]1CC=CCc2cc(F)ccc21 Amb27588335 [0,1,0,1,0,0|0,0,2]=4 6688 B14R2.8719 O[C@@H]1CCCOc2cc(Br)ccc21 Amb27864652 [0,1,0,1,0,0|1,0,0]=3 6689 B14R2.8719 O[C@@H]1CCCOc2cc(Cl)ccc21 Amb27404136 [0,1,0,1,0,0|1,0,0]=3 6690 B14R2.8719 O[C@H]1CCCOc2cc(Br)ccc21 Amb27416040 [0,1,0,1,0,0|1,0,0]=3 6691 B14R2.8719 O[C@H]1CCCOc2cc(Cl)ccc21 Amb27461903 [0,1,0,1,0,0|1,0,0]=3 6692 B14R2.8719 SC1CCCOc2cc(Br)ccc21 Amb32788339 [0,1,0,1,0,0|1,1,0]=4 6693 B14R2.8864 CC1CCNCc2cccc(Cl)c21 Amb27604363 [0,1,0,1,0,0|2,0,0]=4 6694 B14R2.8864 CC1CNCCc2cccc(Cl)c21 Amb27415703 [0,1,0,1,0,0|2,0,0]=4 6695 B14R2.8864 CC1NCCCc2cccc(Br)c21 Amb18730580 [0,1,0,1,0,0|2,0,0]=4 6696 B14R2.8864 CN1CCCCc2cccc(Br)c21 Amb18156974 [0,1,0,1,0,0|2,0,0]=4 6697 B14R2.8864 CN1CCCCc2cccc(Cl)c21 Amb28124753 [0,1,0,1,0,0|2,0,0]=4 6698 B14R2.8864 CN1CCCCc2cccc(N)c21 Amb18196486 [0,1,0,1,0,0|2,0,0]=4 6699 B14R2.8864 Cc1cccc2c1C(O)CCCC2 Amb28079102 [0,1,0,1,0,0|0,0,0]=2 6700 B14R2.8864 FC1CCCNc2cccc(Cl)c21 Amb27842275 [0,1,0,1,0,0|2,0,0]=4 6701 B14R2.8864 Fc1cccc2c1C(F)CCCN2 Amb27629603 [0,1,0,1,0,0|2,0,0]=4 6702 B14R2.8864 Fc1cccc2c1C(F)CCNC2 Amb27842379 [0,1,0,1,0,0|2,0,0]=4 6703 B14R2.8864 NC1CCCOc2cccc(Br)c21 Amb18156122 [0,1,0,1,0,0|2,0,0]=4 6704 B14R2.8864 Nc1cccc2c1C(N)CCCC2 Amb28400764 [0,1,0,1,0,0|1,0,0]=3 6705 B14R2.8864 Nc1cccc2c1C(O)CCCC2 Amb27205707 [0,1,0,1,0,0|0,0,0]=2 6706 B14R2.8864 O=C1CCCCc2cccc(Br)c21 Amb27811949 [0,1,0,1,0,0|0,0,2]=4 6707 B14R2.8864 OC1CCCCc2cccc(Br)c21 Amb27449831 [0,1,0,1,0,0|0,0,0]=2 6708 B14R2.8864 OC1CCCCc2cccc(Cl)c21 Amb27641479 [0,1,0,1,0,0|0,0,0]=2 6709 B14R2.9061 Brc1cccc(CCCC2CO2)c1 Amb33433782 [0,1,0,1,0,0|0,0,0]=2 6710 B14R2.9061 Brc1cccc(CCNC2CC2)c1 Amb17410194 [0,1,0,1,0,0|2,0,0]=4 6711 B14R2.9061 Brc1cccc(CNCC2CC2)c1 Amb33527399 [0,1,0,1,0,0|2,0,0]=4 6712 B14R2.9061 Cc1cccc(CCNC2CC2)c1 Amb17400528 [0,1,0,1,0,0|2,0,0]=4 6713 B14R2.9061 Clc1cccc(CCNC2CC2)c1 Amb17402078 [0,1,0,1,0,0|2,0,0]=4 6714 B14R2.9061 Clc1cccc(CNCC2CC2)c1 Amb6686870 [0,1,0,1,0,0|2,0,0]=4 6715 B14R2.9061 Clc1cccc(NCCC2CC2)c1 Amb27408339 [0,1,0,1,0,0|2,0,0]=4 6716 B14R2.9061 Fc1cccc(CCNC2CC2)c1 Amb19344042 [0,1,0,1,0,0|2,0,0]=4 6717 B14R2.9061 Fc1cccc(CCNC2CC2)c1 Amb8853830 [0,1,0,1,0,0|2,0,0]=4 6718 B14R2.9061 Fc1cccc(CNCC2CC2)c1 Amb6686699 [0,1,0,1,0,0|2,0,0]=4 6719 B14R2.9061 Fc1cccc(OCCC2CO2)c1 Amb33080227 [0,1,0,1,0,0|1,0,0]=3 6720 B14R2.9061 Fc1cccc(OCC[C@@H]2CO2)c1 Amb33416854 [0,1,0,1,0,0|1,0,0]=3 6721 B14R2.9061 Fc1cccc(OCC[C@H]2CO2)c1 Amb33416855 [0,1,0,1,0,0|1,0,0]=3 6722 B14R2.9061 Ic1cccc(NCCC2CC2)c1 Amb28122559 [0,1,0,1,0,0|2,0,0]=4 6723 B14R2.9061 Nc1cccc(CCNC2CC2)c1 Amb18550428 [0,1,0,1,0,0|2,0,0]=4 6724 B14R2.9061 Nc1cccc(COCC2CC2)c1 Amb6681025 [0,1,0,1,0,0|2,0,0]=4 6725 B14R2.9061 Nc1cccc(OCCC2CC2)c1 Amb33035428 [0,1,0,1,0,0|2,0,0]=4 6726 B14R2.9061 Oc1cccc(CNCC2CC2)c1 Amb6686874 [0,1,0,1,0,0|2,0,0]=4 6727 B14R2.10497 CCCNC1Cc2cccc(F)c21 Amb32721664 [0,1,0,1,0,0|2,0,0]=4 6728 B14R2.11635 CCC1NCCc2cccc(C)c21 Amb27466525 [0,1,0,1,0,0|2,0,0]=4 6729 B14R2.11635 CCC1NCCc2cccc(F)c21 Amb28456949 [0,1,0,1,0,0|2,0,0]=4 6730 B14R2.11635 CCN1CCCc2cccc(C)c21 Amb28070271 [0,1,0,1,0,0|2,0,0]=4 6731 B14R2.11635 CCN1CCCc2cccc(F)c21 Amb25663467 [0,1,0,1,0,0|2,0,0]=4 6732 B14R2.11635 CCN1CCCc2cccc(N)c21 Amb5750775 [0,1,0,1,0,0|2,0,0]=4 6733 B14R2.11635 CCN1CCCc2cccc(O)c21 Amb25877624 [0,1,0,1,0,0|2,0,0]=4 6734 B14R2.11635 Cc1cccc2c1C(CF)NCC2 Amb27635507 [0,1,0,1,0,0|2,0,0]=4 6735 B14R2.11635 Cc1cccc2c1C(CN)CNC2 Amb17400578 [0,1,0,1,0,0|2,0,0]=4 6736 B14R2.11635 NCC1CNCc2cccc(Cl)c21 Amb17402172 [0,1,0,1,0,0|2,0,0]=4 6737 B14R2.11635 NCC1CNCc2cccc(F)c21 Amb17400776 [0,1,0,1,0,0|2,0,0]=4 6738 B14R2.11635 Nc1cccc2c1C(CO)NCC2 Amb27601469 [0,1,0,1,0,0|1,0,0]=3 6739 B14R2.11635 O=CC1CCCc2cccc(F)c21 Amb27215582 [0,1,0,1,0,0|0,0,2]=4 6740 B14R2.11635 OCC1CCCc2cccc(Cl)c21 Amb27589011 [0,1,0,1,0,0|0,0,0]=2 6741 B14R2.11635 OCC1NCCc2cccc(I)c21 Amb28066200 [0,1,0,1,0,0|1,0,0]=3 6742 B14R2.11635 OC[C@@H]1NCCc2cccc(Br)c21 Amb27626587 [0,1,0,1,0,0|1,0,0]=3 6743 B14R2.11635 OC[C@@H]1NCCc2cccc(Cl)c21 Amb28061048 [0,1,0,1,0,0|1,0,0]=3 6744 B14R2.43 CCOC1CC1c2ccc(C)cc2 Amb27963470 [0,1,0,1,0,0|2,0,0]=4 6745 B14R2.43 CNCC1CC1c2ccc(Br)cc2 Amb17605474 [0,1,0,1,0,0|2,0,0]=4 6746 B14R2.43 CNCC1CC1c2ccc(C)cc2 Amb17568109 [0,1,0,1,0,0|2,0,0]=4 6747 B14R2.43 CNCC1CC1c2ccc(Cl)cc2 Amb17568111 [0,1,0,1,0,0|2,0,0]=4 6748 B14R2.43 CNCC1CC1c2ccc(F)cc2 Amb17568147 [0,1,0,1,0,0|2,0,0]=4 6749 B14R2.43 Cc1ccc(C2CC2\C=N\O)cc1 Amb32415043 [0,1,0,1,0,0|1,0,1]=4 6750 B14R2.43 Fc1ccc(C2CC2CCCl)cc1 Amb27597049 [0,1,0,1,0,0|1,0,0]=3 6751 B14R2.43 NCCC1CC1c2ccc(F)cc2 Amb27209824 [0,1,0,1,0,0|1,0,0]=3 6752 B14R2.43 O=CCC1CC1c2ccc(O)cc2 Amb27970671 [0,1,0,1,0,0|0,0,2]=4 6753 B14R2.43 OCC[C@H]1C[C@@H]1c2ccc(F)cc2 Amb27486545 [0,1,0,1,0,0|0,0,0]=2 6754 B14R2.43 O\N=C\C1CC1c2ccc(Br)cc2 Amb32415037 [0,1,0,1,0,0|1,0,1]=4 6755 B14R2.43 O\N=C\C1CC1c2ccc(Cl)cc2 Amb32415038 [0,1,0,1,0,0|1,0,1]=4 6756 B14R2.43 O\N=C\C1CC1c2ccc(F)cc2 Amb32415040 [0,1,0,1,0,0|1,0,1]=4 6757 B14R2.68 BrC1CCC(c2ccccc2)CC1 Amb9190949 [0,1,0,1,0,0|1,0,0]=3 6758 B14R2.68 Br[C@H]1CC[C@@H](c2ccccc2)CC1 Amb32679414 [0,1,0,1,0,0|1,0,0]=3 6759 B14R2.68 Brc1ccc(C2=CCCCC2)cc1 Amb6373973 [0,1,0,1,0,0|1,0,1]=4 6760 B14R2.68 Brc1ccc(C2CC=CCO2)cc1 Amb24386961 [0,1,0,1,0,0|0,0,2]=4 6761 B14R2.68 Brc1ccc(C2CCCCC2)cc1 Amb4019804 [0,1,0,1,0,0|1,0,0]=3 6762 B14R2.68 Brc1ccc(C2CCCCC2)cn1 Amb10600545 [0,1,0,1,0,0|2,0,0]=4 6763 B14R2.68 Brc1ccc(C2CCCCC2)nc1 Amb10600819 [0,1,0,1,0,0|2,0,0]=4 6764 B14R2.68 Brc1ccc(C2CCCCN2)cc1 Amb2234960 [0,1,0,1,0,0|1,0,0]=3 6765 B14R2.68 Brc1ccc(C2CCCCN2)cn1 Amb23444862 [0,1,0,1,0,0|2,0,0]=4 6766 B14R2.68 Brc1ccc(C2CCCCN2)nc1 Amb24083302 [0,1,0,1,0,0|2,0,0]=4 6767 B14R2.68 Brc1ccc(C2CCCCO2)cc1 Amb24615866 [0,1,0,1,0,0|0,0,0]=2 6768 B14R2.68 Brc1ccc(C2CCCCO2)cn1 Amb24322632 [0,1,0,1,0,0|1,0,0]=3 6769 B14R2.68 Brc1ccc(C2CCCCO2)nc1 Amb24322609 [0,1,0,1,0,0|1,0,0]=3 6770 B14R2.68 Brc1ccc(C2CCCNC2)cc1 Amb17348342 [0,1,0,1,0,0|2,0,0]=4 6771 B14R2.68 Brc1ccc(C2CCCOC2)cc1 Amb20617116 [0,1,0,1,0,0|2,0,0]=4 6772 B14R2.68 Brc1ccc(C2CCNCC2)cc1 Amb2685456 [0,1,0,1,0,0|2,0,0]=4 6773 B14R2.68 Brc1ccc(C2CCNCC2)cc1 Amb32652010 [0,1,0,1,0,0|2,0,0]=4 6774 B14R2.68 Brc1ccc(C2CCNCC2)cc1 Amb3933579 [0,1,0,1,0,0|2,0,0]=4 6775 B14R2.68 Brc1ccc(C2CCOCC2)cc1 Amb20617114 [0,1,0,1,0,0|2,0,0]=4 6776 B14R2.68 Brc1ccc(C2CNCCN2)cc1 Amb10602493 [0,1,0,1,0,0|2,0,0]=4 6777 B14R2.68 Brc1ccc(C2CNCCN2)cc1 Amb34151261 [0,1,0,1,0,0|2,0,0]=4 6778 B14R2.68 Brc1ccc(C2CNCCO2)cc1 Amb17107269 [0,1,0,1,0,0|1,0,0]=3 6779 B14R2.68 Brc1ccc(C2CNCCO2)cc1 Amb9004284 [0,1,0,1,0,0|1,0,0]=3 6780 B14R2.68 Brc1ccc(C2CNCCO2)cn1 Amb33388086 [0,1,0,1,0,0|2,0,0]=4 6781 B14R2.68 Brc1ccc(C2CNCCO2)nc1 Amb24695237 [0,1,0,1,0,0|2,0,0]=4 6782 B14R2.68 Brc1ccc(C2CNCCS2)cc1 Amb17266221 [0,1,0,1,0,0|1,1,0]=4 6783 B14R2.68 Brc1ccc(C2COCCN2)cc1 Amb17255958 [0,1,0,1,0,0|2,0,0]=4 6784 B14R2.68 Brc1ccc(C2COCCN2)cc1 Amb33551615 [0,1,0,1,0,0|2,0,0]=4 6785 B14R2.68 Brc1ccc(C2COCCO2)cc1 Amb18559422 [0,1,0,1,0,0|1,0,0]=3 6786 B14R2.68 Brc1ccc(C2COCCO2)cn1 Amb24318977 [0,1,0,1,0,0|2,0,0]=4 6787 B14R2.68 Brc1ccc(C2COCCO2)nc1 Amb24318970 [0,1,0,1,0,0|2,0,0]=4 6788 B14R2.68 Brc1ccc(C2CSCCN2)cc1 Amb13881632 [0,1,0,1,0,0|2,0,0]=4 6789 B14R2.68 Brc1ccc(C2NCCCO2)cc1 Amb17349005 [0,1,0,1,0,0|1,0,0]=3 6790 B14R2.68 Brc1ccc(C2NCCCS2)cc1 Amb27808869 [0,1,0,1,0,0|1,1,0]=4 6791 B14R2.68 Brc1ccc(C2OCCCO2)cc1 Amb3941067 [0,1,0,1,0,0|1,0,0]=3 6792 B14R2.68 Brc1ccc(N2CCCCC2)cc1 Amb2723542 [0,1,0,1,0,0|2,0,0]=4 6793 B14R2.68 Brc1ccc([C@@H]2CCCCN2)cc1 Amb27155086 [0,1,0,1,0,0|1,0,0]=3 6794 B14R2.68 Brc1ccc([C@@H]2CCCCN2)nc1 Amb27623308 [0,1,0,1,0,0|2,0,0]=4 6795 B14R2.68 Brc1ccc([C@@H]2CCCNC2)cc1 Amb25927213 [0,1,0,1,0,0|2,0,0]=4 6796 B14R2.68 Brc1ccc([C@@H]2COCCN2)cc1 Amb28144840 [0,1,0,1,0,0|2,0,0]=4 6797 B14R2.68 Brc1ccc([C@H]2CCCCN2)cc1 Amb25306118 [0,1,0,1,0,0|1,0,0]=3 6798 B14R2.68 Brc1ccc([C@H]2CCCNC2)cc1 Amb26953513 [0,1,0,1,0,0|2,0,0]=4 6799 B14R2.68 Brc1ccc([C@H]2CNCCO2)cc1 Amb27448149 [0,1,0,1,0,0|1,0,0]=3 6800 B14R2.68 Brc1cnc(C2CCCCO2)cn1 Amb24322613 [0,1,0,1,0,0|2,0,0]=4 6801 B14R2.68 Brc1cnc(C2CCCCO2)nc1 Amb24322622 [0,1,0,1,0,0|2,0,0]=4 6802 B14R2.68 CC1CCC(c2ccccc2)CC1 Amb27148176 [0,1,0,1,0,0|1,0,0]=3 6803 B14R2.68 CC1CCC(c2ccccc2)CN1 Amb18065574 [0,1,0,1,0,0|2,0,0]=4 6804 B14R2.68 CC1CCC(c2ccccc2)NC1 Amb33546142 [0,1,0,1,0,0|1,0,0]=3 6805 B14R2.68 CC1CCN(c2ccccc2)CC1 Amb24308987 [0,1,0,1,0,0|2,0,0]=4 6806 B14R2.68 CC1CNC(c2ccccc2)CO1 Amb18065683 [0,1,0,1,0,0|2,0,0]=4 6807 B14R2.68 CC1CN[C@H](c2ccccc2)CO1 Amb31291165 [0,1,0,1,0,0|2,0,0]=4 6808 B14R2.68 CC1COC(c2ccccc2)CN1 Amb9028185 [0,1,0,1,0,0|1,0,0]=3 6809 B14R2.68 CC1COC(c2ccccc2)OC1 Amb23437741 [0,1,0,1,0,0|1,0,0]=3 6810 B14R2.68 CN1CCC(c2ccccc2)CC1 Amb24064815 [0,1,0,1,0,0|2,0,0]=4 6811 B14R2.68 C[C@@H]1CN[C@H](c2ccccc2)CO1 Amb27201665 [0,1,0,1,0,0|2,0,0]=4 6812 B14R2.68 C[C@@H]1CN[C@H](c2ccccc2)CO1 Amb30586555 [0,1,0,1,0,0|2,0,0]=4 6813 B14R2.68 C[C@@H]1CO[C@@H](c2ccccc2)CN1 Amb25326706 [0,1,0,1,0,0|1,0,0]=3 6814 B14R2.68 C[C@H]1CN[C@@H](c2ccccc2)CO1 Amb33871616 [0,1,0,1,0,0|2,0,0]=4 6815 B14R2.68 C[C@H]1CO[C@H](c2ccccc2)CN1 Amb27878660 [0,1,0,1,0,0|1,0,0]=3 6816 B14R2.68 Cc1ccc(C2=CCCCC2)cc1 Amb4017533 [0,1,0,1,0,0|1,0,1]=4 6817 B14R2.68 Cc1ccc(C2CCCCC2)cc1 Amb8392293 [0,1,0,1,0,0|1,0,0]=3 6818 B14R2.68 Cc1ccc(C2CCCCN2)cc1 Amb9725088 [0,1,0,1,0,0|1,0,0]=3 6819 B14R2.68 Cc1ccc(C2CCCCN2)cn1 Amb25866392 [0,1,0,1,0,0|2,0,0]=4 6820 B14R2.68 Cc1ccc(C2CCCCN2)nc1 Amb3788251 [0,1,0,1,0,0|2,0,0]=4 6821 B14R2.68 Cc1ccc(C2CCCNC2)cc1 Amb17335078 [0,1,0,1,0,0|2,0,0]=4 6822 B14R2.68 Cc1ccc(C2CCCNC2)cc1 Amb21954349 [0,1,0,1,0,0|2,0,0]=4 6823 B14R2.68 Cc1ccc(C2CCNCC2)cc1 Amb33527396 [0,1,0,1,0,0|2,0,0]=4 6824 B14R2.68 Cc1ccc(C2CCNCC2)cc1 Amb3933587 [0,1,0,1,0,0|2,0,0]=4 6825 B14R2.68 Cc1ccc(C2CC[NH2+]CC2)cc1 Amb22450854 [0,1,0,1,0,0|2,0,0]=4 6826 B14R2.68 Cc1ccc(C2CNCCN2)cc1 Amb13881653 [0,1,0,1,0,0|2,0,0]=4 6827 B14R2.68 Cc1ccc(C2CNCCN2)cc1 Amb34912602 [0,1,0,1,0,0|2,0,0]=4 6828 B14R2.68 Cc1ccc(C2CNCCO2)cc1 Amb10068840 [0,1,0,1,0,0|1,0,0]=3 6829 B14R2.68 Cc1ccc(C2CNCCO2)cc1 Amb34912601 [0,1,0,1,0,0|1,0,0]=3 6830 B14R2.68 Cc1ccc(C2CNCCO2)cc1 Amb5750919 [0,1,0,1,0,0|1,0,0]=3 6831 B14R2.68 Cc1ccc(C2CNCCO2)cn1 Amb33344780 [0,1,0,1,0,0|2,0,0]=4 6832 B14R2.68 Cc1ccc(C2CNCCO2)nc1 Amb20062322 [0,1,0,1,0,0|2,0,0]=4 6833 B14R2.68 Cc1ccc(C2CNCCS2)cc1 Amb17235835 [0,1,0,1,0,0|1,1,0]=4 6834 B14R2.68 Cc1ccc(C2COCCN2)cc1 Amb10068851 [0,1,0,1,0,0|2,0,0]=4 6835 B14R2.68 Cc1ccc(C2COCCN2)cc1 Amb5751002 [0,1,0,1,0,0|2,0,0]=4 6836 B14R2.68 Cc1ccc(C2CSCCN2)cc1 Amb17098082 [0,1,0,1,0,0|2,0,0]=4 6837 B14R2.68 Cc1ccc(C2NCCCN2)cc1 Amb28240951 [0,1,0,1,0,0|2,0,0]=4 6838 B14R2.68 Cc1ccc(C2NCCCO2)cc1 Amb17335178 [0,1,0,1,0,0|1,0,0]=3 6839 B14R2.68 Cc1ccc(C2OCCCO2)cc1 Amb17335229 [0,1,0,1,0,0|1,0,0]=3 6840 B14R2.68 Cc1ccc(C2OCCCS2)cc1 Amb28316369 [0,1,0,1,0,0|1,0,0]=3 6841 B14R2.68 Cc1ccc(C2SCCCS2)cc1 Amb2654382 [0,1,0,1,0,0|1,1,0]=4 6842 B14R2.68 Cc1ccc(N2CCCCC2)cc1 Amb17939002 [0,1,0,1,0,0|2,0,0]=4 6843 B14R2.68 Cc1ccc([C@H]2CCCNC2)cc1 Amb27253010 [0,1,0,1,0,0|2,0,0]=4 6844 B14R2.68 Cc1ccc([C@H]2COCCN2)cc1 Amb26954581 [0,1,0,1,0,0|2,0,0]=4 6845 B14R2.68 Cc1ccc([C@H]2COCCN2)cc1 Amb33872208 [0,1,0,1,0,0|2,0,0]=4 6846 B14R2.68 ClC1CC=C(c2ccccc2)CC1 Amb27401819 [0,1,0,1,0,0|1,0,1]=4 6847 B14R2.68 ClC1CCC(c2ccccc2)CC1 Amb7766839 [0,1,0,1,0,0|1,0,0]=3 6848 B14R2.68 Clc1ccc(B2OCCCO2)cc1 Amb2447057 [0,1,0,1,0,0|2,0,0]=4 6849 B14R2.68 Clc1ccc(C2CCCCC2)cc1 Amb22753242 [0,1,0,1,0,0|1,0,0]=3 6850 B14R2.68 Clc1ccc(C2CCCCN2)cc1 Amb10069010 [0,1,0,1,0,0|1,0,0]=3 6851 B14R2.68 Clc1ccc(C2CCCCN2)cc1 Amb3617892 [0,1,0,1,0,0|1,0,0]=3 6852 B14R2.68 Clc1ccc(C2CCCCN2)cn1 Amb26946689 [0,1,0,1,0,0|2,0,0]=4 6853 B14R2.68 Clc1ccc(C2CCCCN2)nc1 Amb24746597 [0,1,0,1,0,0|2,0,0]=4 6854 B14R2.68 Clc1ccc(C2CCCCO2)nn1 Amb24322626 [0,1,0,1,0,0|2,0,0]=4 6855 B14R2.68 Clc1ccc(C2CCCNC2)cc1 Amb8009559 [0,1,0,1,0,0|2,0,0]=4 6856 B14R2.68 Clc1ccc(C2CCCOC2)cc1 Amb24748389 [0,1,0,1,0,0|2,0,0]=4 6857 B14R2.68 Clc1ccc(C2CCNCC2)cc1 Amb2383174 [0,1,0,1,0,0|2,0,0]=4 6858 B14R2.68 Clc1ccc(C2CCNCC2)cc1 Amb2686403 [0,1,0,1,0,0|2,0,0]=4 6859 B14R2.68 Clc1ccc(C2CCOCC2)cc1 Amb22754659 [0,1,0,1,0,0|2,0,0]=4 6860 B14R2.68 Clc1ccc(C2CNCCN2)cc1 Amb10068868 [0,1,0,1,0,0|2,0,0]=4 6861 B14R2.68 Clc1ccc(C2CNCCN2)cc1 Amb2695643 [0,1,0,1,0,0|2,0,0]=4 6862 B14R2.68 Clc1ccc(C2CNCCO2)cc1 Amb10068838 [0,1,0,1,0,0|1,0,0]=3 6863 B14R2.68 Clc1ccc(C2CNCCO2)cc1 Amb33545807 [0,1,0,1,0,0|1,0,0]=3 6864 B14R2.68 Clc1ccc(C2CNCCO2)cn1 Amb27749827 [0,1,0,1,0,0|2,0,0]=4 6865 B14R2.68 Clc1ccc(C2CNCCO2)nc1 Amb25106842 [0,1,0,1,0,0|2,0,0]=4 6866 B14R2.68 Clc1ccc(C2CNCCS2)cc1 Amb17241630 [0,1,0,1,0,0|1,1,0]=4 6867 B14R2.68 Clc1ccc(C2COCCN2)cc1 Amb10068850 [0,1,0,1,0,0|2,0,0]=4 6868 B14R2.68 Clc1ccc(C2COCCN2)cc1 Amb5751011 [0,1,0,1,0,0|2,0,0]=4 6869 B14R2.68 Clc1ccc(C2CSCCN2)cc1 Amb13881631 [0,1,0,1,0,0|2,0,0]=4 6870 B14R2.68 Clc1ccc(C2NCCCN2)cc1 Amb27463226 [0,1,0,1,0,0|2,0,0]=4 6871 B14R2.68 Clc1ccc(C2NCCCO2)cc1 Amb17337248 [0,1,0,1,0,0|1,0,0]=3 6872 B14R2.68 Clc1ccc(C2OCCCO2)cc1 Amb17337358 [0,1,0,1,0,0|1,0,0]=3 6873 B14R2.68 Clc1ccc(C2SCCCS2)cc1 Amb28142468 [0,1,0,1,0,0|1,1,0]=4 6874 B14R2.68 Clc1ccc(N2CCCCC2)cc1 Amb18269639 [0,1,0,1,0,0|2,0,0]=4 6875 B14R2.68 Clc1ccc([C@@H]2CCCCN2)cc1 Amb27461346 [0,1,0,1,0,0|1,0,0]=3 6876 B14R2.68 Clc1ccc([C@@H]2CCCCN2)cn1 Amb26519869 [0,1,0,1,0,0|2,0,0]=4 6877 B14R2.68 Clc1ccc([C@@H]2CCCCN2)nc1 Amb27640285 [0,1,0,1,0,0|2,0,0]=4 6878 B14R2.68 Clc1ccc([C@@H]2CNCCN2)cc1 Amb27259053 [0,1,0,1,0,0|2,0,0]=4 6879 B14R2.68 Clc1ccc([C@@H]2CNCCN2)cc1 Amb33620814 [0,1,0,1,0,0|2,0,0]=4 6880 B14R2.68 Clc1ccc([C@@H]2CNCCO2)cc1 Amb25026947 [0,1,0,1,0,0|1,0,0]=3 6881 B14R2.68 Clc1ccc([C@@H]2CNCCO2)cc1 Amb32661543 [0,1,0,1,0,0|1,0,0]=3 6882 B14R2.68 Clc1ccc([C@@H]2COCCN2)cc1 Amb27759927 [0,1,0,1,0,0|2,0,0]=4 6883 B14R2.68 Clc1ccc([C@H]2CCCCN2)cn1 Amb27447205 [0,1,0,1,0,0|2,0,0]=4 6884 B14R2.68 Clc1ccc([C@H]2CCCNC2)cc1 Amb27640134 [0,1,0,1,0,0|2,0,0]=4 6885 B14R2.68 Clc1ccc([C@H]2CNCCN2)cc1 Amb24761297 [0,1,0,1,0,0|2,0,0]=4 6886 B14R2.68 Clc1ccc([C@H]2CNCCN2)cc1 Amb35746989 [0,1,0,1,0,0|2,0,0]=4 6887 B14R2.68 Clc1ccc([C@H]2CNCCO2)cc1 Amb24366807 [0,1,0,1,0,0|1,0,0]=3 6888 B14R2.68 Clc1ccc([C@H]2COCCN2)cc1 Amb27168174 [0,1,0,1,0,0|2,0,0]=4 6889 B14R2.68 Clc1ncc(C2CCCCO2)cn1 Amb24322624 [0,1,0,1,0,0|2,0,0]=4 6890 B14R2.68 Fc1ccc(C2=CCCCC2)cc1 Amb25143574 [0,1,0,1,0,0|1,0,1]=4 6891 B14R2.68 Fc1ccc(C2=NCCCC2)cc1 Amb23578439 [0,1,0,1,0,0|1,0,1]=4 6892 B14R2.68 Fc1ccc(C2CCCCC2)cc1 Amb22549324 [0,1,0,1,0,0|1,0,0]=3 6893 B14R2.68 Fc1ccc(C2CCCCN2)cc1 Amb10808382 [0,1,0,1,0,0|1,0,0]=3 6894 B14R2.68 Fc1ccc(C2CCCCN2)cc1 Amb17659190 [0,1,0,1,0,0|1,0,0]=3 6895 B14R2.68 Fc1ccc(C2CCCCN2)cn1 Amb26064019 [0,1,0,1,0,0|2,0,0]=4 6896 B14R2.68 Fc1ccc(C2CCCCN2)nc1 Amb25368390 [0,1,0,1,0,0|2,0,0]=4 6897 B14R2.68 Fc1ccc(C2CCCNC2)cc1 Amb6806619 [0,1,0,1,0,0|2,0,0]=4 6898 B14R2.68 Fc1ccc(C2CCNCC2)cc1 Amb2383177 [0,1,0,1,0,0|2,0,0]=4 6899 B14R2.68 Fc1ccc(C2CCNCC2)cc1 Amb2688383 [0,1,0,1,0,0|2,0,0]=4 6900 B14R2.68 Fc1ccc(C2CCOCC2)cc1 Amb32655105 [0,1,0,1,0,0|2,0,0]=4 6901 B14R2.68 Fc1ccc(C2CNCCN2)cc1 Amb22396492 [0,1,0,1,0,0|2,0,0]=4 6902 B14R2.68 Fc1ccc(C2CNCCN2)cc1 Amb2694370 [0,1,0,1,0,0|2,0,0]=4 6903 B14R2.68 Fc1ccc(C2CNCCO2)cc1 Amb10808447 [0,1,0,1,0,0|1,0,0]=3 6904 B14R2.68 Fc1ccc(C2CNCCO2)cc1 Amb34912556 [0,1,0,1,0,0|1,0,0]=3 6905 B14R2.68 Fc1ccc(C2CNCCO2)cc1 Amb6892363 [0,1,0,1,0,0|1,0,0]=3 6906 B14R2.68 Fc1ccc(C2CNCCO2)cn1 Amb33426580 [0,1,0,1,0,0|2,0,0]=4 6907 B14R2.68 Fc1ccc(C2CNCCO2)nc1 Amb26860099 [0,1,0,1,0,0|2,0,0]=4 6908 B14R2.68 Fc1ccc(C2CNCCS2)cc1 Amb10808372 [0,1,0,1,0,0|1,1,0]=4 6909 B14R2.68 Fc1ccc(C2CNCCS2)cc1 Amb3940990 [0,1,0,1,0,0|1,1,0]=4 6910 B14R2.68 Fc1ccc(C2COCCN2)cc1 Amb10808452 [0,1,0,1,0,0|2,0,0]=4 6911 B14R2.68 Fc1ccc(C2COCCN2)cc1 Amb5751004 [0,1,0,1,0,0|2,0,0]=4 6912 B14R2.68 Fc1ccc(C2CSCCN2)cc1 Amb3938890 [0,1,0,1,0,0|2,0,0]=4 6913 B14R2.68 Fc1ccc(C2NCCCO2)cc1 Amb17335482 [0,1,0,1,0,0|1,0,0]=3 6914 B14R2.68 Fc1ccc(C2NCCCS2)cc1 Amb27397355 [0,1,0,1,0,0|1,1,0]=4 6915 B14R2.68 Fc1ccc(C2OCCCO2)cc1 Amb17335530 [0,1,0,1,0,0|1,0,0]=3 6916 B14R2.68 Fc1ccc(C2OCCCS2)cc1 Amb28456635 [0,1,0,1,0,0|1,0,0]=3 6917 B14R2.68 Fc1ccc(C2SCCCS2)cc1 Amb2667785 [0,1,0,1,0,0|1,1,0]=4 6918 B14R2.68 Fc1ccc(N2CCCCC2)cc1 Amb18931066 [0,1,0,1,0,0|2,0,0]=4 6919 B14R2.68 Fc1ccc([C@@H]2CCCCN2)cc1 Amb27786313 [0,1,0,1,0,0|1,0,0]=3 6920 B14R2.68 Fc1ccc([C@@H]2CCCCN2)cn1 Amb28043067 [0,1,0,1,0,0|2,0,0]=4 6921 B14R2.68 Fc1ccc([C@@H]2CCCCN2)nc1 Amb27202723 [0,1,0,1,0,0|2,0,0]=4 6922 B14R2.68 Fc1ccc([C@@H]2CCCNC2)cc1 Amb26899569 [0,1,0,1,0,0|2,0,0]=4 6923 B14R2.68 Fc1ccc([C@@H]2CNCCN2)cc1 Amb26017279 [0,1,0,1,0,0|2,0,0]=4 6924 B14R2.68 Fc1ccc([C@@H]2COCCN2)cc1 Amb30874104 [0,1,0,1,0,0|2,0,0]=4 6925 B14R2.68 Fc1ccc([C@@H]2CSCCN2)cc1 Amb27815411 [0,1,0,1,0,0|2,0,0]=4 6926 B14R2.68 Fc1ccc([C@H]2CCCCN2)cc1 Amb27259141 [0,1,0,1,0,0|1,0,0]=3 6927 B14R2.68 Fc1ccc([C@H]2CCCCN2)nc1 Amb27187164 [0,1,0,1,0,0|2,0,0]=4 6928 B14R2.68 Fc1ccc([C@H]2CCCNC2)cc1 Amb25227685 [0,1,0,1,0,0|2,0,0]=4 6929 B14R2.68 Fc1ccc([C@H]2CNCCO2)cc1 Amb28245230 [0,1,0,1,0,0|1,0,0]=3 6930 B14R2.68 Fc1ccc([C@H]2COCCN2)cc1 Amb24744390 [0,1,0,1,0,0|2,0,0]=4 6931 B14R2.68 Fc1ccc([C@H]2COCCN2)cc1 Amb33872286 [0,1,0,1,0,0|2,0,0]=4 6932 B14R2.68 IC1COC(c2ccccc2)OC1 Amb4292116 [0,1,0,1,0,0|1,0,0]=3 6933 B14R2.68 Ic1ccc(C2CCCCC2)cc1 Amb25995299 [0,1,0,1,0,0|1,0,0]=3 6934 B14R2.68 Ic1ccc(C2CCCCN2)cc1 Amb2235010 [0,1,0,1,0,0|1,0,0]=3 6935 B14R2.68 Ic1ccc(C2CCCCN2)cn1 Amb27400658 [0,1,0,1,0,0|2,0,0]=4 6936 B14R2.68 Ic1ccc(C2CCCCN2)nc1 Amb27608334 [0,1,0,1,0,0|2,0,0]=4 6937 B14R2.68 Ic1ccc(C2CCNCC2)cc1 Amb24321153 [0,1,0,1,0,0|2,0,0]=4 6938 B14R2.68 Ic1ccc(C2CCOCC2)cc1 Amb24321193 [0,1,0,1,0,0|2,0,0]=4 6939 B14R2.68 Ic1ccc(C2CNCCN2)cc1 Amb26017200 [0,1,0,1,0,0|2,0,0]=4 6940 B14R2.68 Ic1ccc(C2COCCN2)cc1 Amb27608503 [0,1,0,1,0,0|2,0,0]=4 6941 B14R2.68 Ic1ccc(N2CCCCC2)cc1 Amb24409774 [0,1,0,1,0,0|2,0,0]=4 6942 B14R2.68 Ic1ccc([C@@H]2CCCCN2)cn1 Amb27608524 [0,1,0,1,0,0|2,0,0]=4 6943 B14R2.68 Ic1ccc([C@@H]2CCCCN2)nc1 Amb27608362 [0,1,0,1,0,0|2,0,0]=4 6944 B14R2.68 Ic1ccc([C@@H]2CNCCN2)cc1 Amb27181210 [0,1,0,1,0,0|2,0,0]=4 6945 B14R2.68 Ic1ccc([C@H]2CCCCN2)cn1 Amb27208988 [0,1,0,1,0,0|2,0,0]=4 6946 B14R2.68 Ic1ccc([C@H]2COCCN2)cc1 Amb28123607 [0,1,0,1,0,0|2,0,0]=4 6947 B14R2.68 NC1CC=C(c2ccccc2)CC1 Amb28985720 [0,1,0,1,0,0|1,0,1]=4 6948 B14R2.68 NC1CCC(c2ccccc2)CC1 Amb1120391 [0,1,0,1,0,0|1,0,0]=3 6949 B14R2.68 NC1CCC(c2ccccc2)NC1 Amb33275361 [0,1,0,1,0,0|1,0,0]=3 6950 B14R2.68 NC1CCC(c2ccccn2)CC1 Amb18065638 [0,1,0,1,0,0|2,0,0]=4 6951 B14R2.68 NC1CCC(c2cccnc2)CC1 Amb18065642 [0,1,0,1,0,0|2,0,0]=4 6952 B14R2.68 NC1CCC(c2ccncc2)CC1 Amb18065645 [0,1,0,1,0,0|2,0,0]=4 6953 B14R2.68 NC1CCN(c2ccccc2)CC1 Amb21858046 [0,1,0,1,0,0|2,0,0]=4 6954 B14R2.68 NC1CCN(c2ccccc2)CC1 Amb2684037 [0,1,0,1,0,0|2,0,0]=4 6955 B14R2.68 NC1CCN(c2ccccc2)CC1 Amb8503320 [0,1,0,1,0,0|2,0,0]=4 6956 B14R2.68 NC1CCP(c2ccccc2)CC1 Amb28145856 [0,1,0,1,0,0|2,0,0]=4 6957 B14R2.68 NC1COC(c2ccccc2)OC1 Amb28239631 [0,1,0,1,0,0|1,0,0]=3 6958 B14R2.68 NC1CSC(c2ccccc2)SC1 Amb27257899 [0,1,0,1,0,0|1,1,0]=4 6959 B14R2.68 N[C@H]1CC[C@@H](c2ccccc2)CC1 Amb27444642 [0,1,0,1,0,0|1,0,0]=3 6960 B14R2.68 N[C@H]1CC[C@H](c2ccccc2)CC1 Amb27415602 [0,1,0,1,0,0|1,0,0]=3 6961 B14R2.68 N[C@H]1CO[C@@H](c2ccccc2)OC1 Amb27401918 [0,1,0,1,0,0|1,0,0]=3 6962 B14R2.68 N[C@H]1CO[C@@H](c2ccncc2)OC1 Amb28186452 [0,1,0,1,0,0|2,0,0]=4 6963 B14R2.68 N[C@H]1CO[C@H](c2ccccc2)OC1 Amb27657822 [0,1,0,1,0,0|1,0,0]=3 6964 B14R2.68 N[C@H]1CO[C@H](c2ccccn2)OC1 Amb27393580 [0,1,0,1,0,0|2,0,0]=4 6965 B14R2.68 Nc1ccc(C2=CCCCC2)cc1 Amb17107095 [0,1,0,1,0,0|1,0,1]=4 6966 B14R2.68 Nc1ccc(C2C=CCCC2)cc1 Amb27955173 [0,1,0,1,0,0|1,0,1]=4 6967 B14R2.68 Nc1ccc(C2CCCCC2)cc1 Amb1131020 [0,1,0,1,0,0|1,0,0]=3 6968 B14R2.68 Nc1ccc(C2CCCCC2)cc1 Amb8505097 [0,1,0,1,0,0|1,0,0]=3 6969 B14R2.68 Nc1ccc(C2CCCCC2)cn1 Amb10600546 [0,1,0,1,0,0|2,0,0]=4 6970 B14R2.68 Nc1ccc(C2CCCCC2)nc1 Amb10600820 [0,1,0,1,0,0|2,0,0]=4 6971 B14R2.68 Nc1ccc(C2CCCCN2)cc1 Amb28316372 [0,1,0,1,0,0|1,0,0]=3 6972 B14R2.68 Nc1ccc(C2CCCCN2)cn1 Amb23445291 [0,1,0,1,0,0|2,0,0]=4 6973 B14R2.68 Nc1ccc(C2CCCCN2)nc1 Amb27627394 [0,1,0,1,0,0|2,0,0]=4 6974 B14R2.68 Nc1ccc(C2CCCCO2)cn1 Amb24322633 [0,1,0,1,0,0|1,0,0]=3 6975 B14R2.68 Nc1ccc(C2CCCCO2)nn1 Amb24322627 [0,1,0,1,0,0|2,0,0]=4 6976 B14R2.68 Nc1ccc(C2CCCNC2)cc1 Amb20241527 [0,1,0,1,0,0|2,0,0]=4 6977 B14R2.68 Nc1ccc(C2CCCNC2)cc1 Amb22749492 [0,1,0,1,0,0|2,0,0]=4 6978 B14R2.68 Nc1ccc(C2CCCOC2)cc1 Amb20617117 [0,1,0,1,0,0|2,0,0]=4 6979 B14R2.68 Nc1ccc(C2CCNCC2)cc1 Amb13888401 [0,1,0,1,0,0|2,0,0]=4 6980 B14R2.68 Nc1ccc(C2CCNCC2)cc1 Amb13888482 [0,1,0,1,0,0|2,0,0]=4 6981 B14R2.68 Nc1ccc(C2CCNCC2)cc1 Amb2699990 [0,1,0,1,0,0|2,0,0]=4 6982 B14R2.68 Nc1ccc(C2CCOCC2)cc1 Amb8009461 [0,1,0,1,0,0|2,0,0]=4 6983 B14R2.68 Nc1ccc(C2CCSCC2)cc1 Amb27415671 [0,1,0,1,0,0|2,0,0]=4 6984 B14R2.68 Nc1ccc(C2CNCCO2)cc1 Amb33550039 [0,1,0,1,0,0|1,0,0]=3 6985 B14R2.68 Nc1ccc(C2CNCCO2)cn1 Amb28208445 [0,1,0,1,0,0|2,0,0]=4 6986 B14R2.68 Nc1ccc(C2COCCO2)cc1 Amb18061841 [0,1,0,1,0,0|1,0,0]=3 6987 B14R2.68 Nc1ccc(C2COCCO2)nc1 Amb24318971 [0,1,0,1,0,0|2,0,0]=4 6988 B14R2.68 Nc1ccc(C2OCCCO2)cc1 Amb16230378 [0,1,0,1,0,0|1,0,0]=3 6989 B14R2.68 Nc1ccc(N2CCCCC2)cc1 Amb1153076 [0,1,0,1,0,0|2,0,0]=4 6990 B14R2.68 Nc1ccc(N2CCCCC2)cc1 Amb1776929 [0,1,0,1,0,0|2,0,0]=4 6991 B14R2.68 Nc1ccc(N2CCCCC2)cc1 Amb33473706 [0,1,0,1,0,0|2,0,0]=4 6992 B14R2.68 Nc1ccc([C@@H]2CCCCN2)cc1 Amb27413501 [0,1,0,1,0,0|1,0,0]=3 6993 B14R2.68 Nc1ccc([C@@H]2CCCCN2)cn1 Amb27810770 [0,1,0,1,0,0|2,0,0]=4 6994 B14R2.68 Nc1ccc([C@@H]2CCCNC2)cc1 Amb27779147 [0,1,0,1,0,0|2,0,0]=4 6995 B14R2.68 Nc1ccc([C@@H]2CNCCO2)cn1 Amb28129269 [0,1,0,1,0,0|2,0,0]=4 6996 B14R2.68 Nc1ccc([C@@H]2COCCN2)cc1 Amb27881759 [0,1,0,1,0,0|2,0,0]=4 6997 B14R2.68 Nc1ccc([C@H]2CCCCN2)cc1 Amb28316303 [0,1,0,1,0,0|1,0,0]=3 6998 B14R2.68 Nc1ccc([C@H]2CCCCN2)nc1 Amb27961488 [0,1,0,1,0,0|2,0,0]=4 6999 B14R2.68 Nc1ccc([C@H]2CCCNC2)cc1 Amb26498607 [0,1,0,1,0,0|2,0,0]=4 7000 B14R2.68 Nc1ccc([C@H]2COCCN2)cc1 Amb27814977 [0,1,0,1,0,0|2,0,0]=4 7001 B14R2.68 Nc1cnc(C2CCCCO2)cn1 Amb24322614 [0,1,0,1,0,0|2,0,0]=4 7002 B14R2.68 Nc1cnc(C2CCCCO2)nc1 Amb24322623 [0,1,0,1,0,0|2,0,0]=4 7003 B14R2.68 Nc1ncc(C2CCCCO2)cn1 Amb24322625 [0,1,0,1,0,0|2,0,0]=4 7004 B14R2.68 O=C1CCC(c2ccccc2)CC1 Amb1208394 [0,1,0,1,0,0|1,0,1]=4 7005 B14R2.68 O=C1COC(c2ccccc2)CN1 Amb18224547 [0,1,0,1,0,0|1,0,1]=4 7006 B14R2.68 O=C1COC(c2ccccc2)OC1 Amb27668915 [0,1,0,1,0,0|1,0,1]=4 7007 B14R2.68 O=C1CO[C@@H](c2ccccc2)CN1 Amb28077004 [0,1,0,1,0,0|1,0,1]=4 7008 B14R2.68 OC1C=CC(c2ccccc2)OC1 Amb27405175 [0,1,0,1,0,0|0,0,2]=4 7009 B14R2.68 OC1CCC(c2ccccc2)CC1 Amb1786614 [0,1,0,1,0,0|1,0,0]=3 7010 B14R2.68 OC1CCC(c2ccccc2)OC1 Amb27662323 [0,1,0,1,0,0|0,0,0]=2 7011 B14R2.68 OC1CCN(c2ccccc2)CC1 Amb10070983 [0,1,0,1,0,0|2,0,0]=4 7012 B14R2.68 OC1CNC(c2ccccc2)NC1 Amb27444638 [0,1,0,1,0,0|2,0,0]=4 7013 B14R2.68 OC1COB(c2ccccc2)OC1 Amb28321621 [0,1,0,1,0,0|2,0,0]=4 7014 B14R2.68 OC1COC(c2ccccc2)OC1 Amb4292115 [0,1,0,1,0,0|1,0,0]=3 7015 B14R2.68 O[C@@H]1C=C[C@@H](c2ccccc2)OC1 Amb27218532 [0,1,0,1,0,0|0,0,2]=4 7016 B14R2.68 O[C@H]1CC[C@H](c2ccccc2)CC1 Amb9787013 [0,1,0,1,0,0|1,0,0]=3 7017 B14R2.68 O[C@H]1CO[C@@H](c2ccccc2)OC1 Amb4605858 [0,1,0,1,0,0|1,0,0]=3 7018 B14R2.68 Oc1ccc(B2OCCCO2)cc1 Amb25756800 [0,1,0,1,0,0|2,0,0]=4 7019 B14R2.68 Oc1ccc(C2=NCCCO2)cc1 Amb27402228 [0,1,0,1,0,0|1,0,1]=4 7020 B14R2.68 Oc1ccc(C2CCCCC2)cc1 Amb2222544 [0,1,0,1,0,0|1,0,0]=3 7021 B14R2.68 Oc1ccc(C2CCCCC2)cn1 Amb10600547 [0,1,0,1,0,0|2,0,0]=4 7022 B14R2.68 Oc1ccc(C2CCCCC2)nc1 Amb10600821 [0,1,0,1,0,0|2,0,0]=4 7023 B14R2.68 Oc1ccc(C2CCCCN2)cc1 Amb28316374 [0,1,0,1,0,0|1,0,0]=3 7024 B14R2.68 Oc1ccc(C2CCCCN2)cc1 Amb33484299 [0,1,0,1,0,0|1,0,0]=3 7025 B14R2.68 Oc1ccc(C2CCCCN2)cn1 Amb23445230 [0,1,0,1,0,0|2,0,0]=4 7026 B14R2.68 Oc1ccc(C2CCCNC2)cc1 Amb18062870 [0,1,0,1,0,0|2,0,0]=4 7027 B14R2.68 Oc1ccc(C2CCCNC2)cc1 Amb33484130 [0,1,0,1,0,0|2,0,0]=4 7028 B14R2.68 Oc1ccc(C2CCCOC2)cc1 Amb20617118 [0,1,0,1,0,0|2,0,0]=4 7029 B14R2.68 Oc1ccc(C2CCNCC2)cc1 Amb30869547 [0,1,0,1,0,0|2,0,0]=4 7030 B14R2.68 Oc1ccc(C2CCNCC2)cc1 Amb514416 [0,1,0,1,0,0|2,0,0]=4 7031 B14R2.68 Oc1ccc(C2CCNCC2)cc1 Amb6599017 [0,1,0,1,0,0|2,0,0]=4 7032 B14R2.68 Oc1ccc(C2CCOCC2)cc1 Amb20617115 [0,1,0,1,0,0|2,0,0]=4 7033 B14R2.68 Oc1ccc(C2CNCCN2)cc1 Amb10982480 [0,1,0,1,0,0|2,0,0]=4 7034 B14R2.68 Oc1ccc(C2CNCCN2)cc1 Amb30283449 [0,1,0,1,0,0|2,0,0]=4 7035 B14R2.68 Oc1ccc(C2CNCCO2)cc1 Amb17063311 [0,1,0,1,0,0|1,0,0]=3 7036 B14R2.68 Oc1ccc(C2COCCN2)cc1 Amb24578763 [0,1,0,1,0,0|2,0,0]=4 7037 B14R2.68 Oc1ccc(C2NCCCO2)cc1 Amb17335295 [0,1,0,1,0,0|1,0,0]=3 7038 B14R2.68 Oc1ccc(C2NCCCS2)cc1 Amb27834661 [0,1,0,1,0,0|1,1,0]=4 7039 B14R2.68 Oc1ccc(C2OCCCO2)cc1 Amb6352599 [0,1,0,1,0,0|1,0,0]=3 7040 B14R2.68 Oc1ccc(C2SCCCS2)cc1 Amb2719888 [0,1,0,1,0,0|1,1,0]=4 7041 B14R2.68 Oc1ccc(N2CCCCC2)cc1 Amb18127982 [0,1,0,1,0,0|2,0,0]=4 7042 B14R2.68 Oc1ccc([C@@H]2CCCCN2)cc1 Amb28314178 [0,1,0,1,0,0|1,0,0]=3 7043 B14R2.68 Oc1ccc([C@@H]2CCCNC2)cc1 Amb27797411 [0,1,0,1,0,0|2,0,0]=4 7044 B14R2.68 Oc1ccc([C@H]2CCCNC2)cc1 Amb27263618 [0,1,0,1,0,0|2,0,0]=4 7045 B14R2.68 Oc1ccc([C@H]2CNCCN2)cc1 Amb27881654 [0,1,0,1,0,0|2,0,0]=4 7046 B14R2.68 Oc1ccc([C@H]2CNCCO2)cc1 Amb27400283 [0,1,0,1,0,0|1,0,0]=3 7047 B14R2.68 SC1CCC(c2ccccc2)CC1 Amb7784767 [0,1,0,1,0,0|1,0,0]=3 7048 B14R2.68 SC1CCN(c2ccccc2)CC1 Amb25683561 [0,1,0,1,0,0|2,0,0]=4 7049 B14R2.68 Sc1ccc(C2CCCCC2)cc1 Amb7773592 [0,1,0,1,0,0|1,0,0]=3 7050 B14R2.68 Sc1ccc(C2CCCCN2)cc1 Amb27164282 [0,1,0,1,0,0|1,0,0]=3 7051 B14R2.68 Sc1ccc(C2COCCN2)cc1 Amb27828740 [0,1,0,1,0,0|2,0,0]=4 7052 B14R2.68 Sc1ccc([C@@H]2CCCCN2)cn1 Amb28243227 [0,1,0,1,0,0|2,0,0]=4 7053 B14R2.72 Brc1ccc(CC2=CCCC2)cc1 Amb35605490 [0,1,0,1,0,0|1,0,1]=4 7054 B14R2.72 Brc1ccc(CC2CCCN2)cc1 Amb31197140 [0,1,0,1,0,0|1,0,0]=3 7055 B14R2.72 Brc1ccc(CC2CCCN2)cc1 Amb3790656 [0,1,0,1,0,0|1,0,0]=3 7056 B14R2.72 Brc1ccc(CC2CCCN2)cn1 Amb33387720 [0,1,0,1,0,0|2,0,0]=4 7057 B14R2.72 Brc1ccc(CC2CCCN2)nc1 Amb25330496 [0,1,0,1,0,0|2,0,0]=4 7058 B14R2.72 Brc1ccc(CC2CCNC2)cc1 Amb17472800 [0,1,0,1,0,0|2,0,0]=4 7059 B14R2.72 Brc1ccc(CC2CCNC2)cc1 Amb28556023 [0,1,0,1,0,0|2,0,0]=4 7060 B14R2.72 Brc1ccc(CC2OCCO2)cc1 Amb6306162 [0,1,0,1,0,0|1,0,0]=3 7061 B14R2.72 Brc1ccc(CN2CCCC2)cc1 Amb22588084 [0,1,0,1,0,0|2,0,0]=4 7062 B14R2.72 Brc1ccc(CN2CCCC2)cc1 Amb2592373 [0,1,0,1,0,0|2,0,0]=4 7063 B14R2.72 Brc1ccc(CN2CCCO2)nc1 Amb27973582 [0,1,0,1,0,0|2,0,0]=4 7064 B14R2.72 Brc1ccc(C[C@@H]2CCCN2)cc1 Amb25073495 [0,1,0,1,0,0|1,0,0]=3 7065 B14R2.72 Brc1ccc(C[C@H]2CCCN2)cc1 Amb27406964 [0,1,0,1,0,0|1,0,0]=3 7066 B14R2.72 Brc1ccc(NC2CCCC2)cc1 Amb6696479 [0,1,0,1,0,0|2,0,0]=4 7067 B14R2.72 Brc1ccc(OC2CCCC2)cc1 Amb6665067 [0,1,0,1,0,0|2,0,0]=4 7068 B14R2.72 Brc1ccc(SC2CCCC2)cc1 Amb18246474 [0,1,0,1,0,0|2,0,0]=4 7069 B14R2.72 Cc1ccc(CC2CCCN2)cc1 Amb2234679 [0,1,0,1,0,0|1,0,0]=3 7070 B14R2.72 Cc1ccc(CC2CCCN2)cn1 Amb25997094 [0,1,0,1,0,0|2,0,0]=4 7071 B14R2.72 Cc1ccc(CC2CCCN2)nc1 Amb28313222 [0,1,0,1,0,0|2,0,0]=4 7072 B14R2.72 Cc1ccc(CC2CCNC2)cc1 Amb10068881 [0,1,0,1,0,0|2,0,0]=4 7073 B14R2.72 Cc1ccc(CC2CCNC2)cc1 Amb17470530 [0,1,0,1,0,0|2,0,0]=4 7074 B14R2.72 Cc1ccc(CN2CCCC2)cc1 Amb1830542 [0,1,0,1,0,0|2,0,0]=4 7075 B14R2.72 Cc1ccc(C[C@@H]2CCCN2)cc1 Amb27156494 [0,1,0,1,0,0|1,0,0]=3 7076 B14R2.72 Cc1ccc(C[C@H]2CCCN2)cc1 Amb24355310 [0,1,0,1,0,0|1,0,0]=3 7077 B14R2.72 Cc1ccc(OC2CCCC2)cc1 Amb28243669 [0,1,0,1,0,0|2,0,0]=4 7078 B14R2.72 Clc1ccc(CC2=CCCC2)cc1 Amb27653840 [0,1,0,1,0,0|1,0,1]=4 7079 B14R2.72 Clc1ccc(CC2CCCN2)cc1 Amb9730523 [0,1,0,1,0,0|1,0,0]=3 7080 B14R2.72 Clc1ccc(CC2CCCN2)cn1 Amb33261563 [0,1,0,1,0,0|2,0,0]=4 7081 B14R2.72 Clc1ccc(CC2CCCN2)nc1 Amb33052749 [0,1,0,1,0,0|2,0,0]=4 7082 B14R2.72 Clc1ccc(CC2CCNC2)cc1 Amb10068892 [0,1,0,1,0,0|2,0,0]=4 7083 B14R2.72 Clc1ccc(CC2CCNC2)cc1 Amb17470928 [0,1,0,1,0,0|2,0,0]=4 7084 B14R2.72 Clc1ccc(CN2CCCC2)cc1 Amb1814734 [0,1,0,1,0,0|2,0,0]=4 7085 B14R2.72 Clc1ccc(CN2CCCO2)cn1 Amb28183813 [0,1,0,1,0,0|2,0,0]=4 7086 B14R2.72 Clc1ccc(C[C@@H]2CCCN2)cc1 Amb27849881 [0,1,0,1,0,0|1,0,0]=3 7087 B14R2.72 Clc1ccc(NC2CCCC2)cc1 Amb6695920 [0,1,0,1,0,0|2,0,0]=4 7088 B14R2.72 Clc1ccc(NC2CCCO2)cc1 Amb27590267 [0,1,0,1,0,0|1,0,0]=3 7089 B14R2.72 Clc1ccc(SC2CCCC2)cc1 Amb27771136 [0,1,0,1,0,0|2,0,0]=4 7090 B14R2.72 Clc1ccc(SC2CCCO2)nc1 Amb27982746 [0,1,0,1,0,0|2,0,0]=4 7091 B14R2.72 Fc1ccc(CC2CCCN2)cc1 Amb20623794 [0,1,0,1,0,0|1,0,0]=3 7092 B14R2.72 Fc1ccc(CC2CCCN2)cc1 Amb2235502 [0,1,0,1,0,0|1,0,0]=3 7093 B14R2.72 Fc1ccc(CC2CCCN2)cn1 Amb33426569 [0,1,0,1,0,0|2,0,0]=4 7094 B14R2.72 Fc1ccc(CC2CCCN2)nc1 Amb33380769 [0,1,0,1,0,0|2,0,0]=4 7095 B14R2.72 Fc1ccc(CC2CCNC2)cc1 Amb10808476 [0,1,0,1,0,0|2,0,0]=4 7096 B14R2.72 Fc1ccc(CC2CCNC2)cc1 Amb8009646 [0,1,0,1,0,0|2,0,0]=4 7097 B14R2.72 Fc1ccc(CN2CCCC2)cc1 Amb10671441 [0,1,0,1,0,0|2,0,0]=4 7098 B14R2.72 Fc1ccc(CN2CCCO2)cc1 Amb27977474 [0,1,0,1,0,0|1,0,0]=3 7099 B14R2.72 Fc1ccc(C[C@@H]2CCCN2)cc1 Amb27393038 [0,1,0,1,0,0|1,0,0]=3 7100 B14R2.72 Fc1ccc(C[C@H]2CCCN2)cc1 Amb27486203 [0,1,0,1,0,0|1,0,0]=3 7101 B14R2.72 Fc1ccc(NC2CCCC2)cc1 Amb6696711 [0,1,0,1,0,0|2,0,0]=4 7102 B14R2.72 Fc1ccc(SC2CCCC2)cc1 Amb27804572 [0,1,0,1,0,0|2,0,0]=4 7103 B14R2.72 Fc1ccc(SC2CCCO2)cc1 Amb28189966 [0,1,0,1,0,0|1,0,0]=3 7104 B14R2.72 Ic1ccc(CC2CCNC2)cc1 Amb27230048 [0,1,0,1,0,0|2,0,0]=4 7105 B14R2.72 Ic1ccc(CC2CCNC2)cc1 Amb32667119 [0,1,0,1,0,0|2,0,0]=4 7106 B14R2.72 Ic1ccc(CN2CCCN2)cc1 Amb27883103 [0,1,0,1,0,0|2,0,0]=4 7107 B14R2.72 Ic1ccc(OC2CCCC2)cc1 Amb27659188 [0,1,0,1,0,0|2,0,0]=4 7108 B14R2.72 Nc1ccc(CC2CCCC2)cc1 Amb18563266 [0,1,0,1,0,0|1,0,0]=3 7109 B14R2.72 Nc1ccc(CC2CCCN2)cc1 Amb18064900 [0,1,0,1,0,0|1,0,0]=3 7110 B14R2.72 Nc1ccc(CC2CCCO2)cc1 Amb18195871 [0,1,0,1,0,0|0,0,0]=2 7111 B14R2.72 Nc1ccc(CN2CCCC2)cc1 Amb1101746 [0,1,0,1,0,0|2,0,0]=4 7112 B14R2.72 Nc1ccc(CN2CCCC2)cc1 Amb1214648 [0,1,0,1,0,0|2,0,0]=4 7113 B14R2.72 Nc1ccc(CN2CCCC2)cc1 Amb2099681 [0,1,0,1,0,0|2,0,0]=4 7114 B14R2.72 Nc1ccc(CN2CCCO2)cc1 Amb27753825 [0,1,0,1,0,0|1,0,0]=3 7115 B14R2.72 Nc1ccc(CN2CCCO2)nc1 Amb35588954 [0,1,0,1,0,0|2,0,0]=4 7116 B14R2.72 Nc1ccc(NC2CCCC2)cc1 Amb9205227 [0,1,0,1,0,0|2,0,0]=4 7117 B14R2.72 Nc1ccc(OC2CCCC2)cc1 Amb1137608 [0,1,0,1,0,0|2,0,0]=4 7118 B14R2.72 Nc1ccc(OC2CCCC2)cc1 Amb6892412 [0,1,0,1,0,0|2,0,0]=4 7119 B14R2.72 Nc1ccc(SC2CCCC2)cc1 Amb20668521 [0,1,0,1,0,0|2,0,0]=4 7120 B14R2.72 Nc1ccc(SC2CCCC2)cc1 Amb6892758 [0,1,0,1,0,0|2,0,0]=4 7121 B14R2.72 O=C1C=CN(CC2CCCN2)C=C1 Amb18287735 [0,1,0,1,0,0|2,0,0]=4 7122 B14R2.72 O=C1C=CN(C[C@@H]2CCCN2)C=C1 Amb28397217 [0,1,0,1,0,0|2,0,0]=4 7123 B14R2.72 O=C1C=CN(C[C@H]2CCCN2)C=C1 Amb27657427 [0,1,0,1,0,0|2,0,0]=4 7124 B14R2.72 Oc1ccc(CC2CCCC2)cc1 Amb18563268 [0,1,0,1,0,0|1,0,0]=3 7125 B14R2.72 Oc1ccc(CC2CCCN2)cc1 Amb18062877 [0,1,0,1,0,0|1,0,0]=3 7126 B14R2.72 Oc1ccc(CC2CCNC2)cc1 Amb25359100 [0,1,0,1,0,0|2,0,0]=4 7127 B14R2.72 Oc1ccc(CN2CCCC2)cc1 Amb10817374 [0,1,0,1,0,0|2,0,0]=4 7128 B14R2.72 Oc1ccc(CN2CCCN2)cc1 Amb27236312 [0,1,0,1,0,0|2,0,0]=4 7129 B14R2.72 Oc1ccc(OC2CCCC2)cc1 Amb33528795 [0,1,0,1,0,0|2,0,0]=4 7130 B14R2.72 Oc1ccc(SC2CCCO2)cc1 Amb28048047 [0,1,0,1,0,0|1,0,0]=3 7131 B14R2.72 Sc1ccc(CN2CCCC2)cc1 Amb19649795 [0,1,0,1,0,0|2,0,0]=4 7132 B14R2.72 Sc1ccc(OC2CCCC2)cc1 Amb19888159 [0,1,0,1,0,0|2,0,0]=4 7133 B14R2.72 Sc1ccc(SC2CCCC2)cc1 Amb25316075 [0,1,0,1,0,0|2,0,0]=4 7134 B14R2.91 Cc1ccc(N2CCC2CN)cc1 Amb35595736 [0,1,0,1,0,0|2,0,0]=4 7135 B14R2.91 NCC1CCC1c2ccc(Br)cc2 Amb35633830 [0,1,0,1,0,0|1,0,0]=3 7136 B14R2.91 NCC1CCN1c2ccc(Br)cc2 Amb29852853 [0,1,0,1,0,0|2,0,0]=4 7137 B14R2.91 NCC1CCN1c2ccc(Cl)cc2 Amb35595742 [0,1,0,1,0,0|2,0,0]=4 7138 B14R2.91 NCC1CCN1c2ccc(F)cc2 Amb29852862 [0,1,0,1,0,0|2,0,0]=4 7139 B14R2.91 NCC1CCN1c2ccc(I)cc2 Amb35595821 [0,1,0,1,0,0|2,0,0]=4 7140 B14R2.91 Nc1ccc(N2CCC2CO)cc1 Amb25114649 [0,1,0,1,0,0|1,0,0]=3 7141 B14R2.241 Cc1ccc(SC2CC2CO)nc1 Amb27748930 [0,1,0,1,0,0|2,0,0]=4 7142 B14R2.241 OCC1CC1Sc2ccc(Br)cc2 Amb28182883 [0,1,0,1,0,0|1,0,0]=3 7143 B14R2.241 OCC1CC1Sc2ccc(F)cc2 Amb28182884 [0,1,0,1,0,0|1,0,0]=3 7144 B14R2.241 OC[C@@H]1C[C@H]1Nc2ccc(Br)cn2 Amb27490343 [0,1,0,1,0,0|2,0,0]=4 7145 B14R2.241 OC[C@@H]1C[C@H]1Nc2ccc(Cl)cn2 Amb27420740 [0,1,0,1,0,0|2,0,0]=4 7146 B14R2.926 Brc1ccc(C2CCCC2Br)cc1 Amb35656659 [0,1,0,1,0,0|1,0,0]=3 7147 B14R2.926 Brc1ccc(C2COCC2Br)cc1 Amb35656655 [0,1,0,1,0,0|2,0,0]=4 7148 B14R2.926 CC1CCCN1c2ccc(I)cc2 Amb27609240 [0,1,0,1,0,0|2,0,0]=4 7149 B14R2.926 CC1CCNC1c2ccc(Cl)cc2 Amb3788591 [0,1,0,1,0,0|2,0,0]=4 7150 B14R2.926 CC1CNCC1c2ccc(Br)cc2 Amb26951628 [0,1,0,1,0,0|2,0,0]=4 7151 B14R2.926 CC1CNCC1c2ccc(Br)cc2 Amb32668962 [0,1,0,1,0,0|2,0,0]=4 7152 B14R2.926 CC1CNCC1c2ccc(Cl)cc2 Amb27852143 [0,1,0,1,0,0|2,0,0]=4 7153 B14R2.926 CC1CNCC1c2ccc(F)cc2 Amb27222707 [0,1,0,1,0,0|2,0,0]=4 7154 B14R2.926 CC1NCCC1c2ccc(Br)cc2 Amb18156968 [0,1,0,1,0,0|2,0,0]=4 7155 B14R2.926 CC1NCCC1c2ccc(Cl)cc2 Amb18280032 [0,1,0,1,0,0|2,0,0]=4 7156 B14R2.926 CN1CCCC1c2ccc(Br)cc2 Amb18562883 [0,1,0,1,0,0|2,0,0]=4 7157 B14R2.926 CN1CCCC1c2ccc(F)cc2 Amb23578428 [0,1,0,1,0,0|2,0,0]=4 7158 B14R2.926 CN1CCCC1c2ccc(N)cc2 Amb18064921 [0,1,0,1,0,0|2,0,0]=4 7159 B14R2.926 CN1CCC[C@H]1c2ccc(N)cc2 Amb27495637 [0,1,0,1,0,0|2,0,0]=4 7160 B14R2.926 C[C@@H]1CCN[C@H]1c2ccc(Br)cc2 Amb18156752 [0,1,0,1,0,0|2,0,0]=4 7161 B14R2.926 C[C@@H]1CCN[C@H]1c2ccc(Cl)cc2 Amb18189119 [0,1,0,1,0,0|2,0,0]=4 7162 B14R2.926 C[C@@H]1CCN[C@H]1c2ccc(F)cc2 Amb18194450 [0,1,0,1,0,0|2,0,0]=4 7163 B14R2.926 C[C@@H]1CCN[C@H]1c2ccc(O)cc2 Amb18195881 [0,1,0,1,0,0|2,0,0]=4 7164 B14R2.926 C[C@@H]1CNC[C@H]1c2ccc(Br)cc2 Amb18156605 [0,1,0,1,0,0|2,0,0]=4 7165 B14R2.926 C[C@H]1CCN[C@@H]1c2ccc(Br)cc2 Amb27783060 [0,1,0,1,0,0|2,0,0]=4 7166 B14R2.926 C[C@H]1CCN[C@@H]1c2ccc(O)cc2 Amb28400112 [0,1,0,1,0,0|2,0,0]=4 7167 B14R2.926 Cc1ccc(C2CCCC2=O)cc1 Amb18183857 [0,1,0,1,0,0|0,0,2]=4 7168 B14R2.926 Cc1ccc(C2CCCC2Cl)cc1 Amb18324838 [0,1,0,1,0,0|1,0,0]=3 7169 B14R2.926 Cc1ccc(C2CCCC2N)cc1 Amb17506310 [0,1,0,1,0,0|1,0,0]=3 7170 B14R2.926 Cc1ccc(C2CCCC2O)cc1 Amb18184092 [0,1,0,1,0,0|0,0,0]=2 7171 B14R2.926 Cc1ccc(C2CCCC2O)cn1 Amb27248819 [0,1,0,1,0,0|1,0,0]=3 7172 B14R2.926 Cc1ccc(C2CCCC2O)nc1 Amb23448982 [0,1,0,1,0,0|1,0,0]=3 7173 B14R2.926 Cc1ccc(C2CCCN2C)cc1 Amb27982626 [0,1,0,1,0,0|2,0,0]=4 7174 B14R2.926 Cc1ccc(C2CCCN2N)cc1 Amb22288945 [0,1,0,1,0,0|2,0,0]=4 7175 B14R2.926 Cc1ccc(C2CCNC2C)cc1 Amb18947160 [0,1,0,1,0,0|2,0,0]=4 7176 B14R2.926 Cc1ccc(C2CNCC2C)cc1 Amb25280965 [0,1,0,1,0,0|2,0,0]=4 7177 B14R2.926 Cc1ccc(C2CNCC2N)cc1 Amb24597122 [0,1,0,1,0,0|2,0,0]=4 7178 B14R2.926 Cc1ccc(C2CNCC2O)cc1 Amb27441372 [0,1,0,1,0,0|1,0,0]=3 7179 B14R2.926 Cc1ccc(C2CNCC2O)cn1 Amb32944978 [0,1,0,1,0,0|2,0,0]=4 7180 B14R2.926 Cc1ccc(C2COCC2Br)cc1 Amb29877889 [0,1,0,1,0,0|2,0,0]=4 7181 B14R2.926 Cc1ccc(C2COCC2Cl)cc1 Amb29877831 [0,1,0,1,0,0|2,0,0]=4 7182 B14R2.926 Cc1ccc(C2COCC2N)cc1 Amb35608338 [0,1,0,1,0,0|2,0,0]=4 7183 B14R2.926 Cc1ccc(C2COCC2O)cc1 Amb32951022 [0,1,0,1,0,0|1,0,0]=3 7184 B14R2.926 Cc1ccc(C2COCC2O)cn1 Amb32950083 [0,1,0,1,0,0|2,0,0]=4 7185 B14R2.926 Cc1ccc(C2NCCC2C)cc1 Amb3788236 [0,1,0,1,0,0|2,0,0]=4 7186 B14R2.926 Cc1ccc(C2NCCC2O)cc1 Amb18824963 [0,1,0,1,0,0|1,0,0]=3 7187 B14R2.926 Cc1ccc(C2NCCC2O)nc1 Amb18195235 [0,1,0,1,0,0|2,0,0]=4 7188 B14R2.926 Cc1ccc(C2OCCC2Cl)cc1 Amb27605850 [0,1,0,1,0,0|2,0,0]=4 7189 B14R2.926 Cc1ccc([C@@H]2CCC[C@@H]2O)cc1 Amb27184487 [0,1,0,1,0,0|0,0,0]=2 7190 B14R2.926 Cc1ccc([C@@H]2CCC[C@H]2N)cc1 Amb27628698 [0,1,0,1,0,0|1,0,0]=3 7191 B14R2.926 Cc1ccc([C@@H]2CCC[C@H]2O)cc1 Amb25075752 [0,1,0,1,0,0|0,0,0]=2 7192 B14R2.926 Cc1ccc([C@@H]2CCC[C@H]2O)cn1 Amb32951055 [0,1,0,1,0,0|1,0,0]=3 7193 B14R2.926 Cc1ccc([C@@H]2CNC[C@H]2O)cc1 Amb33213353 [0,1,0,1,0,0|1,0,0]=3 7194 B14R2.926 Cc1ccc([C@@H]2CNC[C@H]2O)cn1 Amb32944673 [0,1,0,1,0,0|2,0,0]=4 7195 B14R2.926 Cc1ccc([C@@H]2COC[C@H]2O)cc1 Amb32950514 [0,1,0,1,0,0|1,0,0]=3 7196 B14R2.926 Cc1ccc([C@@H]2COC[C@H]2O)cn1 Amb32945661 [0,1,0,1,0,0|2,0,0]=4 7197 B14R2.926 Cc1ccc([C@@H]2NCC[C@H]2C)cc1 Amb18197091 [0,1,0,1,0,0|2,0,0]=4 7198 B14R2.926 Cc1ccc([C@H]2CCC[C@@H]2N)cc1 Amb27626559 [0,1,0,1,0,0|1,0,0]=3 7199 B14R2.926 ClC1CCCC1c2ccc(Br)cc2 Amb35656658 [0,1,0,1,0,0|1,0,0]=3 7200 B14R2.926 ClC1COCC1c2ccc(Br)cc2 Amb35656662 [0,1,0,1,0,0|2,0,0]=4 7201 B14R2.926 Clc1ccc(C2COCC2Br)cc1 Amb35590015 [0,1,0,1,0,0|2,0,0]=4 7202 B14R2.926 Clc1ccc(C2COCC2Cl)cc1 Amb35589929 [0,1,0,1,0,0|2,0,0]=4 7203 B14R2.926 Fc1ccc(C2CNCC2F)cc1 Amb27399218 [0,1,0,1,0,0|2,0,0]=4 7204 B14R2.926 Fc1ccc(C2COCC2Br)cc1 Amb29877898 [0,1,0,1,0,0|2,0,0]=4 7205 B14R2.926 Fc1ccc(C2COCC2Cl)cc1 Amb29877840 [0,1,0,1,0,0|2,0,0]=4 7206 B14R2.926 NC1CCCC1c2ccc(Br)cc2 Amb24491284 [0,1,0,1,0,0|1,0,0]=3 7207 B14R2.926 NC1CCCC1c2ccc(Br)cc2 Amb33299408 [0,1,0,1,0,0|1,0,0]=3 7208 B14R2.926 NC1CCCC1c2ccc(Br)nc2 Amb27410648 [0,1,0,1,0,0|2,0,0]=4 7209 B14R2.926 NC1CCCC1c2ccc(Cl)cc2 Amb17506319 [0,1,0,1,0,0|1,0,0]=3 7210 B14R2.926 NC1CCCC1c2ccc(Cl)cc2 Amb19148118 [0,1,0,1,0,0|1,0,0]=3 7211 B14R2.926 NC1CCCC1c2ccc(Cl)nc2 Amb27469903 [0,1,0,1,0,0|2,0,0]=4 7212 B14R2.926 NC1CCCC1c2ccc(F)cc2 Amb17506316 [0,1,0,1,0,0|1,0,0]=3 7213 B14R2.926 NC1CCCC1c2ccc(F)cc2 Amb19148120 [0,1,0,1,0,0|1,0,0]=3 7214 B14R2.926 NC1CCCC1c2ccc(F)cn2 Amb27221900 [0,1,0,1,0,0|2,0,0]=4 7215 B14R2.926 NC1CCCC1c2ccc(F)nc2 Amb27191876 [0,1,0,1,0,0|2,0,0]=4 7216 B14R2.926 NC1CCCC1c2ccc(I)cc2 Amb25726465 [0,1,0,1,0,0|1,0,0]=3 7217 B14R2.926 NC1CCCC1c2ccc(O)nc2 Amb27811877 [0,1,0,1,0,0|2,0,0]=4 7218 B14R2.926 NC1CCOC1c2ccc(Cl)cc2 Amb24660263 [0,1,0,1,0,0|2,0,0]=4 7219 B14R2.926 NC1CNCC1c2ccc(Br)cc2 Amb27629795 [0,1,0,1,0,0|2,0,0]=4 7220 B14R2.926 NC1CNCC1c2ccc(F)cc2 Amb24398794 [0,1,0,1,0,0|2,0,0]=4 7221 B14R2.926 NC1CNCC1c2ccc(I)cc2 Amb28056197 [0,1,0,1,0,0|2,0,0]=4 7222 B14R2.926 NC1COCC1c2ccc(Br)cc2 Amb35591798 [0,1,0,1,0,0|2,0,0]=4 7223 B14R2.926 NC1COCC1c2ccc(Cl)cc2 Amb29882707 [0,1,0,1,0,0|2,0,0]=4 7224 B14R2.926 NC1COCC1c2ccc(F)cc2 Amb27794840 [0,1,0,1,0,0|2,0,0]=4 7225 B14R2.926 NN1CCCC1c2ccc(Br)cc2 Amb28047443 [0,1,0,1,0,0|2,0,0]=4 7226 B14R2.926 NN1CCCC1c2ccc(Cl)cc2 Amb22275656 [0,1,0,1,0,0|2,0,0]=4 7227 B14R2.926 NN1CCCC1c2ccc(F)cc2 Amb25999083 [0,1,0,1,0,0|2,0,0]=4 7228 B14R2.926 N[C@@H]1CCC[C@@H]1c2ccc(Cl)cc2 Amb26621056 [0,1,0,1,0,0|1,0,0]=3 7229 B14R2.926 N[C@@H]1CCC[C@@H]1c2ccc(F)cc2 Amb27627815 [0,1,0,1,0,0|1,0,0]=3 7230 B14R2.926 N[C@@H]1CCC[C@H]1c2ccc(F)cc2 Amb28594266 [0,1,0,1,0,0|1,0,0]=3 7231 B14R2.926 N[C@@H]1CCO[C@@H]1c2ccc(Cl)cc2 Amb34915521 [0,1,0,1,0,0|2,0,0]=4 7232 B14R2.926 N[C@@H]1CCO[C@@H]1c2ccc(F)cc2 Amb27422015 [0,1,0,1,0,0|2,0,0]=4 7233 B14R2.926 N[C@@H]1CCO[C@H]1c2ccc(Cl)cc2 Amb31147393 [0,1,0,1,0,0|2,0,0]=4 7234 B14R2.926 N[C@@H]1CNC[C@H]1c2ccc(O)cc2 Amb28056122 [0,1,0,1,0,0|2,0,0]=4 7235 B14R2.926 N[C@@H]1COC[C@@H]1c2ccc(F)cc2 Amb24761501 [0,1,0,1,0,0|2,0,0]=4 7236 B14R2.926 N[C@H]1CCC[C@@H]1c2ccc(F)cc2 Amb28430452 [0,1,0,1,0,0|1,0,0]=3 7237 B14R2.926 N[C@H]1CCC[C@@H]1c2ccc(I)cc2 Amb27788880 [0,1,0,1,0,0|1,0,0]=3 7238 B14R2.926 N[C@H]1CCC[C@@H]1c2ccc(O)cc2 Amb27206716 [0,1,0,1,0,0|1,0,0]=3 7239 B14R2.926 N[C@H]1CCC[C@H]1c2ccc(Cl)cc2 Amb28323008 [0,1,0,1,0,0|1,0,0]=3 7240 B14R2.926 N[C@H]1CCC[C@H]1c2ccc(I)cc2 Amb25912669 [0,1,0,1,0,0|1,0,0]=3 7241 B14R2.926 N[C@H]1COC[C@H]1c2ccc(F)cc2 Amb27449915 [0,1,0,1,0,0|2,0,0]=4 7242 B14R2.926 Nc1ccc(C2CCCC2=O)cc1 Amb27415589 [0,1,0,1,0,0|0,0,2]=4 7243 B14R2.926 Nc1ccc(C2CCCC2Cl)cc1 Amb27791881 [0,1,0,1,0,0|1,0,0]=3 7244 B14R2.926 Nc1ccc([C@H]2CCC[C@H]2N)cc1 Amb27970502 [0,1,0,1,0,0|1,0,0]=3 7245 B14R2.926 O=C1CCCC1c2ccc(Br)cc2 Amb25826091 [0,1,0,1,0,0|0,0,2]=4 7246 B14R2.926 O=C1CCCC1c2ccc(Cl)cc2 Amb18324828 [0,1,0,1,0,0|0,0,2]=4 7247 B14R2.926 O=C1CCCC1c2ccc(F)cc2 Amb18184299 [0,1,0,1,0,0|0,0,2]=4 7248 B14R2.926 OC1CCC=C1c2ccc(F)cc2 Amb28289658 [0,1,0,1,0,0|0,0,2]=4 7249 B14R2.926 OC1CCCC1c2ccc(Br)cc2 Amb32945263 [0,1,0,1,0,0|0,0,0]=2 7250 B14R2.926 OC1CCCC1c2ccc(Br)cn2 Amb23448966 [0,1,0,1,0,0|1,0,0]=3 7251 B14R2.926 OC1CCCC1c2ccc(Cl)cc2 Amb18325166 [0,1,0,1,0,0|0,0,0]=2 7252 B14R2.926 OC1CCCC1c2ccc(F)cc2 Amb18184737 [0,1,0,1,0,0|0,0,0]=2 7253 B14R2.926 OC1CCNC1c2ccc(Br)cc2 Amb18156059 [0,1,0,1,0,0|1,0,0]=3 7254 B14R2.926 OC1CCNC1c2ccc(Cl)cc2 Amb18188145 [0,1,0,1,0,0|1,0,0]=3 7255 B14R2.926 OC1CCNC1c2ccc(F)cc2 Amb18193148 [0,1,0,1,0,0|1,0,0]=3 7256 B14R2.926 OC1CNCC1c2ccc(Br)cc2 Amb32944358 [0,1,0,1,0,0|1,0,0]=3 7257 B14R2.926 OC1CNCC1c2ccc(Cl)cc2 Amb25223323 [0,1,0,1,0,0|1,0,0]=3 7258 B14R2.926 OC1CNCC1c2ccc(F)cc2 Amb27202117 [0,1,0,1,0,0|1,0,0]=3 7259 B14R2.926 OC1COCC1c2ccc(Br)cc2 Amb32951031 [0,1,0,1,0,0|1,0,0]=3 7260 B14R2.926 OC1COCC1c2ccc(Cl)cc2 Amb27238084 [0,1,0,1,0,0|1,0,0]=3 7261 B14R2.926 OC1COCC1c2ccc(F)cc2 Amb24490891 [0,1,0,1,0,0|1,0,0]=3 7262 B14R2.926 ON1CCCC1c2ccc(Br)cc2 Amb18728518 [0,1,0,1,0,0|1,0,0]=3 7263 B14R2.926 O[C@@H]1CC=C[C@H]1c2ccc(F)cc2 Amb27219084 [0,1,0,1,0,0|0,0,2]=4 7264 B14R2.926 O[C@@H]1CCC[C@H]1c2ccc(Br)cc2 Amb32950095 [0,1,0,1,0,0|0,0,0]=2 7265 B14R2.926 O[C@@H]1CCC[C@H]1c2ccc(Cl)cc2 Amb26419931 [0,1,0,1,0,0|0,0,0]=2 7266 B14R2.926 O[C@@H]1CCC[C@H]1c2ccc(F)cc2 Amb27422635 [0,1,0,1,0,0|0,0,0]=2 7267 B14R2.926 O[C@@H]1CCN[C@@H]1c2ccc(Br)cc2 Amb32670847 [0,1,0,1,0,0|1,0,0]=3 7268 B14R2.926 O[C@@H]1CCN[C@@H]1c2ccc(Cl)cc2 Amb25169106 [0,1,0,1,0,0|1,0,0]=3 7269 B14R2.926 O[C@@H]1CNC[C@H]1c2ccc(Br)cc2 Amb33213243 [0,1,0,1,0,0|1,0,0]=3 7270 B14R2.926 O[C@@H]1CNC[C@H]1c2ccc(Cl)cc2 Amb32944294 [0,1,0,1,0,0|1,0,0]=3 7271 B14R2.926 O[C@@H]1CNC[C@H]1c2ccc(F)cc2 Amb33213489 [0,1,0,1,0,0|1,0,0]=3 7272 B14R2.926 O[C@@H]1COC[C@H]1c2ccc(Br)cc2 Amb33213781 [0,1,0,1,0,0|1,0,0]=3 7273 B14R2.926 O[C@@H]1COC[C@H]1c2ccc(Cl)cc2 Amb32950266 [0,1,0,1,0,0|1,0,0]=3 7274 B14R2.926 O[C@@H]1COC[C@H]1c2ccc(F)cc2 Amb27981926 [0,1,0,1,0,0|1,0,0]=3 7275 B14R2.926 O[C@H]1CCC=C1c2ccc(F)cc2 Amb28345046 [0,1,0,1,0,0|0,0,2]=4 7276 B14R2.926 O[C@H]1CCN[C@H]1c2ccc(Cl)cc2 Amb26431078 [0,1,0,1,0,0|1,0,0]=3 7277 B14R2.926 Oc1ccc(C2CCCC2O)cc1 Amb32944445 [0,1,0,1,0,0|0,0,0]=2 7278 B14R2.926 Oc1ccc(C2CNCC2O)cc1 Amb32944706 [0,1,0,1,0,0|1,0,0]=3 7279 B14R2.926 Oc1ccc(C2COCC2O)cc1 Amb33213261 [0,1,0,1,0,0|1,0,0]=3 7280 B14R2.926 Oc1ccc(C2NCCC2F)cc1 Amb27864401 [0,1,0,1,0,0|2,0,0]=4 7281 B14R2.926 Oc1ccc(C2NCCC2O)cc1 Amb18194674 [0,1,0,1,0,0|1,0,0]=3 7282 B14R2.926 Oc1ccc([C@@H]2CCC[C@H]2O)cc1 Amb32950323 [0,1,0,1,0,0|0,0,0]=2 7283 B14R2.926 Oc1ccc([C@@H]2CNC[C@H]2O)cc1 Amb33213812 [0,1,0,1,0,0|1,0,0]=3 7284 B14R2.926 Oc1ccc([C@@H]2COC[C@H]2O)cc1 Amb32950811 [0,1,0,1,0,0|1,0,0]=3 7285 B14R2.946 Cc1ccc(CC2CCC2O)cc1 Amb33213608 [0,1,0,1,0,0|0,0,0]=2 7286 B14R2.946 Cc1ccc(NC2CCC2C)cc1 Amb27164809 [0,1,0,1,0,0|2,0,0]=4 7287 B14R2.946 Cc1ccc(NC2CCC2O)cc1 Amb31199837 [0,1,0,1,0,0|1,0,0]=3 7288 B14R2.946 Cc1ccc(OC2CCC2O)cc1 Amb34932810 [0,1,0,1,0,0|1,0,0]=3 7289 B14R2.946 NC1CCC1Cc2ccc(Cl)cc2 Amb27167913 [0,1,0,1,0,0|1,0,0]=3 7290 B14R2.946 OC1CCC1Cc2ccc(Br)cc2 Amb32950701 [0,1,0,1,0,0|0,0,0]=2 7291 B14R2.946 OC1CCC1Cc2ccc(Br)cn2 Amb32944735 [0,1,0,1,0,0|1,0,0]=3 7292 B14R2.946 OC1CCC1Cc2ccc(Cl)cc2 Amb32944993 [0,1,0,1,0,0|0,0,0]=2 7293 B14R2.946 OC1CCC1Cc2ccc(Cl)cn2 Amb33213975 [0,1,0,1,0,0|1,0,0]=3 7294 B14R2.946 OC1CCC1Cc2ccc(F)cc2 Amb32950925 [0,1,0,1,0,0|0,0,0]=2 7295 B14R2.946 OC1CCC1Cc2ccc(I)cc2 Amb32944414 [0,1,0,1,0,0|0,0,0]=2 7296 B14R2.946 OC1CCC1Oc2ccc(Cl)cc2 Amb34931047 [0,1,0,1,0,0|1,0,0]=3 7297 B14R2.946 OC1CCC1Oc2ccc(F)cc2 Amb34931045 [0,1,0,1,0,0|1,0,0]=3 7298 B14R2.946 O[C@@H]1CC[C@H]1Nc2ccc(F)cn2 Amb27659209 [0,1,0,1,0,0|2,0,0]=4 7299 B14R2.946 Oc1ccc(CC2CCC2O)cc1 Amb32945685 [0,1,0,1,0,0|0,0,0]=2 7300 B14R2.951 Brc1ccc(CCCC2CO2)cc1 Amb33332207 [0,1,0,1,0,0|0,0,0]=2 7301 B14R2.951 Brc1ccc(CCNC2CC2)cc1 Amb9214762 [0,1,0,1,0,0|2,0,0]=4 7302 B14R2.951 Brc1ccc(CNCC2CC2)cc1 Amb6686681 [0,1,0,1,0,0|2,0,0]=4 7303 B14R2.951 Brc1ccc(COCC2CC2)cc1 Amb22371584 [0,1,0,1,0,0|2,0,0]=4 7304 B14R2.951 Brc1ccc(NCCC2CC2)cc1 Amb27181166 [0,1,0,1,0,0|2,0,0]=4 7305 B14R2.951 Cc1ccc(CCNC2CC2)cc1 Amb8853806 [0,1,0,1,0,0|2,0,0]=4 7306 B14R2.951 Cc1ccc(CNCC2CC2)cc1 Amb6686705 [0,1,0,1,0,0|2,0,0]=4 7307 B14R2.951 Clc1ccc(CCNC2CC2)cc1 Amb9214756 [0,1,0,1,0,0|2,0,0]=4 7308 B14R2.951 Clc1ccc(CNCC2CC2)cc1 Amb6686682 [0,1,0,1,0,0|2,0,0]=4 7309 B14R2.951 Clc1ccc(COCC2CO2)cc1 Amb9702927 [0,1,0,1,0,0|1,0,0]=3 7310 B14R2.951 Fc1ccc(CCCC2CO2)cc1 Amb33321236 [0,1,0,1,0,0|0,0,0]=2 7311 B14R2.951 Fc1ccc(CCNC2CC2)cc1 Amb8853843 [0,1,0,1,0,0|2,0,0]=4 7312 B14R2.951 Fc1ccc(CNCC2CC2)cc1 Amb6686685 [0,1,0,1,0,0|2,0,0]=4 7313 B14R2.951 Fc1ccc(\C=C\CC2CO2)cc1 Amb33202425 [0,1,0,1,0,0|0,0,2]=4 7314 B14R2.951 Nc1ccc(OCCC2CC2)cc1 Amb32665189 [0,1,0,1,0,0|2,0,0]=4 7315 B14R2.951 Nc1ccc(OCCC2CC2)cc1 Amb32665193 [0,1,0,1,0,0|2,0,0]=4 7316 B14R2.951 Oc1ccc(CNCC2CC2)cc1 Amb13951896 [0,1,0,1,0,0|2,0,0]=4 7317 B14R2.951 Oc1ccc(CNCC2CC2)cc1 Amb6686677 [0,1,0,1,0,0|2,0,0]=4 7318 B14R2.953 CC1CC1CNc2ccc(Br)cc2 Amb28126333 [0,1,0,1,0,0|2,0,0]=4 7319 B14R2.953 CC1CC1CNc2ccc(Cl)cc2 Amb27456209 [0,1,0,1,0,0|2,0,0]=4 7320 B14R2.953 CC1CC1CNc2ccc(N)cc2 Amb28399198 [0,1,0,1,0,0|2,0,0]=4 7321 B14R2.953 CC1CC1NCc2ccc(I)cc2 Amb28142657 [0,1,0,1,0,0|2,0,0]=4 7322 B14R2.953 CC1CC1NCc2ccc(O)cc2 Amb18990694 [0,1,0,1,0,0|2,0,0]=4 7323 B14R2.953 C[C@@H]1C[C@H]1NCc2ccc(Br)cc2 Amb27778284 [0,1,0,1,0,0|2,0,0]=4 7324 B14R2.953 C[C@@H]1C[C@H]1NCc2ccc(Cl)cc2 Amb28066963 [0,1,0,1,0,0|2,0,0]=4 7325 B14R2.953 C[C@@H]1C[C@H]1NCc2ccc(O)cc2 Amb27662688 [0,1,0,1,0,0|2,0,0]=4 7326 B14R2.953 Cc1ccc(CN[C@@H]2C[C@H]2C)cc1 Amb27453856 [0,1,0,1,0,0|2,0,0]=4 7327 B14R2.953 Cc1ccc(OCC2CC2N)cc1 Amb25158331 [0,1,0,1,0,0|2,0,0]=4 7328 B14R2.953 NC1CC1CCc2ccc(Br)cc2 Amb33332171 [0,1,0,1,0,0|1,0,0]=3 7329 B14R2.953 NC1CC1CCc2ccc(F)cc2 Amb33320020 [0,1,0,1,0,0|1,0,0]=3 7330 B14R2.953 NC1CC1COc2ccc(Br)cc2 Amb28316766 [0,1,0,1,0,0|2,0,0]=4 7331 B14R2.953 NC1CC1COc2ccc(Cl)cc2 Amb24455784 [0,1,0,1,0,0|2,0,0]=4 7332 B14R2.953 NC1CC1COc2ccc(F)cc2 Amb26912023 [0,1,0,1,0,0|2,0,0]=4 7333 B14R2.953 N[C@@H]1C[C@H]1CCc2ccc(Br)cc2 Amb33332169 [0,1,0,1,0,0|1,0,0]=3 7334 B14R2.953 N[C@@H]1C[C@H]1CCc2ccc(F)cc2 Amb33320021 [0,1,0,1,0,0|1,0,0]=3 7335 B14R2.5637 Brc1ccc2c(c1)C(Br)CCCC2 Amb27590499 [0,1,0,1,0,0|1,0,0]=3 7336 B14R2.5637 CC1CCNCc2ccc(F)cc21 Amb27481992 [0,1,0,1,0,0|2,0,0]=4 7337 B14R2.5637 CC1CNCCc2ccc(Cl)cc21 Amb22491919 [0,1,0,1,0,0|2,0,0]=4 7338 B14R2.5637 CC1CNCCc2ccc(Cl)cc21 Amb8395387 [0,1,0,1,0,0|2,0,0]=4 7339 B14R2.5637 CC1CNCCc2ccc(F)cc21 Amb27402513 [0,1,0,1,0,0|2,0,0]=4 7340 B14R2.5637 CC1CNCCc2ccc(F)cc21 Amb28556012 [0,1,0,1,0,0|2,0,0]=4 7341 B14R2.5637 CC1CNCCc2ccc(O)cc21 Amb26481337 [0,1,0,1,0,0|2,0,0]=4 7342 B14R2.5637 CC1CNCCc2ccc(O)cc21 Amb33741724 [0,1,0,1,0,0|2,0,0]=4 7343 B14R2.5637 CN1CCCCc2ccc(Cl)cc21 Amb28187493 [0,1,0,1,0,0|2,0,0]=4 7344 B14R2.5637 C[C@@H]1CNCCc2ccc(Cl)cc21 Amb22748822 [0,1,0,1,0,0|2,0,0]=4 7345 B14R2.5637 C[C@@H]1CNCCc2ccc(Cl)cc21 Amb22750596 [0,1,0,1,0,0|2,0,0]=4 7346 B14R2.5637 C[C@H]1CNCCc2ccc(Cl)cc21 Amb33871614 [0,1,0,1,0,0|2,0,0]=4 7347 B14R2.5637 C[C@H]1CNCCc2ccc(Cl)cc21 Amb8395388 [0,1,0,1,0,0|2,0,0]=4 7348 B14R2.5637 Cc1ccc2c(c1)C(=O)CCCC2 Amb17087860 [0,1,0,1,0,0|0,0,2]=4 7349 B14R2.5637 Cc1ccc2c(c1)C(Br)CCCC2 Amb28067262 [0,1,0,1,0,0|1,0,0]=3 7350 B14R2.5637 Cc1ccc2c(c1)C(Cl)CCCC2 Amb17087957 [0,1,0,1,0,0|1,0,0]=3 7351 B14R2.5637 Cc1ccc2c(c1)C(F)CCNC2 Amb27229340 [0,1,0,1,0,0|2,0,0]=4 7352 B14R2.5637 Cc1ccc2c(c1)C(N)CCCC2 Amb17088105 [0,1,0,1,0,0|1,0,0]=3 7353 B14R2.5637 Cc1ccc2c(c1)C(N)CCCN2 Amb21859005 [0,1,0,1,0,0|2,0,0]=4 7354 B14R2.5637 Cc1ccc2c(c1)C(N)CCCO2 Amb8843615 [0,1,0,1,0,0|2,0,0]=4 7355 B14R2.5637 Cc1ccc2c(c1)C(N)CCSC2 Amb27872409 [0,1,0,1,0,0|2,0,0]=4 7356 B14R2.5637 Cc1ccc2c(c1)C(O)CCCC2 Amb17087906 [0,1,0,1,0,0|0,0,0]=2 7357 B14R2.5637 Cc1ccc2c(c1)C(O)CCCO2 Amb17578298 [0,1,0,1,0,0|1,0,0]=3 7358 B14R2.5637 Cc1ccc2c(c1)C(O)CCNC2 Amb24494414 [0,1,0,1,0,0|1,0,0]=3 7359 B14R2.5637 Cc1ccc2c(c1)C(O)CCSC2 Amb27431506 [0,1,0,1,0,0|1,0,0]=3 7360 B14R2.5637 Cc1ccc2c(c1)[C@@H](N)CCSC2 Amb28071294 [0,1,0,1,0,0|2,0,0]=4 7361 B14R2.5637 Cc1ccc2c(c1)[C@@H](O)CCCO2 Amb27805669 [0,1,0,1,0,0|1,0,0]=3 7362 B14R2.5637 Cc1ccc2c(c1)[C@H](O)CCCO2 Amb28282184 [0,1,0,1,0,0|1,0,0]=3 7363 B14R2.5637 Cc1ccc2c(n1)C(O)CCCC2 Amb28321273 [0,1,0,1,0,0|1,0,0]=3 7364 B14R2.5637 Clc1ccc2c(c1)C(Br)CCCC2 Amb28342729 [0,1,0,1,0,0|1,0,0]=3 7365 B14R2.5637 FC1CCCNc2ccc(Cl)cc21 Amb27842276 [0,1,0,1,0,0|2,0,0]=4 7366 B14R2.5637 Fc1ccc2c(c1)C(Cl)CCCC2 Amb17087958 [0,1,0,1,0,0|1,0,0]=3 7367 B14R2.5637 NC1CCCCc2ccc(Br)cc21 Amb28206464 [0,1,0,1,0,0|1,0,0]=3 7368 B14R2.5637 NC1CCCCc2ccc(Cl)cc21 Amb17088107 [0,1,0,1,0,0|1,0,0]=3 7369 B14R2.5637 NC1CCCCc2ccc(F)cc21 Amb17088106 [0,1,0,1,0,0|1,0,0]=3 7370 B14R2.5637 NC1CCCNc2ccc(Br)cc21 Amb18729510 [0,1,0,1,0,0|2,0,0]=4 7371 B14R2.5637 NC1CCCNc2ccc(Cl)cc21 Amb18188618 [0,1,0,1,0,0|2,0,0]=4 7372 B14R2.5637 NC1CCCOc2ccc(Br)cc21 Amb33483518 [0,1,0,1,0,0|2,0,0]=4 7373 B14R2.5637 NC1CCCOc2ccc(Br)cc21 Amb9716182 [0,1,0,1,0,0|2,0,0]=4 7374 B14R2.5637 NC1CCCOc2ccc(Cl)cc21 Amb8843616 [0,1,0,1,0,0|2,0,0]=4 7375 B14R2.5637 NC1CCCOc2ccc(F)cc21 Amb10610064 [0,1,0,1,0,0|2,0,0]=4 7376 B14R2.5637 NC1CCCOc2ccc(F)cc21 Amb9716184 [0,1,0,1,0,0|2,0,0]=4 7377 B14R2.5637 NC1CCCSc2ccc(Br)cc21 Amb28555836 [0,1,0,1,0,0|2,0,0]=4 7378 B14R2.5637 NC1CCCSc2ccc(Br)cc21 Amb8996762 [0,1,0,1,0,0|2,0,0]=4 7379 B14R2.5637 NC1CCCSc2ccc(Cl)cc21 Amb8845470 [0,1,0,1,0,0|2,0,0]=4 7380 B14R2.5637 NC1CCSCc2ccc(Br)cc21 Amb27872410 [0,1,0,1,0,0|2,0,0]=4 7381 B14R2.5637 N[C@@H]1CCCCc2ccc(Br)cc21 Amb28321636 [0,1,0,1,0,0|1,0,0]=3 7382 B14R2.5637 N[C@@H]1CCCOc2ccc(Br)cc21 Amb27585375 [0,1,0,1,0,0|2,0,0]=4 7383 B14R2.5637 N[C@@H]1CCSCc2ccc(F)cc21 Amb27869431 [0,1,0,1,0,0|2,0,0]=4 7384 B14R2.5637 N[C@H]1CCCCc2ccc(Cl)cc21 Amb27833887 [0,1,0,1,0,0|1,0,0]=3 7385 B14R2.5637 N[C@H]1CCCCc2ccc(F)cc21 Amb28437302 [0,1,0,1,0,0|1,0,0]=3 7386 B14R2.5637 N[C@H]1CCCOc2ccc(Br)cc21 Amb28188576 [0,1,0,1,0,0|2,0,0]=4 7387 B14R2.5637 N[C@H]1CCCOc2ccc(Cl)cc21 Amb27827662 [0,1,0,1,0,0|2,0,0]=4 7388 B14R2.5637 N[C@H]1CCSCc2ccc(Br)cc21 Amb27772726 [0,1,0,1,0,0|2,0,0]=4 7389 B14R2.5637 N[C@H]1CCSCc2ccc(Cl)cc21 Amb27758948 [0,1,0,1,0,0|2,0,0]=4 7390 B14R2.5637 Nc1ccc2c(c1)C(=O)CCCC2 Amb4012912 [0,1,0,1,0,0|0,0,2]=4 7391 B14R2.5637 Nc1ccc2c(c1)C(N)CCCC2 Amb28281012 [0,1,0,1,0,0|1,0,0]=3 7392 B14R2.5637 Nc1ccc2c(c1)C(O)CCCC2 Amb24563837 [0,1,0,1,0,0|0,0,0]=2 7393 B14R2.5637 O=C1CCCCc2ccc(Br)cc21 Amb17087862 [0,1,0,1,0,0|0,0,2]=4 7394 B14R2.5637 O=C1CCCCc2ccc(Cl)cc21 Amb17087861 [0,1,0,1,0,0|0,0,2]=4 7395 B14R2.5637 O=C1CCCCc2ccc(F)cc21 Amb4605942 [0,1,0,1,0,0|0,0,2]=4 7396 B14R2.5637 O=C1CCCCc2ccc(O)cc21 Amb26304278 [0,1,0,1,0,0|0,0,2]=4 7397 B14R2.5637 OC1CCCCc2ccc(Br)cc21 Amb26442746 [0,1,0,1,0,0|0,0,0]=2 7398 B14R2.5637 OC1CCCCc2ccc(Cl)cc21 Amb17087908 [0,1,0,1,0,0|0,0,0]=2 7399 B14R2.5637 OC1CCCCc2ccc(F)cc21 Amb17087907 [0,1,0,1,0,0|0,0,0]=2 7400 B14R2.5637 OC1CCCNc2ccc(Cl)cc21 Amb27750755 [0,1,0,1,0,0|1,0,0]=3 7401 B14R2.5637 OC1CCCNc2ccc(F)cc21 Amb26078000 [0,1,0,1,0,0|1,0,0]=3 7402 B14R2.5637 OC1CCCOc2ccc(Br)cc21 Amb17582346 [0,1,0,1,0,0|1,0,0]=3 7403 B14R2.5637 OC1CCNCc2ccc(F)cc21 Amb28188888 [0,1,0,1,0,0|1,0,0]=3 7404 B14R2.5637 OC1CCSCc2ccc(Br)cc21 Amb28349437 [0,1,0,1,0,0|1,0,0]=3 7405 B14R2.5637 OC1CCSCc2ccc(F)cc21 Amb27661627 [0,1,0,1,0,0|1,0,0]=3 7406 B14R2.5637 O[C@@H]1CCCCc2ccc(Br)cc21 Amb28143239 [0,1,0,1,0,0|0,0,0]=2 7407 B14R2.5637 O[C@@H]1CCCCc2ccc(Cl)cc21 Amb27592064 [0,1,0,1,0,0|0,0,0]=2 7408 B14R2.5637 O[C@@H]1CCCOc2ccc(Br)cc21 Amb27831199 [0,1,0,1,0,0|1,0,0]=3 7409 B14R2.5637 O[C@@H]1CCCOc2ccc(Cl)cc21 Amb28064421 [0,1,0,1,0,0|1,0,0]=3 7410 B14R2.5637 O[C@@H]1CCCOc2ccc(F)cc21 Amb27757468 [0,1,0,1,0,0|1,0,0]=3 7411 B14R2.5637 O[C@H]1CCCCc2ccc(Cl)cc21 Amb27270697 [0,1,0,1,0,0|0,0,0]=2 7412 B14R2.5637 O[C@H]1CCCOc2ccc(Br)cc21 Amb27758481 [0,1,0,1,0,0|1,0,0]=3 7413 B14R2.5637 O[C@H]1CCSCc2ccc(Br)cc21 Amb27598736 [0,1,0,1,0,0|1,0,0]=3 7414 B14R2.5637 O[C@H]1CCSCc2ccc(Cl)cc21 Amb27218688 [0,1,0,1,0,0|1,0,0]=3 7415 B14R2.5637 O[C@H]1CCSCc2ccc(F)cc21 Amb28064427 [0,1,0,1,0,0|1,0,0]=3 7416 B14R2.5637 Oc1ccc2c(c1)C(F)CCCN2 Amb27441173 [0,1,0,1,0,0|2,0,0]=4 7417 B14R2.6419 CCCC1CNc2ccc(Br)cc21 Amb26350506 [0,1,0,1,0,0|2,0,0]=4 7418 B14R2.6419 CCCC1CNc2ccc(C)cc21 Amb26859593 [0,1,0,1,0,0|2,0,0]=4 7419 B14R2.6419 CCCC1CNc2ccc(Cl)cc21 Amb25131406 [0,1,0,1,0,0|2,0,0]=4 7420 B14R2.6419 CCCC1CNc2ccc(F)cc21 Amb24556295 [0,1,0,1,0,0|2,0,0]=4 7421 B14R2.6419 CCCC1CNc2ccc(N)cc21 Amb32658293 [0,1,0,1,0,0|2,0,0]=4 7422 B14R2.6419 CCCC1CNc2ccc(O)cc21 Amb32658311 [0,1,0,1,0,0|2,0,0]=4 7423 B14R2.6419 CCCN1CCc2ccc(Br)cc21 Amb27188872 [0,1,0,1,0,0|2,0,0]=4 7424 B14R2.6419 CCCN1CCc2ccc(Cl)cc21 Amb28293754 [0,1,0,1,0,0|2,0,0]=4 7425 B14R2.6419 CCCN1CCc2ccc(F)cc21 Amb27833340 [0,1,0,1,0,0|2,0,0]=4 7426 B14R2.6419 CCCN1CCc2ccc(N)cc21 Amb6683308 [0,1,0,1,0,0|2,0,0]=4 7427 B14R2.6419 CCNC1CCc2ccc(Br)cc21 Amb27442911 [0,1,0,1,0,0|2,0,0]=4 7428 B14R2.6419 CCNC1CCc2ccc(C)cc21 Amb18282870 [0,1,0,1,0,0|2,0,0]=4 7429 B14R2.6419 CCNC1CCc2ccc(Cl)cc21 Amb18318034 [0,1,0,1,0,0|2,0,0]=4 7430 B14R2.6419 CCNC1CCc2ccc(O)cc21 Amb27233437 [0,1,0,1,0,0|2,0,0]=4 7431 B14R2.6419 CCSC1CCc2ccc(F)cc21 Amb28137591 [0,1,0,1,0,0|2,0,0]=4 7432 B14R2.6419 Cc1ccc2c(c1)C(CC#N)CC2 Amb28322813 [0,1,0,1,0,0|1,0,1]=4 7433 B14R2.6419 Cc1ccc2c(c1)C(CCN)CC2 Amb17233149 [0,1,0,1,0,0|1,0,0]=3 7434 B14R2.6419 Cc1ccc2c(c1)C(CCN)CN2 Amb18560683 [0,1,0,1,0,0|2,0,0]=4 7435 B14R2.6419 Cc1ccc2c(c1)C(CCN)CO2 Amb26647464 [0,1,0,1,0,0|2,0,0]=4 7436 B14R2.6419 Cc1ccc2c(c1)C(CCO)CC2 Amb17233223 [0,1,0,1,0,0|0,0,0]=2 7437 B14R2.6419 Cc1ccc2c(c1)C(CCO)CN2 Amb18063471 [0,1,0,1,0,0|1,0,0]=3 7438 B14R2.6419 Cc1ccc2c(c1)N(CCN)CC2 Amb25816940 [0,1,0,1,0,0|2,0,0]=4 7439 B14R2.6419 Cc1ccc2c(c1)N(CCN)CC2 Amb27764526 [0,1,0,1,0,0|2,0,0]=4 7440 B14R2.6419 FCCN1CCc2ccc(F)cc21 Amb27261036 [0,1,0,1,0,0|2,0,0]=4 7441 B14R2.6419 Fc1ccc2c(c1)N(CCBr)CC2 Amb27878154 [0,1,0,1,0,0|2,0,0]=4 7442 B14R2.6419 Fc1ccc2c(c1)N(CCI)CC2 Amb28280655 [0,1,0,1,0,0|2,0,0]=4 7443 B14R2.6419 NCCC1CCc2ccc(Cl)cc21 Amb17236342 [0,1,0,1,0,0|1,0,0]=3 7444 B14R2.6419 NCCC1CCc2ccc(F)cc21 Amb17233553 [0,1,0,1,0,0|1,0,0]=3 7445 B14R2.6419 NCCC1CN=C2C=CC(=O)C=C21 Amb28118890 [0,1,0,1,0,0|2,0,0]=4 7446 B14R2.6419 NCCC1CNc2ccc(Br)cc21 Amb18560689 [0,1,0,1,0,0|2,0,0]=4 7447 B14R2.6419 NCCC1CNc2ccc(Cl)cc21 Amb18560688 [0,1,0,1,0,0|2,0,0]=4 7448 B14R2.6419 NCCC1CNc2ccc(F)cc21 Amb18560687 [0,1,0,1,0,0|2,0,0]=4 7449 B14R2.6419 NCCC1CNc2ccc(O)cc21 Amb27400672 [0,1,0,1,0,0|2,0,0]=4 7450 B14R2.6419 NCCC1COc2ccc(Br)cc21 Amb24733742 [0,1,0,1,0,0|2,0,0]=4 7451 B14R2.6419 NCCC1COc2ccc(Cl)cc21 Amb26022192 [0,1,0,1,0,0|2,0,0]=4 7452 B14R2.6419 NCCC1COc2ccc(F)cc21 Amb26040089 [0,1,0,1,0,0|2,0,0]=4 7453 B14R2.6419 NCCN1CCc2ccc(Cl)cc21 Amb25942949 [0,1,0,1,0,0|2,0,0]=4 7454 B14R2.6419 NCCN1CCc2ccc(F)cc21 Amb24602314 [0,1,0,1,0,0|2,0,0]=4 7455 B14R2.6419 Nc1ccc2c(c1)N(CCO)CC2 Amb6702420 [0,1,0,1,0,0|1,0,0]=3 7456 B14R2.6419 OCCC1CCc2ccc(Cl)cc21 Amb17236514 [0,1,0,1,0,0|0,0,0]=2 7457 B14R2.6419 OCCC1CCc2ccc(F)cc21 Amb17233682 [0,1,0,1,0,0|0,0,0]=2 7458 B14R2.6419 OCCC1CNc2ccc(Br)cc21 Amb18561216 [0,1,0,1,0,0|1,0,0]=3 7459 B14R2.6419 OCCC1CNc2ccc(Cl)cc21 Amb18561215 [0,1,0,1,0,0|1,0,0]=3 7460 B14R2.6419 OCCC1CNc2ccc(F)cc21 Amb18561214 [0,1,0,1,0,0|1,0,0]=3 7461 B14R2.10541 CCCNC1Cc2ccc(F)cc21 Amb32721676 [0,1,0,1,0,0|2,0,0]=4 7462 B14R2.10541 OCCCC1Cc2ccc(O)cc21 Amb28202093 [0,1,0,1,0,0|0,0,0]=2 7463 B14R2.10626 Brc1ccc(CCC2CCN2)cc1 Amb33332199 [0,1,0,1,0,0|1,0,0]=3 7464 B14R2.10626 Brc1ccc(CCC2CNC2)cc1 Amb24563534 [0,1,0,1,0,0|2,0,0]=4 7465 B14R2.10626 Cc1ccc(CCN2CCC2)cc1 Amb27261147 [0,1,0,1,0,0|2,0,0]=4 7466 B14R2.10626 Cc1ccc(CNC2CCC2)cc1 Amb18989339 [0,1,0,1,0,0|2,0,0]=4 7467 B14R2.10626 Cc1ccc(SCC2CCC2)cc1 Amb27599174 [0,1,0,1,0,0|2,0,0]=4 7468 B14R2.10626 Clc1ccc(CCC2CNC2)cc1 Amb27875238 [0,1,0,1,0,0|2,0,0]=4 7469 B14R2.10626 Clc1ccc(CNC2CCC2)cc1 Amb8383621 [0,1,0,1,0,0|2,0,0]=4 7470 B14R2.10626 Clc1ccc(NCC2CCC2)cc1 Amb4313903 [0,1,0,1,0,0|2,0,0]=4 7471 B14R2.10626 Fc1ccc(CCC2CCN2)cc1 Amb33320640 [0,1,0,1,0,0|1,0,0]=3 7472 B14R2.10626 Fc1ccc(CCC2CNC2)cc1 Amb24514081 [0,1,0,1,0,0|2,0,0]=4 7473 B14R2.10626 Fc1ccc(CNC2CCC2)cc1 Amb18296787 [0,1,0,1,0,0|2,0,0]=4 7474 B14R2.10626 Fc1ccc(NCC2CCC2)cc1 Amb4313909 [0,1,0,1,0,0|2,0,0]=4 7475 B14R2.10626 Fc1ccc(OCC2CCC2)cc1 Amb27952073 [0,1,0,1,0,0|2,0,0]=4 7476 B14R2.10626 Ic1ccc(COC2CCC2)cc1 Amb27495258 [0,1,0,1,0,0|2,0,0]=4 7477 B14R2.10626 Ic1ccc(OCC2CCC2)cc1 Amb23570668 [0,1,0,1,0,0|2,0,0]=4 7478 B14R2.10626 Nc1ccc(CCN2CCC2)cc1 Amb27402641 [0,1,0,1,0,0|2,0,0]=4 7479 B14R2.10626 Nc1ccc(COC2CCC2)cc1 Amb18295622 [0,1,0,1,0,0|2,0,0]=4 7480 B14R2.10626 Nc1ccc(OCC2CCC2)cc1 Amb23443767 [0,1,0,1,0,0|2,0,0]=4 7481 B14R2.10626 O=C1C=CN(CCC2CCC2)C=C1 Amb27779788 [0,1,0,1,0,0|2,0,0]=4 7482 B14R2.11684 CCC1CNCc2ccc(Br)cc21 Amb27622514 [0,1,0,1,0,0|2,0,0]=4 7483 B14R2.11684 CCC1CNCc2ccc(Cl)cc21 Amb27963913 [0,1,0,1,0,0|2,0,0]=4 7484 B14R2.11684 CCC1CNCc2ccc(F)cc21 Amb24579790 [0,1,0,1,0,0|2,0,0]=4 7485 B14R2.11684 CCC1NCCc2ccc(C)cc21 Amb5735687 [0,1,0,1,0,0|2,0,0]=4 7486 B14R2.11684 CCC1NCCc2ccc(Cl)cc21 Amb19064469 [0,1,0,1,0,0|2,0,0]=4 7487 B14R2.11684 CCC1NCCc2ccc(F)cc21 Amb18280062 [0,1,0,1,0,0|2,0,0]=4 7488 B14R2.11684 CCN1CCCc2ccc(F)cc21 Amb25119797 [0,1,0,1,0,0|2,0,0]=4 7489 B14R2.11684 CCN1CCCc2ccc(N)cc21 Amb8395183 [0,1,0,1,0,0|2,0,0]=4 7490 B14R2.11684 CCN1CCCc2ccc(O)cc21 Amb18053782 [0,1,0,1,0,0|2,0,0]=4 7491 B14R2.11684 CNC1CCCc2ccc(Br)cc21 Amb27457188 [0,1,0,1,0,0|2,0,0]=4 7492 B14R2.11684 CNC1CCCc2ccc(C)cc21 Amb18948183 [0,1,0,1,0,0|2,0,0]=4 7493 B14R2.11684 Cc1ccc2c(c1)C(C#N)CCC2 Amb17232833 [0,1,0,1,0,0|1,0,1]=4 7494 B14R2.11684 Cc1ccc2c(c1)C(CN)CCC2 Amb17233153 [0,1,0,1,0,0|1,0,0]=3 7495 B14R2.11684 Cc1ccc2c(c1)C(CN)CCN2 Amb18062758 [0,1,0,1,0,0|2,0,0]=4 7496 B14R2.11684 Cc1ccc2c(c1)C(CN)CCO2 Amb17233304 [0,1,0,1,0,0|2,0,0]=4 7497 B14R2.11684 Cc1ccc2c(c1)C(CN)CCS2 Amb18190084 [0,1,0,1,0,0|2,0,0]=4 7498 B14R2.11684 Cc1ccc2c(c1)C(CO)CCN2 Amb25283067 [0,1,0,1,0,0|1,0,0]=3 7499 B14R2.11684 Cc1ccc2c(c1)[C@@H](CO)NCC2 Amb28070733 [0,1,0,1,0,0|1,0,0]=3 7500 B14R2.11684 FCC1NCCc2ccc(Cl)cc21 Amb27842277 [0,1,0,1,0,0|2,0,0]=4 7501 B14R2.11684 N#CC1CCCc2ccc(Cl)cc21 Amb17235305 [0,1,0,1,0,0|1,0,1]=4 7502 B14R2.11684 N#CC1CCCc2ccc(F)cc21 Amb17233075 [0,1,0,1,0,0|1,0,1]=4 7503 B14R2.11684 NCC1CCCc2ccc(Br)cc21 Amb27867453 [0,1,0,1,0,0|1,0,0]=3 7504 B14R2.11684 NCC1CCCc2ccc(Cl)cc21 Amb17236344 [0,1,0,1,0,0|1,0,0]=3 7505 B14R2.11684 NCC1CCCc2ccc(Cl)cc21 Amb22901045 [0,1,0,1,0,0|1,0,0]=3 7506 B14R2.11684 NCC1CCCc2ccc(F)cc21 Amb17233555 [0,1,0,1,0,0|1,0,0]=3 7507 B14R2.11684 NCC1CCNc2ccc(Br)cc21 Amb18156315 [0,1,0,1,0,0|2,0,0]=4 7508 B14R2.11684 NCC1CCNc2ccc(Cl)cc21 Amb18560254 [0,1,0,1,0,0|2,0,0]=4 7509 B14R2.11684 NCC1CCNc2ccc(F)cc21 Amb18560253 [0,1,0,1,0,0|2,0,0]=4 7510 B14R2.11684 NCC1CCNc2ccc(O)cc21 Amb18195215 [0,1,0,1,0,0|2,0,0]=4 7511 B14R2.11684 NCC1CCOc2ccc(Br)cc21 Amb18156031 [0,1,0,1,0,0|2,0,0]=4 7512 B14R2.11684 NCC1CCOc2ccc(Br)cc21 Amb35747776 [0,1,0,1,0,0|2,0,0]=4 7513 B14R2.11684 NCC1CCOc2ccc(Cl)cc21 Amb17236673 [0,1,0,1,0,0|2,0,0]=4 7514 B14R2.11684 NCC1CCOc2ccc(F)cc21 Amb17233792 [0,1,0,1,0,0|2,0,0]=4 7515 B14R2.11684 NCC1CCOc2ccc(N)cc21 Amb32724268 [0,1,0,1,0,0|2,0,0]=4 7516 B14R2.11684 NCC1CCOc2ccc(O)cc21 Amb18194733 [0,1,0,1,0,0|2,0,0]=4 7517 B14R2.11684 NCC1CCSc2ccc(Cl)cc21 Amb18173020 [0,1,0,1,0,0|2,0,0]=4 7518 B14R2.11684 NCC1CCSc2ccc(F)cc21 Amb18188366 [0,1,0,1,0,0|2,0,0]=4 7519 B14R2.11684 NCC1CCSc2ccc(O)cc21 Amb18189268 [0,1,0,1,0,0|2,0,0]=4 7520 B14R2.11684 NC[C@H]1CCOc2ccc(Br)cc21 Amb32696864 [0,1,0,1,0,0|2,0,0]=4 7521 B14R2.11684 Nc1ccc2c(c1)[C@H](CO)NCC2 Amb27664429 [0,1,0,1,0,0|1,0,0]=3 7522 B14R2.11684 OCC1CCNc2ccc(Br)cc21 Amb25071521 [0,1,0,1,0,0|1,0,0]=3 7523 B14R2.11684 OCC1CCNc2ccc(Cl)cc21 Amb26867160 [0,1,0,1,0,0|1,0,0]=3 7524 B14R2.11684 OCC1CCNc2ccc(F)cc21 Amb28256815 [0,1,0,1,0,0|1,0,0]=3 7525 B14R2.11684 OCC1CCOc2ccc(Cl)cc21 Amb28065067 [0,1,0,1,0,0|1,0,0]=3 7526 B14R2.11684 OCC1NCCc2ccc(Br)cc21 Amb24701189 [0,1,0,1,0,0|1,0,0]=3 7527 B14R2.11684 OCC1NCCc2ccc(I)cc21 Amb27618534 [0,1,0,1,0,0|1,0,0]=3 7528 B14R2.11684 OCC1NCCc2ccc(O)cc21 Amb27587306 [0,1,0,1,0,0|1,0,0]=3 7529 B14R2.11684 OC[C@@H]1NCCc2ccc(Br)cc21 Amb27780212 [0,1,0,1,0,0|1,0,0]=3 7530 B14R2.11684 OC[C@H]1NCCc2ccc(Br)cc21 Amb27653361 [0,1,0,1,0,0|1,0,0]=3 7531 B14R2.11684 OC[C@H]1NCCc2ccc(I)cc21 Amb27234974 [0,1,0,1,0,0|1,0,0]=3 7532 B14R2.11684 OC[C@H]1NCCc2ccc(O)cc21 Amb27762467 [0,1,0,1,0,0|1,0,0]=3 7533 B14R2.11684 ONC1CCSc2ccc(Cl)cc21 Amb27883342 [0,1,0,1,0,0|2,0,0]=4 7534 B14R2.11684 O\N=C1\CCCc2ccc(Br)cc21 Amb27826291 [0,1,0,1,0,0|1,0,1]=4 7535 B14R2.8 BrCC1CC(c2ccccc2)CO1 Amb27751749 [0,1,0,1,0,0|2,0,0]=4 7536 B14R2.8 BrCC1CCC(c2ccccc2)C1 Amb25118230 [0,1,0,1,0,0|1,0,0]=3 7537 B14R2.8 BrCC1CCN(c2ccccc2)C1 Amb35751646 [0,1,0,1,0,0|2,0,0]=4 7538 B14R2.8 BrCC1CCN(c2ccccc2)C1 Amb35752084 [0,1,0,1,0,0|2,0,0]=4 7539 B14R2.8 BrC[C@H]1CC[C@H](c2ccccc2)C1 Amb32663664 [0,1,0,1,0,0|1,0,0]=3 7540 B14R2.8 CCC1CNC(c2ccccc2)O1 Amb27803845 [0,1,0,1,0,0|2,0,0]=4 7541 B14R2.8 CCC1CSC(c2ccccc2)N1 Amb27180772 [0,1,0,1,0,0|2,0,0]=4 7542 B14R2.8 CCC1NCC(c2ccccc2)O1 Amb28054826 [0,1,0,1,0,0|2,0,0]=4 7543 B14R2.8 CCC1OCC(c2ccccc2)O1 Amb4036253 [0,1,0,1,0,0|2,0,0]=4 7544 B14R2.8 CC[C@H]1COC(c2ccccc2)N1 Amb27415519 [0,1,0,1,0,0|2,0,0]=4 7545 B14R2.8 CNC1CCC(c2ccccc2)C1 Amb18065568 [0,1,0,1,0,0|2,0,0]=4 7546 B14R2.8 ClCC1CNC(c2ccccc2)O1 Amb22330510 [0,1,0,1,0,0|2,0,0]=4 7547 B14R2.8 ClCC1COC(c2ccccc2)O1 Amb534375 [0,1,0,1,0,0|2,0,0]=4 7548 B14R2.8 ClCC1NCC(c2ccccc2)O1 Amb27179150 [0,1,0,1,0,0|2,0,0]=4 7549 B14R2.8 ClC[C@@H]1CO[C@H](c2ccccc2)O1 Amb28076704 [0,1,0,1,0,0|2,0,0]=4 7550 B14R2.8 ClC[C@@H]1CS[C@@H](c2ccccc2)O1 Amb27623218 [0,1,0,1,0,0|2,0,0]=4 7551 B14R2.8 ClC[C@H]1COC(c2ccccc2)O1 Amb28195089 [0,1,0,1,0,0|2,0,0]=4 7552 B14R2.8 ClC[C@H]1CS[C@@H](c2ccccc2)O1 Amb28053533 [0,1,0,1,0,0|2,0,0]=4 7553 B14R2.8 ICC1CCC(c2ccccc2)O1 Amb24744199 [0,1,0,1,0,0|1,0,0]=3 7554 B14R2.8 NCC1CC(c2ccccc2)CO1 Amb32665180 [0,1,0,1,0,0|2,0,0]=4 7555 B14R2.8 NCC1CCC(c2ccccc2)C1 Amb18065570 [0,1,0,1,0,0|1,0,0]=3 7556 B14R2.8 NCC1CCC(c2ccccc2)O1 Amb25060147 [0,1,0,1,0,0|1,0,0]=3 7557 B14R2.8 NCC1CCC(c2ccccc2)O1 Amb32664686 [0,1,0,1,0,0|1,0,0]=3 7558 B14R2.8 NCC1CCC(c2cccnc2)O1 Amb27415714 [0,1,0,1,0,0|2,0,0]=4 7559 B14R2.8 NCC1CCN(c2ccccc2)C1 Amb32409619 [0,1,0,1,0,0|2,0,0]=4 7560 B14R2.8 NCC1CCN(c2ccccc2)C1 Amb5494207 [0,1,0,1,0,0|2,0,0]=4 7561 B14R2.8 NC[C@@H]1CC[C@@H](c2ccccc2)O1 Amb25996890 [0,1,0,1,0,0|1,0,0]=3 7562 B14R2.8 NC[C@@H]1CC[C@@H](c2ccccc2)O1 Amb32653288 [0,1,0,1,0,0|1,0,0]=3 7563 B14R2.8 NC[C@@H]1CC[C@H](c2ccccc2)O1 Amb26542098 [0,1,0,1,0,0|1,0,0]=3 7564 B14R2.8 NC[C@@H]1CC[C@H](c2ccccc2)O1 Amb32653422 [0,1,0,1,0,0|1,0,0]=3 7565 B14R2.8 NC[C@@H]1C[C@@H](c2ccccc2)CO1 Amb32665182 [0,1,0,1,0,0|2,0,0]=4 7566 B14R2.8 NC[C@@H]1C[C@H](c2ccccc2)CO1 Amb32665181 [0,1,0,1,0,0|2,0,0]=4 7567 B14R2.8 NC[C@H]1CC[C@@H](c2ccccc2)O1 Amb28429867 [0,1,0,1,0,0|1,0,0]=3 7568 B14R2.8 NC[C@H]1CC[C@H](c2ccccc2)O1 Amb28072958 [0,1,0,1,0,0|1,0,0]=3 7569 B14R2.8 NC[C@H]1CC[C@H](c2ccccc2)O1 Amb28945045 [0,1,0,1,0,0|1,0,0]=3 7570 B14R2.8 O=C[C@@H]1CC[C@@H](c2ccccc2)O1 Amb27788141 [0,1,0,1,0,0|0,0,2]=4 7571 B14R2.8 OCC1C=CC(c2ccccc2)O1 Amb28400965 [0,1,0,1,0,0|0,0,2]=4 7572 B14R2.8 OCC1CC=C(c2ccccc2)C1 Amb27978276 [0,1,0,1,0,0|0,0,2]=4 7573 B14R2.8 OCC1CCC(c2ccccc2)C1 Amb27415089 [0,1,0,1,0,0|0,0,0]=2 7574 B14R2.8 OCC1CCC(c2ccccc2)O1 Amb24593841 [0,1,0,1,0,0|0,0,0]=2 7575 B14R2.8 OCC1CCC(c2ccccn2)O1 Amb27646283 [0,1,0,1,0,0|1,0,0]=3 7576 B14R2.8 OCC1CCC(c2cnccn2)O1 Amb35600866 [0,1,0,1,0,0|2,0,0]=4 7577 B14R2.8 OCC1CCC(c2cncnc2)O1 Amb27874365 [0,1,0,1,0,0|2,0,0]=4 7578 B14R2.8 OCC1CCN(c2ccccc2)C1 Amb5494204 [0,1,0,1,0,0|1,0,0]=3 7579 B14R2.8 OCC1CCN(c2ccccn2)C1 Amb18184360 [0,1,0,1,0,0|2,0,0]=4 7580 B14R2.8 OCC1CCN(c2cccnc2)C1 Amb27648644 [0,1,0,1,0,0|2,0,0]=4 7581 B14R2.8 OCC1CCN(c2ccncc2)C1 Amb18184361 [0,1,0,1,0,0|2,0,0]=4 7582 B14R2.8 OCC1COC(c2ccccc2)=N1 Amb25763039 [0,1,0,1,0,0|1,0,1]=4 7583 B14R2.8 OCC1COC(c2ccccc2)C1 Amb27206483 [0,1,0,1,0,0|1,0,0]=3 7584 B14R2.8 OCC1COC(c2ccccc2)O1 Amb17335395 [0,1,0,1,0,0|1,0,0]=3 7585 B14R2.8 OCC1COC(c2ccccn2)O1 Amb17335468 [0,1,0,1,0,0|2,0,0]=4 7586 B14R2.8 OCC1CSC(c2ccccc2)N1 Amb27647577 [0,1,0,1,0,0|1,0,0]=3 7587 B14R2.8 OCC1CSC(c2ccccc2)S1 Amb27587370 [0,1,0,1,0,0|1,0,0]=3 7588 B14R2.8 OC[C@@H]1CC[C@@H](c2ccccc2)C1 Amb26389433 [0,1,0,1,0,0|0,0,0]=2 7589 B14R2.8 OC[C@@H]1CC[C@@H](c2ccccc2)N1 Amb27767932 [0,1,0,1,0,0|0,0,0]=2 7590 B14R2.8 OC[C@@H]1COC(c2ccccc2)=N1 Amb24705593 [0,1,0,1,0,0|1,0,1]=4 7591 B14R2.8 OC[C@H]1C=C[C@H](c2ccccc2)O1 Amb27983219 [0,1,0,1,0,0|0,0,2]=4 7592 B14R2.8 OC[C@H]1CC[C@@H](c2ccccc2)N1 Amb28051815 [0,1,0,1,0,0|0,0,0]=2 7593 B14R2.8 OC[C@H]1CC[C@H](c2ccccc2)N1 Amb27866302 [0,1,0,1,0,0|0,0,0]=2 7594 B14R2.8 OC[C@H]1CSC(c2ccccc2)=N1 Amb28350131 [0,1,0,1,0,0|1,0,1]=4 7595 B14R2.8 OC[C@H]1C[C@@H](c2ccccc2)CN1 Amb27433898 [0,1,0,1,0,0|1,0,0]=3 7596 B14R2.8 OC[C@H]1C[C@H](c2ccccc2)CO1 Amb27448783 [0,1,0,1,0,0|1,0,0]=3 7597 B14R2.8 O\N=C1\CCC(c2ccccc2)C1 Amb27226256 [0,1,0,1,0,0|1,0,1]=4 7598 B14R2.41 CNCC1CC(c2ccccc2)C1 Amb27806488 [0,1,0,1,0,0|2,0,0]=4 7599 B14R2.41 ClCCN1CC(c2ccccc2)C1 Amb28458512 [0,1,0,1,0,0|2,0,0]=4 7600 B14R2.66 CO\N=C\[C@@H]1C[C@H]1c2ccccc2 Amb27261641 [0,1,0,1,0,0|1,0,1]=4 7601 B14R2.66 ClC\C=N\C1CC1c2ccccc2 Amb27878636 [0,1,0,1,0,0|1,0,1]=4 7602 B14R2.66 N#CCCC1CC1c2ccccc2 Amb32669162 [0,1,0,1,0,0|1,0,0]=3 7603 B14R2.66 O=CCCC1CC1c2ccccc2 Amb32669165 [0,1,0,1,0,0|0,0,1]=3 7604 B14R2.66 O=CNCC1CC1c2ccccc2 Amb28145462 [0,1,0,1,0,0|0,0,2]=4 7605 B14R2.66 OC\C=C\C1OC1c2ccccc2 Amb27969017 [0,1,0,1,0,0|0,0,2]=4 7606 B14R2.66 OC\C=C\[C@@H]1C[C@@H]1c2ccccc2 Amb28435157 [0,1,0,1,0,0|0,0,1]=3 7607 B14R2.66 OC\C=C\[C@H]1C[C@H]1c2ccccc2 Amb28455183 [0,1,0,1,0,0|0,0,1]=3 7608 B14R2.114 C=C(c1ccccc1)C2CCCC2 Amb4035619 [0,1,0,1,0,0|1,0,1]=4 7609 B14R2.114 CC(c1ccccc1)C2CCCN2 Amb23536676 [0,1,0,1,0,0|1,0,0]=3 7610 B14R2.114 CC(c1ccccc1)C2CCNC2 Amb18197082 [0,1,0,1,0,0|2,0,0]=4 7611 B14R2.114 CC(c1ccccc1)C2CCNC2 Amb33482692 [0,1,0,1,0,0|2,0,0]=4 7612 B14R2.114 CC(c1ccccc1)C2NCCS2 Amb18321178 [0,1,0,1,0,0|1,1,0]=4 7613 B14R2.114 CC(c1ccccc1)C2OCCO2 Amb575774 [0,1,0,1,0,0|1,0,0]=3 7614 B14R2.114 CC(c1ccccc1)N2CCCO2 Amb28324710 [0,1,0,1,0,0|1,0,0]=3 7615 B14R2.114 ClC(B1OCCO1)c2ccccc2 Amb28250924 [0,1,0,1,0,0|2,0,0]=4 7616 B14R2.114 ClC(c1ccccn1)C2CCCO2 Amb27955987 [0,1,0,1,0,0|1,0,0]=3 7617 B14R2.114 FC(c1ccccc1)C2CCNC2 Amb28248712 [0,1,0,1,0,0|2,0,0]=4 7618 B14R2.114 NC(c1ccccc1)C2CCCC2 Amb33548092 [0,1,0,1,0,0|1,0,0]=3 7619 B14R2.114 NC(c1ccccc1)C2CCCC2 Amb9717938 [0,1,0,1,0,0|1,0,0]=3 7620 B14R2.114 NC(c1ccccc1)C2CCCO2 Amb10609099 [0,1,0,1,0,0|0,0,0]=2 7621 B14R2.114 NC(c1ccccc1)C2CCCO2 Amb9717761 [0,1,0,1,0,0|0,0,0]=2 7622 B14R2.114 NC(c1ccccc1)C2CCNC2 Amb18196474 [0,1,0,1,0,0|2,0,0]=4 7623 B14R2.114 NC(c1ccccc1)C2CCOC2 Amb18952434 [0,1,0,1,0,0|2,0,0]=4 7624 B14R2.114 NC(c1ccccc1)C2CCOC2 Amb33291311 [0,1,0,1,0,0|2,0,0]=4 7625 B14R2.114 NC(c1ccccc1)N2CCCC2 Amb27881547 [0,1,0,1,0,0|2,0,0]=4 7626 B14R2.114 NC(c1ccccn1)C2CCCC2 Amb18281183 [0,1,0,1,0,0|2,0,0]=4 7627 B14R2.114 NC(c1cccnc1)C2CCCC2 Amb18949709 [0,1,0,1,0,0|2,0,0]=4 7628 B14R2.114 NC(c1cccnc1)C2CCCC2 Amb35745589 [0,1,0,1,0,0|2,0,0]=4 7629 B14R2.114 NC(c1cnccn1)C2CCCO2 Amb27431148 [0,1,0,1,0,0|2,0,0]=4 7630 B14R2.114 NC(c1ncccn1)C2CCCO2 Amb32716302 [0,1,0,1,0,0|2,0,0]=4 7631 B14R2.114 N[C@@H](c1cccnc1)C2CCCC2 Amb27162206 [0,1,0,1,0,0|2,0,0]=4 7632 B14R2.114 N[C@H](c1ccccc1)C2CCCC2 Amb27788456 [0,1,0,1,0,0|1,0,0]=3 7633 B14R2.114 O=C(c1ccccc1)C2CCCC2 Amb2720859 [0,1,0,1,0,0|1,0,1]=4 7634 B14R2.114 O=C(c1ccccc1)C2CCCN2 Amb17988466 [0,1,0,1,0,0|1,0,1]=4 7635 B14R2.114 O=C(c1ccccc1)C2CCCN2 Amb5739645 [0,1,0,1,0,0|1,0,1]=4 7636 B14R2.114 O=C(c1ccccc1)C2CCCO2 Amb8850443 [0,1,0,1,0,0|0,0,1]=3 7637 B14R2.114 O=C(c1ccccc1)C2CCCS2 Amb28249592 [0,1,0,1,0,0|0,1,1]=4 7638 B14R2.114 O=C(c1ccccc1)C2COCO2 Amb27227237 [0,1,0,1,0,0|1,0,1]=4 7639 B14R2.114 O=C(c1ccccc1)C2OCCO2 Amb28046862 [0,1,0,1,0,0|1,0,1]=4 7640 B14R2.114 O=C(c1ccccc1)[C@@H]2CCCN2 Amb24743535 [0,1,0,1,0,0|1,0,1]=4 7641 B14R2.114 O=C(c1ccccc1)[C@@H]2CCCN2 Amb28600367 [0,1,0,1,0,0|1,0,1]=4 7642 B14R2.114 O=C(c1ccccc1)[C@H]2CCCN2 Amb25175805 [0,1,0,1,0,0|1,0,1]=4 7643 B14R2.114 O=C(c1ccccc1)[C@H]2CCCN2 Amb28839709 [0,1,0,1,0,0|1,0,1]=4 7644 B14R2.114 O=C(c1ccccn1)C2CCCO2 Amb10607967 [0,1,0,1,0,0|1,0,1]=4 7645 B14R2.114 O=C(c1cccnc1)C2CCCO2 Amb27752383 [0,1,0,1,0,0|1,0,1]=4 7646 B14R2.114 O=S(c1ccccc1)N2CCCO2 Amb27191964 [0,1,0,1,0,0|2,0,0]=4 7647 B14R2.114 OC(C1=CCCO1)c2ccccc2 Amb28281111 [0,1,0,1,0,0|0,0,2]=4 7648 B14R2.114 OC(c1ccccc1)C2C=CCC2 Amb27218878 [0,1,0,1,0,0|1,0,1]=4 7649 B14R2.114 OC(c1ccccc1)C2CCCC2 Amb17138792 [0,1,0,1,0,0|1,0,0]=3 7650 B14R2.114 OC(c1ccccc1)C2CCCN2 Amb17138819 [0,1,0,1,0,0|1,0,0]=3 7651 B14R2.114 OC(c1ccccc1)C2CCCN2 Amb33545282 [0,1,0,1,0,0|1,0,0]=3 7652 B14R2.114 OC(c1ccccc1)C2CCNC2 Amb27841619 [0,1,0,1,0,0|2,0,0]=4 7653 B14R2.114 OC(c1ccccc1)C2CCOC2 Amb18790941 [0,1,0,1,0,0|2,0,0]=4 7654 B14R2.114 OC(c1ccccc1)C2COCO2 Amb28185143 [0,1,0,1,0,0|1,0,0]=3 7655 B14R2.114 OC(c1ccccc1)[C@@H]2CCCN2 Amb27608662 [0,1,0,1,0,0|1,0,0]=3 7656 B14R2.114 OC(c1ccccc1)[C@@H]2CCNC2 Amb30039178 [0,1,0,1,0,0|2,0,0]=4 7657 B14R2.114 OC(c1ccccc1)[C@H]2CCNC2 Amb35662315 [0,1,0,1,0,0|2,0,0]=4 7658 B14R2.114 OC(c1ccccn1)C2CCCO2 Amb28190198 [0,1,0,1,0,0|1,0,0]=3 7659 B14R2.114 OC(c1cccnc1)C2CCCC2 Amb17233268 [0,1,0,1,0,0|2,0,0]=4 7660 B14R2.114 OC(c1cccnc1)[C@@H]2CCCN2 Amb27397547 [0,1,0,1,0,0|2,0,0]=4 7661 B14R2.114 OC(c1cccnc1)[C@H]2CCCN2 Amb29891703 [0,1,0,1,0,0|2,0,0]=4 7662 B14R2.114 OC(c1ccncc1)C2CCCC2 Amb18795916 [0,1,0,1,0,0|2,0,0]=4 7663 B14R2.114 OC(c1ccncc1)C2CCCN2 Amb28239724 [0,1,0,1,0,0|2,0,0]=4 7664 B14R2.114 OC(c1cnccn1)C2CCCO2 Amb27454324 [0,1,0,1,0,0|2,0,0]=4 7665 B14R2.114 OC(c1cncnc1)C2CCCO2 Amb28193472 [0,1,0,1,0,0|2,0,0]=4 7666 B14R2.114 O[C@@H](c1ccccc1)[C@@H]2CCCN2 Amb27244166 [0,1,0,1,0,0|1,0,0]=3 7667 B14R2.114 O[C@@H](c1ccccc1)[C@H]2CCCN2 Amb25238672 [0,1,0,1,0,0|1,0,0]=3 7668 B14R2.114 O[C@@H](c1ccccc1)[C@H]2CCCN2 Amb32667633 [0,1,0,1,0,0|1,0,0]=3 7669 B14R2.114 O[C@H](c1ccccc1)[C@@H]2CCCN2 Amb25294762 [0,1,0,1,0,0|1,0,0]=3 7670 B14R2.114 O[C@H](c1ccccc1)[C@@H]2CCCN2 Amb32667652 [0,1,0,1,0,0|1,0,0]=3 7671 B14R2.317 CC1(c2ccccc2)CCOC1O Amb28206161 [0,1,0,1,0,0|1,0,0]=3 7672 B14R2.317 CC1CCCC1(N)c2ccccc2 Amb28041736 [0,1,0,1,0,0|1,0,0]=3 7673 B14R2.317 CC1CCCC1(N)c2ccncc2 Amb27229914 [0,1,0,1,0,0|2,0,0]=4 7674 B14R2.317 CC1CCCC1(O)c2ccccc2 Amb26628717 [0,1,0,1,0,0|1,0,0]=3 7675 B14R2.317 CC1CNCC1(C)c2ccccc2 Amb27856204 [0,1,0,1,0,0|2,0,0]=4 7676 B14R2.317 CC1COCC1(O)c2ccccc2 Amb29877586 [0,1,0,1,0,0|2,0,0]=4 7677 B14R2.317 CC1CSCC1(O)c2ccccc2 Amb26994970 [0,1,0,1,0,0|2,0,0]=4 7678 B14R2.317 CC1NCCC1(O)c2ccccc2 Amb27259241 [0,1,0,1,0,0|2,0,0]=4 7679 B14R2.317 CC1OCCC1(O)c2ccccc2 Amb28066255 [0,1,0,1,0,0|2,0,0]=4 7680 B14R2.317 CC1SCCC1(O)c2ccccc2 Amb26921619 [0,1,0,1,0,0|2,0,0]=4 7681 B14R2.317 C[C@@H]1CCC[C@@]1(C)c2ccccc2 Amb26431459 [0,1,0,1,0,0|1,0,0]=3 7682 B14R2.317 C[C@H]1CCC[C@@]1(C)c2ccccc2 Amb24589220 [0,1,0,1,0,0|1,0,0]=3 7683 B14R2.317 N[C@@H]1CCC[C@]1(O)c2ccccc2 Amb27983348 [0,1,0,1,0,0|1,0,0]=3 7684 B14R2.317 O=C1CCC[C@]1(O)c2ccccc2 Amb28351684 [0,1,0,1,0,0|0,0,2]=4 7685 B14R2.317 O=P1(c2ccccc2)CCCC1O Amb27207691 [0,1,0,1,0,0|1,0,0]=3 7686 B14R2.317 O=[P@]1(c2ccccc2)CCC[C@@H]1O Amb27220549 [0,1,0,1,0,0|1,0,0]=3 7687 B14R2.317 OC1CCCC1(O)c2ccccc2 Amb28064165 [0,1,0,1,0,0|0,0,0]=2 7688 B14R2.317 OC1CCOC1(O)c2ccccn2 Amb27405295 [0,1,0,1,0,0|2,0,0]=4 7689 B14R2.335 C=C1CCC1C(O)c2ccccc2 Amb27790399 [0,1,0,1,0,0|1,0,1]=4 7690 B14R2.335 CN(c1ccccc1)C2CCC2O Amb27220179 [0,1,0,1,0,0|1,0,0]=3 7691 B14R2.352 CC(N[C@@H]1C[C@H]1C)c2ccccc2 Amb27809313 [0,1,0,1,0,0|2,0,0]=4 7692 B14R2.352 CC1CC1CN(C)c2ccccc2 Amb28063805 [0,1,0,1,0,0|2,0,0]=4 7693 B14R2.510 CC1CN(CCN)c2ccccc21 Amb26059367 [0,1,0,1,0,0|2,0,0]=4 7694 B14R2.510 CC1CN(CCO)c2ccccc21 Amb28344828 [0,1,0,1,0,0|1,0,0]=3 7695 B14R2.510 CCCC1CC(=O)c2ccccc21 Amb17233023 [0,1,0,1,0,0|1,0,1]=4 7696 B14R2.510 CCCC1CC(Br)c2ccccc21 Amb28241992 [0,1,0,1,0,0|1,0,0]=3 7697 B14R2.510 CCCC1CC(Cl)c2ccccc21 Amb28241990 [0,1,0,1,0,0|1,0,0]=3 7698 B14R2.510 CCCN1CC(C)c2ccccc21 Amb27615646 [0,1,0,1,0,0|2,0,0]=4 7699 B14R2.510 CCNC1CC(C)c2ccccc21 Amb28242047 [0,1,0,1,0,0|2,0,0]=4 7700 B14R2.510 CCNC1CC(N)c2ccccc21 Amb27202220 [0,1,0,1,0,0|2,0,0]=4 7701 B14R2.510 CN1CC(CCN)c2ccccc21 Amb13881745 [0,1,0,1,0,0|2,0,0]=4 7702 B14R2.510 CNCC1CC(O)c2ccccc21 Amb17470572 [0,1,0,1,0,0|2,0,0]=4 7703 B14R2.510 NCCC1CC(O)c2ccccc21 Amb17470571 [0,1,0,1,0,0|1,0,0]=3 7704 B14R2.510 OCCC1OB(O)c2ccccc21 Amb28401043 [0,1,0,1,0,0|2,0,0]=4 7705 B14R2.564 CCCC1CC1(N)c2cccnc2 Amb27482153 [0,1,0,1,0,0|2,0,0]=4 7706 B14R2.564 NCCC1CC1(F)c2ccccc2 Amb27646393 [0,1,0,1,0,0|1,0,0]=3 7707 B14R2.564 N[C@]1(c2ccccc2)C[C@H]1CCO Amb27484782 [0,1,0,1,0,0|0,0,0]=2 7708 B14R2.792 CC(CNC1CC1)c2ccccc2 Amb6718813 [0,1,0,1,0,0|2,0,0]=4 7709 B14R2.792 CC(NCC1CC1)c2ccccc2 Amb6537887 [0,1,0,1,0,0|2,0,0]=4 7710 B14R2.792 CC(NCC1CC1)c2ccccc2 Amb9742351 [0,1,0,1,0,0|2,0,0]=4 7711 B14R2.792 O=C(OCC1CO1)c2ccccc2 Amb10789142 [0,1,0,1,0,0|1,0,1]=4 7712 B14R2.792 OC(CCC1CO1)c2ccccc2 Amb32677563 [0,1,0,1,0,0|0,0,0]=2 7713 B14R2.792 OC(CNC1CC1)c2ccccc2 Amb17138815 [0,1,0,1,0,0|2,0,0]=4 7714 B14R2.792 OC(CNC1CC1)c2ccccc2 Amb33548003 [0,1,0,1,0,0|2,0,0]=4 7715 B14R2.794 CC(CC1CNC1)c2ccccc2 Amb24572490 [0,1,0,1,0,0|2,0,0]=4 7716 B14R2.794 ClC(CC1CCC1)c2ccccc2 Amb27828299 [0,1,0,1,0,0|1,0,0]=3 7717 B14R2.794 NC(CC1CCC1)c2ccccc2 Amb27460256 [0,1,0,1,0,0|1,0,0]=3 7718 B14R2.794 NC(CC1CCC1)c2ccccn2 Amb27801053 [0,1,0,1,0,0|2,0,0]=4 7719 B14R2.794 NC(CC1CCC1)c2cccnc2 Amb27181108 [0,1,0,1,0,0|2,0,0]=4 7720 B14R2.794 NC(CC1CCC1)c2ccncc2 Amb27801054 [0,1,0,1,0,0|2,0,0]=4 7721 B14R2.794 N[C@H](CN1CCC1)c2ccccc2 Amb28067812 [0,1,0,1,0,0|2,0,0]=4 7722 B14R2.794 O=C(CC1CCC1)c2ccccc2 Amb24392544 [0,1,0,1,0,0|1,0,1]=4 7723 B14R2.794 OC(CC1CCC1)c2ccncc2 Amb27167160 [0,1,0,1,0,0|2,0,0]=4 7724 B14R2.1131 CC1CCC(CN)c2ccccc21 Amb27241953 [0,1,0,1,0,0|1,0,0]=3 7725 B14R2.1131 CC1CCC(CO)c2ccccc21 Amb28045169 [0,1,0,1,0,0|0,0,0]=2 7726 B14R2.1131 CC1CCC(NN)c2ccccc21 Amb28397929 [0,1,0,1,0,0|2,0,0]=4 7727 B14R2.1131 CC1COC(CCl)c2ccccc21 Amb28245335 [0,1,0,1,0,0|2,0,0]=4 7728 B14R2.1131 CCC1CCC(O)c2ccccc21 Amb27790415 [0,1,0,1,0,0|1,0,0]=3 7729 B14R2.1131 CC[C@H]1CN[C@@H](C)c2ccccc21 Amb27637615 [0,1,0,1,0,0|2,0,0]=4 7730 B14R2.1131 CN1CCC(CN)c2ccccc21 Amb10609073 [0,1,0,1,0,0|2,0,0]=4 7731 B14R2.1131 CN1CCC(CO)c2ccccc21 Amb25689053 [0,1,0,1,0,0|1,0,0]=3 7732 B14R2.1131 CNC1CCC(O)c2ccccc21 Amb27180222 [0,1,0,1,0,0|2,0,0]=4 7733 B14R2.1131 C[C@@H]1CC[C@@H](CO)c2ccccc21 Amb28455579 [0,1,0,1,0,0|0,0,0]=2 7734 B14R2.1131 O=C1NCC(CO)c2ccccc21 Amb28251119 [0,1,0,1,0,0|1,0,1]=4 7735 B14R2.1161 CC(c1ccccc1)C2CC2CN Amb33081880 [0,1,0,1,0,0|1,0,0]=3 7736 B14R2.1161 CC(c1ccccc1)C2CC2CO Amb27757281 [0,1,0,1,0,0|0,0,0]=2 7737 B14R2.1161 CC(c1ccccc1)[C@@H]2C[C@H]2CN Amb33081879 [0,1,0,1,0,0|1,0,0]=3 7738 B14R2.1161 CCC1CC1C(=O)c2ccccc2 Amb27781128 [0,1,0,1,0,0|1,0,1]=4 7739 B14R2.1161 CCC1CC1C(Cl)c2ccccc2 Amb27266174 [0,1,0,1,0,0|1,0,0]=3 7740 B14R2.1161 CCC1CC1C(O)c2ccccc2 Amb27250969 [0,1,0,1,0,0|1,0,0]=3 7741 B14R2.1161 CCC1CC1C(O)c2cccnc2 Amb27860477 [0,1,0,1,0,0|2,0,0]=4 7742 B14R2.1161 CC[C@@H]1C[C@H]1C(=O)c2ccccc2 Amb27212992 [0,1,0,1,0,0|1,0,1]=4 7743 B14R2.1161 COC1CC1C(Br)c2ccccc2 Amb35732109 [0,1,0,1,0,0|2,0,0]=4 7744 B14R2.1161 COC1CC1C(Cl)c2ccccc2 Amb35732120 [0,1,0,1,0,0|2,0,0]=4 7745 B14R2.1161 COC1CC1C(N)c2ccccc2 Amb35732331 [0,1,0,1,0,0|2,0,0]=4 7746 B14R2.1161 COC1CC1C(O)c2ccccc2 Amb35683794 [0,1,0,1,0,0|2,0,0]=4 7747 B14R2.4510 CC1CCCC(=O)c2ccccc21 Amb24534296 [0,1,0,1,0,0|0,0,2]=4 7748 B14R2.4510 CC1CNCC(O)c2ccccc21 Amb27633365 [0,1,0,1,0,0|1,0,0]=3 7749 B14R2.4510 CC1SCC[C@@H](N)c2ccccc21 Amb27235648 [0,1,0,1,0,0|2,0,0]=4 7750 B14R2.4510 CC1SCC[C@@H](O)c2ccccc21 Amb28204443 [0,1,0,1,0,0|1,0,0]=3 7751 B14R2.4510 CC1SCC[C@H](O)c2ccccc21 Amb28139024 [0,1,0,1,0,0|1,0,0]=3 7752 B14R2.4510 CN1CCCC(N)c2ccccc21 Amb18196541 [0,1,0,1,0,0|2,0,0]=4 7753 B14R2.4510 CN1CCCC(N)c2ccccc21 Amb33059721 [0,1,0,1,0,0|2,0,0]=4 7754 B14R2.4510 NC1CCCC(=O)c2ccccc21 Amb27810900 [0,1,0,1,0,0|0,0,2]=4 7755 B14R2.4510 N[C@H]1CCC[C@@H](O)c2ccccc21 Amb27621096 [0,1,0,1,0,0|0,0,0]=2 7756 B14R2.4510 O=C1CCCC(Br)c2ccccc21 Amb32992932 [0,1,0,1,0,0|0,0,2]=4 7757 B14R2.4510 O=C1CCCC(F)c2ccccc21 Amb27421892 [0,1,0,1,0,0|0,0,2]=4 7758 B14R2.4510 O=C1CCCC(O)c2ccccc21 Amb28366160 [0,1,0,1,0,0|0,0,1]=3 7759 B14R2.4510 O=C1CCC[C@@H](O)c2ncccc21 Amb24364134 [0,1,0,1,0,0|1,0,1]=4 7760 B14R2.4510 O=S1CCCC(Cl)c2ccccc21 Amb27169404 [0,1,0,1,0,0|1,0,1]=4 7761 B14R2.4510 OC1CCCC(O)c2cnccc21 Amb27763855 [0,1,0,1,0,0|1,0,0]=3 7762 B14R2.5540 CC1(c2ccccc2)CCCCN1 Amb18063210 [0,1,0,1,0,0|1,0,0]=3 7763 B14R2.5540 CC1(c2ccccc2)CCCNC1 Amb18065573 [0,1,0,1,0,0|2,0,0]=4 7764 B14R2.5540 CC1(c2ccccc2)CCNCC1 Amb17400529 [0,1,0,1,0,0|2,0,0]=4 7765 B14R2.5540 CC1(c2ccccc2)CCNCC1 Amb22235541 [0,1,0,1,0,0|2,0,0]=4 7766 B14R2.5540 CC1(c2ccccc2)CCNCO1 Amb4361995 [0,1,0,1,0,0|1,0,0]=3 7767 B14R2.5540 CC1(c2ccccc2)CCOCO1 Amb4012789 [0,1,0,1,0,0|1,0,0]=3 7768 B14R2.5540 CC1(c2ccccc2)CNCCO1 Amb32664527 [0,1,0,1,0,0|1,0,0]=3 7769 B14R2.5540 CC1(c2ccccc2)CNCCO1 Amb5751102 [0,1,0,1,0,0|1,0,0]=3 7770 B14R2.5540 CC1(c2ccccc2)COCCN1 Amb5751159 [0,1,0,1,0,0|2,0,0]=4 7771 B14R2.5540 CC1(c2ccccc2)OCCCO1 Amb1806265 [0,1,0,1,0,0|1,0,0]=3 7772 B14R2.5540 CC1(c2ccccn2)CCCCC1 Amb25212004 [0,1,0,1,0,0|2,0,0]=4 7773 B14R2.5540 CC1(c2ccccn2)CCCCN1 Amb25157009 [0,1,0,1,0,0|2,0,0]=4 7774 B14R2.5540 CC1(c2ccccn2)CNCCO1 Amb27222873 [0,1,0,1,0,0|2,0,0]=4 7775 B14R2.5540 CC1(c2cccnc2)CCCCN1 Amb26360387 [0,1,0,1,0,0|2,0,0]=4 7776 B14R2.5540 CC1(c2ccncc2)CCCCN1 Amb25722046 [0,1,0,1,0,0|2,0,0]=4 7777 B14R2.5540 C[C@@]1(c2ccccc2)CCCCN1 Amb24440188 [0,1,0,1,0,0|1,0,0]=3 7778 B14R2.5540 C[C@@]1(c2ccccc2)COCCN1 Amb33742234 [0,1,0,1,0,0|2,0,0]=4 7779 B14R2.5540 C[C@]1(c2ccccc2)CCCCN1 Amb28193287 [0,1,0,1,0,0|1,0,0]=3 7780 B14R2.5540 C[C@]1(c2ccccc2)COCCN1 Amb33734029 [0,1,0,1,0,0|2,0,0]=4 7781 B14R2.5540 FC1(c2ccccc2)CCCNC1 Amb25882471 [0,1,0,1,0,0|2,0,0]=4 7782 B14R2.5540 FC1(c2ccccc2)CCCNC1 Amb32660590 [0,1,0,1,0,0|2,0,0]=4 7783 B14R2.5540 FC1(c2ccccc2)CCNCC1 Amb10841076 [0,1,0,1,0,0|2,0,0]=4 7784 B14R2.5540 FC1(c2ccccc2)CCNCC1 Amb24066074 [0,1,0,1,0,0|2,0,0]=4 7785 B14R2.5540 NC1(c2ccccc2)CCCCC1 Amb20075861 [0,1,0,1,0,0|1,0,0]=3 7786 B14R2.5540 NC1(c2ccccc2)CCCCC1 Amb5753219 [0,1,0,1,0,0|1,0,0]=3 7787 B14R2.5540 NC1(c2ccccc2)CCCNC1 Amb27985906 [0,1,0,1,0,0|2,0,0]=4 7788 B14R2.5540 NC1(c2ccccc2)CCNCC1 Amb26012174 [0,1,0,1,0,0|2,0,0]=4 7789 B14R2.5540 NC1(c2ccccc2)CCOCC1 Amb17991299 [0,1,0,1,0,0|2,0,0]=4 7790 B14R2.5540 NC1(c2ccccc2)CCOCC1 Amb5753220 [0,1,0,1,0,0|2,0,0]=4 7791 B14R2.5540 NC1(c2ccccc2)CCSCC1 Amb27173744 [0,1,0,1,0,0|2,0,0]=4 7792 B14R2.5540 NC1(c2ccccn2)CCCCC1 Amb17107013 [0,1,0,1,0,0|2,0,0]=4 7793 B14R2.5540 NC1(c2ccccn2)CCCCC1 Amb22292262 [0,1,0,1,0,0|2,0,0]=4 7794 B14R2.5540 NC1(c2cccnc2)CCCCC1 Amb18944275 [0,1,0,1,0,0|2,0,0]=4 7795 B14R2.5540 NC1(c2cccnc2)CCCCC1 Amb22292261 [0,1,0,1,0,0|2,0,0]=4 7796 B14R2.5540 NC1(c2ccncc2)CCCCC1 Amb27623809 [0,1,0,1,0,0|2,0,0]=4 7797 B14R2.5540 OC1(c2ccccc2)C=CCCC1 Amb6360002 [0,1,0,1,0,0|1,0,1]=4 7798 B14R2.5540 OC1(c2ccccc2)CCCCC1 Amb2137244 [0,1,0,1,0,0|1,0,0]=3 7799 B14R2.5540 OC1(c2ccccc2)CCCNC1 Amb28555919 [0,1,0,1,0,0|2,0,0]=4 7800 B14R2.5540 OC1(c2ccccc2)CCCNC1 Amb8010658 [0,1,0,1,0,0|2,0,0]=4 7801 B14R2.5540 OC1(c2ccccc2)CCCSC1 Amb32669891 [0,1,0,1,0,0|2,0,0]=4 7802 B14R2.5540 OC1(c2ccccc2)CCNCC1 Amb24104456 [0,1,0,1,0,0|2,0,0]=4 7803 B14R2.5540 OC1(c2ccccc2)CCNCC1 Amb3939361 [0,1,0,1,0,0|2,0,0]=4 7804 B14R2.5540 OC1(c2ccccc2)CCOCC1 Amb2768117 [0,1,0,1,0,0|2,0,0]=4 7805 B14R2.5540 OC1(c2ccccc2)CCSCC1 Amb24367738 [0,1,0,1,0,0|2,0,0]=4 7806 B14R2.5540 OC1(c2ccccn2)CCCCC1 Amb17594509 [0,1,0,1,0,0|2,0,0]=4 7807 B14R2.5540 OC1(c2ccncc2)CCCCC1 Amb17594510 [0,1,0,1,0,0|2,0,0]=4 7808 B14R2.16538 C#CCNCC1Cc2ccccc21 Amb27749876 [0,1,0,1,0,0|1,0,1]=4 7809 B14R2.24101 CC1NCCCOc2ccccc21 Amb5750869 [0,1,0,1,0,0|1,0,0]=3 7810 B14R2.24101 CN1CCCCCc2ccccc21 Amb27605226 [0,1,0,1,0,0|1,0,0]=3 7811 B14R2.24101 NC1CCCCCc2ccccc21 Amb27184614 [0,1,0,1,0,0|1,0,0]=3 7812 B14R2.24101 O=C1CCCCCc2ccccc21 Amb17594414 [0,1,0,1,0,0|0,0,1]=3 7813 B14R2.24101 O=C1NCCCOc2ccccc21 Amb27754119 [0,1,0,1,0,0|1,0,1]=4 7814 B14R2.24101 OC1CCCCCc2ccccc21 Amb28400793 [0,1,0,1,0,0|0,0,0]=2 7815 B14R2.24101 OC1CCCCNc2ccccc21 Amb27268334 [0,1,0,1,0,0|0,0,0]=2 7816 B14R2.24101 OC1CNCCCc2ccccc21 Amb28369304 [0,1,0,1,0,0|0,0,0]=2 7817 B14R2.24101 O[C@H]1CCCCCc2ccccc21 Amb27978086 [0,1,0,1,0,0|0,0,0]=2 7818 B14R2.3 BrCCCC1CCc2ccccc21 Amb26468554 [0,1,0,1,0,0|1,0,0]=3 7819 B14R2.3 BrCCCC1CSc2ccccc21 Amb27482446 [0,1,0,1,0,0|1,0,0]=3 7820 B14R2.3 BrCCCN1CCc2ccccc21 Amb27414544 [0,1,0,1,0,0|1,0,0]=3 7821 B14R2.3 C#CCCC1CCc2ccccc21 Amb33144630 [0,1,0,1,0,0|1,0,0]=3 7822 B14R2.3 C#CCCN1CCc2ccccc21 Amb27775595 [0,1,0,1,0,0|1,0,1]=4 7823 B14R2.3 C#CCNC1CCc2ccccc21 Amb10203762 [0,1,0,1,0,0|1,0,1]=4 7824 B14R2.3 C#CCNC1CCc2ccccc21 Amb32666379 [0,1,0,1,0,0|1,0,1]=4 7825 B14R2.3 C#CCNC1CCc2ccccc21 Amb6683642 [0,1,0,1,0,0|1,0,1]=4 7826 B14R2.3 C#CCN[C@@H]1CCc2ccccc21 Amb8386202 [0,1,0,1,0,0|1,0,1]=4 7827 B14R2.3 C#CCN[C@@H]1CCc2ccccc21 Amb8389510 [0,1,0,1,0,0|1,0,1]=4 7828 B14R2.3 C#CCN[C@H]1CCc2ccccc21 Amb25160580 [0,1,0,1,0,0|1,0,1]=4 7829 B14R2.3 C=CCCC1CCc2cccnc21 Amb35715393 [0,1,0,1,0,0|2,0,0]=4 7830 B14R2.3 C=CCNC1CCc2ccccc21 Amb33465349 [0,1,0,1,0,0|1,0,1]=4 7831 B14R2.3 C=CCNC1CCc2ccccc21 Amb9736574 [0,1,0,1,0,0|1,0,1]=4 7832 B14R2.3 C=CCN[C@@H]1CCc2ccccc21 Amb27402514 [0,1,0,1,0,0|1,0,1]=4 7833 B14R2.3 CCCCC1CNc2ccccc21 Amb27830325 [0,1,0,1,0,0|1,0,0]=3 7834 B14R2.3 CCCCN1CCc2ccccc21 Amb6360682 [0,1,0,1,0,0|1,0,0]=3 7835 B14R2.3 CCCCN1CCc2ncccc21 Amb28070384 [0,1,0,1,0,0|2,0,0]=4 7836 B14R2.3 CCCNC1CCc2ccccc21 Amb9718693 [0,1,0,1,0,0|1,0,0]=3 7837 B14R2.3 CCNCC1CCc2cccnc21 Amb27416022 [0,1,0,1,0,0|2,0,0]=4 7838 B14R2.3 CCNCC1CNc2ccccc21 Amb27585478 [0,1,0,1,0,0|2,0,0]=4 7839 B14R2.3 CCSCC1CCc2ccccc21 Amb27260140 [0,1,0,1,0,0|1,0,0]=3 7840 B14R2.3 CNCCC1CCc2ccccc21 Amb18127539 [0,1,0,1,0,0|1,0,0]=3 7841 B14R2.3 CNCCC1CNc2ccccc21 Amb18647991 [0,1,0,1,0,0|2,0,0]=4 7842 B14R2.3 CNCCC1COc2ccccc21 Amb26052277 [0,1,0,1,0,0|2,0,0]=4 7843 B14R2.3 CNCCC1NCc2ccccc21 Amb28383160 [0,1,0,1,0,0|2,0,0]=4 7844 B14R2.3 CNCCN1CCc2ccccc21 Amb6715519 [0,1,0,1,0,0|2,0,0]=4 7845 B14R2.3 COCCC1NCc2ccccc21 Amb26654017 [0,1,0,1,0,0|1,0,0]=3 7846 B14R2.3 COCCN1CCc2ncccc21 Amb28453996 [0,1,0,1,0,0|2,0,0]=4 7847 B14R2.3 CONCC1COc2ccccc21 Amb26843319 [0,1,0,1,0,0|2,0,0]=4 7848 B14R2.3 CONCC1COc2ccccc21 Amb32656203 [0,1,0,1,0,0|2,0,0]=4 7849 B14R2.3 CONCC1CSc2ccccc21 Amb26644755 [0,1,0,1,0,0|2,0,0]=4 7850 B14R2.3 ClCCCC1C=Cc2ccccc21 Amb28320765 [0,1,0,1,0,0|1,0,1]=4 7851 B14R2.3 ClCCCN1CCc2ccccc21 Amb17337049 [0,1,0,1,0,0|1,0,0]=3 7852 B14R2.3 FCCCN1CCc2ccccc21 Amb27455976 [0,1,0,1,0,0|1,0,0]=3 7853 B14R2.3 FCCNC1CCc2ccccc21 Amb27834238 [0,1,0,1,0,0|1,0,0]=3 7854 B14R2.3 FCCSC1CCc2ccccc21 Amb27637046 [0,1,0,1,0,0|1,0,0]=3 7855 B14R2.3 N#CCCC1CCc2ccccc21 Amb33146103 [0,1,0,1,0,0|1,0,0]=3 7856 B14R2.3 N#CCCN1CCc2ccccc21 Amb6666555 [0,1,0,1,0,0|1,0,1]=4 7857 B14R2.3 NCCCC1CCc2cccnc21 Amb27254623 [0,1,0,1,0,0|2,0,0]=4 7858 B14R2.3 NCCCN1CCc2ccccc21 Amb1108321 [0,1,0,1,0,0|1,0,0]=3 7859 B14R2.3 NCCNC1COc2ccccc21 Amb28322481 [0,1,0,1,0,0|2,0,0]=4 7860 B14R2.3 NCCNC1CSc2ccccc21 Amb27213600 [0,1,0,1,0,0|2,0,0]=4 7861 B14R2.3 NCCOC1CCc2ccccc21 Amb33144598 [0,1,0,1,0,0|1,0,0]=3 7862 B14R2.3 NC\C=C\C1CCc2ccccc21 Amb33145104 [0,1,0,1,0,0|1,0,1]=4 7863 B14R2.3 NOCCC1CCc2ccccc21 Amb33145740 [0,1,0,1,0,0|0,0,0]=2 7864 B14R2.3 NOCCN1CCc2ccccc21 Amb17104862 [0,1,0,1,0,0|1,0,0]=3 7865 B14R2.3 O=C=NCC1CCc2ccccc21 Amb17232955 [0,1,0,1,0,0|0,0,2]=4 7866 B14R2.3 O=CCCC1CCc2ccccc21 Amb33144628 [0,1,0,1,0,0|0,0,1]=3 7867 B14R2.3 O=CNCC1CCc2ccccc21 Amb27230384 [0,1,0,1,0,0|0,0,2]=4 7868 B14R2.3 OCC#CC1CCc2cccnc21 Amb27589281 [0,1,0,1,0,0|1,0,1]=4 7869 B14R2.3 OCCCC1CCc2ccccc21 Amb24353166 [0,1,0,1,0,0|0,0,0]=2 7870 B14R2.3 OCCCN1CCc2ccccc21 Amb9246658 [0,1,0,1,0,0|0,0,0]=2 7871 B14R2.3 OCCCc1coc2ccccc12 Amb25898468 [0,1,0,1,0,0|0,0,2]=4 7872 B14R2.3 OCCCc1csc2ccccc12 Amb25138282 [0,1,0,1,0,0|0,0,2]=4 7873 B14R2.3 OCCCn1cnc2ccccc21 Amb8041913 [0,1,0,1,0,0|1,0,1]=4 7874 B14R2.3 OCCNC1CCc2ccccc21 Amb9212883 [0,1,0,1,0,0|0,0,0]=2 7875 B14R2.3 OCCNC1CSc2ccccc21 Amb28255314 [0,1,0,1,0,0|1,0,0]=3 7876 B14R2.3 OC\C=C\C1CCc2ccccc21 Amb33145105 [0,1,0,1,0,0|0,0,1]=3 7877 B14R2.3 SCCCC1CCc2ccccc21 Amb33144215 [0,1,0,1,0,0|0,1,0]=3 7878 B14R2.3 [C-]#[N+]CCC1CCc2ccccc21 Amb33145751 [0,1,0,1,0,0|1,0,0]=3 7879 B14R2.3 [C-]#[N+]CCN1CCc2ccccc21 Amb19928690 [0,1,0,1,0,0|2,0,0]=4 7880 B14R2.3 [N-]=[N+]=NCC1CCc2ccccc21 Amb26377178 [0,1,0,1,0,0|2,0,0]=4 7881 B14R2.6 C(=C1CCCCC1)c2ccccc2 Amb4035202 [0,1,0,1,0,0|1,0,1]=4 7882 B14R2.6 C1=C(Oc2ccccc2)CCCC1 Amb27495638 [0,1,0,1,0,0|1,0,1]=4 7883 B14R2.6 C1=CC(Cc2ccccc2)NCC1 Amb18127112 [0,1,0,1,0,0|1,0,1]=4 7884 B14R2.6 C1=CC(Nc2ccccc2)CCC1 Amb27229969 [0,1,0,1,0,0|1,0,1]=4 7885 B14R2.6 C1=CC(Oc2ccccc2)CCC1 Amb6359709 [0,1,0,1,0,0|1,0,1]=4 7886 B14R2.6 C1=CC(Oc2ccccc2)OCC1 Amb27868769 [0,1,0,1,0,0|0,0,2]=4 7887 B14R2.6 C1=C[C@H](Nc2ccccc2)CCC1 Amb27210905 [0,1,0,1,0,0|1,0,1]=4 7888 B14R2.6 c1cc(CC2CCCCN2)ccn1 Amb2235427 [0,1,0,1,0,0|2,0,0]=4 7889 B14R2.6 c1cc(CC2CCCNC2)ccn1 Amb23598849 [0,1,0,1,0,0|2,0,0]=4 7890 B14R2.6 c1cc(CC2CCNCC2)ccn1 Amb10068864 [0,1,0,1,0,0|2,0,0]=4 7891 B14R2.6 c1cc(CC2CCNCC2)ccn1 Amb3933639 [0,1,0,1,0,0|2,0,0]=4 7892 B14R2.6 c1cc(CC2CNCCO2)ccn1 Amb23454937 [0,1,0,1,0,0|1,0,0]=3 7893 B14R2.6 c1cc(CN2CCCCC2)ccn1 Amb22751939 [0,1,0,1,0,0|2,0,0]=4 7894 B14R2.6 c1cc(NC2CCCCC2)ccn1 Amb1147434 [0,1,0,1,0,0|2,0,0]=4 7895 B14R2.6 c1cc(SC2CCCCC2)ccn1 Amb27802066 [0,1,0,1,0,0|2,0,0]=4 7896 B14R2.6 c1ccc(CC2=NCCCN2)cc1 Amb25123799 [0,1,0,1,0,0|1,0,1]=4 7897 B14R2.6 c1ccc(CC2CCCCC2)cc1 Amb4020088 [0,1,0,1,0,0|1,0,0]=3 7898 B14R2.6 c1ccc(CC2CCCCN2)cc1 Amb17659191 [0,1,0,1,0,0|1,0,0]=3 7899 B14R2.6 c1ccc(CC2CCCCN2)cc1 Amb9768306 [0,1,0,1,0,0|1,0,0]=3 7900 B14R2.6 c1ccc(CC2CCCCN2)nc1 Amb2237229 [0,1,0,1,0,0|2,0,0]=4 7901 B14R2.6 c1ccc(CC2CCCCN2)nc1 Amb32644425 [0,1,0,1,0,0|2,0,0]=4 7902 B14R2.6 c1ccc(CC2CCCC[NH2+]2)cc1 Amb33513128 [0,1,0,1,0,0|1,0,0]=3 7903 B14R2.6 c1ccc(CC2CCCNC2)cc1 Amb10068913 [0,1,0,1,0,0|1,0,0]=3 7904 B14R2.6 c1ccc(CC2CCCNC2)cc1 Amb2695119 [0,1,0,1,0,0|1,0,0]=3 7905 B14R2.6 c1ccc(CC2CCCNC2)nc1 Amb22171199 [0,1,0,1,0,0|2,0,0]=4 7906 B14R2.6 c1ccc(CC2CCCNC2)nc1 Amb35745617 [0,1,0,1,0,0|2,0,0]=4 7907 B14R2.6 c1ccc(CC2CCC[NH2+]C2)cc1 Amb33513127 [0,1,0,1,0,0|1,0,0]=3 7908 B14R2.6 c1ccc(CC2CCNCC2)cc1 Amb20248128 [0,1,0,1,0,0|1,0,0]=3 7909 B14R2.6 c1ccc(CC2CCNCC2)cc1 Amb2792831 [0,1,0,1,0,0|1,0,0]=3 7910 B14R2.6 c1ccc(CC2CCNCC2)nc1 Amb10068862 [0,1,0,1,0,0|2,0,0]=4 7911 B14R2.6 c1ccc(CC2CCNCC2)nc1 Amb19373460 [0,1,0,1,0,0|2,0,0]=4 7912 B14R2.6 c1ccc(CC2CCNCC2)nc1 Amb3933634 [0,1,0,1,0,0|2,0,0]=4 7913 B14R2.6 c1ccc(CC2CNCCN2)cc1 Amb10068437 [0,1,0,1,0,0|1,0,0]=3 7914 B14R2.6 c1ccc(CC2CNCCN2)cc1 Amb20240950 [0,1,0,1,0,0|1,0,0]=3 7915 B14R2.6 c1ccc(CC2CNCCO2)cc1 Amb31195462 [0,1,0,1,0,0|0,0,0]=2 7916 B14R2.6 c1ccc(CC2CNCCO2)cc1 Amb32411930 [0,1,0,1,0,0|0,0,0]=2 7917 B14R2.6 c1ccc(CC2CNCCO2)cc1 Amb8011282 [0,1,0,1,0,0|0,0,0]=2 7918 B14R2.6 c1ccc(CC2CNCCO2)nc1 Amb23454938 [0,1,0,1,0,0|1,0,0]=3 7919 B14R2.6 c1ccc(CC2CNCCS2)cc1 Amb18565446 [0,1,0,1,0,0|0,1,0]=3 7920 B14R2.6 c1ccc(CC2CNCOC2)cc1 Amb27772115 [0,1,0,1,0,0|1,0,0]=3 7921 B14R2.6 c1ccc(CC2COCCN2)cc1 Amb10068897 [0,1,0,1,0,0|1,0,0]=3 7922 B14R2.6 c1ccc(CC2COCCN2)cc1 Amb8009649 [0,1,0,1,0,0|1,0,0]=3 7923 B14R2.6 c1ccc(CC2CSCCN2)cc1 Amb18565445 [0,1,0,1,0,0|1,0,0]=3 7924 B14R2.6 c1ccc(CC2NCCCO2)cc1 Amb17506195 [0,1,0,1,0,0|0,0,0]=2 7925 B14R2.6 c1ccc(CC2NCCCS2)cc1 Amb27177019 [0,1,0,1,0,0|0,1,0]=3 7926 B14R2.6 c1ccc(CN2CCCCC2)cc1 Amb1694839 [0,1,0,1,0,0|1,0,0]=3 7927 B14R2.6 c1ccc(CN2CCCCC2)cc1 Amb24064580 [0,1,0,1,0,0|1,0,0]=3 7928 B14R2.6 c1ccc(CN2CCCCC2)nc1 Amb33718819 [0,1,0,1,0,0|2,0,0]=4 7929 B14R2.6 c1ccc(CN2CCCCN2)nc1 Amb27866645 [0,1,0,1,0,0|2,0,0]=4 7930 B14R2.6 c1ccc(CN2CCCNC2)cc1 Amb697084 [0,1,0,1,0,0|2,0,0]=4 7931 B14R2.6 c1ccc(CN2CCNCC2)cc1 Amb2719970 [0,1,0,1,0,0|2,0,0]=4 7932 B14R2.6 c1ccc(CN2CCNCC2)cc1 Amb33528145 [0,1,0,1,0,0|2,0,0]=4 7933 B14R2.6 c1ccc(CN2CCNCC2)cc1 Amb8629276 [0,1,0,1,0,0|2,0,0]=4 7934 B14R2.6 c1ccc(CN2CCOCC2)cc1 Amb1013884 [0,1,0,1,0,0|2,0,0]=4 7935 B14R2.6 c1ccc(CN2CCSCC2)cc1 Amb8509389 [0,1,0,1,0,0|2,0,0]=4 7936 B14R2.6 c1ccc(C[C@@H]2CCCCN2)cc1 Amb22892828 [0,1,0,1,0,0|1,0,0]=3 7937 B14R2.6 c1ccc(C[C@@H]2CNCCN2)cc1 Amb19515800 [0,1,0,1,0,0|1,0,0]=3 7938 B14R2.6 c1ccc(C[C@@H]2CNCCN2)cc1 Amb22752073 [0,1,0,1,0,0|1,0,0]=3 7939 B14R2.6 c1ccc(C[C@@H]2CNCCO2)cc1 Amb20242077 [0,1,0,1,0,0|0,0,0]=2 7940 B14R2.6 c1ccc(C[C@@H]2CNCOC2)cc1 Amb28141038 [0,1,0,1,0,0|1,0,0]=3 7941 B14R2.6 c1ccc(C[C@@H]2COCCN2)cc1 Amb20242985 [0,1,0,1,0,0|1,0,0]=3 7942 B14R2.6 c1ccc(C[C@H]2CCCCN2)cc1 Amb27607714 [0,1,0,1,0,0|1,0,0]=3 7943 B14R2.6 c1ccc(C[C@H]2CCCNC2)cc1 Amb25861291 [0,1,0,1,0,0|1,0,0]=3 7944 B14R2.6 c1ccc(C[C@H]2CNCCN2)cc1 Amb15690734 [0,1,0,1,0,0|1,0,0]=3 7945 B14R2.6 c1ccc(C[C@H]2CNCCN2)cc1 Amb34910880 [0,1,0,1,0,0|1,0,0]=3 7946 B14R2.6 c1ccc(C[C@H]2CNCCO2)cc1 Amb20242078 [0,1,0,1,0,0|0,0,0]=2 7947 B14R2.6 c1ccc(C[C@H]2COCCN2)cc1 Amb20242986 [0,1,0,1,0,0|1,0,0]=3 7948 B14R2.6 c1ccc(C[C@H]2COCCN2)cc1 Amb22226651 [0,1,0,1,0,0|1,0,0]=3 7949 B14R2.6 c1ccc(N=C2CCCCC2)cc1 Amb28247935 [0,1,0,1,0,0|1,0,1]=4 7950 B14R2.6 c1ccc(NC2CCCCC2)cc1 Amb2725530 [0,1,0,1,0,0|1,0,0]=3 7951 B14R2.6 c1ccc(NC2CCCCC2)cc1 Amb2725642 [0,1,0,1,0,0|1,0,0]=3 7952 B14R2.6 c1ccc(NC2CCCCC2)nc1 Amb1103846 [0,1,0,1,0,0|2,0,0]=4 7953 B14R2.6 c1ccc(NC2CCCNC2)cc1 Amb2695153 [0,1,0,1,0,0|2,0,0]=4 7954 B14R2.6 c1ccc(NC2CCCSC2)cc1 Amb18287630 [0,1,0,1,0,0|1,1,0]=4 7955 B14R2.6 c1ccc(NC2CCNCC2)cc1 Amb10609405 [0,1,0,1,0,0|2,0,0]=4 7956 B14R2.6 c1ccc(NC2CCNCC2)cc1 Amb10609441 [0,1,0,1,0,0|2,0,0]=4 7957 B14R2.6 c1ccc(NC2CCNCC2)cc1 Amb2693972 [0,1,0,1,0,0|2,0,0]=4 7958 B14R2.6 c1ccc(NC2CCOCC2)cc1 Amb9472301 [0,1,0,1,0,0|2,0,0]=4 7959 B14R2.6 c1ccc(NC2CCSCC2)cc1 Amb21988475 [0,1,0,1,0,0|2,0,0]=4 7960 B14R2.6 c1ccc(NC2CCSCC2)cc1 Amb9372005 [0,1,0,1,0,0|2,0,0]=4 7961 B14R2.6 c1ccc(NN2CCCCC2)cc1 Amb10558568 [0,1,0,1,0,0|2,0,0]=4 7962 B14R2.6 c1ccc(N[C@@H]2CCCOC2)nc1 Amb27485456 [0,1,0,1,0,0|2,0,0]=4 7963 B14R2.6 c1ccc(OC2CCCCC2)cc1 Amb5717454 [0,1,0,1,0,0|1,0,0]=3 7964 B14R2.6 c1ccc(OC2CCCCC2)nc1 Amb27950028 [0,1,0,1,0,0|2,0,0]=4 7965 B14R2.6 c1ccc(OC2CCCCO2)cc1 Amb17673726 [0,1,0,1,0,0|0,0,0]=2 7966 B14R2.6 c1ccc(OC2CCCNC2)cc1 Amb10068910 [0,1,0,1,0,0|2,0,0]=4 7967 B14R2.6 c1ccc(OC2CCCNC2)cc1 Amb6357710 [0,1,0,1,0,0|2,0,0]=4 7968 B14R2.6 c1ccc(OC2CCNCC2)cc1 Amb2383152 [0,1,0,1,0,0|2,0,0]=4 7969 B14R2.6 c1ccc(OC2CCNCC2)cc1 Amb6892786 [0,1,0,1,0,0|2,0,0]=4 7970 B14R2.6 c1ccc(O[C@@H]2CCCNC2)cc1 Amb24339204 [0,1,0,1,0,0|2,0,0]=4 7971 B14R2.6 c1ccc(O[C@@H]2CCCNC2)cc1 Amb32663744 [0,1,0,1,0,0|2,0,0]=4 7972 B14R2.6 c1ccc(O[C@H]2CCCNC2)cc1 Amb28146191 [0,1,0,1,0,0|2,0,0]=4 7973 B14R2.6 c1ccc(SC2CCCCC2)cc1 Amb25316653 [0,1,0,1,0,0|1,0,0]=3 7974 B14R2.6 c1ccc(SC2CCCCO2)cc1 Amb4035372 [0,1,0,1,0,0|0,0,0]=2 7975 B14R2.6 c1ccc(SC2CCCNC2)cc1 Amb10067909 [0,1,0,1,0,0|2,0,0]=4 7976 B14R2.6 c1ccc(SC2CCCOC2)nc1 Amb27188284 [0,1,0,1,0,0|2,0,0]=4 7977 B14R2.6 c1ccc(SC2CCNCC2)cc1 Amb10068837 [0,1,0,1,0,0|2,0,0]=4 7978 B14R2.6 c1ccc(SC2CCNCC2)cc1 Amb18955366 [0,1,0,1,0,0|2,0,0]=4 7979 B14R2.6 c1ccc(SC2CCOCC2)cc1 Amb27254744 [0,1,0,1,0,0|2,0,0]=4 7980 B14R2.6 c1cncc(CC2CCCCN2)c1 Amb24085209 [0,1,0,1,0,0|2,0,0]=4 7981 B14R2.6 c1cncc(CC2CCCNC2)c1 Amb10068907 [0,1,0,1,0,0|2,0,0]=4 7982 B14R2.6 c1cncc(CC2CCCNC2)c1 Amb8009650 [0,1,0,1,0,0|2,0,0]=4 7983 B14R2.6 c1cncc(CC2CCNCC2)c1 Amb10068863 [0,1,0,1,0,0|2,0,0]=4 7984 B14R2.6 c1cncc(CC2CCNCC2)c1 Amb8009636 [0,1,0,1,0,0|2,0,0]=4 7985 B14R2.6 c1cncc(CC2CNCCO2)c1 Amb27826347 [0,1,0,1,0,0|1,0,0]=3 7986 B14R2.6 c1cncc(CN2CCCCC2)c1 Amb24184790 [0,1,0,1,0,0|2,0,0]=4 7987 B14R2.6 c1cncc(NC2CCCCC2)c1 Amb6686644 [0,1,0,1,0,0|2,0,0]=4 7988 B14R2.6 c1cncc(OC2CCCCO2)c1 Amb27656016 [0,1,0,1,0,0|1,0,0]=3 7989 B14R2.14 BrCC1CCCN1c2ccncc2 Amb27254460 [0,1,0,1,0,0|2,0,0]=4 7990 B14R2.14 BrC[C@@H]1CCCN1c2ccccn2 Amb35679886 [0,1,0,1,0,0|2,0,0]=4 7991 B14R2.14 BrC[C@@H]1CCCN1c2ccncc2 Amb30012377 [0,1,0,1,0,0|2,0,0]=4 7992 B14R2.14 BrC[C@H]1CCCN1c2ccccn2 Amb35729444 [0,1,0,1,0,0|2,0,0]=4 7993 B14R2.14 BrC[C@H]1CCCN1c2ccncc2 Amb29851394 [0,1,0,1,0,0|2,0,0]=4 7994 B14R2.14 CCC1CCNC1c2ccccc2 Amb3788233 [0,1,0,1,0,0|1,0,0]=3 7995 B14R2.14 CCC1CNCC1c2ccccc2 Amb24563782 [0,1,0,1,0,0|1,0,0]=3 7996 B14R2.14 CCC1NCCC1c2ccccn2 Amb18285663 [0,1,0,1,0,0|2,0,0]=4 7997 B14R2.14 CCC1NCCC1c2cccnc2 Amb18285679 [0,1,0,1,0,0|2,0,0]=4 7998 B14R2.14 CCC1NCCC1c2ccncc2 Amb18285677 [0,1,0,1,0,0|2,0,0]=4 7999 B14R2.14 CCC1NCCN1c2ccccc2 Amb27778508 [0,1,0,1,0,0|2,0,0]=4 8000 B14R2.14 CCC1NCOC1c2ccccc2 Amb27631242 [0,1,0,1,0,0|2,0,0]=4 8001 B14R2.14 CCN1CCNC1c2ccccc2 Amb27415521 [0,1,0,1,0,0|2,0,0]=4 8002 B14R2.14 CCN1CCOC1c2ccccc2 Amb3735629 [0,1,0,1,0,0|2,0,0]=4 8003 B14R2.14 CC[C@@H]1CCN[C@H]1c2ccccc2 Amb27437908 [0,1,0,1,0,0|1,0,0]=3 8004 B14R2.14 CC[C@H]1CCN[C@H]1c2ccccc2 Amb27623237 [0,1,0,1,0,0|1,0,0]=3 8005 B14R2.14 CNC1CCCC1c2ccccc2 Amb18286605 [0,1,0,1,0,0|1,0,0]=3 8006 B14R2.14 CNC1COCC1c2ccccc2 Amb35635689 [0,1,0,1,0,0|2,0,0]=4 8007 B14R2.14 CN[C@@H]1CCC[C@H]1c2ccccc2 Amb27944980 [0,1,0,1,0,0|1,0,0]=3 8008 B14R2.14 COC1CCNC1c2ccccc2 Amb27646662 [0,1,0,1,0,0|1,0,0]=3 8009 B14R2.14 CO[C@@H]1CNC[C@H]1c2ccccc2 Amb27419896 [0,1,0,1,0,0|1,0,0]=3 8010 B14R2.14 ClCC1CCCC1c2ccccc2 Amb27816406 [0,1,0,1,0,0|1,0,0]=3 8011 B14R2.14 ClC[C@@H]1CCCN1c2ccccn2 Amb29851406 [0,1,0,1,0,0|2,0,0]=4 8012 B14R2.14 ClC[C@@H]1CCCN1c2ccncc2 Amb35679875 [0,1,0,1,0,0|2,0,0]=4 8013 B14R2.14 ClC[C@H]1CCCN1c2ccccn2 Amb35680069 [0,1,0,1,0,0|2,0,0]=4 8014 B14R2.14 ClC[C@H]1CCCN1c2ccncc2 Amb29867153 [0,1,0,1,0,0|2,0,0]=4 8015 B14R2.14 N#CC1CNCC1c2ccccc2 Amb23597889 [0,1,0,1,0,0|1,0,1]=4 8016 B14R2.14 N#CC1CNCC1c2ccccc2 Amb32661064 [0,1,0,1,0,0|1,0,1]=4 8017 B14R2.14 N#C[C@@H]1CNC[C@H]1c2ccccc2 Amb25175728 [0,1,0,1,0,0|1,0,1]=4 8018 B14R2.14 N#C[C@@H]1CNC[C@H]1c2ccccc2 Amb26838387 [0,1,0,1,0,0|1,0,1]=4 8019 B14R2.14 NCC1CCCC1c2ccccc2 Amb26980483 [0,1,0,1,0,0|1,0,0]=3 8020 B14R2.14 NCC1CCCC1c2ccccc2 Amb28556058 [0,1,0,1,0,0|1,0,0]=3 8021 B14R2.14 NCC1CCCN1c2ccccc2 Amb26348846 [0,1,0,1,0,0|1,0,0]=3 8022 B14R2.14 NCC1CCCN1c2ccccn2 Amb18286513 [0,1,0,1,0,0|2,0,0]=4 8023 B14R2.14 NCC1CCCN1c2cccnc2 Amb24403334 [0,1,0,1,0,0|2,0,0]=4 8024 B14R2.14 NCC1CCNC1c2ccccc2 Amb18196530 [0,1,0,1,0,0|1,0,0]=3 8025 B14R2.14 NCC1CCNC1c2ccncc2 Amb18195796 [0,1,0,1,0,0|2,0,0]=4 8026 B14R2.14 NCC1CCOC1c2ccccc2 Amb19335842 [0,1,0,1,0,0|1,0,0]=3 8027 B14R2.14 NCC1CCOC1c2ccccc2 Amb32666106 [0,1,0,1,0,0|1,0,0]=3 8028 B14R2.14 NCC1COCC1c2ccccc2 Amb27624694 [0,1,0,1,0,0|1,0,0]=3 8029 B14R2.14 NCC1OCCC1c2ccccc2 Amb27783508 [0,1,0,1,0,0|1,0,0]=3 8030 B14R2.14 NC[C@@H]1CCCN1c2ccccc2 Amb25067823 [0,1,0,1,0,0|1,0,0]=3 8031 B14R2.14 NC[C@@H]1CCCN1c2cccnc2 Amb25895841 [0,1,0,1,0,0|2,0,0]=4 8032 B14R2.14 NC[C@@H]1CCO[C@@H]1c2ccccc2 Amb34915745 [0,1,0,1,0,0|1,0,0]=3 8033 B14R2.14 NC[C@@H]1CCO[C@H]1c2ccccc2 Amb25168772 [0,1,0,1,0,0|1,0,0]=3 8034 B14R2.14 NC[C@@H]1CCO[C@H]1c2ccccc2 Amb26838890 [0,1,0,1,0,0|1,0,0]=3 8035 B14R2.14 NC[C@H]1CCCN1c2ccccc2 Amb25835774 [0,1,0,1,0,0|1,0,0]=3 8036 B14R2.14 NC[C@H]1CCCN1c2cccnc2 Amb25826926 [0,1,0,1,0,0|2,0,0]=4 8037 B14R2.14 NC[C@H]1CCO[C@@H]1c2ccccc2 Amb27213895 [0,1,0,1,0,0|1,0,0]=3 8038 B14R2.14 NC[C@H]1CCO[C@@H]1c2ccccc2 Amb28926687 [0,1,0,1,0,0|1,0,0]=3 8039 B14R2.14 NNC1CCCC1c2ccccc2 Amb27595616 [0,1,0,1,0,0|1,0,0]=3 8040 B14R2.14 O=CC1CCOC1c2ccccc2 Amb18127702 [0,1,0,1,0,0|0,0,2]=4 8041 B14R2.14 O=NN1CCCC1c2ccccc2 Amb24433812 [0,1,0,1,0,0|1,0,1]=4 8042 B14R2.14 OCC1CCC=C1c2ccccc2 Amb27947019 [0,1,0,1,0,0|0,0,1]=3 8043 B14R2.14 OCC1CCCN1c2ccccc2 Amb28363823 [0,1,0,1,0,0|0,0,0]=2 8044 B14R2.14 OCC1CCCN1c2ccccn2 Amb18178556 [0,1,0,1,0,0|1,0,0]=3 8045 B14R2.14 OCC1CCCN1c2ccccn2 Amb31201968 [0,1,0,1,0,0|1,0,0]=3 8046 B14R2.14 OCC1CCCN1c2cccnn2 Amb18186375 [0,1,0,1,0,0|2,0,0]=4 8047 B14R2.14 OCC1CCCN1c2ccncc2 Amb18178553 [0,1,0,1,0,0|1,0,0]=3 8048 B14R2.14 OCC1CCCN1c2cnccn2 Amb18178700 [0,1,0,1,0,0|2,0,0]=4 8049 B14R2.14 OCC1CCCN1c2ncccn2 Amb18178701 [0,1,0,1,0,0|2,0,0]=4 8050 B14R2.14 OCC1CCOC1c2ccccc2 Amb25118296 [0,1,0,1,0,0|0,0,0]=2 8051 B14R2.14 OCC1CNCC1c2ccccc2 Amb9781840 [0,1,0,1,0,0|0,0,0]=2 8052 B14R2.14 OCC1CNCC1c2ccccn2 Amb27596998 [0,1,0,1,0,0|1,0,0]=3 8053 B14R2.14 OCC1N=COC1c2ccccc2 Amb27456513 [0,1,0,1,0,0|1,0,1]=4 8054 B14R2.14 OCC1NCCC1c2cnccn2 Amb35603023 [0,1,0,1,0,0|2,0,0]=4 8055 B14R2.14 OCC1OCCC1c2ccccc2 Amb27604505 [0,1,0,1,0,0|0,0,0]=2 8056 B14R2.14 OC[C@@H]1CCCN1c2ccccc2 Amb28048081 [0,1,0,1,0,0|0,0,0]=2 8057 B14R2.14 OC[C@@H]1CCCN1c2ccccn2 Amb28242445 [0,1,0,1,0,0|1,0,0]=3 8058 B14R2.14 OC[C@@H]1CCCN1c2cccnn2 Amb35704934 [0,1,0,1,0,0|2,0,0]=4 8059 B14R2.14 OC[C@@H]1CCCN1c2ccncc2 Amb29851022 [0,1,0,1,0,0|1,0,0]=3 8060 B14R2.14 OC[C@@H]1CCCN1c2ccncn2 Amb35704935 [0,1,0,1,0,0|2,0,0]=4 8061 B14R2.14 OC[C@@H]1CCCN1c2cnccn2 Amb35704937 [0,1,0,1,0,0|2,0,0]=4 8062 B14R2.14 OC[C@@H]1CCCN1c2ncccn2 Amb35704936 [0,1,0,1,0,0|2,0,0]=4 8063 B14R2.14 OC[C@@H]1CCC[C@H]1c2ccccc2 Amb27844164 [0,1,0,1,0,0|0,0,0]=2 8064 B14R2.14 OC[C@@H]1CCN[C@@H]1c2ccccc2 Amb27632392 [0,1,0,1,0,0|0,0,0]=2 8065 B14R2.14 OC[C@@H]1CNC[C@H]1c2ccccc2 Amb22756588 [0,1,0,1,0,0|0,0,0]=2 8066 B14R2.14 OC[C@@H]1CNC[C@H]1c2ccccc2 Amb35789802 [0,1,0,1,0,0|0,0,0]=2 8067 B14R2.14 OC[C@@H]1NCC[C@@H]1c2ccccc2 Amb28066697 [0,1,0,1,0,0|0,0,0]=2 8068 B14R2.14 OC[C@@H]1OCC[C@H]1c2ccccc2 Amb27805095 [0,1,0,1,0,0|0,0,0]=2 8069 B14R2.14 OC[C@H]1CNC[C@@H]1c2ccccc2 Amb26588980 [0,1,0,1,0,0|0,0,0]=2 8070 B14R2.14 OC[C@H]1CNC[C@@H]1c2ccccn2 Amb27422097 [0,1,0,1,0,0|1,0,0]=3 8071 B14R2.14 OC[C@H]1CNC[C@H]1c2ccccc2 Amb27964542 [0,1,0,1,0,0|0,0,0]=2 8072 B14R2.14 O\N=C1\CCCC1c2ccccc2 Amb27783688 [0,1,0,1,0,0|0,0,1]=3 8073 B14R2.24 BrC1CCCCC1[n+]2ccccc2 Amb4026969 [0,1,0,1,0,0|2,0,0]=4 8074 B14R2.24 BrC1CCOCC1c2ccccc2 Amb27786504 [0,1,0,1,0,0|1,0,0]=3 8075 B14R2.24 Br[C@@H]1CCCCC1[n+]2ccccc2 Amb30621851 [0,1,0,1,0,0|2,0,0]=4 8076 B14R2.24 Br[C@@H]1CCCC[C@H]1[n+]2ccccc2 Amb10553424 [0,1,0,1,0,0|2,0,0]=4 8077 B14R2.24 Br[C@H]1CCCCC1[n+]2ccccc2 Amb9786378 [0,1,0,1,0,0|2,0,0]=4 8078 B14R2.24 Brc1ccccc1C2=CCCCC2 Amb27669461 [0,1,0,1,0,0|1,0,1]=4 8079 B14R2.24 Brc1ccccc1C2CCCCC2 Amb3939599 [0,1,0,1,0,0|1,0,0]=3 8080 B14R2.24 Brc1ccccc1C2CCCCN2 Amb2236461 [0,1,0,1,0,0|1,0,0]=3 8081 B14R2.24 Brc1ccccc1C2CCCCN2 Amb2237213 [0,1,0,1,0,0|1,0,0]=3 8082 B14R2.24 Brc1ccccc1C2CCCNC2 Amb18731584 [0,1,0,1,0,0|2,0,0]=4 8083 B14R2.24 Brc1ccccc1C2CCCOC2 Amb20617125 [0,1,0,1,0,0|2,0,0]=4 8084 B14R2.24 Brc1ccccc1C2CCNCC2 Amb13888292 [0,1,0,1,0,0|2,0,0]=4 8085 B14R2.24 Brc1ccccc1C2CCNCC2 Amb13888293 [0,1,0,1,0,0|2,0,0]=4 8086 B14R2.24 Brc1ccccc1C2CCOCC2 Amb20617122 [0,1,0,1,0,0|2,0,0]=4 8087 B14R2.24 Brc1ccccc1C2CNCCN2 Amb19887466 [0,1,0,1,0,0|2,0,0]=4 8088 B14R2.24 Brc1ccccc1C2CNCCO2 Amb33545965 [0,1,0,1,0,0|1,0,0]=3 8089 B14R2.24 Brc1ccccc1C2CNCCO2 Amb34914108 [0,1,0,1,0,0|1,0,0]=3 8090 B14R2.24 Brc1ccccc1C2COCCN2 Amb24471018 [0,1,0,1,0,0|2,0,0]=4 8091 B14R2.24 Brc1ccccc1C2COCCO2 Amb18061840 [0,1,0,1,0,0|1,0,0]=3 8092 B14R2.24 Brc1ccccc1C2NCCCO2 Amb18576132 [0,1,0,1,0,0|1,0,0]=3 8093 B14R2.24 Brc1ccccc1N2CCCCC2 Amb21856193 [0,1,0,1,0,0|2,0,0]=4 8094 B14R2.24 Brc1ccccc1[C@H]2COCCN2 Amb28185926 [0,1,0,1,0,0|2,0,0]=4 8095 B14R2.24 Brc1cccnc1C2CCCCC2 Amb24320676 [0,1,0,1,0,0|2,0,0]=4 8096 B14R2.24 Brc1cccnc1C2CCCCN2 Amb33242913 [0,1,0,1,0,0|2,0,0]=4 8097 B14R2.24 Brc1cccnc1C2CCCCO2 Amb24322628 [0,1,0,1,0,0|1,0,0]=3 8098 B14R2.24 Brc1cccnc1C2CNCCO2 Amb33388366 [0,1,0,1,0,0|2,0,0]=4 8099 B14R2.24 Brc1cccnc1C2COCCO2 Amb24318981 [0,1,0,1,0,0|2,0,0]=4 8100 B14R2.24 Brc1cccnc1[C@H]2CCCCN2 Amb27431807 [0,1,0,1,0,0|2,0,0]=4 8101 B14R2.24 Brc1ccncc1C2CCCCC2 Amb20617518 [0,1,0,1,0,0|2,0,0]=4 8102 B14R2.24 Brc1ccncc1C2CCCCO2 Amb24322640 [0,1,0,1,0,0|1,0,0]=3 8103 B14R2.24 Brc1ccncc1[C@@H]2CCCCN2 Amb27608269 [0,1,0,1,0,0|2,0,0]=4 8104 B14R2.24 Brc1cnccc1C2CCCCC2 Amb24320563 [0,1,0,1,0,0|2,0,0]=4 8105 B14R2.24 Brc1cnccc1C2CCCCN2 Amb24082788 [0,1,0,1,0,0|2,0,0]=4 8106 B14R2.24 Brc1cnccc1C2CCCCO2 Amb24322638 [0,1,0,1,0,0|1,0,0]=3 8107 B14R2.24 Brc1cnccc1C2CNCCO2 Amb24653436 [0,1,0,1,0,0|2,0,0]=4 8108 B14R2.24 Brc1cnccc1[C@H]2CCCCN2 Amb28286689 [0,1,0,1,0,0|2,0,0]=4 8109 B14R2.24 Brc1ncccc1C2CCCCC2 Amb24319284 [0,1,0,1,0,0|2,0,0]=4 8110 B14R2.24 Brc1ncccc1C2CCCCN2 Amb3790702 [0,1,0,1,0,0|2,0,0]=4 8111 B14R2.24 Brc1ncccc1C2CCCCO2 Amb24322642 [0,1,0,1,0,0|1,0,0]=3 8112 B14R2.24 Brc1ncccc1C2CNCCO2 Amb25224329 [0,1,0,1,0,0|2,0,0]=4 8113 B14R2.24 Brc1ncccc1[C@H]2CCCCN2 Amb27606454 [0,1,0,1,0,0|2,0,0]=4 8114 B14R2.24 CC1CCCCN1c2ccccc2 Amb27448804 [0,1,0,1,0,0|1,0,0]=3 8115 B14R2.24 CC1CCCCN1c2ccccn2 Amb26500672 [0,1,0,1,0,0|2,0,0]=4 8116 B14R2.24 CC1CCCNC1c2ccccc2 Amb6271697 [0,1,0,1,0,0|1,0,0]=3 8117 B14R2.24 CC1CCNCC1c2ccccc2 Amb26855487 [0,1,0,1,0,0|1,0,0]=3 8118 B14R2.24 CC1CCNCC1c2ccccc2 Amb30051609 [0,1,0,1,0,0|1,0,0]=3 8119 B14R2.24 CC1CNCCC1c2ccccc2 Amb19148751 [0,1,0,1,0,0|1,0,0]=3 8120 B14R2.24 CC1CNCCC1c2cccnc2 Amb27664339 [0,1,0,1,0,0|2,0,0]=4 8121 B14R2.24 CC1CNCCN1c2ccccc2 Amb4017565 [0,1,0,1,0,0|2,0,0]=4 8122 B14R2.24 CC1COCOC1c2ccccc2 Amb28123545 [0,1,0,1,0,0|1,0,0]=3 8123 B14R2.24 CC1NCCCC1c2ccccc2 Amb18647927 [0,1,0,1,0,0|1,0,0]=3 8124 B14R2.24 CC1NCCOC1c2ccccc2 Amb6373978 [0,1,0,1,0,0|1,0,0]=3 8125 B14R2.24 CC1NCCOC1c2ccncc2 Amb18195195 [0,1,0,1,0,0|2,0,0]=4 8126 B14R2.24 CC1OCCNC1c2ccccc2 Amb18065713 [0,1,0,1,0,0|2,0,0]=4 8127 B14R2.24 CC1SCCNC1c2ccccc2 Amb19374434 [0,1,0,1,0,0|2,0,0]=4 8128 B14R2.24 CN1CCCCC1c2ccccc2 Amb28250142 [0,1,0,1,0,0|1,0,0]=3 8129 B14R2.24 CN1CCCCC1c2ccccn2 Amb26361640 [0,1,0,1,0,0|2,0,0]=4 8130 B14R2.24 CN1CCCCC1c2ccncc2 Amb23444587 [0,1,0,1,0,0|2,0,0]=4 8131 B14R2.24 CN1CCCC[C@@H]1c2ccccc2 Amb27660897 [0,1,0,1,0,0|1,0,0]=3 8132 B14R2.24 CN1CCCC[C@H]1c2cccnc2 Amb26344183 [0,1,0,1,0,0|2,0,0]=4 8133 B14R2.24 CN1CCNCC1c2ccccc2 Amb21954179 [0,1,0,1,0,0|2,0,0]=4 8134 B14R2.24 CN1CCNCC1c2ccccc2 Amb22586681 [0,1,0,1,0,0|2,0,0]=4 8135 B14R2.24 CN1CCNCC1c2ccccc2 Amb3941171 [0,1,0,1,0,0|2,0,0]=4 8136 B14R2.24 C[C@@H]1CCCN[C@@H]1c2ccccc2 Amb27252172 [0,1,0,1,0,0|1,0,0]=3 8137 B14R2.24 C[C@@H]1CCNC[C@@H]1c2ccccc2 Amb32682441 [0,1,0,1,0,0|1,0,0]=3 8138 B14R2.24 C[C@@H]1CCNC[C@@H]1c2ccccc2 Amb32682462 [0,1,0,1,0,0|1,0,0]=3 8139 B14R2.24 C[C@@H]1NCCO[C@@H]1c2ccccc2 Amb27985899 [0,1,0,1,0,0|1,0,0]=3 8140 B14R2.24 C[C@@H]1NCCO[C@H]1c2ccccc2 Amb27858584 [0,1,0,1,0,0|1,0,0]=3 8141 B14R2.24 C[C@H]1CCCCN1c2ccccn2 Amb27172339 [0,1,0,1,0,0|2,0,0]=4 8142 B14R2.24 C[C@H]1CCCN[C@H]1c2ccccc2 Amb28325679 [0,1,0,1,0,0|1,0,0]=3 8143 B14R2.24 C[C@H]1NCCO[C@@H]1c2ccccc2 Amb27259326 [0,1,0,1,0,0|1,0,0]=3 8144 B14R2.24 Cc1ccccc1B2OCCCO2 Amb9766231 [0,1,0,1,0,0|2,0,0]=4 8145 B14R2.24 Cc1ccccc1C2=CCCCC2 Amb4020561 [0,1,0,1,0,0|1,0,1]=4 8146 B14R2.24 Cc1ccccc1C2CCCCC2 Amb8392294 [0,1,0,1,0,0|1,0,0]=3 8147 B14R2.24 Cc1ccccc1C2CCCCN2 Amb9729084 [0,1,0,1,0,0|1,0,0]=3 8148 B14R2.24 Cc1ccccc1C2CCCNC2 Amb22586779 [0,1,0,1,0,0|2,0,0]=4 8149 B14R2.24 Cc1ccccc1C2CCCNC2 Amb3941198 [0,1,0,1,0,0|2,0,0]=4 8150 B14R2.24 Cc1ccccc1C2CCNCC2 Amb13888318 [0,1,0,1,0,0|2,0,0]=4 8151 B14R2.24 Cc1ccccc1C2CCNCC2 Amb3933586 [0,1,0,1,0,0|2,0,0]=4 8152 B14R2.24 Cc1ccccc1C2CNCCN2 Amb25062517 [0,1,0,1,0,0|2,0,0]=4 8153 B14R2.24 Cc1ccccc1C2CNCCN2 Amb30445886 [0,1,0,1,0,0|2,0,0]=4 8154 B14R2.24 Cc1ccccc1C2CNCCO2 Amb34914106 [0,1,0,1,0,0|1,0,0]=3 8155 B14R2.24 Cc1ccccc1C2CNCCO2 Amb5750917 [0,1,0,1,0,0|1,0,0]=3 8156 B14R2.24 Cc1ccccc1C2CNCCS2 Amb17235833 [0,1,0,1,0,0|1,1,0]=4 8157 B14R2.24 Cc1ccccc1C2COCCN2 Amb5751000 [0,1,0,1,0,0|2,0,0]=4 8158 B14R2.24 Cc1ccccc1C2CSCCN2 Amb28423990 [0,1,0,1,0,0|2,0,0]=4 8159 B14R2.24 Cc1ccccc1C2NCCCO2 Amb17335174 [0,1,0,1,0,0|1,0,0]=3 8160 B14R2.24 Cc1ccccc1C2NCCCS2 Amb27771790 [0,1,0,1,0,0|1,1,0]=4 8161 B14R2.24 Cc1ccccc1C2OCCCO2 Amb17335227 [0,1,0,1,0,0|1,0,0]=3 8162 B14R2.24 Cc1ccccc1C2OCCCS2 Amb25727249 [0,1,0,1,0,0|1,0,0]=3 8163 B14R2.24 Cc1ccccc1C2SCCCS2 Amb2654381 [0,1,0,1,0,0|1,1,0]=4 8164 B14R2.24 Cc1ccccc1N2CCCCC2 Amb17939003 [0,1,0,1,0,0|2,0,0]=4 8165 B14R2.24 Cc1ccccc1[C@@H]2CCCCN2 Amb27817809 [0,1,0,1,0,0|1,0,0]=3 8166 B14R2.24 Cc1ccccc1[C@@H]2CNCCN2 Amb27759909 [0,1,0,1,0,0|2,0,0]=4 8167 B14R2.24 Cc1ccccc1[C@H]2CNCCN2 Amb28437280 [0,1,0,1,0,0|2,0,0]=4 8168 B14R2.24 Cc1cccnc1C2CCCCN2 Amb23444639 [0,1,0,1,0,0|2,0,0]=4 8169 B14R2.24 Cc1cccnc1C2CNCCO2 Amb33429072 [0,1,0,1,0,0|2,0,0]=4 8170 B14R2.24 Cc1cccnc1[C@H]2CCCCN2 Amb28282720 [0,1,0,1,0,0|2,0,0]=4 8171 B14R2.24 Cc1ccncc1C2CCCCN2 Amb26376339 [0,1,0,1,0,0|2,0,0]=4 8172 B14R2.24 Cc1ccncc1C2CNCCO2 Amb33375985 [0,1,0,1,0,0|2,0,0]=4 8173 B14R2.24 Cc1cnccc1C2CCCCN2 Amb23537254 [0,1,0,1,0,0|2,0,0]=4 8174 B14R2.24 Cc1cnccc1C2CNCCO2 Amb33414522 [0,1,0,1,0,0|2,0,0]=4 8175 B14R2.24 Cc1ncccc1C2CCCCN2 Amb26921994 [0,1,0,1,0,0|2,0,0]=4 8176 B14R2.24 Cc1ncccc1C2CNCCO2 Amb32880141 [0,1,0,1,0,0|2,0,0]=4 8177 B14R2.24 Cc1ncccc1C2COCCO2 Amb27179386 [0,1,0,1,0,0|2,0,0]=4 8178 B14R2.24 Cc1ncccc1[C@@H]2CCCCN2 Amb27468711 [0,1,0,1,0,0|2,0,0]=4 8179 B14R2.24 Cc1ncccc1[C@H]2CCCCN2 Amb27882694 [0,1,0,1,0,0|2,0,0]=4 8180 B14R2.24 ClC1CCCCC1[n+]2ccccc2 Amb28140983 [0,1,0,1,0,0|2,0,0]=4 8181 B14R2.24 ClC1COCOC1c2ccccc2 Amb25187890 [0,1,0,1,0,0|1,0,0]=3 8182 B14R2.24 Cl[C@@H]1CCCCC1[n+]2ccccc2 Amb30621849 [0,1,0,1,0,0|2,0,0]=4 8183 B14R2.24 Cl[C@@H]1CCCO[C@H]1c2ccccc2 Amb27444641 [0,1,0,1,0,0|0,0,0]=2 8184 B14R2.24 Clc1ccccc1C2=CCCCC2 Amb25189712 [0,1,0,1,0,0|1,0,1]=4 8185 B14R2.24 Clc1ccccc1C2CCCCC2 Amb22753241 [0,1,0,1,0,0|1,0,0]=3 8186 B14R2.24 Clc1ccccc1C2CCCCN2 Amb2235850 [0,1,0,1,0,0|1,0,0]=3 8187 B14R2.24 Clc1ccccc1C2CCCCN2 Amb2237236 [0,1,0,1,0,0|1,0,0]=3 8188 B14R2.24 Clc1ccccc1C2CCCNC2 Amb8009561 [0,1,0,1,0,0|2,0,0]=4 8189 B14R2.24 Clc1ccccc1C2CCNCC2 Amb2383172 [0,1,0,1,0,0|2,0,0]=4 8190 B14R2.24 Clc1ccccc1C2CCOCC2 Amb32655101 [0,1,0,1,0,0|2,0,0]=4 8191 B14R2.24 Clc1ccccc1C2CNCCN2 Amb19887469 [0,1,0,1,0,0|2,0,0]=4 8192 B14R2.24 Clc1ccccc1C2CNCCN2 Amb33991332 [0,1,0,1,0,0|2,0,0]=4 8193 B14R2.24 Clc1ccccc1C2CNCCO2 Amb10068841 [0,1,0,1,0,0|1,0,0]=3 8194 B14R2.24 Clc1ccccc1C2CNCCO2 Amb33545808 [0,1,0,1,0,0|1,0,0]=3 8195 B14R2.24 Clc1ccccc1C2CNCCS2 Amb10068813 [0,1,0,1,0,0|1,1,0]=4 8196 B14R2.24 Clc1ccccc1C2CNCCS2 Amb3940992 [0,1,0,1,0,0|1,1,0]=4 8197 B14R2.24 Clc1ccccc1C2COCCN2 Amb10068853 [0,1,0,1,0,0|2,0,0]=4 8198 B14R2.24 Clc1ccccc1C2COCCN2 Amb5751009 [0,1,0,1,0,0|2,0,0]=4 8199 B14R2.24 Clc1ccccc1C2CSCCN2 Amb10068815 [0,1,0,1,0,0|2,0,0]=4 8200 B14R2.24 Clc1ccccc1C2NCCCO2 Amb17337246 [0,1,0,1,0,0|1,0,0]=3 8201 B14R2.24 Clc1ccccc1C2OCCCO2 Amb17337356 [0,1,0,1,0,0|1,0,0]=3 8202 B14R2.24 Clc1ccccc1N2CCCCC2 Amb18269641 [0,1,0,1,0,0|2,0,0]=4 8203 B14R2.24 Clc1ccccc1[C@@H]2CNCCN2 Amb27391162 [0,1,0,1,0,0|2,0,0]=4 8204 B14R2.24 Clc1ccccc1[C@H]2CCCNC2 Amb28312944 [0,1,0,1,0,0|2,0,0]=4 8205 B14R2.24 Clc1cccnc1C2CCCCN2 Amb3788634 [0,1,0,1,0,0|2,0,0]=4 8206 B14R2.24 Clc1cccnc1C2CCCCO2 Amb24322629 [0,1,0,1,0,0|1,0,0]=3 8207 B14R2.24 Clc1cccnc1C2COCCO2 Amb24318982 [0,1,0,1,0,0|2,0,0]=4 8208 B14R2.24 Clc1cccnc1[C@@H]2CCCCN2 Amb28058301 [0,1,0,1,0,0|2,0,0]=4 8209 B14R2.24 Clc1ccncc1C2CCCCN2 Amb28313784 [0,1,0,1,0,0|2,0,0]=4 8210 B14R2.24 Clc1ccncc1[C@@H]2CCCCN2 Amb27596620 [0,1,0,1,0,0|2,0,0]=4 8211 B14R2.24 Clc1ccncc1[C@H]2CCCCN2 Amb27494099 [0,1,0,1,0,0|2,0,0]=4 8212 B14R2.24 Clc1cnccc1C2CCCCN2 Amb3788631 [0,1,0,1,0,0|2,0,0]=4 8213 B14R2.24 Clc1cnccc1C2CNCCO2 Amb33413495 [0,1,0,1,0,0|2,0,0]=4 8214 B14R2.24 Clc1ncccc1C2CCCCC2 Amb24319285 [0,1,0,1,0,0|2,0,0]=4 8215 B14R2.24 Clc1ncccc1C2CCCCN2 Amb3788632 [0,1,0,1,0,0|2,0,0]=4 8216 B14R2.24 Clc1ncccc1C2CNCCO2 Amb33257002 [0,1,0,1,0,0|2,0,0]=4 8217 B14R2.24 Clc1nccnc1C2CCCCO2 Amb35742353 [0,1,0,1,0,0|2,0,0]=4 8218 B14R2.24 FC1CNCCC1c2ccccc2 Amb32412691 [0,1,0,1,0,0|1,0,0]=3 8219 B14R2.24 FC1CNCCC1c2cccnc2 Amb28200123 [0,1,0,1,0,0|2,0,0]=4 8220 B14R2.24 Fc1ccccc1C2CCCCN2 Amb21954354 [0,1,0,1,0,0|1,0,0]=3 8221 B14R2.24 Fc1ccccc1C2CCCCN2 Amb3788285 [0,1,0,1,0,0|1,0,0]=3 8222 B14R2.24 Fc1ccccc1C2CCCNC2 Amb21954350 [0,1,0,1,0,0|2,0,0]=4 8223 B14R2.24 Fc1ccccc1C2CCCNC2 Amb8009558 [0,1,0,1,0,0|2,0,0]=4 8224 B14R2.24 Fc1ccccc1C2CCNCC2 Amb33548411 [0,1,0,1,0,0|2,0,0]=4 8225 B14R2.24 Fc1ccccc1C2CCNCC2 Amb3933594 [0,1,0,1,0,0|2,0,0]=4 8226 B14R2.24 Fc1ccccc1C2CCOCC2 Amb32655110 [0,1,0,1,0,0|2,0,0]=4 8227 B14R2.24 Fc1ccccc1C2CNCCN2 Amb19887468 [0,1,0,1,0,0|2,0,0]=4 8228 B14R2.24 Fc1ccccc1C2CNCCN2 Amb32671434 [0,1,0,1,0,0|2,0,0]=4 8229 B14R2.24 Fc1ccccc1C2CNCCO2 Amb5750920 [0,1,0,1,0,0|1,0,0]=3 8230 B14R2.24 Fc1ccccc1C2CNCCS2 Amb17236629 [0,1,0,1,0,0|1,1,0]=4 8231 B14R2.24 Fc1ccccc1C2COCCN2 Amb5751003 [0,1,0,1,0,0|2,0,0]=4 8232 B14R2.24 Fc1ccccc1C2NCCCO2 Amb17335480 [0,1,0,1,0,0|1,0,0]=3 8233 B14R2.24 Fc1ccccc1C2NCCCS2 Amb27241469 [0,1,0,1,0,0|1,1,0]=4 8234 B14R2.24 Fc1ccccc1C2OCCCO2 Amb17335529 [0,1,0,1,0,0|1,0,0]=3 8235 B14R2.24 Fc1ccccc1C2SCCCS2 Amb27633893 [0,1,0,1,0,0|1,1,0]=4 8236 B14R2.24 Fc1ccccc1[C@@H]2CNCCN2 Amb24182086 [0,1,0,1,0,0|2,0,0]=4 8237 B14R2.24 Fc1ccccc1[C@H]2CCCNC2 Amb28134066 [0,1,0,1,0,0|2,0,0]=4 8238 B14R2.24 Fc1cccnc1C2CCCCN2 Amb27391186 [0,1,0,1,0,0|2,0,0]=4 8239 B14R2.24 Fc1cccnc1C2CNCCO2 Amb33419509 [0,1,0,1,0,0|2,0,0]=4 8240 B14R2.24 Fc1cnccc1C2CCCCN2 Amb25715164 [0,1,0,1,0,0|2,0,0]=4 8241 B14R2.24 Fc1cnccc1C2CNCCO2 Amb33318029 [0,1,0,1,0,0|2,0,0]=4 8242 B14R2.24 Fc1ncccc1C2CCCCC2 Amb28317314 [0,1,0,1,0,0|2,0,0]=4 8243 B14R2.24 Fc1ncccc1C2CCCCN2 Amb3788316 [0,1,0,1,0,0|2,0,0]=4 8244 B14R2.24 Fc1ncccc1C2CNCCO2 Amb33378341 [0,1,0,1,0,0|2,0,0]=4 8245 B14R2.24 Ic1ccccc1C2CCCCC2 Amb27398463 [0,1,0,1,0,0|1,0,0]=3 8246 B14R2.24 Ic1ccccc1C2CCCCN2 Amb2237214 [0,1,0,1,0,0|1,0,0]=3 8247 B14R2.24 Ic1ccccc1C2CCNCC2 Amb24321196 [0,1,0,1,0,0|2,0,0]=4 8248 B14R2.24 Ic1ccccc1C2CCOCC2 Amb24321195 [0,1,0,1,0,0|2,0,0]=4 8249 B14R2.24 Ic1ccccc1C2CNCCN2 Amb27800826 [0,1,0,1,0,0|2,0,0]=4 8250 B14R2.24 Ic1ccccc1C2COCCN2 Amb27608516 [0,1,0,1,0,0|2,0,0]=4 8251 B14R2.24 Ic1ccccc1N2CCCCC2 Amb28058256 [0,1,0,1,0,0|2,0,0]=4 8252 B14R2.24 Ic1ccccc1[C@@H]2CCCCN2 Amb27790914 [0,1,0,1,0,0|1,0,0]=3 8253 B14R2.24 NC1CCCCC1c2ccccc2 Amb33553374 [0,1,0,1,0,0|1,0,0]=3 8254 B14R2.24 NC1CCCCC1c2ccccc2 Amb9620845 [0,1,0,1,0,0|1,0,0]=3 8255 B14R2.24 NC1CCCCC1c2cccnc2 Amb18280246 [0,1,0,1,0,0|2,0,0]=4 8256 B14R2.24 NC1CCCCC1c2ccncc2 Amb18196533 [0,1,0,1,0,0|2,0,0]=4 8257 B14R2.24 NC1CCCNC1c2ccccc2 Amb17400581 [0,1,0,1,0,0|1,0,0]=3 8258 B14R2.24 NC1CCCNC1c2cccnc2 Amb17400624 [0,1,0,1,0,0|2,0,0]=4 8259 B14R2.24 NC1CCCN[C@@H]1c2ccccc2 Amb27482292 [0,1,0,1,0,0|1,0,0]=3 8260 B14R2.24 NC1CCCOC1c2ccncc2 Amb26503169 [0,1,0,1,0,0|1,0,0]=3 8261 B14R2.24 NC1CCCOC1c2ccncc2 Amb32652647 [0,1,0,1,0,0|1,0,0]=3 8262 B14R2.24 NC1CCCOC1c2ccncn2 Amb27598724 [0,1,0,1,0,0|2,0,0]=4 8263 B14R2.24 NC1CCNCC1c2ccccc2 Amb24398671 [0,1,0,1,0,0|1,0,0]=3 8264 B14R2.24 NC1CCOCC1c2ccccc2 Amb27199871 [0,1,0,1,0,0|1,0,0]=3 8265 B14R2.24 NC1CCOCC1c2ccccn2 Amb27179732 [0,1,0,1,0,0|2,0,0]=4 8266 B14R2.24 NC1CNCCC1c2ccccc2 Amb26448588 [0,1,0,1,0,0|1,0,0]=3 8267 B14R2.24 NN1CCCCC1c2ccccc2 Amb25755123 [0,1,0,1,0,0|1,0,0]=3 8268 B14R2.24 N[C@@H]1CCCC[C@H]1c2ccccc2 Amb22757825 [0,1,0,1,0,0|1,0,0]=3 8269 B14R2.24 N[C@@H]1CCCN[C@@H]1c2ccccc2 Amb27443686 [0,1,0,1,0,0|1,0,0]=3 8270 B14R2.24 N[C@@H]1CCCO[C@H]1c2ccncc2 Amb32721600 [0,1,0,1,0,0|1,0,0]=3 8271 B14R2.24 N[C@@H]1CCCO[C@H]1c2ccncc2 Amb32721601 [0,1,0,1,0,0|1,0,0]=3 8272 B14R2.24 N[C@H]1CCCC[C@@H]1c2ccccc2 Amb27659258 [0,1,0,1,0,0|1,0,0]=3 8273 B14R2.24 N[C@H]1CCCN[C@H]1c2ccccc2 Amb20242915 [0,1,0,1,0,0|1,0,0]=3 8274 B14R2.24 N[C@H]1CCCO[C@@H]1c2cccnc2 Amb27858524 [0,1,0,1,0,0|1,0,0]=3 8275 B14R2.24 N[C@H]1CCCO[C@@H]1c2ccncc2 Amb26005726 [0,1,0,1,0,0|1,0,0]=3 8276 B14R2.24 N[C@H]1CCCO[C@@H]1c2ccncc2 Amb33447103 [0,1,0,1,0,0|1,0,0]=3 8277 B14R2.24 Nc1ccccc1C2=CCCCO2 Amb27775283 [0,1,0,1,0,0|0,0,2]=4 8278 B14R2.24 Nc1ccccc1C2C=CCCC2 Amb18647762 [0,1,0,1,0,0|1,0,1]=4 8279 B14R2.24 Nc1ccccc1C2CCCCC2 Amb17107000 [0,1,0,1,0,0|1,0,0]=3 8280 B14R2.24 Nc1ccccc1C2CCCCC2 Amb33473705 [0,1,0,1,0,0|1,0,0]=3 8281 B14R2.24 Nc1ccccc1C2CCCCN2 Amb25865831 [0,1,0,1,0,0|1,0,0]=3 8282 B14R2.24 Nc1ccccc1C2CCCNC2 Amb24321329 [0,1,0,1,0,0|2,0,0]=4 8283 B14R2.24 Nc1ccccc1C2CCCOC2 Amb20617126 [0,1,0,1,0,0|2,0,0]=4 8284 B14R2.24 Nc1ccccc1C2CCNCC2 Amb18196565 [0,1,0,1,0,0|2,0,0]=4 8285 B14R2.24 Nc1ccccc1C2CCNCC2 Amb2699991 [0,1,0,1,0,0|2,0,0]=4 8286 B14R2.24 Nc1ccccc1C2CCOCC2 Amb20617123 [0,1,0,1,0,0|2,0,0]=4 8287 B14R2.24 Nc1ccccc1C2CNCCN2 Amb28121850 [0,1,0,1,0,0|2,0,0]=4 8288 B14R2.24 Nc1ccccc1C2CNCCO2 Amb27468617 [0,1,0,1,0,0|1,0,0]=3 8289 B14R2.24 Nc1ccccc1C2OCCCO2 Amb17335327 [0,1,0,1,0,0|1,0,0]=3 8290 B14R2.24 Nc1ccccc1C2SCCCS2 Amb17595695 [0,1,0,1,0,0|1,1,0]=4 8291 B14R2.24 Nc1ccccc1N2CCCCC2 Amb1198496 [0,1,0,1,0,0|2,0,0]=4 8292 B14R2.24 Nc1ccccc1[C@H]2CNCCN2 Amb27168696 [0,1,0,1,0,0|2,0,0]=4 8293 B14R2.24 Nc1ccccc1[C@H]2COCCN2 Amb27261609 [0,1,0,1,0,0|2,0,0]=4 8294 B14R2.24 Nc1cccnc1C2CCCCC2 Amb18196505 [0,1,0,1,0,0|2,0,0]=4 8295 B14R2.24 Nc1cccnc1C2COCCO2 Amb24318983 [0,1,0,1,0,0|2,0,0]=4 8296 B14R2.24 Nc1cccnc1[C@H]2CCCCN2 Amb28243658 [0,1,0,1,0,0|2,0,0]=4 8297 B14R2.24 Nc1ccncc1C2CCCCC2 Amb24319532 [0,1,0,1,0,0|2,0,0]=4 8298 B14R2.24 Nc1ccncc1C2CCCCO2 Amb24322641 [0,1,0,1,0,0|1,0,0]=3 8299 B14R2.24 Nc1ccncc1C2COCCO2 Amb24318980 [0,1,0,1,0,0|2,0,0]=4 8300 B14R2.24 Nc1ccncc1N2CCCCO2 Amb27763898 [0,1,0,1,0,0|2,0,0]=4 8301 B14R2.24 Nc1ccncc1[C@H]2CCCCN2 Amb28255445 [0,1,0,1,0,0|2,0,0]=4 8302 B14R2.24 Nc1cnccc1C2CCCCC2 Amb18196507 [0,1,0,1,0,0|2,0,0]=4 8303 B14R2.24 Nc1cnccc1C2CCCCO2 Amb24322639 [0,1,0,1,0,0|1,0,0]=3 8304 B14R2.24 Nc1cnccc1[C@@H]2CCCCN2 Amb27267933 [0,1,0,1,0,0|2,0,0]=4 8305 B14R2.24 Nc1ncccc1C2CCCCC2 Amb18196506 [0,1,0,1,0,0|2,0,0]=4 8306 B14R2.24 Nc1ncccc1C2CCCCN2 Amb23445323 [0,1,0,1,0,0|2,0,0]=4 8307 B14R2.24 Nc1ncccc1C2COCCO2 Amb24318985 [0,1,0,1,0,0|2,0,0]=4 8308 B14R2.24 Nc1ncccc1[C@@H]2CCCCN2 Amb27832411 [0,1,0,1,0,0|2,0,0]=4 8309 B14R2.24 Nc1nccnc1C2CCCCO2 Amb35743367 [0,1,0,1,0,0|2,0,0]=4 8310 B14R2.24 O=C1CCCCC1c2ccccc2 Amb1229912 [0,1,0,1,0,0|0,0,1]=3 8311 B14R2.24 O=C1CCCCC1c2cccnc2 Amb18183934 [0,1,0,1,0,0|1,0,1]=4 8312 B14R2.24 O=C1CCCCN1c2ccccc2 Amb17233112 [0,1,0,1,0,0|0,0,2]=4 8313 B14R2.24 O=C1CCCC[C@@H]1c2ccccc2 Amb27878571 [0,1,0,1,0,0|0,0,1]=3 8314 B14R2.24 O=C1CCCC[C@H]1c2ccccc2 Amb8384672 [0,1,0,1,0,0|0,0,1]=3 8315 B14R2.24 O=C1CCCSC1c2ccccc2 Amb27209043 [0,1,0,1,0,0|0,0,2]=4 8316 B14R2.24 O=C1CCNCC1c2ccccc2 Amb18197173 [0,1,0,1,0,0|0,0,2]=4 8317 B14R2.24 O=C1CCOCC1c2ccccc2 Amb19889902 [0,1,0,1,0,0|0,0,2]=4 8318 B14R2.24 O=C1NC=CN=C1C2CCCCO2 Amb35584160 [0,1,0,1,0,0|2,0,0]=4 8319 B14R2.24 O=C1NCCCC1c2ccccc2 Amb17400500 [0,1,0,1,0,0|0,0,2]=4 8320 B14R2.24 O=C1NCCOC1c2ccccc2 Amb28243451 [0,1,0,1,0,0|1,0,1]=4 8321 B14R2.24 O=C1OCCCC1c2ccccc2 Amb28146068 [0,1,0,1,0,0|0,0,2]=4 8322 B14R2.24 O=S1CCCSC1c2ccccc2 Amb3987783 [0,1,0,1,0,0|1,0,1]=4 8323 B14R2.24 O=S1CCNCC1c2ccccc2 Amb18864028 [0,1,0,1,0,0|1,0,1]=4 8324 B14R2.24 O=S1CCNC[C@H]1c2ccccc2 Amb27643356 [0,1,0,1,0,0|1,0,1]=4 8325 B14R2.24 OC1C=CCOC1c2ccccc2 Amb27394757 [0,1,0,1,0,0|0,0,2]=4 8326 B14R2.24 OC1CCC=CC1c2ccccc2 Amb27415291 [0,1,0,1,0,0|0,0,1]=3 8327 B14R2.24 OC1CCCCC1c2ccccc2 Amb4005667 [0,1,0,1,0,0|0,0,0]=2 8328 B14R2.24 OC1CCCCC1c2ccccn2 Amb2792390 [0,1,0,1,0,0|1,0,0]=3 8329 B14R2.24 OC1CCCCC1c2cccnc2 Amb18804651 [0,1,0,1,0,0|1,0,0]=3 8330 B14R2.24 OC1CCCCC1c2cnccn2 Amb27644235 [0,1,0,1,0,0|2,0,0]=4 8331 B14R2.24 OC1CCCCC1c2cncnc2 Amb18184364 [0,1,0,1,0,0|2,0,0]=4 8332 B14R2.24 OC1CCCCP1c2ccccc2 Amb27472693 [0,1,0,1,0,0|0,0,0]=2 8333 B14R2.24 OC1CCCNC1c2ccccc2 Amb27631387 [0,1,0,1,0,0|0,0,0]=2 8334 B14R2.24 OC1CCCNC1c2ccccn2 Amb18195239 [0,1,0,1,0,0|1,0,0]=3 8335 B14R2.24 OC1CCCNC1c2cccnn2 Amb18194530 [0,1,0,1,0,0|2,0,0]=4 8336 B14R2.24 OC1CCCNC1c2ccncc2 Amb18195238 [0,1,0,1,0,0|1,0,0]=3 8337 B14R2.24 OC1CCCNC1c2ccncn2 Amb18194531 [0,1,0,1,0,0|2,0,0]=4 8338 B14R2.24 OC1CCNCC1c2ccccc2 Amb26376883 [0,1,0,1,0,0|0,0,0]=2 8339 B14R2.24 OC1CNCCC1c2ccccc2 Amb18648066 [0,1,0,1,0,0|0,0,0]=2 8340 B14R2.24 OC1CNCCC1c2ccccc2 Amb34151968 [0,1,0,1,0,0|0,0,0]=2 8341 B14R2.24 ON1CCCC[C@@H]1c2ccccc2 Amb27478650 [0,1,0,1,0,0|0,0,0]=2 8342 B14R2.24 O[C@@H]1C=CCO[C@H]1c2ccccc2 Amb27853774 [0,1,0,1,0,0|0,0,2]=4 8343 B14R2.24 O[C@@H]1CCCCC1c2ccccc2 Amb27179098 [0,1,0,1,0,0|0,0,0]=2 8344 B14R2.24 O[C@@H]1CCCC[C@@H]1c2ccccc2 Amb27844166 [0,1,0,1,0,0|0,0,0]=2 8345 B14R2.24 O[C@@H]1CCCC[C@@H]1c2cccnc2 Amb33457487 [0,1,0,1,0,0|1,0,0]=3 8346 B14R2.24 O[C@@H]1CCCC[C@H]1c2ccccc2 Amb8384673 [0,1,0,1,0,0|0,0,0]=2 8347 B14R2.24 O[C@@H]1CCCC[C@H]1c2ccccn2 Amb17934237 [0,1,0,1,0,0|1,0,0]=3 8348 B14R2.24 O[C@@H]1CCCC[C@H]1c2cccnc2 Amb27775465 [0,1,0,1,0,0|1,0,0]=3 8349 B14R2.24 O[C@@H]1CCCC[C@H]1c2cnccn2 Amb33213603 [0,1,0,1,0,0|2,0,0]=4 8350 B14R2.24 O[C@@H]1CCCC[C@H]1c2cncnc2 Amb25377814 [0,1,0,1,0,0|2,0,0]=4 8351 B14R2.24 O[C@@H]1CCCN[C@@H]1c2ccccc2 Amb23437772 [0,1,0,1,0,0|0,0,0]=2 8352 B14R2.24 O[C@@H]1CCCN[C@H]1c2ccccc2 Amb27642377 [0,1,0,1,0,0|0,0,0]=2 8353 B14R2.24 O[C@H]1C=CCN[C@@H]1c2ccccc2 Amb27645451 [0,1,0,1,0,0|0,0,2]=4 8354 B14R2.24 O[C@H]1C=CCO[C@H]1c2ccccc2 Amb28207242 [0,1,0,1,0,0|0,0,2]=4 8355 B14R2.24 O[C@H]1CCCC[C@@H]1c2ccccc2 Amb20242422 [0,1,0,1,0,0|0,0,0]=2 8356 B14R2.24 O[C@H]1CCCC[C@H]1c2ccccc2 Amb28066562 [0,1,0,1,0,0|0,0,0]=2 8357 B14R2.24 O[C@H]1CCCC[C@H]1c2cccnc2 Amb27266039 [0,1,0,1,0,0|1,0,0]=3 8358 B14R2.24 O[C@H]1CCCC[C@H]1c2cncnc2 Amb28145060 [0,1,0,1,0,0|2,0,0]=4 8359 B14R2.24 O[C@H]1CCCN[C@H]1c2ccccc2 Amb27453699 [0,1,0,1,0,0|0,0,0]=2 8360 B14R2.24 O[C@H]1CNCC[C@@H]1c2ccccc2 Amb34913055 [0,1,0,1,0,0|0,0,0]=2 8361 B14R2.24 Oc1ccccc1C2=CCCCC2 Amb23441393 [0,1,0,1,0,0|1,0,1]=4 8362 B14R2.24 Oc1ccccc1C2C=CCCC2 Amb27199160 [0,1,0,1,0,0|1,0,1]=4 8363 B14R2.24 Oc1ccccc1C2CCCCC2 Amb17689152 [0,1,0,1,0,0|1,0,0]=3 8364 B14R2.24 Oc1ccccc1C2CCCCN2 Amb25843757 [0,1,0,1,0,0|1,0,0]=3 8365 B14R2.24 Oc1ccccc1C2CCCNC2 Amb18062872 [0,1,0,1,0,0|2,0,0]=4 8366 B14R2.24 Oc1ccccc1C2CCCOC2 Amb20617127 [0,1,0,1,0,0|2,0,0]=4 8367 B14R2.24 Oc1ccccc1C2CCNCC2 Amb1102266 [0,1,0,1,0,0|2,0,0]=4 8368 B14R2.24 Oc1ccccc1C2CCNCC2 Amb2136973 [0,1,0,1,0,0|2,0,0]=4 8369 B14R2.24 Oc1ccccc1C2CCNCC2 Amb24117832 [0,1,0,1,0,0|2,0,0]=4 8370 B14R2.24 Oc1ccccc1C2CCOCC2 Amb20617124 [0,1,0,1,0,0|2,0,0]=4 8371 B14R2.24 Oc1ccccc1C2CCSCC2 Amb27259523 [0,1,0,1,0,0|2,0,0]=4 8372 B14R2.24 Oc1ccccc1C2CNCCO2 Amb26961758 [0,1,0,1,0,0|1,0,0]=3 8373 B14R2.24 Oc1ccccc1C2COCCN2 Amb25709140 [0,1,0,1,0,0|2,0,0]=4 8374 B14R2.24 Oc1ccccc1[C@@H]2CCCCN2 Amb27874037 [0,1,0,1,0,0|1,0,0]=3 8375 B14R2.24 Oc1ccccc1[C@@H]2CNCCN2 Amb27469645 [0,1,0,1,0,0|2,0,0]=4 8376 B14R2.24 Oc1ccccc1[C@H]2CCCNC2 Amb27493083 [0,1,0,1,0,0|2,0,0]=4 8377 B14R2.24 Oc1ccccc1[C@H]2CNCCN2 Amb28043137 [0,1,0,1,0,0|2,0,0]=4 8378 B14R2.24 Oc1ccccc1[C@H]2COCCN2 Amb28128040 [0,1,0,1,0,0|2,0,0]=4 8379 B14R2.24 Oc1cccnc1C2CCCCN2 Amb28241719 [0,1,0,1,0,0|2,0,0]=4 8380 B14R2.24 Oc1cccnc1[C@@H]2CCCCN2 Amb27593853 [0,1,0,1,0,0|2,0,0]=4 8381 B14R2.24 Oc1cnccc1[C@@H]2CCCCN2 Amb27494060 [0,1,0,1,0,0|2,0,0]=4 8382 B14R2.24 Oc1ncccc1C2CCCCC2 Amb24319286 [0,1,0,1,0,0|2,0,0]=4 8383 B14R2.24 Oc1ncccc1C2CCCCN2 Amb23445257 [0,1,0,1,0,0|2,0,0]=4 8384 B14R2.24 SC1CCCCC1c2ccccc2 Amb26490747 [0,1,0,1,0,0|0,1,0]=3 8385 B14R2.24 Sc1ccccc1C2CCCNC2 Amb27250567 [0,1,0,1,0,0|2,0,0]=4 8386 B14R2.24 Sc1ccccc1[C@@H]2CCCCN2 Amb27494080 [0,1,0,1,0,0|1,0,0]=3 8387 B14R2.24 Sc1ncccc1C2CCCCN2 Amb23508053 [0,1,0,1,0,0|2,0,0]=4 8388 B14R2.30 BrC1CCCC1Cc2cccnc2 Amb27607039 [0,1,0,1,0,0|2,0,0]=4 8389 B14R2.30 BrC1CCCC1Cc2ccncc2 Amb27832072 [0,1,0,1,0,0|2,0,0]=4 8390 B14R2.30 BrC1COCC1Cc2ccccc2 Amb29877885 [0,1,0,1,0,0|1,0,0]=3 8391 B14R2.30 BrC1COCC1Cc2ccccn2 Amb29877892 [0,1,0,1,0,0|2,0,0]=4 8392 B14R2.30 BrC1COCC1Cc2cccnc2 Amb29877890 [0,1,0,1,0,0|2,0,0]=4 8393 B14R2.30 BrC1COCC1Cc2ccncc2 Amb29877891 [0,1,0,1,0,0|2,0,0]=4 8394 B14R2.30 CC1CCCC1Nc2ccccc2 Amb27470643 [0,1,0,1,0,0|1,0,0]=3 8395 B14R2.30 CC1CCCC1Nc2ccccn2 Amb27272983 [0,1,0,1,0,0|2,0,0]=4 8396 B14R2.30 CC1CCCC1Nc2ccncc2 Amb27221797 [0,1,0,1,0,0|2,0,0]=4 8397 B14R2.30 CC1CCCN1Cc2ccccc2 Amb27771867 [0,1,0,1,0,0|1,0,0]=3 8398 B14R2.30 CC1CCCN1Cc2ccccn2 Amb28400555 [0,1,0,1,0,0|2,0,0]=4 8399 B14R2.30 CC1CCCN1Cc2cccnc2 Amb28349573 [0,1,0,1,0,0|2,0,0]=4 8400 B14R2.30 CC1CCN[C@H]1Cc2ccccc2 Amb27947239 [0,1,0,1,0,0|1,0,0]=3 8401 B14R2.30 CC1CNCC1Cc2ccccc2 Amb28056531 [0,1,0,1,0,0|1,0,0]=3 8402 B14R2.30 CC1COCC1Nc2ccccc2 Amb35590885 [0,1,0,1,0,0|2,0,0]=4 8403 B14R2.30 CC1CSCC1Nc2ccccc2 Amb27872676 [0,1,0,1,0,0|2,0,0]=4 8404 B14R2.30 CC1NCCC1Cc2ccccc2 Amb18960801 [0,1,0,1,0,0|1,0,0]=3 8405 B14R2.30 CC1OCCC1Nc2ccccc2 Amb28242101 [0,1,0,1,0,0|2,0,0]=4 8406 B14R2.30 C[C@@H]1CCN[C@H]1Cc2ccccc2 Amb18197090 [0,1,0,1,0,0|1,0,0]=3 8407 B14R2.30 C[C@@H]1CNC[C@H]1Cc2ccccc2 Amb33191275 [0,1,0,1,0,0|1,0,0]=3 8408 B14R2.30 C[C@H]1CCN[C@@H]1Cc2ccccc2 Amb27624379 [0,1,0,1,0,0|1,0,0]=3 8409 B14R2.30 ClC1CCCC1Cc2ccncc2 Amb27181063 [0,1,0,1,0,0|2,0,0]=4 8410 B14R2.30 ClC1CCCC1Nc2ccccn2 Amb27471086 [0,1,0,1,0,0|2,0,0]=4 8411 B14R2.30 ClC1CCCC1Oc2ccccc2 Amb28040809 [0,1,0,1,0,0|1,0,0]=3 8412 B14R2.30 ClC1CCOC1Oc2ccccc2 Amb27632462 [0,1,0,1,0,0|1,0,0]=3 8413 B14R2.30 ClC1COCC1Cc2ccccc2 Amb29877819 [0,1,0,1,0,0|1,0,0]=3 8414 B14R2.30 ClC1COCC1Cc2ccccn2 Amb29877834 [0,1,0,1,0,0|2,0,0]=4 8415 B14R2.30 ClC1COCC1Cc2cccnc2 Amb29877832 [0,1,0,1,0,0|2,0,0]=4 8416 B14R2.30 ClC1COCC1Cc2ccncc2 Amb29877833 [0,1,0,1,0,0|2,0,0]=4 8417 B14R2.30 Cl[C@@H]1CCC[C@@H]1Sc2ccccc2 Amb27219497 [0,1,0,1,0,0|1,0,0]=3 8418 B14R2.30 Cl[C@@H]1CCC[C@H]1Sc2ccccc2 Amb27219834 [0,1,0,1,0,0|1,0,0]=3 8419 B14R2.30 Cl[C@H]1CCC[C@@H]1Sc2ccccc2 Amb28053491 [0,1,0,1,0,0|1,0,0]=3 8420 B14R2.30 FC1CCNC1Cc2ccccc2 Amb27224993 [0,1,0,1,0,0|1,0,0]=3 8421 B14R2.30 F[C@@H]1CNC[C@@H]1Cc2ccccc2 Amb33069652 [0,1,0,1,0,0|1,0,0]=3 8422 B14R2.30 F[C@@H]1CNC[C@@H]1Cc2ccccc2 Amb33069653 [0,1,0,1,0,0|1,0,0]=3 8423 B14R2.30 F[C@H]1CCC[C@H]1Nc2ccncc2 Amb28201645 [0,1,0,1,0,0|2,0,0]=4 8424 B14R2.30 N=C1CCCN1Cc2ccccc2 Amb7777953 [0,1,0,1,0,0|1,0,1]=4 8425 B14R2.30 NC1CCCC1Cc2ccccc2 Amb18284144 [0,1,0,1,0,0|1,0,0]=3 8426 B14R2.30 NC1CCCC1Cc2ccccn2 Amb33548687 [0,1,0,1,0,0|2,0,0]=4 8427 B14R2.30 NC1CCCC1Cc2cccnc2 Amb18196515 [0,1,0,1,0,0|2,0,0]=4 8428 B14R2.30 NC1CCCC1Cc2ccncc2 Amb18196514 [0,1,0,1,0,0|2,0,0]=4 8429 B14R2.30 NC1CCCC1Nc2ccccc2 Amb23590780 [0,1,0,1,0,0|1,0,0]=3 8430 B14R2.30 NC1CCCC1Oc2ccccc2 Amb1130186 [0,1,0,1,0,0|1,0,0]=3 8431 B14R2.30 NC1CCCC1Oc2ccccc2 Amb19341661 [0,1,0,1,0,0|1,0,0]=3 8432 B14R2.30 NC1CCCC1Oc2ccncc2 Amb27605587 [0,1,0,1,0,0|2,0,0]=4 8433 B14R2.30 NC1CCCC1Sc2ccccn2 Amb28249840 [0,1,0,1,0,0|2,0,0]=4 8434 B14R2.30 NC1CCN[C@@H]1Cc2ccccc2 Amb18196512 [0,1,0,1,0,0|1,0,0]=3 8435 B14R2.30 NC1CCOC1Cc2ccccc2 Amb28349412 [0,1,0,1,0,0|0,0,0]=2 8436 B14R2.30 NC1COCC1Cc2ccccc2 Amb29866236 [0,1,0,1,0,0|1,0,0]=3 8437 B14R2.30 NC1COCC1Cc2ccccn2 Amb35608385 [0,1,0,1,0,0|2,0,0]=4 8438 B14R2.30 NC1COCC1Cc2cccnc2 Amb35608412 [0,1,0,1,0,0|2,0,0]=4 8439 B14R2.30 NC1COCC1Cc2ccncc2 Amb35608384 [0,1,0,1,0,0|2,0,0]=4 8440 B14R2.30 NN1CCCC1Cc2ccccc2 Amb25135272 [0,1,0,1,0,0|1,0,0]=3 8441 B14R2.30 N[C@@H]1CCC[C@@H]1Oc2ccccc2 Amb23536469 [0,1,0,1,0,0|1,0,0]=3 8442 B14R2.30 N[C@@H]1CNC[C@@H]1Cc2ccccc2 Amb32709351 [0,1,0,1,0,0|1,0,0]=3 8443 B14R2.30 N[C@H]1CCC[C@H]1Cc2ccccc2 Amb27244825 [0,1,0,1,0,0|1,0,0]=3 8444 B14R2.30 N[C@H]1CNC[C@@H]1Cc2ccccc2 Amb27259451 [0,1,0,1,0,0|1,0,0]=3 8445 B14R2.30 N[C@H]1CNC[C@H]1Cc2ccccc2 Amb27625093 [0,1,0,1,0,0|1,0,0]=3 8446 B14R2.30 O=C1CCCC1Cc2ccccc2 Amb3994669 [0,1,0,1,0,0|0,0,1]=3 8447 B14R2.30 O=C1CCCC1Cc2ccccn2 Amb28347491 [0,1,0,1,0,0|1,0,1]=4 8448 B14R2.30 O=C1CCCC1Cc2cccnc2 Amb26641080 [0,1,0,1,0,0|1,0,1]=4 8449 B14R2.30 O=C1CCCC1Cc2ccncc2 Amb26968274 [0,1,0,1,0,0|1,0,1]=4 8450 B14R2.30 O=C1CCCC1Sc2ccccc2 Amb9269994 [0,1,0,1,0,0|0,0,2]=4 8451 B14R2.30 O=C1CCCN1Cc2ccccc2 Amb6357366 [0,1,0,1,0,0|0,0,2]=4 8452 B14R2.30 O=C1CCNC1Cc2ccccc2 Amb27863834 [0,1,0,1,0,0|0,0,2]=4 8453 B14R2.30 O=C1CCN[C@@H]1Cc2ccccc2 Amb18197192 [0,1,0,1,0,0|0,0,2]=4 8454 B14R2.30 O=C1CCOC1Cc2ccccc2 Amb27802566 [0,1,0,1,0,0|0,0,1]=3 8455 B14R2.30 O=C1COCC1Cc2ccccc2 Amb27599380 [0,1,0,1,0,0|0,0,2]=4 8456 B14R2.30 O=C1NCCC1Cc2ccccc2 Amb33547402 [0,1,0,1,0,0|0,0,2]=4 8457 B14R2.30 O=C1OCCC1Cc2ccccc2 Amb28363627 [0,1,0,1,0,0|0,0,2]=4 8458 B14R2.30 OC1CC=CC1Cc2ccccc2 Amb27972501 [0,1,0,1,0,0|0,0,1]=3 8459 B14R2.30 OC1CC=CC1Oc2ccccc2 Amb27179775 [0,1,0,1,0,0|0,0,2]=4 8460 B14R2.30 OC1CCCC1Cc2ccccc2 Amb18808902 [0,1,0,1,0,0|0,0,0]=2 8461 B14R2.30 OC1CCCC1Cc2ccccn2 Amb26968273 [0,1,0,1,0,0|1,0,0]=3 8462 B14R2.30 OC1CCCC1Cc2cccnc2 Amb24672858 [0,1,0,1,0,0|1,0,0]=3 8463 B14R2.30 OC1CCCC1Cc2ccncc2 Amb26333457 [0,1,0,1,0,0|1,0,0]=3 8464 B14R2.30 OC1CCCC1Cc2cnccn2 Amb30007700 [0,1,0,1,0,0|2,0,0]=4 8465 B14R2.30 OC1CCCC1Nc2ccncc2 Amb27260016 [0,1,0,1,0,0|1,0,0]=3 8466 B14R2.30 OC1CCCC1Sc2ccccn2 Amb19081042 [0,1,0,1,0,0|1,0,0]=3 8467 B14R2.30 OC1CCCC1Sc2cnccn2 Amb28242134 [0,1,0,1,0,0|2,0,0]=4 8468 B14R2.30 OC1CCC[C@@H]1Cc2ccccc2 Amb27260244 [0,1,0,1,0,0|0,0,0]=2 8469 B14R2.30 OC1CCNC1Cc2ccccc2 Amb32410236 [0,1,0,1,0,0|0,0,0]=2 8470 B14R2.30 OC1CCN[C@@H]1Cc2ccccc2 Amb18195900 [0,1,0,1,0,0|0,0,0]=2 8471 B14R2.30 OC1CCN[C@H]1Cc2ccccc2 Amb24489269 [0,1,0,1,0,0|0,0,0]=2 8472 B14R2.30 OC1CCOC1Cc2ccccc2 Amb27179516 [0,1,0,1,0,0|0,0,0]=2 8473 B14R2.30 OC1CNCC1Cc2ccccc2 Amb26848016 [0,1,0,1,0,0|0,0,0]=2 8474 B14R2.30 OC1CNCC1Cc2ccccn2 Amb33213901 [0,1,0,1,0,0|1,0,0]=3 8475 B14R2.30 OC1CNCC1Cc2cccnc2 Amb32950889 [0,1,0,1,0,0|1,0,0]=3 8476 B14R2.30 OC1CNCC1Cc2ccncc2 Amb32950773 [0,1,0,1,0,0|1,0,0]=3 8477 B14R2.30 OC1CNCC1Nc2ccccc2 Amb28384616 [0,1,0,1,0,0|1,0,0]=3 8478 B14R2.30 OC1CNCC1Nc2ccccn2 Amb35667094 [0,1,0,1,0,0|2,0,0]=4 8479 B14R2.30 OC1CNCC1Nc2ccncc2 Amb35667244 [0,1,0,1,0,0|2,0,0]=4 8480 B14R2.30 OC1CNCC1Oc2ccccc2 Amb18128428 [0,1,0,1,0,0|1,0,0]=3 8481 B14R2.30 OC1CNCC1Oc2ccccc2 Amb32752849 [0,1,0,1,0,0|1,0,0]=3 8482 B14R2.30 OC1COCC1Cc2ccccc2 Amb28061951 [0,1,0,1,0,0|0,0,0]=2 8483 B14R2.30 OC1COCC1Cc2ccccn2 Amb32950554 [0,1,0,1,0,0|1,0,0]=3 8484 B14R2.30 OC1COCC1Cc2cccnc2 Amb32945069 [0,1,0,1,0,0|1,0,0]=3 8485 B14R2.30 OC1COCC1Cc2ccncc2 Amb33213818 [0,1,0,1,0,0|1,0,0]=3 8486 B14R2.30 OC1COCC1Nc2ccccc2 Amb18950575 [0,1,0,1,0,0|1,0,0]=3 8487 B14R2.30 OC1COCC1Oc2cccnc2 Amb35612482 [0,1,0,1,0,0|2,0,0]=4 8488 B14R2.30 OC1CSCC1Cc2ccncc2 Amb28045785 [0,1,0,1,0,0|1,0,0]=3 8489 B14R2.30 OC1CSCC1Cc2cnccn2 Amb30007701 [0,1,0,1,0,0|2,0,0]=4 8490 B14R2.30 OC1NCCC1Cc2ccccc2 Amb27650899 [0,1,0,1,0,0|0,0,0]=2 8491 B14R2.30 OC1OCCC1Cc2ccccc2 Amb22752559 [0,1,0,1,0,0|0,0,0]=2 8492 B14R2.30 OC1OCCC1Sc2ccccc2 Amb27415420 [0,1,0,1,0,0|1,0,0]=3 8493 B14R2.30 O[C@@H]1CC=C[C@H]1Sc2ccccc2 Amb28207400 [0,1,0,1,0,0|0,0,2]=4 8494 B14R2.30 O[C@@H]1CCC[C@@H]1Cc2ccccc2 Amb27452089 [0,1,0,1,0,0|0,0,0]=2 8495 B14R2.30 O[C@@H]1CCC[C@@H]1Sc2ccccc2 Amb27207356 [0,1,0,1,0,0|0,0,0]=2 8496 B14R2.30 O[C@@H]1CCC[C@H]1Cc2ccccc2 Amb26905499 [0,1,0,1,0,0|0,0,0]=2 8497 B14R2.30 O[C@@H]1CCC[C@H]1Cc2ccccn2 Amb32945202 [0,1,0,1,0,0|1,0,0]=3 8498 B14R2.30 O[C@@H]1CCC[C@H]1Cc2cccnc2 Amb32944668 [0,1,0,1,0,0|1,0,0]=3 8499 B14R2.30 O[C@@H]1CCC[C@H]1Cc2ccncc2 Amb33213814 [0,1,0,1,0,0|1,0,0]=3 8500 B14R2.30 O[C@@H]1CCC[C@H]1Nc2ccccc2 Amb24726900 [0,1,0,1,0,0|0,0,0]=2 8501 B14R2.30 O[C@@H]1CCC[C@H]1Oc2cccnc2 Amb24396560 [0,1,0,1,0,0|1,0,0]=3 8502 B14R2.30 O[C@@H]1CCC[C@H]1Sc2ccccc2 Amb25839231 [0,1,0,1,0,0|0,0,0]=2 8503 B14R2.30 O[C@@H]1CCC[C@H]1Sc2ccncc2 Amb25176004 [0,1,0,1,0,0|1,0,0]=3 8504 B14R2.30 O[C@@H]1CCC[C@H]1Sc2cnccn2 Amb25973659 [0,1,0,1,0,0|2,0,0]=4 8505 B14R2.30 O[C@@H]1CNC[C@@H]1Nc2ccccn2 Amb35663785 [0,1,0,1,0,0|2,0,0]=4 8506 B14R2.30 O[C@@H]1CNC[C@@H]1Nc2ccncc2 Amb35665370 [0,1,0,1,0,0|2,0,0]=4 8507 B14R2.30 O[C@@H]1CNC[C@H]1Cc2ccccc2 Amb22747057 [0,1,0,1,0,0|0,0,0]=2 8508 B14R2.30 O[C@@H]1CNC[C@H]1Cc2ccccc2 Amb32992315 [0,1,0,1,0,0|0,0,0]=2 8509 B14R2.30 O[C@@H]1CNC[C@H]1Cc2ccccn2 Amb32950578 [0,1,0,1,0,0|1,0,0]=3 8510 B14R2.30 O[C@@H]1CNC[C@H]1Cc2cccnc2 Amb32945339 [0,1,0,1,0,0|1,0,0]=3 8511 B14R2.30 O[C@@H]1CNC[C@H]1Cc2ccncc2 Amb32945048 [0,1,0,1,0,0|1,0,0]=3 8512 B14R2.30 O[C@@H]1CNC[C@H]1Nc2ccccn2 Amb35665413 [0,1,0,1,0,0|2,0,0]=4 8513 B14R2.30 O[C@@H]1CNC[C@H]1Nc2ccncc2 Amb35666941 [0,1,0,1,0,0|2,0,0]=4 8514 B14R2.30 O[C@@H]1CNC[C@H]1Oc2ccccc2 Amb27152197 [0,1,0,1,0,0|1,0,0]=3 8515 B14R2.30 O[C@@H]1CNC[C@H]1Oc2ccccc2 Amb32656009 [0,1,0,1,0,0|1,0,0]=3 8516 B14R2.30 O[C@@H]1CNC[C@H]1Oc2cccnc2 Amb27191035 [0,1,0,1,0,0|2,0,0]=4 8517 B14R2.30 O[C@@H]1COC[C@H]1Cc2ccccc2 Amb26435152 [0,1,0,1,0,0|0,0,0]=2 8518 B14R2.30 O[C@@H]1COC[C@H]1Cc2ccccn2 Amb32944658 [0,1,0,1,0,0|1,0,0]=3 8519 B14R2.30 O[C@@H]1COC[C@H]1Cc2cccnc2 Amb33212850 [0,1,0,1,0,0|1,0,0]=3 8520 B14R2.30 O[C@@H]1COC[C@H]1Cc2ccncc2 Amb32945708 [0,1,0,1,0,0|1,0,0]=3 8521 B14R2.30 O[C@@H]1COC[C@H]1Nc2ccccc2 Amb26444567 [0,1,0,1,0,0|1,0,0]=3 8522 B14R2.30 O[C@@H]1COC[C@H]1Oc2cccnc2 Amb29882838 [0,1,0,1,0,0|2,0,0]=4 8523 B14R2.30 O[C@@H]1COC[C@H]1Sc2ccccc2 Amb35632224 [0,1,0,1,0,0|1,0,0]=3 8524 B14R2.30 O[C@@H]1COC[C@H]1Sc2ccccn2 Amb35632226 [0,1,0,1,0,0|2,0,0]=4 8525 B14R2.30 O[C@@H]1COC[C@H]1Sc2ccncc2 Amb35632225 [0,1,0,1,0,0|2,0,0]=4 8526 B14R2.30 O[C@H]1CCC=C1Sc2ccccc2 Amb27397105 [0,1,0,1,0,0|0,0,2]=4 8527 B14R2.30 O[C@H]1CCC[C@@H]1Cc2ccccn2 Amb27880701 [0,1,0,1,0,0|1,0,0]=3 8528 B14R2.30 O[C@H]1CCC[C@@H]1Oc2ccccc2 Amb27822942 [0,1,0,1,0,0|0,0,0]=2 8529 B14R2.30 O[C@H]1CCC[C@@H]1Oc2cccnc2 Amb27223573 [0,1,0,1,0,0|1,0,0]=3 8530 B14R2.30 O[C@H]1CCC[C@@H]1Sc2ccccc2 Amb28248826 [0,1,0,1,0,0|0,0,0]=2 8531 B14R2.30 O[C@H]1CCC[C@@H]1Sc2ccccn2 Amb27979521 [0,1,0,1,0,0|1,0,0]=3 8532 B14R2.30 O[C@H]1CCC[C@@H]1Sc2ncccn2 Amb27979522 [0,1,0,1,0,0|2,0,0]=4 8533 B14R2.30 O[C@H]1CCC[C@H]1Oc2ccccc2 Amb28286728 [0,1,0,1,0,0|0,0,0]=2 8534 B14R2.30 O[C@H]1CCC\C1=C/c2ccccc2 Amb28065329 [0,1,0,1,0,0|0,0,1]=3 8535 B14R2.30 O[C@H]1CCN[C@H]1Cc2ccccc2 Amb27966070 [0,1,0,1,0,0|0,0,0]=2 8536 B14R2.30 O[C@H]1COC[C@@H]1Cc2ccccc2 Amb27431379 [0,1,0,1,0,0|0,0,0]=2 8537 B14R2.30 O[C@H]1OCC[C@@H]1Sc2ccccc2 Amb27197154 [0,1,0,1,0,0|1,0,0]=3 8538 B14R2.31 CC1CCC1CNc2ccccn2 Amb28434846 [0,1,0,1,0,0|2,0,0]=4 8539 B14R2.31 CC1CCC1CNc2ccncc2 Amb27861091 [0,1,0,1,0,0|2,0,0]=4 8540 B14R2.31 CC1CCC1COc2ccccc2 Amb23455994 [0,1,0,1,0,0|1,0,0]=3 8541 B14R2.31 CC1CCC1NCc2ccccc2 Amb27470421 [0,1,0,1,0,0|1,0,0]=3 8542 B14R2.31 CC1CCC1NCc2ccncc2 Amb28399192 [0,1,0,1,0,0|2,0,0]=4 8543 B14R2.31 NC1CCC1OCc2ccccc2 Amb25139601 [0,1,0,1,0,0|1,0,0]=3 8544 B14R2.31 NC1CCC1OCc2ccccc2 Amb32666027 [0,1,0,1,0,0|1,0,0]=3 8545 B14R2.31 N[C@@H]1CC[C@@H]1OCc2ccccc2 Amb25934784 [0,1,0,1,0,0|1,0,0]=3 8546 B14R2.31 N[C@@H]1CC[C@@H]1OCc2ccccc2 Amb32663801 [0,1,0,1,0,0|1,0,0]=3 8547 B14R2.31 N[C@@H]1CC[C@H]1OCc2ccccc2 Amb26582792 [0,1,0,1,0,0|1,0,0]=3 8548 B14R2.31 N[C@@H]1CC[C@H]1OCc2ccccc2 Amb32663871 [0,1,0,1,0,0|1,0,0]=3 8549 B14R2.31 O=C1CCC1OCc2ccccc2 Amb22896544 [0,1,0,1,0,0|0,0,2]=4 8550 B14R2.31 O=C1CC[C@@H]1OCc2ccccc2 Amb24494962 [0,1,0,1,0,0|0,0,2]=4 8551 B14R2.31 O=C1CC[C@H]1OCc2ccccc2 Amb27972934 [0,1,0,1,0,0|0,0,2]=4 8552 B14R2.31 OC1CCC1C#Cc2ccccc2 Amb32944952 [0,1,0,1,0,0|0,0,1]=3 8553 B14R2.31 OC1CCC1CCc2ccccc2 Amb32944290 [0,1,0,1,0,0|0,0,0]=2 8554 B14R2.31 OC1CCC1NCc2ccccn2 Amb31193602 [0,1,0,1,0,0|1,0,0]=3 8555 B14R2.31 OC1CCC1NCc2ccncc2 Amb31193603 [0,1,0,1,0,0|1,0,0]=3 8556 B14R2.31 OC1CCC1OCc2ccccc2 Amb26351363 [0,1,0,1,0,0|0,0,0]=2 8557 B14R2.31 OC1CCC1\C=C\c2ccccc2 Amb32945104 [0,1,0,1,0,0|0,0,1]=3 8558 B14R2.31 O[C@@H]1CC[C@@H]1OCc2ccccc2 Amb23439338 [0,1,0,1,0,0|0,0,0]=2 8559 B14R2.31 O[C@@H]1CC[C@H]1NCc2ccccn2 Amb27659206 [0,1,0,1,0,0|1,0,0]=3 8560 B14R2.31 O[C@@H]1CC[C@H]1NCc2cccnc2 Amb28244871 [0,1,0,1,0,0|1,0,0]=3 8561 B14R2.31 O[C@@H]1CC[C@H]1OCc2ccccc2 Amb25912132 [0,1,0,1,0,0|0,0,0]=2 8562 B14R2.33 NCC[C@@H]1C[C@H]1Cc2ccccc2 Amb32721299 [0,1,0,1,0,0|1,0,0]=3 8563 B14R2.33 OCC[C@@H]1C[C@H]1Cc2ccccc2 Amb32646037 [0,1,0,1,0,0|0,0,0]=2 8564 B14R2.35 CNCC1CCC1c2cccnc2 Amb28346518 [0,1,0,1,0,0|2,0,0]=4 8565 B14R2.35 CNCC1CCN1c2ccccc2 Amb35581292 [0,1,0,1,0,0|2,0,0]=4 8566 B14R2.35 FCCN1CCC1c2ccccc2 Amb27396550 [0,1,0,1,0,0|1,0,0]=3 8567 B14R2.35 ICCN1CCC1c2ccccc2 Amb28125487 [0,1,0,1,0,0|1,0,0]=3 8568 B14R2.35 NCCN1CCC1c2ccccc2 Amb27771231 [0,1,0,1,0,0|1,0,0]=3 8569 B14R2.49 C[C@H]1C[C@@H]1CNCc2ccccc2 Amb27420014 [0,1,0,1,0,0|1,0,0]=3 8570 B14R2.49 C[C@H]1O[C@H]1CNCc2ccccc2 Amb27635195 [0,1,0,1,0,0|1,0,0]=3 8571 B14R2.49 F[C@@H]1C[C@@H]1COCc2ccccc2 Amb28058620 [0,1,0,1,0,0|1,0,0]=3 8572 B14R2.49 F[C@@H]1C[C@H]1COCc2ccccc2 Amb27776191 [0,1,0,1,0,0|1,0,0]=3 8573 B14R2.49 NC1CC1CCOc2ccccc2 Amb33080513 [0,1,0,1,0,0|1,0,0]=3 8574 B14R2.49 N[C@@H]1C[C@H]1CCOc2ccccc2 Amb33080511 [0,1,0,1,0,0|1,0,0]=3 8575 B14R2.49 O[C@@H]1C[C@H]1COCc2ccccc2 Amb28065966 [0,1,0,1,0,0|0,0,0]=2 8576 B14R2.78 CCC1CCC1Nc2cccnc2 Amb28349700 [0,1,0,1,0,0|2,0,0]=4 8577 B14R2.78 CCC1CCN1Cc2cccnc2 Amb27854191 [0,1,0,1,0,0|2,0,0]=4 8578 B14R2.78 NCC1CCC1Cc2ccccc2 Amb27609004 [0,1,0,1,0,0|1,0,0]=3 8579 B14R2.78 NCC1CCC1Cc2ccncc2 Amb27609050 [0,1,0,1,0,0|2,0,0]=4 8580 B14R2.78 NCC1CCN1Cc2ccccc2 Amb22494167 [0,1,0,1,0,0|1,0,0]=3 8581 B14R2.78 NCC1CCN1Cc2ccccc2 Amb9677559 [0,1,0,1,0,0|1,0,0]=3 8582 B14R2.78 NCC1CCN1Cc2ccccn2 Amb33252037 [0,1,0,1,0,0|2,0,0]=4 8583 B14R2.78 NCC1CCN1Cc2cccnc2 Amb33252038 [0,1,0,1,0,0|2,0,0]=4 8584 B14R2.78 NCC1CCN1Cc2ccncc2 Amb33250904 [0,1,0,1,0,0|2,0,0]=4 8585 B14R2.78 NC[C@H]1CCN1Cc2ccccc2 Amb28135279 [0,1,0,1,0,0|1,0,0]=3 8586 B14R2.78 O=C[C@H]1CCN1Cc2ccccc2 Amb26881252 [0,1,0,1,0,0|0,0,2]=4 8587 B14R2.78 OCC1CCN1Cc2ccccc2 Amb21960873 [0,1,0,1,0,0|0,0,0]=2 8588 B14R2.78 OC[C@H]1CCN1Cc2ccccc2 Amb27249667 [0,1,0,1,0,0|0,0,0]=2 8589 B14R2.87 CC[C@@H]1C[C@H]1CNc2ccncc2 Amb28399725 [0,1,0,1,0,0|2,0,0]=4 8590 B14R2.87 CNC1CC1COc2ccccc2 Amb32428656 [0,1,0,1,0,0|2,0,0]=4 8591 B14R2.87 COC1CC1CNc2ccccc2 Amb35671317 [0,1,0,1,0,0|1,0,0]=3 8592 B14R2.87 N#CC1CC1CSc2ccccc2 Amb27609305 [0,1,0,1,0,0|1,0,1]=4 8593 B14R2.87 NCC1CC1CCc2ccccc2 Amb32951857 [0,1,0,1,0,0|1,0,0]=3 8594 B14R2.87 NCC1CC1COc2ccccc2 Amb32428659 [0,1,0,1,0,0|1,0,0]=3 8595 B14R2.87 NCC1CC1\C=C\c2ccccc2 Amb33080796 [0,1,0,1,0,0|1,0,1]=4 8596 B14R2.87 NC[C@@H]1C[C@H]1CCc2ccccc2 Amb32951856 [0,1,0,1,0,0|1,0,0]=3 8597 B14R2.87 NC[C@@H]1C[C@H]1\C=C\c2ccccc2 Amb33080795 [0,1,0,1,0,0|1,0,1]=4 8598 B14R2.87 O=CC1CC1COc2ccccc2 Amb32428658 [0,1,0,1,0,0|0,0,2]=4 8599 B14R2.87 OCC1CC1C#Cc2ccccc2 Amb28138539 [0,1,0,1,0,0|0,0,1]=3 8600 B14R2.87 OCC1CC1COc2ccccc2 Amb32428655 [0,1,0,1,0,0|0,0,0]=2 8601 B14R2.87 OCC1OC1\C=C\c2ccccc2 Amb28205977 [0,1,0,1,0,0|0,0,2]=4 8602 B14R2.87 OC[C@@H]1C[C@@H]1C#Cc2ccccc2 Amb27214228 [0,1,0,1,0,0|0,0,1]=3 8603 B14R2.87 OC[C@H]1C[C@@H]1C#Cc2ccccc2 Amb28286221 [0,1,0,1,0,0|0,0,1]=3 8604 B14R2.87 OC[C@H]1C[C@H]1C#Cc2ccccc2 Amb27653083 [0,1,0,1,0,0|0,0,1]=3 8605 B14R2.101 C(#CC1CCCN1)c2ccccc2 Amb27264449 [0,1,0,1,0,0|1,0,1]=4 8606 B14R2.101 C(/Nc1ccccc1)=C2\CCCO2 Amb27453572 [0,1,0,1,0,0|0,0,2]=4 8607 B14R2.101 C(=C\C1CCCN1)/c2ccccc2 Amb23536589 [0,1,0,1,0,0|1,0,1]=4 8608 B14R2.101 C(=C\C1CCCO1)/c2ccccc2 Amb4103388 [0,1,0,1,0,0|0,0,1]=3 8609 B14R2.101 C(=C\C1OCCO1)/c2ccccc2 Amb26483959 [0,1,0,1,0,0|0,0,2]=4 8610 B14R2.101 C(=N\C1CCCO1)/c2ccccc2 Amb26008253 [0,1,0,1,0,0|0,0,1]=3 8611 B14R2.101 C1=C(CCc2ccccc2)CCC1 Amb28288576 [0,1,0,1,0,0|1,0,0]=3 8612 B14R2.101 C1=C(CNc2ccccc2)CCC1 Amb27233641 [0,1,0,1,0,0|1,0,1]=4 8613 B14R2.101 C1=C(CNc2ccccc2)OCC1 Amb27873530 [0,1,0,1,0,0|0,0,2]=4 8614 B14R2.101 C1=CC(CCc2ccccc2)NC1 Amb27493633 [0,1,0,1,0,0|1,0,1]=4 8615 B14R2.101 C1=CC(OCc2ccccc2)OC1 Amb8394302 [0,1,0,1,0,0|0,0,2]=4 8616 B14R2.101 C1=C[C@H](NCc2ccccc2)CC1 Amb27608598 [0,1,0,1,0,0|1,0,1]=4 8617 B14R2.101 c1cc(CCC2CCCN2)ccn1 Amb8010081 [0,1,0,1,0,0|2,0,0]=4 8618 B14R2.101 c1cc(CCN2CCCC2)ccn1 Amb590690 [0,1,0,1,0,0|2,0,0]=4 8619 B14R2.101 c1cc(CNC2CCCC2)ccn1 Amb6356058 [0,1,0,1,0,0|2,0,0]=4 8620 B14R2.101 c1cc(CNC2CCCC2)ccn1 Amb6767951 [0,1,0,1,0,0|2,0,0]=4 8621 B14R2.101 c1cc(CNC2CCOC2)ccn1 Amb28242179 [0,1,0,1,0,0|2,0,0]=4 8622 B14R2.101 c1cc(CSC2CCCC2)ccn1 Amb27853668 [0,1,0,1,0,0|2,0,0]=4 8623 B14R2.101 c1cc(NCC2CCCN2)ccn1 Amb18992983 [0,1,0,1,0,0|2,0,0]=4 8624 B14R2.101 c1cc(NCC2CCCO2)ccn1 Amb6626131 [0,1,0,1,0,0|1,0,0]=3 8625 B14R2.101 c1cc(NCC2CCCO2)cnn1 Amb32667984 [0,1,0,1,0,0|2,0,0]=4 8626 B14R2.101 c1cc(NC[C@@H]2CCCN2)ccn1 Amb27230245 [0,1,0,1,0,0|2,0,0]=4 8627 B14R2.101 c1cc(OCC2CCCN2)ccn1 Amb20617172 [0,1,0,1,0,0|2,0,0]=4 8628 B14R2.101 c1cc(OCC2CCCO2)ccn1 Amb20623973 [0,1,0,1,0,0|1,0,0]=3 8629 B14R2.101 c1ccc(CCC2=NCCC2)cc1 Amb17619263 [0,1,0,1,0,0|1,0,0]=3 8630 B14R2.101 c1ccc(CCC2=NCCN2)cc1 Amb18065541 [0,1,0,1,0,0|1,0,1]=4 8631 B14R2.101 c1ccc(CCC2CCCN2)cc1 Amb10609225 [0,1,0,1,0,0|1,0,0]=3 8632 B14R2.101 c1ccc(CCC2CCCN2)cc1 Amb3788238 [0,1,0,1,0,0|1,0,0]=3 8633 B14R2.101 c1ccc(CCC2CCCN2)nc1 Amb8010080 [0,1,0,1,0,0|2,0,0]=4 8634 B14R2.101 c1ccc(CCC2CCNC2)cc1 Amb3940961 [0,1,0,1,0,0|1,0,0]=3 8635 B14R2.101 c1ccc(CCC2CCNC2)nc1 Amb27404207 [0,1,0,1,0,0|2,0,0]=4 8636 B14R2.101 c1ccc(CCC2NCCN2)cc1 Amb28286178 [0,1,0,1,0,0|1,0,0]=3 8637 B14R2.101 c1ccc(CCN2CCCN2)cc1 Amb27779956 [0,1,0,1,0,0|1,0,0]=3 8638 B14R2.101 c1ccc(CC[C@@H]2CCCN2)cc1 Amb27647579 [0,1,0,1,0,0|1,0,0]=3 8639 B14R2.101 c1ccc(CC[C@@H]2CCCN2)nc1 Amb26590908 [0,1,0,1,0,0|2,0,0]=4 8640 B14R2.101 c1ccc(CC[C@@H]2CCCN2)nc1 Amb33456233 [0,1,0,1,0,0|2,0,0]=4 8641 B14R2.101 c1ccc(CC[C@@H]2CCNC2)cc1 Amb27607109 [0,1,0,1,0,0|1,0,0]=3 8642 B14R2.101 c1ccc(CC[C@H]2CCCN2)nc1 Amb33456310 [0,1,0,1,0,0|2,0,0]=4 8643 B14R2.101 c1ccc(CC[C@H]2CCCN2)nc1 Amb33496169 [0,1,0,1,0,0|2,0,0]=4 8644 B14R2.101 c1ccc(CC[C@H]2CCNC2)cc1 Amb28243392 [0,1,0,1,0,0|1,0,0]=3 8645 B14R2.101 c1ccc(CNC2CCCC2)cc1 Amb1681062 [0,1,0,1,0,0|1,0,0]=3 8646 B14R2.101 c1ccc(CNC2CCCC2)cc1 Amb6542574 [0,1,0,1,0,0|1,0,0]=3 8647 B14R2.101 c1ccc(CNC2CCCC2)nc1 Amb6356057 [0,1,0,1,0,0|2,0,0]=4 8648 B14R2.101 c1ccc(CNC2CCNC2)cc1 Amb22011484 [0,1,0,1,0,0|2,0,0]=4 8649 B14R2.101 c1ccc(CNC2CCNC2)cc1 Amb28139195 [0,1,0,1,0,0|2,0,0]=4 8650 B14R2.101 c1ccc(CNC2CCNC2)cc1 Amb34155054 [0,1,0,1,0,0|2,0,0]=4 8651 B14R2.101 c1ccc(CNC2CCOC2)cc1 Amb22490250 [0,1,0,1,0,0|1,0,0]=3 8652 B14R2.101 c1ccc(CNC2CCOC2)nc1 Amb31198025 [0,1,0,1,0,0|2,0,0]=4 8653 B14R2.101 c1ccc(CNC2CCSC2)cc1 Amb6687355 [0,1,0,1,0,0|1,1,0]=4 8654 B14R2.101 c1ccc(CN[C@@H]2CCNC2)cc1 Amb34913920 [0,1,0,1,0,0|2,0,0]=4 8655 B14R2.101 c1ccc(CN[C@H]2CCNC2)cc1 Amb34913501 [0,1,0,1,0,0|2,0,0]=4 8656 B14R2.101 c1ccc(COC2CCCC2)cc1 Amb21856199 [0,1,0,1,0,0|1,0,0]=3 8657 B14R2.101 c1ccc(COC2CCCO2)cc1 Amb22752558 [0,1,0,1,0,0|0,0,0]=2 8658 B14R2.101 c1ccc(COC2CCNC2)cc1 Amb21955016 [0,1,0,1,0,0|2,0,0]=4 8659 B14R2.101 c1ccc(COC2CCNC2)cc1 Amb6357653 [0,1,0,1,0,0|2,0,0]=4 8660 B14R2.101 c1ccc(CO[C@@H]2CCNC2)cc1 Amb10844687 [0,1,0,1,0,0|2,0,0]=4 8661 B14R2.101 c1ccc(CO[C@@H]2CCNC2)cc1 Amb17942800 [0,1,0,1,0,0|2,0,0]=4 8662 B14R2.101 c1ccc(CO[C@H]2CCNC2)cc1 Amb27753363 [0,1,0,1,0,0|2,0,0]=4 8663 B14R2.101 c1ccc(CO[C@H]2CCNC2)cc1 Amb8631445 [0,1,0,1,0,0|2,0,0]=4 8664 B14R2.101 c1ccc(CSC2CCNC2)cc1 Amb18988567 [0,1,0,1,0,0|2,0,0]=4 8665 B14R2.101 c1ccc(CSC2CCNC2)cc1 Amb35745751 [0,1,0,1,0,0|2,0,0]=4 8666 B14R2.101 c1ccc(CSC2CCOC2)cc1 Amb27586140 [0,1,0,1,0,0|1,0,0]=3 8667 B14R2.101 c1ccc(NCC2CCCC2)cc1 Amb17233131 [0,1,0,1,0,0|1,0,0]=3 8668 B14R2.101 c1ccc(NCC2CCCN2)cc1 Amb17226586 [0,1,0,1,0,0|1,0,0]=3 8669 B14R2.101 c1ccc(NCC2CCCN2)cc1 Amb2236197 [0,1,0,1,0,0|1,0,0]=3 8670 B14R2.101 c1ccc(NCC2CCOC2)cc1 Amb9739162 [0,1,0,1,0,0|1,0,0]=3 8671 B14R2.101 c1ccc(NCC2CCOC2)nc1 Amb18975239 [0,1,0,1,0,0|2,0,0]=4 8672 B14R2.101 c1ccc(NCC2CCSC2)cc1 Amb28365825 [0,1,0,1,0,0|1,1,0]=4 8673 B14R2.101 c1ccc(NC[C@@H]2CCCN2)nc1 Amb27585414 [0,1,0,1,0,0|2,0,0]=4 8674 B14R2.101 c1ccc(NC[C@@H]2CCNC2)cc1 Amb28132797 [0,1,0,1,0,0|2,0,0]=4 8675 B14R2.101 c1ccc(NC[C@H]2CCCN2)cc1 Amb6357867 [0,1,0,1,0,0|1,0,0]=3 8676 B14R2.101 c1ccc(NC[C@H]2CCCN2)nc1 Amb28345658 [0,1,0,1,0,0|2,0,0]=4 8677 B14R2.101 c1ccc(NC[C@H]2CCNC2)cc1 Amb35743335 [0,1,0,1,0,0|2,0,0]=4 8678 B14R2.101 c1ccc(NNC2CCCC2)cc1 Amb28061308 [0,1,0,1,0,0|2,0,0]=4 8679 B14R2.101 c1ccc(OCC2CCCC2)nc1 Amb27589473 [0,1,0,1,0,0|2,0,0]=4 8680 B14R2.101 c1ccc(OCC2CCCN2)cc1 Amb32662677 [0,1,0,1,0,0|1,0,0]=3 8681 B14R2.101 c1ccc(OCC2CCCN2)cc1 Amb4135004 [0,1,0,1,0,0|1,0,0]=3 8682 B14R2.101 c1ccc(OCC2CCNC2)cc1 Amb18296501 [0,1,0,1,0,0|2,0,0]=4 8683 B14R2.101 c1ccc(OCC2CCNC2)cc1 Amb21955125 [0,1,0,1,0,0|2,0,0]=4 8684 B14R2.101 c1ccc(OCC2CCOC2)nc1 Amb27802230 [0,1,0,1,0,0|2,0,0]=4 8685 B14R2.101 c1ccc(OCC2OCCO2)cc1 Amb18035951 [0,1,0,1,0,0|1,0,0]=3 8686 B14R2.101 c1ccc(OC[C@@H]2CCCN2)cc1 Amb17051823 [0,1,0,1,0,0|1,0,0]=3 8687 B14R2.101 c1ccc(OC[C@@H]2CCCN2)cc1 Amb22225505 [0,1,0,1,0,0|1,0,0]=3 8688 B14R2.101 c1ccc(OC[C@H]2CCCN2)cc1 Amb24077505 [0,1,0,1,0,0|1,0,0]=3 8689 B14R2.101 c1ccc(OC[C@H]2CCCN2)cc1 Amb27227958 [0,1,0,1,0,0|1,0,0]=3 8690 B14R2.101 c1ccc(OC[C@H]2CCCO2)nc1 Amb28201673 [0,1,0,1,0,0|1,0,0]=3 8691 B14R2.101 c1ccc(PCC2CCCN2)cc1 Amb27462206 [0,1,0,1,0,0|1,0,0]=3 8692 B14R2.101 c1ccc(SCC2CCCC2)cc1 Amb27188649 [0,1,0,1,0,0|1,0,0]=3 8693 B14R2.101 c1ccc(SCC2CCCN2)cc1 Amb18985019 [0,1,0,1,0,0|1,0,0]=3 8694 B14R2.101 c1ccc(SCC2CCCN2)nc1 Amb18985024 [0,1,0,1,0,0|2,0,0]=4 8695 B14R2.101 c1ccc(SCC2CCNC2)cc1 Amb18989013 [0,1,0,1,0,0|2,0,0]=4 8696 B14R2.101 c1ccc(SC[C@@H]2CCCN2)nc1 Amb27415560 [0,1,0,1,0,0|2,0,0]=4 8697 B14R2.101 c1ccc(SC[C@H]2CCCN2)cc1 Amb27759076 [0,1,0,1,0,0|1,0,0]=3 8698 B14R2.101 c1ccc(SC[C@H]2CCCN2)nc1 Amb28397611 [0,1,0,1,0,0|2,0,0]=4 8699 B14R2.101 c1cnc(NCC2CCCO2)nc1 Amb6614030 [0,1,0,1,0,0|2,0,0]=4 8700 B14R2.101 c1cnc(SC[C@H]2CCCO2)cn1 Amb27434123 [0,1,0,1,0,0|2,0,0]=4 8701 B14R2.101 c1cnc(SC[C@H]2CCCO2)nc1 Amb27648346 [0,1,0,1,0,0|2,0,0]=4 8702 B14R2.101 c1cncc(CCC2CCCN2)c1 Amb17400580 [0,1,0,1,0,0|2,0,0]=4 8703 B14R2.101 c1cncc(CCN2CCCN2)c1 Amb27969470 [0,1,0,1,0,0|2,0,0]=4 8704 B14R2.101 c1cncc(CNC2CCCC2)c1 Amb6336170 [0,1,0,1,0,0|2,0,0]=4 8705 B14R2.101 c1cncc(CNC2CCCC2)c1 Amb6767948 [0,1,0,1,0,0|2,0,0]=4 8706 B14R2.101 c1cncc(CNC2CCOC2)c1 Amb27434328 [0,1,0,1,0,0|2,0,0]=4 8707 B14R2.101 c1cncc(NC[C@@H]2CCCN2)c1 Amb27407136 [0,1,0,1,0,0|2,0,0]=4 8708 B14R2.101 c1cncc(NC[C@H]2CCCN2)c1 Amb28382331 [0,1,0,1,0,0|2,0,0]=4 8709 B14R2.101 c1cncc(OCC2CCCC2)c1 Amb27474082 [0,1,0,1,0,0|2,0,0]=4 8710 B14R2.101 c1cncc(OCC2CCCN2)c1 Amb8009556 [0,1,0,1,0,0|2,0,0]=4 8711 B14R2.101 c1cncc(OCC2CCOC2)c1 Amb27479909 [0,1,0,1,0,0|2,0,0]=4 8712 B14R2.101 c1cncc(OCC2OCCO2)c1 Amb26519837 [0,1,0,1,0,0|2,0,0]=4 8713 B14R2.101 c1cncc(OC[C@@H]2CCCN2)c1 Amb34913897 [0,1,0,1,0,0|2,0,0]=4 8714 B14R2.101 c1cncc(OC[C@H]2CCCN2)c1 Amb20241723 [0,1,0,1,0,0|2,0,0]=4 8715 B14R2.101 c1cncc(OC[C@H]2CCCN2)c1 Amb34913481 [0,1,0,1,0,0|2,0,0]=4 8716 B14R2.101 c1cnnc(SCC2CCCO2)c1 Amb27980318 [0,1,0,1,0,0|2,0,0]=4 8717 B14R2.2014 CCC1NCCCc2ccccc21 Amb27406843 [0,1,0,1,0,0|1,0,0]=3 8718 B14R2.2014 CCC1NCCOc2ccccc21 Amb5750851 [0,1,0,1,0,0|2,0,0]=4 8719 B14R2.2014 CCN1CCNCc2ccccc21 Amb17578283 [0,1,0,1,0,0|2,0,0]=4 8720 B14R2.2014 CNC1CCCCc2cccnc21 Amb27476215 [0,1,0,1,0,0|2,0,0]=4 8721 B14R2.2014 CNC1CCCNc2ccccc21 Amb24398350 [0,1,0,1,0,0|2,0,0]=4 8722 B14R2.2014 CNC1CCCOc2ccccc21 Amb9372683 [0,1,0,1,0,0|2,0,0]=4 8723 B14R2.2014 CNC1CCCSc2ccccc21 Amb9401076 [0,1,0,1,0,0|2,0,0]=4 8724 B14R2.2014 CNC1CCNCc2ccccc21 Amb27443812 [0,1,0,1,0,0|2,0,0]=4 8725 B14R2.2014 COC1=NCCCc2ccccc21 Amb27461323 [0,1,0,1,0,0|1,0,1]=4 8726 B14R2.2014 COC1CNCCc2ccccc21 Amb35789430 [0,1,0,1,0,0|1,0,0]=3 8727 B14R2.2014 COC1CNCCc2ccccc21 Amb35789723 [0,1,0,1,0,0|1,0,0]=3 8728 B14R2.2014 NCC1CCCNc2ccccc21 Amb18196481 [0,1,0,1,0,0|1,0,0]=3 8729 B14R2.2014 NCC1CCCSc2ccccc21 Amb18190077 [0,1,0,1,0,0|1,0,0]=3 8730 B14R2.2014 NCC1NCCOc2ccccc21 Amb26345323 [0,1,0,1,0,0|2,0,0]=4 8731 B14R2.2014 NCC1OCCCc2ccccc21 Amb28054846 [0,1,0,1,0,0|1,0,0]=3 8732 B14R2.2014 NNC1CCCOc2ccccc21 Amb17578299 [0,1,0,1,0,0|2,0,0]=4 8733 B14R2.2014 O=CC1CCCCc2ccccc21 Amb20668008 [0,1,0,1,0,0|0,0,1]=3 8734 B14R2.2014 O=NN1CCCCc2ccccc21 Amb27242743 [0,1,0,1,0,0|1,0,1]=4 8735 B14R2.2014 OCC1CCCNc2ccccc21 Amb27441105 [0,1,0,1,0,0|0,0,0]=2 8736 B14R2.2014 OCC1NCCOc2ccccc21 Amb23515112 [0,1,0,1,0,0|1,0,0]=3 8737 B14R2.2014 OCC1NCCOc2ccccc21 Amb32835859 [0,1,0,1,0,0|1,0,0]=3 8738 B14R2.2014 O\N=C1\CCCSc2ccccc21 Amb4015149 [0,1,0,1,0,0|1,0,1]=4 8739 B14R2.2839 c1ccc2c(c1)CCCCCCN2 Amb9783376 [0,1,0,1,0,0|1,0,0]=3 8740 B14R2.2839 c1ccc2c(c1)CCCCCNC2 Amb24740829 [0,1,0,1,0,0|1,0,0]=3 8741 B14R2.2839 c1ccc2c(c1)CSCCCSC2 Amb4004754 [0,1,0,1,0,0|1,1,0]=4 8742 B14R2.2839 c1ccc2c(c1)OCCNCCO2 Amb4011216 [0,1,0,1,0,0|1,0,0]=3 8743 B14R2.2839 c1ccc2c(c1)OCCOCCO2 Amb25676969 [0,1,0,1,0,0|1,0,0]=3 8744 B14R2.3018 c1ccc(CCCNC2CC2)cc1 Amb6249030 [0,1,0,1,0,0|1,0,0]=3 8745 B14R2.3018 c1ccc(CCNCC2CC2)cc1 Amb6686732 [0,1,0,1,0,0|1,0,0]=3 8746 B14R2.3018 c1ccc(CCNCC2CC2)nc1 Amb9423079 [0,1,0,1,0,0|2,0,0]=4 8747 B14R2.3018 c1ccc(CCOCC2CO2)cc1 Amb9208562 [0,1,0,1,0,0|0,0,0]=2 8748 B14R2.3018 c1ccc(CCOCC2CO2)nc1 Amb9208804 [0,1,0,1,0,0|1,0,0]=3 8749 B14R2.3018 c1ccc(COCCC2CO2)cc1 Amb28315137 [0,1,0,1,0,0|0,0,0]=2 8750 B14R2.3018 c1ccc(COCC[C@H]2CO2)cc1 Amb27217956 [0,1,0,1,0,0|0,0,0]=2 8751 B14R2.3018 c1ccc(CONCC2CC2)cc1 Amb27162934 [0,1,0,1,0,0|2,0,0]=4 8752 B14R2.3019 c1ccc(CCCC2CNC2)cc1 Amb32952377 [0,1,0,1,0,0|1,0,0]=3 8753 B14R2.3019 c1ccc(CCNC2CCC2)cc1 Amb18308956 [0,1,0,1,0,0|1,0,0]=3 8754 B14R2.3019 c1ccc(CCNC2CCC2)nc1 Amb18808909 [0,1,0,1,0,0|2,0,0]=4 8755 B14R2.3019 c1ccc(CCOC2CNC2)cc1 Amb19031044 [0,1,0,1,0,0|2,0,0]=4 8756 B14R2.3019 c1ccc(CNCC2CCC2)cc1 Amb6487415 [0,1,0,1,0,0|1,0,0]=3 8757 B14R2.3019 c1ccc(CNCC2CCO2)cc1 Amb27848210 [0,1,0,1,0,0|0,0,0]=2 8758 B14R2.3019 c1ccc(CNCC2CNC2)cc1 Amb28068649 [0,1,0,1,0,0|2,0,0]=4 8759 B14R2.3019 c1ccc(COCC2CCN2)cc1 Amb21959288 [0,1,0,1,0,0|1,0,0]=3 8760 B14R2.3019 c1ccc(COCC2CNC2)cc1 Amb21959278 [0,1,0,1,0,0|2,0,0]=4 8761 B14R2.3019 c1ccc(COCC2COC2)cc1 Amb22899980 [0,1,0,1,0,0|1,0,0]=3 8762 B14R2.3019 c1ccc(COC[C@H]2CCO2)cc1 Amb27486196 [0,1,0,1,0,0|0,0,0]=2 8763 B14R2.3019 c1ccc(CONC2COC2)cc1 Amb28410855 [0,1,0,1,0,0|2,0,0]=4 8764 B14R2.3019 c1ccc(NCCC2CCC2)nc1 Amb27255733 [0,1,0,1,0,0|2,0,0]=4 8765 B14R2.3019 c1ccc(OCCC2CCN2)cc1 Amb33080519 [0,1,0,1,0,0|1,0,0]=3 8766 B14R2.3019 c1ccc(OCCC2CNC2)cc1 Amb33481743 [0,1,0,1,0,0|2,0,0]=4 8767 B14R2.7150 BrCCC1CCCc2ccccc21 Amb25882010 [0,1,0,1,0,0|1,0,0]=3 8768 B14R2.7150 BrCCN1CCCc2ccccc21 Amb20668022 [0,1,0,1,0,0|1,0,0]=3 8769 B14R2.7150 BrCCN1CCCc2ccccc21 Amb22058915 [0,1,0,1,0,0|1,0,0]=3 8770 B14R2.7150 C#CCC1CCCc2ccccc21 Amb33379630 [0,1,0,1,0,0|1,0,0]=3 8771 B14R2.7150 C#CCN1CCCc2ccccc21 Amb18185695 [0,1,0,1,0,0|1,0,1]=4 8772 B14R2.7150 CCCC1CCNc2ccccc21 Amb27666797 [0,1,0,1,0,0|1,0,0]=3 8773 B14R2.7150 CCCC1CNCc2ccccc21 Amb17400523 [0,1,0,1,0,0|1,0,0]=3 8774 B14R2.7150 CCCC1NCCc2ccccc21 Amb18961209 [0,1,0,1,0,0|1,0,0]=3 8775 B14R2.7150 CCCC1NCCc2ccccc21 Amb33330006 [0,1,0,1,0,0|1,0,0]=3 8776 B14R2.7150 CCCN1CCCc2ccccc21 Amb16758250 [0,1,0,1,0,0|1,0,0]=3 8777 B14R2.7150 CCCN1CCNc2ccccc21 Amb17233228 [0,1,0,1,0,0|2,0,0]=4 8778 B14R2.7150 CCNC1CCCc2ccccc21 Amb6277877 [0,1,0,1,0,0|1,0,0]=3 8779 B14R2.7150 CCNC1CCCc2cccnc21 Amb26477230 [0,1,0,1,0,0|2,0,0]=4 8780 B14R2.7150 CCNC1CCNc2ccccc21 Amb24534190 [0,1,0,1,0,0|2,0,0]=4 8781 B14R2.7150 CCNC1CCOc2ccccc21 Amb6259420 [0,1,0,1,0,0|2,0,0]=4 8782 B14R2.7150 CCNC1COCc2ccccc21 Amb24447468 [0,1,0,1,0,0|2,0,0]=4 8783 B14R2.7150 CCOC1CCOc2ccccc21 Amb27231692 [0,1,0,1,0,0|2,0,0]=4 8784 B14R2.7150 CCOC1CNCc2ccccc21 Amb32410197 [0,1,0,1,0,0|2,0,0]=4 8785 B14R2.7150 CCOC1OCCc2ccccc21 Amb27809060 [0,1,0,1,0,0|2,0,0]=4 8786 B14R2.7150 CCSC1CCNc2ccccc21 Amb26579563 [0,1,0,1,0,0|2,0,0]=4 8787 B14R2.7150 CCSC1CCOc2ccccc21 Amb27586049 [0,1,0,1,0,0|2,0,0]=4 8788 B14R2.7150 CNCC1CCCc2ccccc21 Amb9513978 [0,1,0,1,0,0|1,0,0]=3 8789 B14R2.7150 CNCC1CCOc2ccccc21 Amb28368905 [0,1,0,1,0,0|2,0,0]=4 8790 B14R2.7150 CNCC1COCc2ccccc21 Amb27952698 [0,1,0,1,0,0|2,0,0]=4 8791 B14R2.7150 CNCC1NCCc2ccccc21 Amb18956501 [0,1,0,1,0,0|2,0,0]=4 8792 B14R2.7150 CNCC1OCCc2ccccc21 Amb33528353 [0,1,0,1,0,0|2,0,0]=4 8793 B14R2.7150 CNCC1OCCc2ccccc21 Amb4422666 [0,1,0,1,0,0|2,0,0]=4 8794 B14R2.7150 COCC1CCNc2ccccc21 Amb25816923 [0,1,0,1,0,0|1,0,0]=3 8795 B14R2.7150 COCC1NCCc2ccccc21 Amb29848144 [0,1,0,1,0,0|1,0,0]=3 8796 B14R2.7150 CONC1CCCc2cccnc21 Amb27483918 [0,1,0,1,0,0|2,0,0]=4 8797 B14R2.7150 CONC1CCSc2ccccc21 Amb27772707 [0,1,0,1,0,0|2,0,0]=4 8798 B14R2.7150 CO\C=C1\CCCc2ccccc21 Amb26039983 [0,1,0,1,0,0|0,0,2]=4 8799 B14R2.7150 ClCCC1CCCc2ccccc21 Amb27645461 [0,1,0,1,0,0|1,0,0]=3 8800 B14R2.7150 ClCCC1CCCc2ncccc21 Amb27466203 [0,1,0,1,0,0|2,0,0]=4 8801 B14R2.7150 ClCCC1CCOc2ccccc21 Amb27969896 [0,1,0,1,0,0|1,0,0]=3 8802 B14R2.7150 ClCCN1CCCc2ccccc21 Amb17337045 [0,1,0,1,0,0|1,0,0]=3 8803 B14R2.7150 FCCN1CCCc2ccccc21 Amb28281360 [0,1,0,1,0,0|1,0,0]=3 8804 B14R2.7150 FCCN1CCNc2ccccc21 Amb27609303 [0,1,0,1,0,0|2,0,0]=4 8805 B14R2.7150 ICCN1CCCc2ccccc21 Amb28047942 [0,1,0,1,0,0|1,0,0]=3 8806 B14R2.7150 N#CCC1CCCc2ccccc21 Amb18559308 [0,1,0,1,0,0|1,0,0]=3 8807 B14R2.7150 N#CCC1CCNc2ccccc21 Amb24592092 [0,1,0,1,0,0|1,0,1]=4 8808 B14R2.7150 N#CCC1CCOc2ccccc21 Amb23590924 [0,1,0,1,0,0|1,0,1]=4 8809 B14R2.7150 N#CCC1NCCc2ccccc21 Amb1993743 [0,1,0,1,0,0|1,0,1]=4 8810 B14R2.7150 N#CCC1NCCc2ccccc21 Amb1993774 [0,1,0,1,0,0|1,0,1]=4 8811 B14R2.7150 N#CCC1OCCc2ccccc21 Amb24469848 [0,1,0,1,0,0|1,0,1]=4 8812 B14R2.7150 N#CCN1CCCc2ccccc21 Amb3430757 [0,1,0,1,0,0|1,0,1]=4 8813 B14R2.7150 NCCC1=CCCc2ccccc21 Amb25067147 [0,1,0,1,0,0|1,0,1]=4 8814 B14R2.7150 NCCC1CCCc2ccccc21 Amb17226685 [0,1,0,1,0,0|1,0,0]=3 8815 B14R2.7150 NCCC1CCCc2cccnc21 Amb27973127 [0,1,0,1,0,0|2,0,0]=4 8816 B14R2.7150 NCCC1CCNc2ccccc21 Amb18196480 [0,1,0,1,0,0|1,0,0]=3 8817 B14R2.7150 NCCC1CCOc2ccccc21 Amb17233303 [0,1,0,1,0,0|1,0,0]=3 8818 B14R2.7150 NCCC1CCSc2ccccc21 Amb18190086 [0,1,0,1,0,0|1,0,0]=3 8819 B14R2.7150 NCCC1NCCc2ncccc21 Amb18824948 [0,1,0,1,0,0|2,0,0]=4 8820 B14R2.7150 NCCC1OCCc2ccccc21 Amb22642244 [0,1,0,1,0,0|1,0,0]=3 8821 B14R2.7150 NCCN1CCCc2ccccc21 Amb1127123 [0,1,0,1,0,0|1,0,0]=3 8822 B14R2.7150 NCCN1CCCc2ccccc21 Amb8503253 [0,1,0,1,0,0|1,0,0]=3 8823 B14R2.7150 NCCN1CCOc2ccccc21 Amb17063646 [0,1,0,1,0,0|2,0,0]=4 8824 B14R2.7150 NC\C=C1/CCCc2ccccc21 Amb31142421 [0,1,0,1,0,0|1,0,1]=4 8825 B14R2.7150 NNCC1CCCc2ccccc21 Amb18804591 [0,1,0,1,0,0|1,0,0]=3 8826 B14R2.7150 NNCC1OCCc2ccccc21 Amb27483940 [0,1,0,1,0,0|2,0,0]=4 8827 B14R2.7150 NOCC1CCCc2ccccc21 Amb25820940 [0,1,0,1,0,0|0,0,0]=2 8828 B14R2.7150 O=C=NC1CCCc2ccccc21 Amb22347987 [0,1,0,1,0,0|0,0,2]=4 8829 B14R2.7150 O=CCC1CCCc2ccccc21 Amb27488050 [0,1,0,1,0,0|0,0,1]=3 8830 B14R2.7150 O=CCC1CCCc2ncccc21 Amb27257905 [0,1,0,1,0,0|1,0,1]=4 8831 B14R2.7150 O=CNC1CCCc2ccccc21 Amb6360470 [0,1,0,1,0,0|0,0,2]=4 8832 B14R2.7150 O=CN[C@@H]1CCCc2ccccc21 Amb26334915 [0,1,0,1,0,0|0,0,2]=4 8833 B14R2.7150 O=CN[C@H]1CCCc2ccccc21 Amb27450481 [0,1,0,1,0,0|0,0,2]=4 8834 B14R2.7150 OCCC1=CCOc2ccccc21 Amb26347434 [0,1,0,1,0,0|0,0,2]=4 8835 B14R2.7150 OCCC1CCCc2ccccc21 Amb17233225 [0,1,0,1,0,0|0,0,0]=2 8836 B14R2.7150 OCCC1CCCc2cccnc21 Amb27484231 [0,1,0,1,0,0|1,0,0]=3 8837 B14R2.7150 OCCC1CCNc2ccccc21 Amb25047385 [0,1,0,1,0,0|0,0,0]=2 8838 B14R2.7150 OCCC1CCOc2ccccc21 Amb17233434 [0,1,0,1,0,0|0,0,0]=2 8839 B14R2.7150 OCCC1CNCc2ccccc21 Amb22228058 [0,1,0,1,0,0|0,0,0]=2 8840 B14R2.7150 OCCC1NCCc2ccccc21 Amb17193933 [0,1,0,1,0,0|0,0,0]=2 8841 B14R2.7150 OCCN1CCCc2ccccc21 Amb4479376 [0,1,0,1,0,0|0,0,0]=2 8842 B14R2.7150 OCCN1CCOc2ccccc21 Amb11012601 [0,1,0,1,0,0|1,0,0]=3 8843 B14R2.7150 OCCN1CCOc2ccccc21 Amb844199 [0,1,0,1,0,0|1,0,0]=3 8844 B14R2.7150 OCCN1CCOc2ncccc21 Amb21859119 [0,1,0,1,0,0|2,0,0]=4 8845 B14R2.7150 OCC[C@@H]1OCCc2ccccc21 Amb22757041 [0,1,0,1,0,0|0,0,0]=2 8846 B14R2.7150 OCC[C@H]1OCCc2ccccc21 Amb27752370 [0,1,0,1,0,0|0,0,0]=2 8847 B14R2.7150 OC\C=C1/CCOc2ccccc21 Amb34915537 [0,1,0,1,0,0|0,0,2]=4 8848 B14R2.7150 ONCC1CCCc2ccccc21 Amb33375765 [0,1,0,1,0,0|0,0,0]=2 8849 B14R2.7150 S=C=NC1CCCc2ccccc21 Amb19072478 [0,1,0,1,0,0|0,1,1]=4 8850 B14R2.7150 SCCC1CCCc2ccccc21 Amb33379975 [0,1,0,1,0,0|0,1,0]=3 8851 B14R2.7150 SCCN1CCCc2ccccc21 Amb13881724 [0,1,0,1,0,0|0,1,0]=3 8852 B14R2.7150 [C-]#[N+]CC1CCCc2ccccc21 Amb33379660 [0,1,0,1,0,0|1,0,0]=3 8853 B14R2.15 C=CC1C(O)CC1c2ccccc2 Amb27415415 [0,1,0,1,0,0|1,0,1]=4 8854 B14R2.15 CCC1C(=O)CC1c2ccccc2 Amb27608698 [0,1,0,1,0,0|1,0,1]=4 8855 B14R2.15 CCC1C(N)CC1c2ccccc2 Amb28136235 [0,1,0,1,0,0|1,0,0]=3 8856 B14R2.15 CCC1C(O)CC1c2cccnc2 Amb27878277 [0,1,0,1,0,0|2,0,0]=4 8857 B14R2.52 CC1=CCc2ccccc2C(O)C1 Amb27197095 [0,1,0,1,0,0|0,0,2]=4 8858 B14R2.52 CC1CCc2ccccc2C(N)C1 Amb18944007 [0,1,0,1,0,0|1,0,0]=3 8859 B14R2.52 CC1C[C@@H](O)c2ccccc2CS1 Amb27652158 [0,1,0,1,0,0|1,0,0]=3 8860 B14R2.52 CN1CC(N)CCc2ccccc21 Amb27865408 [0,1,0,1,0,0|2,0,0]=4 8861 B14R2.52 CN1CCc2ccccc2C(O)C1 Amb25142465 [0,1,0,1,0,0|1,0,0]=3 8862 B14R2.52 C[C@H]1C=Cc2ccccc2[C@H](O)C1 Amb27422538 [0,1,0,1,0,0|0,0,2]=4 8863 B14R2.52 C[C@H]1CCc2ccccc2C(=O)C1 Amb27828948 [0,1,0,1,0,0|0,0,2]=4 8864 B14R2.52 OC1CCc2ccccc2C(O)C1 Amb27405316 [0,1,0,1,0,0|0,0,0]=2 8865 B14R2.112 BrCCC1COc2ccccc2C1 Amb33431666 [0,1,0,1,0,0|2,0,0]=4 8866 B14R2.112 BrCCC1COc2ccccc2O1 Amb33434171 [0,1,0,1,0,0|2,0,0]=4 8867 B14R2.112 CCCC1CCc2ccccc2N1 Amb20668004 [0,1,0,1,0,0|1,0,0]=3 8868 B14R2.112 CCCC1CNc2ccccc2C1 Amb5746106 [0,1,0,1,0,0|2,0,0]=4 8869 B14R2.112 CCCC1Nc2ccccc2CO1 Amb27848045 [0,1,0,1,0,0|2,0,0]=4 8870 B14R2.112 CCC[C@@H]1CCc2ccccc2N1 Amb27646635 [0,1,0,1,0,0|1,0,0]=3 8871 B14R2.112 CCNC1CCc2ccccc2C1 Amb9777189 [0,1,0,1,0,0|2,0,0]=4 8872 B14R2.112 CCOC1CCc2ccccc2C1 Amb24528095 [0,1,0,1,0,0|2,0,0]=4 8873 B14R2.112 CCOC1CCc2ccccc2O1 Amb21963389 [0,1,0,1,0,0|2,0,0]=4 8874 B14R2.112 CNCC1CCc2ccccc2C1 Amb28241037 [0,1,0,1,0,0|2,0,0]=4 8875 B14R2.112 ClCCN1CCc2ccccc2C1 Amb17337044 [0,1,0,1,0,0|2,0,0]=4 8876 B14R2.112 N#CCC1CCc2ccccc2N1 Amb27180464 [0,1,0,1,0,0|1,0,1]=4 8877 B14R2.112 N#CC[C@H]1CCc2ccccc2N1 Amb28246432 [0,1,0,1,0,0|1,0,1]=4 8878 B14R2.112 NCCC1CCc2ccccc2C1 Amb18956333 [0,1,0,1,0,0|1,0,0]=3 8879 B14R2.112 NCCC1CCc2ccccc2C1 Amb33734648 [0,1,0,1,0,0|1,0,0]=3 8880 B14R2.112 NCCC1CCc2ccccc2N1 Amb18127797 [0,1,0,1,0,0|1,0,0]=3 8881 B14R2.112 NCCC1CCc2ccccc2O1 Amb26858330 [0,1,0,1,0,0|1,0,0]=3 8882 B14R2.112 NCCC1CCc2cccnc2C1 Amb18196499 [0,1,0,1,0,0|2,0,0]=4 8883 B14R2.112 NCCC1CCc2ncccc2C1 Amb35610634 [0,1,0,1,0,0|2,0,0]=4 8884 B14R2.112 NCCC1CNc2ccccc2C1 Amb18196493 [0,1,0,1,0,0|2,0,0]=4 8885 B14R2.112 NCCC1COc2ccccc2C1 Amb18195874 [0,1,0,1,0,0|2,0,0]=4 8886 B14R2.112 NCCC1COc2ccccc2N1 Amb27869939 [0,1,0,1,0,0|2,0,0]=4 8887 B14R2.112 NCCC1COc2ccccc2O1 Amb1085270 [0,1,0,1,0,0|2,0,0]=4 8888 B14R2.112 NCCC1COc2ccccc2O1 Amb22283857 [0,1,0,1,0,0|2,0,0]=4 8889 B14R2.112 NCCC1CSc2ccccc2C1 Amb18190085 [0,1,0,1,0,0|2,0,0]=4 8890 B14R2.112 NCCC1CSc2ccccc2O1 Amb24552717 [0,1,0,1,0,0|2,0,0]=4 8891 B14R2.112 NCCC1CSc2ccccc2O1 Amb28594199 [0,1,0,1,0,0|2,0,0]=4 8892 B14R2.112 NCCN1CCc2ccccc2C1 Amb1128930 [0,1,0,1,0,0|2,0,0]=4 8893 B14R2.112 NCCN1CCc2ccccc2C1 Amb13948988 [0,1,0,1,0,0|2,0,0]=4 8894 B14R2.112 O=CC[C@H]1CCc2ccccc2O1 Amb28054387 [0,1,0,1,0,0|0,0,2]=4 8895 B14R2.112 OCCC1=Cc2ccccc2CC1 Amb28248763 [0,1,0,1,0,0|0,0,1]=3 8896 B14R2.112 OCCC1=Cc2ccccc2CO1 Amb28065904 [0,1,0,1,0,0|1,0,1]=4 8897 B14R2.112 OCCC1CCc2ccccc2N1 Amb27482919 [0,1,0,1,0,0|0,0,0]=2 8898 B14R2.112 OCCC1CCc2ccccc2O1 Amb28292152 [0,1,0,1,0,0|0,0,0]=2 8899 B14R2.112 OCCC1CNc2ccccc2N1 Amb27859076 [0,1,0,1,0,0|1,0,0]=3 8900 B14R2.112 OCCC1COc2ccccc2C1 Amb25926217 [0,1,0,1,0,0|1,0,0]=3 8901 B14R2.112 OCCC1COc2ccccc2N1 Amb27667731 [0,1,0,1,0,0|1,0,0]=3 8902 B14R2.112 OCCC1COc2ccccc2O1 Amb10227655 [0,1,0,1,0,0|1,0,0]=3 8903 B14R2.112 OCCC1Cc2ccccc2CN1 Amb18127997 [0,1,0,1,0,0|1,0,0]=3 8904 B14R2.112 OCCN1CCc2ccccc2C1 Amb33531601 [0,1,0,1,0,0|1,0,0]=3 8905 B14R2.112 OCCN1Cc2ccccc2CO1 Amb27841904 [0,1,0,1,0,0|2,0,0]=4 8906 B14R2.112 OCC[C@@H]1Cc2ccccc2CN1 Amb33483152 [0,1,0,1,0,0|1,0,0]=3 8907 B14R2.112 OCNC1CCc2cccnc2C1 Amb27658908 [0,1,0,1,0,0|2,0,0]=4 8908 B14R2.112 ONCC1COc2ccccc2C1 Amb33273394 [0,1,0,1,0,0|2,0,0]=4 8909 B14R2.112 ONCC1COc2ccccc2O1 Amb27872575 [0,1,0,1,0,0|2,0,0]=4 8910 B14R2.112 SCCC1COc2ccccc2C1 Amb33447546 [0,1,0,1,0,0|1,1,0]=4 8911 B14R2.112 SCCC1COc2ccccc2O1 Amb33326065 [0,1,0,1,0,0|1,1,0]=4 8912 B14R2.112 SCCN1CCc2ccccc2C1 Amb26977630 [0,1,0,1,0,0|1,1,0]=4 8913 B14R2.203 CCC1c2ccccc2CCN1O Amb27441079 [0,1,0,1,0,0|2,0,0]=4 8914 B14R2.203 CCN1c2ccccc2CCC1C Amb27650011 [0,1,0,1,0,0|2,0,0]=4 8915 B14R2.203 CC[C@H]1c2ccccc2CCN1O Amb28243489 [0,1,0,1,0,0|2,0,0]=4 8916 B14R2.203 CC[C@H]1c2ccccc2CN[C@H]1C Amb27423292 [0,1,0,1,0,0|2,0,0]=4 8917 B14R2.203 CN1CCc2ccccc2C1CN Amb17777912 [0,1,0,1,0,0|2,0,0]=4 8918 B14R2.203 CN1CCc2ccccc2C1CN Amb17777916 [0,1,0,1,0,0|2,0,0]=4 8919 B14R2.203 CN[C@@H]1c2ccccc2CC[C@H]1O Amb28429639 [0,1,0,1,0,0|2,0,0]=4 8920 B14R2.203 CN[C@H]1c2ccccc2CC[C@H]1O Amb27446603 [0,1,0,1,0,0|2,0,0]=4 8921 B14R2.203 COC1c2ccccc2CCC1Cl Amb27484027 [0,1,0,1,0,0|2,0,0]=4 8922 B14R2.203 COC1c2ccccc2CCC1O Amb27977910 [0,1,0,1,0,0|2,0,0]=4 8923 B14R2.203 C[C@@H]1COc2ccccc2[C@@H]1CO Amb27221132 [0,1,0,1,0,0|1,0,0]=3 8924 B14R2.203 C[C@H]1C=Cc2ccccc2[C@@H]1CO Amb28319976 [0,1,0,1,0,0|0,0,2]=4 8925 B14R2.203 NC1CCc2ccccc2\C1=N/O Amb28461107 [0,1,0,1,0,0|1,0,1]=4 8926 B14R2.203 NCC1c2ccccc2OCC1O Amb27959042 [0,1,0,1,0,0|2,0,0]=4 8927 B14R2.203 NNC1c2ccccc2CCC1Br Amb27401035 [0,1,0,1,0,0|2,0,0]=4 8928 B14R2.203 O=C1NCc2ccccc2C1CO Amb27749046 [0,1,0,1,0,0|1,0,1]=4 8929 B14R2.203 ON[C@H]1c2ccccc2OC[C@H]1O Amb28286723 [0,1,0,1,0,0|2,0,0]=4 8930 B14R2.344 CC1(CCc2ccccc2)CC1N Amb19001454 [0,1,0,1,0,0|1,0,0]=3 8931 B14R2.344 CC1(COc2ccccc2)CC1N Amb35672560 [0,1,0,1,0,0|2,0,0]=4 8932 B14R2.344 CC1CC1(N)CCc2ccccn2 Amb35722903 [0,1,0,1,0,0|2,0,0]=4 8933 B14R2.344 CC1CC1(O)CCc2cccnc2 Amb27596486 [0,1,0,1,0,0|2,0,0]=4 8934 B14R2.344 CC1OC1(C)CCc2ccccc2 Amb27459816 [0,1,0,1,0,0|2,0,0]=4 8935 B14R2.382 CC1CCOc2cccc(c2)NC1 Amb28121175 [0,1,0,1,0,0|1,0,0]=3 8936 B14R2.436 BrC1CC(OCc2ccccc2)C1 Amb26609837 [0,1,0,1,0,0|2,0,0]=4 8937 B14R2.436 Br[C@H]1C[C@H](OCc2ccccc2)C1 Amb25191467 [0,1,0,1,0,0|2,0,0]=4 8938 B14R2.436 CC1CC(OCc2ccccc2)C1 Amb26362142 [0,1,0,1,0,0|2,0,0]=4 8939 B14R2.436 ClC1CC(NCc2ccccc2)C1 Amb27666840 [0,1,0,1,0,0|2,0,0]=4 8940 B14R2.436 FC1CC(COc2ccccc2)C1 Amb32414985 [0,1,0,1,0,0|2,0,0]=4 8941 B14R2.436 FC1CC(OCc2ccccc2)C1 Amb27814844 [0,1,0,1,0,0|2,0,0]=4 8942 B14R2.436 FC1CN(CCc2ccccc2)C1 Amb28184753 [0,1,0,1,0,0|2,0,0]=4 8943 B14R2.436 F[C@H]1C[C@H](OCc2ccccc2)C1 Amb27792315 [0,1,0,1,0,0|2,0,0]=4 8944 B14R2.436 NC1CC(CCc2ccccc2)C1 Amb27415257 [0,1,0,1,0,0|1,0,0]=3 8945 B14R2.436 NC1CC(CNc2ccccc2)C1 Amb35644417 [0,1,0,1,0,0|2,0,0]=4 8946 B14R2.436 NC1CC(COc2ccccc2)C1 Amb29890773 [0,1,0,1,0,0|2,0,0]=4 8947 B14R2.436 NC1CC(COc2ccccc2)C1 Amb35752102 [0,1,0,1,0,0|2,0,0]=4 8948 B14R2.436 NC1CC(CSc2ccccc2)C1 Amb29892547 [0,1,0,1,0,0|2,0,0]=4 8949 B14R2.436 NC1CC(NCc2ccccc2)C1 Amb27609504 [0,1,0,1,0,0|2,0,0]=4 8950 B14R2.436 NC1CC(OCc2ccccc2)C1 Amb20242212 [0,1,0,1,0,0|2,0,0]=4 8951 B14R2.436 NC1CC(OCc2ccccc2)C1 Amb33156925 [0,1,0,1,0,0|2,0,0]=4 8952 B14R2.436 NC1CN(CCc2ccccc2)C1 Amb28318498 [0,1,0,1,0,0|2,0,0]=4 8953 B14R2.436 N[C@H]1C[C@@H](CNc2ccccc2)C1 Amb30040082 [0,1,0,1,0,0|2,0,0]=4 8954 B14R2.436 N[C@H]1C[C@@H](COc2ccccc2)C1 Amb35751614 [0,1,0,1,0,0|2,0,0]=4 8955 B14R2.436 N[C@H]1C[C@@H](COc2ccccc2)C1 Amb35753087 [0,1,0,1,0,0|2,0,0]=4 8956 B14R2.436 N[C@H]1C[C@@H](OCc2ccccc2)C1 Amb22746995 [0,1,0,1,0,0|2,0,0]=4 8957 B14R2.436 N[C@H]1C[C@@H](OCc2ccccc2)C1 Amb30526921 [0,1,0,1,0,0|2,0,0]=4 8958 B14R2.436 N[C@H]1C[C@H](CNc2ccccc2)C1 Amb29880060 [0,1,0,1,0,0|2,0,0]=4 8959 B14R2.436 N[C@H]1C[C@H](COc2ccccc2)C1 Amb35749919 [0,1,0,1,0,0|2,0,0]=4 8960 B14R2.436 N[C@H]1C[C@H](COc2ccccc2)C1 Amb35752132 [0,1,0,1,0,0|2,0,0]=4 8961 B14R2.436 N[C@H]1C[C@H](OCc2ccccc2)C1 Amb22746997 [0,1,0,1,0,0|2,0,0]=4 8962 B14R2.436 N[C@H]1C[C@H](OCc2ccccc2)C1 Amb22746998 [0,1,0,1,0,0|2,0,0]=4 8963 B14R2.436 O=C1CC(CCc2ccccc2)C1 Amb27235487 [0,1,0,1,0,0|0,0,2]=4 8964 B14R2.436 O=C1C[C@@H](CCc2ccccc2)N1 Amb27413661 [0,1,0,1,0,0|0,0,2]=4 8965 B14R2.436 O=C1C[C@H](CCc2ccccc2)N1 Amb27206618 [0,1,0,1,0,0|0,0,2]=4 8966 B14R2.436 OC1CC(NCc2ccccc2)C1 Amb32410245 [0,1,0,1,0,0|1,0,0]=3 8967 B14R2.436 OC1CC(NCc2ccncc2)C1 Amb28322501 [0,1,0,1,0,0|2,0,0]=4 8968 B14R2.436 OC1CC(OCc2ccccc2)C1 Amb22406212 [0,1,0,1,0,0|1,0,0]=3 8969 B14R2.436 OC1CN(CCc2ccccc2)C1 Amb28427964 [0,1,0,1,0,0|1,0,0]=3 8970 B14R2.436 OC1CN(CCc2cccnc2)C1 Amb28427963 [0,1,0,1,0,0|2,0,0]=4 8971 B14R2.436 O[C@H]1C[C@@H](OCc2ccccc2)C1 Amb22756771 [0,1,0,1,0,0|1,0,0]=3 8972 B14R2.436 O[C@H]1C[C@H](OCc2ccccc2)C1 Amb24534400 [0,1,0,1,0,0|1,0,0]=3 8973 B14R2.436 SC1CC(OCc2ccccc2)C1 Amb32788514 [0,1,0,1,0,0|1,1,0]=4 8974 B14R2.598 CC1CC(=O)CC1c2ccccc2 Amb27409582 [0,1,0,1,0,0|1,0,1]=4 8975 B14R2.598 CC1CC(N)CN1c2ccccc2 Amb19149026 [0,1,0,1,0,0|2,0,0]=4 8976 B14R2.598 CC1CC(c2ccccc2)C(C)N1 Amb19375040 [0,1,0,1,0,0|2,0,0]=4 8977 B14R2.598 CC1CC(c2ccccc2)C(C)N1 Amb22059523 [0,1,0,1,0,0|2,0,0]=4 8978 B14R2.598 CN1CC(N)C(c2ccccc2)C1 Amb18196529 [0,1,0,1,0,0|2,0,0]=4 8979 B14R2.598 CN1CC(N)C(c2ccccc2)C1 Amb20622384 [0,1,0,1,0,0|2,0,0]=4 8980 B14R2.598 CN1C[C@@H](N)[C@H](c2ccccc2)C1 Amb27409746 [0,1,0,1,0,0|2,0,0]=4 8981 B14R2.598 C[C@@H]1CC(O)O[C@H]1c2ccccc2 Amb27852859 [0,1,0,1,0,0|2,0,0]=4 8982 B14R2.598 C[C@H]1CC(=O)C(c2ccccc2)C1 Amb27973094 [0,1,0,1,0,0|0,0,2]=4 8983 B14R2.598 O=C1C[C@@H](c2ccccc2)[C@H](O)C1 Amb28131452 [0,1,0,1,0,0|0,0,1]=3 8984 B14R2.598 O=C1C[C@H](O)[C@H](c2ccccc2)O1 Amb28194239 [0,1,0,1,0,0|1,0,1]=4 8985 B14R2.822 CC1(CCO)CC1c2ccccc2 Amb27443613 [0,1,0,1,0,0|0,0,0]=2 8986 B14R2.2899 CC(NCc1ccccc1)C2CC2 Amb1207852 [0,1,0,1,0,0|2,0,0]=4 8987 B14R2.2899 CC(NCc1ccccc1)C2CC2 Amb15740495 [0,1,0,1,0,0|2,0,0]=4 8988 B14R2.2899 CC(NCc1ccccc1)C2CC2 Amb6383089 [0,1,0,1,0,0|2,0,0]=4 8989 B14R2.2899 CC(NCc1ccccc1)[C@@H]2CO2 Amb27623270 [0,1,0,1,0,0|1,0,0]=3 8990 B14R2.2899 C[C@@H](NCc1ccccc1)C2CC2 Amb33714987 [0,1,0,1,0,0|2,0,0]=4 8991 B14R2.2899 NC(CCc1ccccc1)C2CC2 Amb17138763 [0,1,0,1,0,0|1,0,0]=3 8992 B14R2.2899 NC(CNc1ccccc1)C2CC2 Amb28346473 [0,1,0,1,0,0|2,0,0]=4 8993 B14R2.2899 O=C(CCc1ccccc1)C2CC2 Amb6303743 [0,1,0,1,0,0|1,0,1]=4 8994 B14R2.2899 O=C(OCc1ccccc1)C2CO2 Amb28240799 [0,1,0,1,0,0|1,0,1]=4 8995 B14R2.2899 OC(CCc1ccccc1)C2CC2 Amb17138783 [0,1,0,1,0,0|1,0,0]=3 8996 B14R2.2899 OC(CNc1ccccc1)C2CC2 Amb19031372 [0,1,0,1,0,0|2,0,0]=4 8997 B14R2.2899 O[C@@H](\C=C\c1ccccc1)[C@H]2CO2 Amb27432098 [0,1,0,1,0,0|0,0,2]=4 8998 B14R2.2899 O[C@H](\C=C\c1ccccc1)[C@@H]2CO2 Amb27805449 [0,1,0,1,0,0|0,0,2]=4 8999 B14R2.4656 CC1(CNc2ccccc2)CCC1 Amb27399986 [0,1,0,1,0,0|2,0,0]=4 9000 B14R2.4656 CC1(COc2ccccc2)CCC1 Amb27265502 [0,1,0,1,0,0|2,0,0]=4 9001 B14R2.4656 CC1(COc2ccccc2)CCN1 Amb35630037 [0,1,0,1,0,0|2,0,0]=4 9002 B14R2.4656 NC1(CCc2ccccc2)CCC1 Amb25153455 [0,1,0,1,0,0|1,0,0]=3 9003 B14R2.4656 NC1(COc2ccccc2)CCC1 Amb28071441 [0,1,0,1,0,0|2,0,0]=4 9004 B14R2.4656 OC1(CCc2ccccc2)CNC1 Amb26881509 [0,1,0,1,0,0|2,0,0]=4 9005 B14R2.4656 OC1(CCc2ccccc2)COC1 Amb29871366 [0,1,0,1,0,0|2,0,0]=4 9006 B14R2.4656 OC1(CCc2ccccc2)CSC1 Amb27975923 [0,1,0,1,0,0|2,0,0]=4 9007 B14R2.4656 OC1(COc2ccccc2)CCC1 Amb28140435 [0,1,0,1,0,0|2,0,0]=4 9008 B14R2.4656 OC1(CSc2ccccc2)CCC1 Amb27857200 [0,1,0,1,0,0|2,0,0]=4 9009 B14R2.9718 C#CCC1(N)CCc2ccccc21 Amb35678345 [0,1,0,1,0,0|1,0,1]=4 9010 B14R2.9718 C=CCC1(O)CCc2ccccc21 Amb27416077 [0,1,0,1,0,0|1,0,1]=4 9011 B14R2.9718 CCCC1(C)CNc2ccccc21 Amb27393524 [0,1,0,1,0,0|2,0,0]=4 9012 B14R2.9718 CCCC1(N)CCc2ccccc21 Amb9676191 [0,1,0,1,0,0|1,0,0]=3 9013 B14R2.9718 CNCC1(O)CCc2ccccc21 Amb18964407 [0,1,0,1,0,0|2,0,0]=4 9014 B14R2.9718 COCC1(N)CCc2ccccc21 Amb28323803 [0,1,0,1,0,0|2,0,0]=4 9015 B14R2.9718 COCC1(O)CCc2ccccc21 Amb27779542 [0,1,0,1,0,0|2,0,0]=4 9016 B14R2.9718 NC1(CCF)CCc2ccccc21 Amb27256815 [0,1,0,1,0,0|1,0,0]=3 9017 B14R2.9718 NC1(CCO)CCc2ccccc21 Amb24637501 [0,1,0,1,0,0|0,0,0]=2 9018 B14R2.9718 NCCC1(O)CCc2ccccc21 Amb18195916 [0,1,0,1,0,0|1,0,0]=3 9019 B14R2.9718 NCCC1(O)CCc2ccccc21 Amb35789523 [0,1,0,1,0,0|1,0,0]=3 9020 B14R2.9718 NCCC1(O)CCc2cccnc21 Amb32694261 [0,1,0,1,0,0|2,0,0]=4 9021 B14R2.9718 NCCC1(O)COc2ccccc21 Amb27971190 [0,1,0,1,0,0|2,0,0]=4 9022 B14R2.9718 NCCC1(O)CSc2ccccc21 Amb18189294 [0,1,0,1,0,0|2,0,0]=4 9023 B14R2.9718 OCCC1(O)CCc2ccccc21 Amb27486308 [0,1,0,1,0,0|0,0,0]=2 9024 B14R2.9718 OCC[C@]1(O)CCc2ccccc21 Amb27457919 [0,1,0,1,0,0|0,0,0]=2 9025 B14R2.33858 CCC[C@@H](O)C1Cc2ccccc21 Amb27877800 [0,1,0,1,0,0|1,0,0]=3 9026 B14R2.33858 CCC[C@H](N)C1Cc2ccccc21 Amb27393945 [0,1,0,1,0,0|1,0,0]=3 9027 B14R2.33858 CCC[C@H](O)C1Cc2ccccc21 Amb27412272 [0,1,0,1,0,0|1,0,0]=3 9028 B14R2.19 BrC1CCC(Cc2ccccc2)C1 Amb25345569 [0,1,0,1,0,0|1,0,0]=3 9029 B14R2.19 BrC1CCC(Cc2cccnc2)C1 Amb27483680 [0,1,0,1,0,0|2,0,0]=4 9030 B14R2.19 BrC1CCN(Cc2ccccc2)C1 Amb21861133 [0,1,0,1,0,0|2,0,0]=4 9031 B14R2.19 Br[C@@H]1CCN(Cc2ccccc2)C1 Amb22225143 [0,1,0,1,0,0|2,0,0]=4 9032 B14R2.19 Br[C@H]1CCN(Cc2ccccc2)C1 Amb22225474 [0,1,0,1,0,0|2,0,0]=4 9033 B14R2.19 CC1CC(Cc2ccccc2)CN1 Amb9777222 [0,1,0,1,0,0|2,0,0]=4 9034 B14R2.19 CC1CCC(Nc2ccccc2)C1 Amb25295035 [0,1,0,1,0,0|2,0,0]=4 9035 B14R2.19 CC1CCN(Cc2ccccc2)C1 Amb26319590 [0,1,0,1,0,0|2,0,0]=4 9036 B14R2.19 CC1CNC(Cc2ccccc2)S1 Amb28343147 [0,1,0,1,0,0|1,1,0]=4 9037 B14R2.19 C[C@@H]1CCN(Cc2ccccc2)C1 Amb27645266 [0,1,0,1,0,0|2,0,0]=4 9038 B14R2.19 C[C@@H]1CN[C@H](Cc2ccccc2)C1 Amb27427697 [0,1,0,1,0,0|1,0,0]=3 9039 B14R2.19 C[C@H]1CN[C@@H](Cc2ccccc2)C1 Amb18197087 [0,1,0,1,0,0|1,0,0]=3 9040 B14R2.19 ClC1CCC(Cc2ccccc2)C1 Amb27443400 [0,1,0,1,0,0|1,0,0]=3 9041 B14R2.19 ClC1CCC(Cc2ccncc2)C1 Amb27855920 [0,1,0,1,0,0|2,0,0]=4 9042 B14R2.19 Cl[C@@H]1CCN(Cc2ccccc2)C1 Amb22225145 [0,1,0,1,0,0|2,0,0]=4 9043 B14R2.19 Cl[C@H]1CCN(Cc2ccccc2)C1 Amb22225476 [0,1,0,1,0,0|2,0,0]=4 9044 B14R2.19 F[C@@H]1CCN(Cc2ccccc2)C1 Amb22296663 [0,1,0,1,0,0|2,0,0]=4 9045 B14R2.19 I[C@@H]1CCN(Cc2ccccc2)C1 Amb22225149 [0,1,0,1,0,0|2,0,0]=4 9046 B14R2.19 I[C@H]1CCN(Cc2ccccc2)C1 Amb22225479 [0,1,0,1,0,0|2,0,0]=4 9047 B14R2.19 NC1CCC(Cc2ccccc2)C1 Amb25337996 [0,1,0,1,0,0|1,0,0]=3 9048 B14R2.19 NC1CCN(Cc2ccccc2)C1 Amb1680318 [0,1,0,1,0,0|2,0,0]=4 9049 B14R2.19 NC1CCN(Cc2ccccc2)C1 Amb8396676 [0,1,0,1,0,0|2,0,0]=4 9050 B14R2.19 NC1COC(Cc2ccccc2)C1 Amb35593782 [0,1,0,1,0,0|0,0,0]=2 9051 B14R2.19 N[C@@H]1CCN(Cc2ccccc2)C1 Amb17739648 [0,1,0,1,0,0|2,0,0]=4 9052 B14R2.19 N[C@@H]1CCN(Cc2ccccc2)C1 Amb20242773 [0,1,0,1,0,0|2,0,0]=4 9053 B14R2.19 N[C@@H]1CCN(Cc2ccccc2)C1 Amb4297099 [0,1,0,1,0,0|2,0,0]=4 9054 B14R2.19 N[C@H]1CCN(Cc2ccccc2)C1 Amb3939621 [0,1,0,1,0,0|2,0,0]=4 9055 B14R2.19 N[C@H]1CCN(Cc2ccccc2)C1 Amb8384309 [0,1,0,1,0,0|2,0,0]=4 9056 B14R2.19 O=C1CCC(Cc2ccccc2)C1 Amb24455173 [0,1,0,1,0,0|0,0,2]=4 9057 B14R2.19 O=C1CCC(Cc2ccccc2)N1 Amb6404055 [0,1,0,1,0,0|0,0,2]=4 9058 B14R2.19 O=C1CCC(Cc2ccccc2)O1 Amb20669272 [0,1,0,1,0,0|0,0,1]=3 9059 B14R2.19 O=C1COC(Cc2ccccc2)C1 Amb35718934 [0,1,0,1,0,0|0,0,1]=3 9060 B14R2.19 O=C1NCC(Cc2ccccc2)O1 Amb18061675 [0,1,0,1,0,0|1,0,1]=4 9061 B14R2.19 OC1C=C(Cc2ccccn2)CC1 Amb27870405 [0,1,0,1,0,0|1,0,1]=4 9062 B14R2.19 OC1C=CC(Cc2ccccc2)C1 Amb27651612 [0,1,0,1,0,0|0,0,2]=4 9063 B14R2.19 OC1CC(Cc2ccccc2)CO1 Amb22752560 [0,1,0,1,0,0|1,0,0]=3 9064 B14R2.19 OC1CCC(Cc2ccccc2)C1 Amb27664443 [0,1,0,1,0,0|0,0,0]=2 9065 B14R2.19 OC1CCC(Cc2ccncc2)C1 Amb27180953 [0,1,0,1,0,0|1,0,0]=3 9066 B14R2.19 OC1CCC(Sc2ccccc2)C1 Amb27169917 [0,1,0,1,0,0|1,0,0]=3 9067 B14R2.19 OC1CCN(Cc2ccccc2)C1 Amb9204474 [0,1,0,1,0,0|1,0,0]=3 9068 B14R2.19 OC1CCN(Cc2ccccc2)O1 Amb27753044 [0,1,0,1,0,0|1,0,0]=3 9069 B14R2.19 OC1CCN(Cc2ccccn2)C1 Amb18178567 [0,1,0,1,0,0|2,0,0]=4 9070 B14R2.19 OC1CCN(Cc2ccncc2)C1 Amb18178568 [0,1,0,1,0,0|2,0,0]=4 9071 B14R2.19 OC1CNC(Cc2ccccc2)C1 Amb23454017 [0,1,0,1,0,0|1,0,0]=3 9072 B14R2.19 OC1CON(Cc2ccccc2)C1 Amb27865940 [0,1,0,1,0,0|1,0,0]=3 9073 B14R2.19 OC1CON(Cc2ccncc2)C1 Amb27451402 [0,1,0,1,0,0|2,0,0]=4 9074 B14R2.19 O[C@@H]1CCN(Cc2ccccc2)C1 Amb4606019 [0,1,0,1,0,0|1,0,0]=3 9075 B14R2.19 O[C@@H]1CCN(Cc2ccccn2)C1 Amb22297349 [0,1,0,1,0,0|2,0,0]=4 9076 B14R2.19 O[C@@H]1CCN(Cc2cccnc2)C1 Amb22297344 [0,1,0,1,0,0|2,0,0]=4 9077 B14R2.19 O[C@@H]1CCN(Cc2ccncc2)C1 Amb22297352 [0,1,0,1,0,0|2,0,0]=4 9078 B14R2.19 O[C@@H]1CC[C@H](Nc2ccccn2)C1 Amb27775330 [0,1,0,1,0,0|2,0,0]=4 9079 B14R2.19 O[C@H]1CCN(Cc2ccccc2)C1 Amb2684678 [0,1,0,1,0,0|1,0,0]=3 9080 B14R2.19 O[C@H]1CCN(Cc2ccccn2)C1 Amb22297472 [0,1,0,1,0,0|2,0,0]=4 9081 B14R2.19 O[C@H]1CCN(Cc2ccncc2)C1 Amb22297470 [0,1,0,1,0,0|2,0,0]=4 9082 B14R2.19 SC1CCN(Cc2ccccc2)C1 Amb7808536 [0,1,0,1,0,0|1,1,0]=4 9083 B14R2.19 SC1NCC(Cc2ccccc2)N1 Amb28123190 [0,1,0,1,0,0|1,1,0]=4 9084 B14R2.67 BrCCCC1Cc2ccccc2C1 Amb33432099 [0,1,0,1,0,0|1,0,0]=3 9085 B14R2.67 C#CCCC1Cc2ccccc2C1 Amb33342536 [0,1,0,1,0,0|1,0,1]=4 9086 B14R2.67 C#CCCC1Cc2ccccc2N1 Amb27398906 [0,1,0,1,0,0|1,0,1]=4 9087 B14R2.67 CCCCC1=Cc2ccccc2C1 Amb15692408 [0,1,0,1,0,0|1,0,1]=4 9088 B14R2.67 CCCNC1Cc2ccccc2C1 Amb2182882 [0,1,0,1,0,0|2,0,0]=4 9089 B14R2.67 CCCNC1Cc2ccccc2C1 Amb844698 [0,1,0,1,0,0|2,0,0]=4 9090 B14R2.67 CCCSC1Cc2ccccc2C1 Amb28051413 [0,1,0,1,0,0|2,0,0]=4 9091 B14R2.67 CCNCC1Cc2ccccc2O1 Amb1063472 [0,1,0,1,0,0|2,0,0]=4 9092 B14R2.67 CCNCC1Cc2ccccc2O1 Amb21955704 [0,1,0,1,0,0|2,0,0]=4 9093 B14R2.67 CCOCC1Cc2ccccc2N1 Amb28370419 [0,1,0,1,0,0|2,0,0]=4 9094 B14R2.67 CNCCC1Cc2ccccc2C1 Amb25097431 [0,1,0,1,0,0|2,0,0]=4 9095 B14R2.67 CSCCC1Cc2ccccc2N1 Amb28461083 [0,1,0,1,0,0|2,0,0]=4 9096 B14R2.67 N#CCCC1Cc2ccccc2C1 Amb33143759 [0,1,0,1,0,0|1,0,1]=4 9097 B14R2.67 NCCCC1Cc2ccccc2C1 Amb27606361 [0,1,0,1,0,0|1,0,0]=3 9098 B14R2.67 NCCCC1Oc2ccccc2O1 Amb27762935 [0,1,0,1,0,0|2,0,0]=4 9099 B14R2.67 NCCCN1Cc2ccccc2C1 Amb1130974 [0,1,0,1,0,0|2,0,0]=4 9100 B14R2.67 NCCCN1Cc2ccccc2C1 Amb5248242 [0,1,0,1,0,0|2,0,0]=4 9101 B14R2.67 NCCOC1Cc2ccccc2C1 Amb33342510 [0,1,0,1,0,0|2,0,0]=4 9102 B14R2.67 NOCCC1Cc2ccccc2C1 Amb33342868 [0,1,0,1,0,0|2,0,0]=4 9103 B14R2.67 O=CCCC1Cc2ccccc2C1 Amb33342535 [0,1,0,1,0,0|0,0,2]=4 9104 B14R2.67 OCCCC1Cc2ccccc2C1 Amb25761184 [0,1,0,1,0,0|0,0,0]=2 9105 B14R2.67 OCCCC1Cc2ccccc2N1 Amb27463172 [0,1,0,1,0,0|0,0,0]=2 9106 B14R2.67 OCCCC1Cc2ccccc2O1 Amb27597695 [0,1,0,1,0,0|0,0,0]=2 9107 B14R2.67 OCCCN1Cc2ccccc2C1 Amb17233289 [0,1,0,1,0,0|1,0,0]=3 9108 B14R2.67 OCCCc1cc2ccccc2o1 Amb28341346 [0,1,0,1,0,0|0,0,2]=4 9109 B14R2.67 OCCCc1cc2ccccc2s1 Amb24072161 [0,1,0,1,0,0|0,0,2]=4 9110 B14R2.67 OCCCc1nc2ccccc2s1 Amb10609292 [0,1,0,1,0,0|1,0,1]=4 9111 B14R2.67 OCCNC1Cc2ccccc2C1 Amb9373822 [0,1,0,1,0,0|1,0,0]=3 9112 B14R2.67 OCCSC1Cc2ccccc2C1 Amb28043793 [0,1,0,1,0,0|1,0,0]=3 9113 B14R2.67 OC\C=C\C1Cc2ccccc2C1 Amb33342606 [0,1,0,1,0,0|0,0,2]=4 9114 B14R2.67 SCCCC1Cc2ccccc2C1 Amb33342307 [0,1,0,1,0,0|0,1,0]=3 9115 B14R2.67 [C-]#[N+]CCC1Cc2ccccc2C1 Amb33342893 [0,1,0,1,0,0|2,0,0]=4 9116 B14R2.84 OC[C@@H]1CC(O)[C@H]1c2ccccc2 Amb27978456 [0,1,0,1,0,0|0,0,0]=2 9117 B14R2.90 BrCC1CN(Cc2ccccc2)C1 Amb22499973 [0,1,0,1,0,0|2,0,0]=4 9118 B14R2.90 CCC1CC(Nc2ccccc2)C1 Amb27833286 [0,1,0,1,0,0|2,0,0]=4 9119 B14R2.90 NCC1CC(Cc2ccccc2)C1 Amb25045598 [0,1,0,1,0,0|1,0,0]=3 9120 B14R2.90 NCC1CC(Cc2ccccn2)C1 Amb26514242 [0,1,0,1,0,0|2,0,0]=4 9121 B14R2.90 NCC1CC(Cc2cccnc2)C1 Amb27983022 [0,1,0,1,0,0|2,0,0]=4 9122 B14R2.90 NCC1CC(Cc2ccncc2)C1 Amb26864879 [0,1,0,1,0,0|2,0,0]=4 9123 B14R2.90 NCC1CN(Cc2ccccc2)C1 Amb20240968 [0,1,0,1,0,0|2,0,0]=4 9124 B14R2.90 OCC1CC(Nc2ccccn2)C1 Amb30039567 [0,1,0,1,0,0|2,0,0]=4 9125 B14R2.90 OCC1CC(Nc2ccncc2)C1 Amb30039700 [0,1,0,1,0,0|2,0,0]=4 9126 B14R2.90 OCC1CC(Oc2ccccc2)C1 Amb26596752 [0,1,0,1,0,0|1,0,0]=3 9127 B14R2.90 OCC1CN(Cc2ccccc2)C1 Amb2444593 [0,1,0,1,0,0|1,0,0]=3 9128 B14R2.90 OCC1CN(Cc2ccccn2)C1 Amb22298324 [0,1,0,1,0,0|2,0,0]=4 9129 B14R2.90 OCC1CN(Cc2cccnc2)C1 Amb22298325 [0,1,0,1,0,0|2,0,0]=4 9130 B14R2.90 OCC1CN(Cc2ccncc2)C1 Amb22298328 [0,1,0,1,0,0|2,0,0]=4 9131 B14R2.277 CC1=C(c2ccccc2)C(O)CC1 Amb27399910 [0,1,0,1,0,0|0,0,2]=4 9132 B14R2.277 CN1CCC(N)C1c2ccccc2 Amb18196511 [0,1,0,1,0,0|2,0,0]=4 9133 B14R2.277 CN1CCC(N)C1c2ccccc2 Amb32412000 [0,1,0,1,0,0|2,0,0]=4 9134 B14R2.277 CN1CC[C@@H](N)[C@@H]1c2ccccc2 Amb33033203 [0,1,0,1,0,0|2,0,0]=4 9135 B14R2.277 C[C@H]1CCC(=O)[C@@H]1c2ccccc2 Amb27855033 [0,1,0,1,0,0|0,0,2]=4 9136 B14R2.287 CC1CCC(=O)Cc2ccccc21 Amb26029867 [0,1,0,1,0,0|1,0,1]=4 9137 B14R2.287 CC1CCC(C)c2ccccc2N1 Amb27667825 [0,1,0,1,0,0|2,0,0]=4 9138 B14R2.287 CC1CCC(N)Cc2ccccc21 Amb33096784 [0,1,0,1,0,0|1,0,0]=3 9139 B14R2.287 CC1CNC(C)c2ccccc2C1 Amb28243533 [0,1,0,1,0,0|2,0,0]=4 9140 B14R2.287 CC1Cc2ccccc2C(C)CN1 Amb27206602 [0,1,0,1,0,0|2,0,0]=4 9141 B14R2.287 CC1Cc2ccccc2C(O)CN1 Amb27638953 [0,1,0,1,0,0|1,0,0]=3 9142 B14R2.287 O=C1CCC(O)c2ncccc2C1 Amb27200859 [0,1,0,1,0,0|1,0,1]=4 9143 B14R2.343 CC1CC1C(C)Nc2ccccc2 Amb28342564 [0,1,0,1,0,0|2,0,0]=4 9144 B14R2.343 CC1CC1C(Cl)Cc2ccccc2 Amb18317922 [0,1,0,1,0,0|1,0,0]=3 9145 B14R2.343 CC1CC1C(N)Cc2ccncc2 Amb27181062 [0,1,0,1,0,0|2,0,0]=4 9146 B14R2.343 CC1CC1C(O)Cc2ccccn2 Amb27624440 [0,1,0,1,0,0|2,0,0]=4 9147 B14R2.343 CC1CC1C(O)Cc2cccnc2 Amb27483678 [0,1,0,1,0,0|2,0,0]=4 9148 B14R2.391 CN1CCCCc2ccccc2C1 Amb27946054 [0,1,0,1,0,0|2,0,0]=4 9149 B14R2.391 O=C1CCCCc2ccccc2C1 Amb27260503 [0,1,0,1,0,0|0,0,2]=4 9150 B14R2.391 O=C1CCCCc2ccccc2N1 Amb27250578 [0,1,0,1,0,0|0,0,2]=4 9151 B14R2.391 O=C1CCCCc2ccccc2O1 Amb28242400 [0,1,0,1,0,0|0,0,1]=3 9152 B14R2.411 CC1(Cc2ccccc2)CCCN1 Amb24451316 [0,1,0,1,0,0|1,0,0]=3 9153 B14R2.411 CC1(Cc2ccccc2)CCCN1 Amb32835855 [0,1,0,1,0,0|1,0,0]=3 9154 B14R2.411 CC1(Cc2ccccc2)CCNC1 Amb18966917 [0,1,0,1,0,0|2,0,0]=4 9155 B14R2.411 CC1(Cc2ccccc2)NCCS1 Amb26847865 [0,1,0,1,0,0|1,1,0]=4 9156 B14R2.411 FC1(Cc2ccccc2)CCCC1 Amb27816851 [0,1,0,1,0,0|1,0,0]=3 9157 B14R2.411 NC1(Cc2ccccc2)CCCC1 Amb32990145 [0,1,0,1,0,0|1,0,0]=3 9158 B14R2.411 NC1(Cc2ccccc2)CCCC1 Amb5737622 [0,1,0,1,0,0|1,0,0]=3 9159 B14R2.411 OC1(Cc2ccccc2)CCCC1 Amb9675988 [0,1,0,1,0,0|1,0,0]=3 9160 B14R2.411 OC1(Cc2ccccc2)CCNC1 Amb24470560 [0,1,0,1,0,0|2,0,0]=4 9161 B14R2.411 OC1(Cc2ccccc2)CCNC1 Amb32835522 [0,1,0,1,0,0|2,0,0]=4 9162 B14R2.411 OC1(Cc2ccccc2)CCNC1 Amb33362306 [0,1,0,1,0,0|2,0,0]=4 9163 B14R2.411 OC1(Cc2ccccc2)CCOC1 Amb28427971 [0,1,0,1,0,0|2,0,0]=4 9164 B14R2.411 OC1(Cc2ccccc2)CCSC1 Amb27199269 [0,1,0,1,0,0|2,0,0]=4 9165 B14R2.411 OC1(Cc2ccccn2)CCCC1 Amb27748808 [0,1,0,1,0,0|2,0,0]=4 9166 B14R2.517 C=CCC1c2ccccc2CC1O Amb28065087 [0,1,0,1,0,0|1,0,1]=4 9167 B14R2.517 CC1Cc2ccccc2N1CCCl Amb17337050 [0,1,0,1,0,0|2,0,0]=4 9168 B14R2.517 CC1Cc2ccccc2N1CCI Amb27586076 [0,1,0,1,0,0|2,0,0]=4 9169 B14R2.517 CC1Cc2ccccc2N1CCN Amb9677378 [0,1,0,1,0,0|2,0,0]=4 9170 B14R2.517 CC1Cc2ccccc2N1CCN Amb9713442 [0,1,0,1,0,0|2,0,0]=4 9171 B14R2.517 CCCN1c2ccccc2CC1C Amb27857753 [0,1,0,1,0,0|2,0,0]=4 9172 B14R2.517 CCN[C@@H]1c2ccccc2C[C@@H]1O Amb27231706 [0,1,0,1,0,0|2,0,0]=4 9173 B14R2.517 CN1Cc2ccccc2C1CCN Amb18196566 [0,1,0,1,0,0|2,0,0]=4 9174 B14R2.517 O=C1Cc2ccccc2N1CCO Amb9370317 [0,1,0,1,0,0|1,0,1]=4 9175 B14R2.517 O=C1Nc2ccccc2C1CCO Amb6316168 [0,1,0,1,0,0|1,0,1]=4 9176 B14R2.517 OCCC1c2ccccc2OC1O Amb27179537 [0,1,0,1,0,0|1,0,0]=3 9177 B14R2.727 CC1CCC1(O)Cc2ccccn2 Amb28381432 [0,1,0,1,0,0|2,0,0]=4 9178 B14R2.727 CC1CCC1(O)Cc2cccnc2 Amb28324740 [0,1,0,1,0,0|2,0,0]=4 9179 B14R2.1039 CC1(Cc2ccccc2)CC1CCl Amb27608696 [0,1,0,1,0,0|1,0,0]=3 9180 B14R2.1039 CCC1CC1(O)Cc2cccnc2 Amb27168845 [0,1,0,1,0,0|2,0,0]=4 9181 B14R2.1146 CC1CC(NO)c2ccccc2N1 Amb25837331 [0,1,0,1,0,0|2,0,0]=4 9182 B14R2.1146 CC1Cc2ccccc2C(CN)N1 Amb27974132 [0,1,0,1,0,0|2,0,0]=4 9183 B14R2.1146 CCN1CC(N)Cc2ccccc21 Amb27477544 [0,1,0,1,0,0|2,0,0]=4 9184 B14R2.1146 CC[C@@H]1C[C@H](C)Nc2ccccc21 Amb27966067 [0,1,0,1,0,0|2,0,0]=4 9185 B14R2.1146 CN1Cc2ccccc2C(CN)C1 Amb17400579 [0,1,0,1,0,0|2,0,0]=4 9186 B14R2.1146 O=C1CC(CO)c2ccccc2N1 Amb17138809 [0,1,0,1,0,0|1,0,1]=4 9187 B14R2.9589 BrC(Cc1ccccc1)C2CCC2 Amb27458119 [0,1,0,1,0,0|1,0,0]=3 9188 B14R2.9589 BrC(Cc1ccccn1)C2CCC2 Amb27462998 [0,1,0,1,0,0|2,0,0]=4 9189 B14R2.9589 CC(Nc1ccccc1)C2CCC2 Amb27975448 [0,1,0,1,0,0|2,0,0]=4 9190 B14R2.9589 ClC(Cc1ccccc1)C2CCC2 Amb18317923 [0,1,0,1,0,0|1,0,0]=3 9191 B14R2.9589 NC(Cc1ccccc1)C2CSC2 Amb30014647 [0,1,0,1,0,0|2,0,0]=4 9192 B14R2.9589 NC(Cc1ccncc1)C2CCC2 Amb27181163 [0,1,0,1,0,0|2,0,0]=4 9193 B14R2.9589 O=C(Cc1ccccc1)C2CCC2 Amb18180445 [0,1,0,1,0,0|1,0,1]=4 9194 B14R2.9589 O=C(Oc1ccccc1)C2CCO2 Amb27829234 [0,1,0,1,0,0|1,0,1]=4 9195 B14R2.9589 OC(Cc1ccccc1)C2CSC2 Amb29852086 [0,1,0,1,0,0|2,0,0]=4 9196 B14R2.9593 CN(Cc1ccccc1)CC2CC2 Amb17233128 [0,1,0,1,0,0|2,0,0]=4 9197 B14R2.9593 CN(Cc1ccccc1)CC2CO2 Amb9711892 [0,1,0,1,0,0|1,0,0]=3 9198 B14R2.9593 CN(Cc1ccccc1)C[C@@H]2CO2 Amb27775618 [0,1,0,1,0,0|1,0,0]=3 9199 B14R2.9593 C\C(=C/c1ccccc1)CC2CO2 Amb33476764 [0,1,0,1,0,0|0,0,2]=4 9200 B14R2.2 CC(=O)CC1CCc2ccccc21 Amb26020778 [0,1,0,1,0,0|0,0,2]=4 9201 B14R2.2 CC(Br)CC1CCc2ccccc21 Amb33430894 [0,1,0,1,0,0|1,0,0]=3 9202 B14R2.2 CC(C)CN1CCc2ccccc21 Amb17233127 [0,1,0,1,0,0|2,0,0]=4 9203 B14R2.2 CC(C)NC1CCc2ccccc21 Amb6685456 [0,1,0,1,0,0|2,0,0]=4 9204 B14R2.2 CC(N)CC1CCc2ccccc21 Amb33745573 [0,1,0,1,0,0|1,0,0]=3 9205 B14R2.2 CC(N)CC1CCc2cccnc21 Amb27210649 [0,1,0,1,0,0|2,0,0]=4 9206 B14R2.2 CC(O)CC1=CCc2ccccc21 Amb27970563 [0,1,0,1,0,0|0,0,2]=4 9207 B14R2.2 CC(O)CC1CCc2ccccc21 Amb33145769 [0,1,0,1,0,0|0,0,0]=2 9208 B14R2.2 CC(O)CC1CNc2ccccc21 Amb27433910 [0,1,0,1,0,0|1,0,0]=3 9209 B14R2.2 CC(O)CN1CCc2ccccc21 Amb17138823 [0,1,0,1,0,0|1,0,0]=3 9210 B14R2.2 CC(O)\C=C1\CCc2ccccc21 Amb27651997 [0,1,0,1,0,0|0,0,2]=4 9211 B14R2.2 CN(O)CC1CCc2ccccc21 Amb33146109 [0,1,0,1,0,0|1,0,0]=3 9212 B14R2.2 C[C@@H](N)CC1CCc2ccccc21 Amb33145119 [0,1,0,1,0,0|1,0,0]=3 9213 B14R2.2 C[C@@H](N)CN1CCc2ccccc21 Amb18014358 [0,1,0,1,0,0|2,0,0]=4 9214 B14R2.2 C[C@@H](O)CC1CCc2ccccc21 Amb33226439 [0,1,0,1,0,0|0,0,0]=2 9215 B14R2.2 C[C@@H](O)CN1CCc2ccccc21 Amb27483687 [0,1,0,1,0,0|1,0,0]=3 9216 B14R2.2 C[C@H](N)CC1CCc2ccccc21 Amb33145118 [0,1,0,1,0,0|1,0,0]=3 9217 B14R2.2 C[C@H](N)CN1CCc2ccccc21 Amb5782046 [0,1,0,1,0,0|2,0,0]=4 9218 B14R2.2 C[C@H](O)CC1CCc2ccccc21 Amb33145117 [0,1,0,1,0,0|0,0,0]=2 9219 B14R2.2 N=C(N)CC1CCc2ccccc21 Amb33144967 [0,1,0,1,0,0|1,0,1]=4 9220 B14R2.2 NC(=O)CC1CCc2ccccc21 Amb17233113 [0,1,0,1,0,0|0,0,2]=4 9221 B14R2.2 NC(=S)CC1CCc2ccccc21 Amb33144212 [0,1,0,1,0,0|0,1,1]=4 9222 B14R2.2 O=C(O)CC1CCc2ccccc21 Amb33528469 [0,1,0,1,0,0|0,0,1]=3 9223 B14R2.2 O=C(O)CC1CNc2ccccc21 Amb19429209 [0,1,0,1,0,0|1,0,1]=4 9224 B14R2.2 O=C(O)CC1CNc2ccccc21 Amb6739958 [0,1,0,1,0,0|1,0,1]=4 9225 B14R2.2 O=C(O)CC1COc2ccccc21 Amb26960397 [0,1,0,1,0,0|1,0,1]=4 9226 B14R2.2 O=C(O)CC1CSc2ccccc21 Amb27618125 [0,1,0,1,0,0|1,0,1]=4 9227 B14R2.2 O=C(O)CC1NCc2ccccc21 Amb18196180 [0,1,0,1,0,0|1,0,1]=4 9228 B14R2.2 O=C(O)CC1OCc2ccccc21 Amb18195570 [0,1,0,1,0,0|1,0,1]=4 9229 B14R2.2 O=C(O)CN1CCc2ccccc21 Amb2695675 [0,1,0,1,0,0|1,0,1]=4 9230 B14R2.2 O=C(O)CN1CCc2ccccc21 Amb8630136 [0,1,0,1,0,0|1,0,1]=4 9231 B14R2.2 O=[N+]([O-])CC1CCc2ccccc21 Amb33226437 [0,1,0,1,0,0|1,0,1]=4 9232 B14R2.2 OB(O)CC1CSc2ccccc21 Amb28186667 [0,1,0,1,0,0|2,0,0]=4 9233 B14R2.333 CC1(C)CNCC1c2ccccc2 Amb20668392 [0,1,0,1,0,0|2,0,0]=4 9234 B14R2.333 CC1(C)CNCC1c2ccccc2 Amb22411380 [0,1,0,1,0,0|2,0,0]=4 9235 B14R2.333 CC1(C)NCCC1c2ccccc2 Amb18279937 [0,1,0,1,0,0|2,0,0]=4 9236 B14R2.333 CC1(N)CNCC1c2ccccc2 Amb25305802 [0,1,0,1,0,0|2,0,0]=4 9237 B14R2.333 C[C@@]1(N)CNC[C@H]1c2ccccc2 Amb32721493 [0,1,0,1,0,0|2,0,0]=4 9238 B14R2.333 FC1(F)CNCC1c2ccccc2 Amb35825085 [0,1,0,1,0,0|2,0,0]=4 9239 B14R2.333 O=S1(=O)CCCC1c2ccccc2 Amb27395637 [0,1,0,1,0,0|1,0,1]=4 9240 B14R2.334 CC1(C)CCC1Nc2ccccc2 Amb28324803 [0,1,0,1,0,0|2,0,0]=4 9241 B14R2.402 CC1(C)CC1CNc2ccccc2 Amb27415632 [0,1,0,1,0,0|2,0,0]=4 9242 B14R2.402 ClC1(Cl)CC1CSc2ccccc2 Amb3483712 [0,1,0,1,0,0|2,0,0]=4 9243 B14R2.402 FC1(F)CC1CNc2ccccc2 Amb35640453 [0,1,0,1,0,0|2,0,0]=4 9244 B14R2.402 FC1(F)CC1COc2ccccc2 Amb35658417 [0,1,0,1,0,0|2,0,0]=4 9245 B14R2.764 CC(O)C1CC1Oc2ccccc2 Amb28428029 [0,1,0,1,0,0|1,0,0]=3 9246 B14R2.764 CC(O)C1CC1Sc2ccccc2 Amb27752998 [0,1,0,1,0,0|1,0,0]=3 9247 B14R2.764 CC(O)C1C\C1=C/c2ccccc2 Amb28350149 [0,1,0,1,0,0|0,0,2]=4 9248 B14R2.764 O=C(O)C1CC1Cc2ccccc2 Amb18990227 [0,1,0,1,0,0|0,0,1]=3 9249 B14R2.764 O=C(O)C1CC1Oc2ccccc2 Amb27955312 [0,1,0,1,0,0|1,0,1]=4 9250 B14R2.764 O=C(O)C1CC1Sc2ccccc2 Amb28251062 [0,1,0,1,0,0|1,0,1]=4 9251 B14R2.764 O=C(O)C1CN1Cc2ccccc2 Amb9782119 [0,1,0,1,0,0|1,0,1]=4 9252 B14R2.764 O=C(O)C1OC1Cc2ccccc2 Amb28136429 [0,1,0,1,0,0|1,0,1]=4 9253 B14R2.764 O=C(O)[C@@H]1C[C@H]1Cc2ccccc2 Amb25179092 [0,1,0,1,0,0|0,0,1]=3 9254 B14R2.764 O=C(O)[C@@H]1C[C@H]1Oc2ccccc2 Amb25173187 [0,1,0,1,0,0|1,0,1]=4 9255 B14R2.764 O=C(O)[C@H]1C[C@@H]1Cc2ccccc2 Amb27211567 [0,1,0,1,0,0|0,0,1]=3 9256 B14R2.764 O=C(O)[C@H]1C[C@H]1Cc2ccccc2 Amb27878637 [0,1,0,1,0,0|0,0,1]=3 9257 B14R2.764 OB(O)C1CC1Cc2ccccc2 Amb24329635 [0,1,0,1,0,0|1,0,0]=3 9258 B14R2.780 CC(=O)[C@H]1CC[C@@H]1c2ccccc2 Amb27427949 [0,1,0,1,0,0|0,0,2]=4 9259 B14R2.780 CC(O)[C@H]1CO[C@@H]1c2ccccc2 Amb27184223 [0,1,0,1,0,0|1,0,0]=3 9260 B14R2.780 O=C(O)C1CCC1c2ccccc2 Amb28076679 [0,1,0,1,0,0|0,0,1]=3 9261 B14R2.780 O=C(O)C1NCC1c2ccccc2 Amb26376881 [0,1,0,1,0,0|1,0,1]=4 9262 B14R2.780 O=C(O)C1NCC1c2ccccc2 Amb33189157 [0,1,0,1,0,0|1,0,1]=4 9263 B14R2.780 O=C(O)[C@@H]1NC[C@H]1c2ccccc2 Amb24552426 [0,1,0,1,0,0|1,0,1]=4 9264 B14R2.780 O=C(O)[C@@H]1NC[C@H]1c2ccccc2 Amb31156681 [0,1,0,1,0,0|1,0,1]=4 9265 B14R2.790 CC(C)CC1OC1c2ccccc2 Amb27948025 [0,1,0,1,0,0|2,0,0]=4 9266 B14R2.790 NC(=O)C[C@@H]1C[C@H]1c2ccccc2 Amb27420759 [0,1,0,1,0,0|0,0,2]=4 9267 B14R2.790 O=C(O)CC1CC1c2ccccc2 Amb17233181 [0,1,0,1,0,0|0,0,1]=3 9268 B14R2.790 O=C(O)C[C@@H]1C[C@@H]1c2ccccc2 Amb28385583 [0,1,0,1,0,0|0,0,1]=3 9269 B14R2.790 O=C(O)C[C@@H]1C[C@H]1c2ccccc2 Amb24467878 [0,1,0,1,0,0|0,0,1]=3 9270 B14R2.5495 CC1(C)CCCNc2ccccc21 Amb26549156 [0,1,0,1,0,0|2,0,0]=4 9271 B14R2.5495 CC1(C)CNCCc2ccccc21 Amb24549304 [0,1,0,1,0,0|2,0,0]=4 9272 B14R2.5495 CC1(F)CCCNc2ccccc21 Amb28199075 [0,1,0,1,0,0|2,0,0]=4 9273 B14R2.5495 CC1(F)CCNCc2ccccc21 Amb27636112 [0,1,0,1,0,0|2,0,0]=4 9274 B14R2.5495 FC1(F)CCCNc2ccccc21 Amb27443143 [0,1,0,1,0,0|2,0,0]=4 9275 B14R2.5495 FC1(F)CCNCc2ccccc21 Amb27964302 [0,1,0,1,0,0|2,0,0]=4 9276 B14R2.31137 CC(C)NCC1Cc2ccccc21 Amb18968592 [0,1,0,1,0,0|2,0,0]=4 9277 B14R2.31359 CC(=O)C1CCCc2ccccc21 Amb18183860 [0,1,0,1,0,0|0,0,2]=4 9278 B14R2.31359 CC(C)C1CCNc2ccccc21 Amb18197096 [0,1,0,1,0,0|2,0,0]=4 9279 B14R2.31359 CC(C)C1CNCc2ccccc21 Amb17400518 [0,1,0,1,0,0|2,0,0]=4 9280 B14R2.31359 CC(C)C1NCCc2ccccc21 Amb5735600 [0,1,0,1,0,0|2,0,0]=4 9281 B14R2.31359 CC(C)N1CCCc2ccccc21 Amb27187414 [0,1,0,1,0,0|2,0,0]=4 9282 B14R2.31359 CC(C)[C@H]1NCCc2ccccc21 Amb27223894 [0,1,0,1,0,0|2,0,0]=4 9283 B14R2.31359 CC(Cl)C1NCCc2ccccc21 Amb27969039 [0,1,0,1,0,0|2,0,0]=4 9284 B14R2.31359 CC(N)C1CCCc2ccccc21 Amb27985502 [0,1,0,1,0,0|1,0,0]=3 9285 B14R2.31359 CC(N)C1CCCc2ccccc21 Amb32666122 [0,1,0,1,0,0|1,0,0]=3 9286 B14R2.31359 CC(N)C1CCOc2ccccc21 Amb25691748 [0,1,0,1,0,0|2,0,0]=4 9287 B14R2.31359 CC(N)C1OCCc2ccccc21 Amb18127999 [0,1,0,1,0,0|2,0,0]=4 9288 B14R2.31359 CC(N)[C@H]1CCCc2ccccc21 Amb27649238 [0,1,0,1,0,0|1,0,0]=3 9289 B14R2.31359 CC(O)C1CCCc2ccccc21 Amb27408133 [0,1,0,1,0,0|0,0,0]=2 9290 B14R2.31359 CC(O)C1CCNc2ccccc21 Amb35624668 [0,1,0,1,0,0|1,0,0]=3 9291 B14R2.31359 CC(O)C1CNCc2ccccc21 Amb35581977 [0,1,0,1,0,0|1,0,0]=3 9292 B14R2.31359 CS(=O)C1CCCc2ccccc21 Amb27771144 [0,1,0,1,0,0|1,0,1]=4 9293 B14R2.31359 C[C@@H](N)C1CCCc2ccccc21 Amb28069964 [0,1,0,1,0,0|1,0,0]=3 9294 B14R2.31359 C[C@@H](N)C1CCOc2ccccc21 Amb25674634 [0,1,0,1,0,0|2,0,0]=4 9295 B14R2.31359 C[C@@H](N)C1OCCc2ccccc21 Amb33736458 [0,1,0,1,0,0|2,0,0]=4 9296 B14R2.31359 C[C@@H](O)C1CCCc2ccccc21 Amb25933581 [0,1,0,1,0,0|0,0,0]=2 9297 B14R2.31359 C[C@@H](O)C1CCOc2ccccc21 Amb27397358 [0,1,0,1,0,0|1,0,0]=3 9298 B14R2.31359 C[C@H](N)C1CCCc2ccccc21 Amb27978272 [0,1,0,1,0,0|1,0,0]=3 9299 B14R2.31359 C[C@H](N)C1CCCc2ccccc21 Amb33140990 [0,1,0,1,0,0|1,0,0]=3 9300 B14R2.31359 C[C@H](N)C1CCOc2ccccc21 Amb26354263 [0,1,0,1,0,0|2,0,0]=4 9301 B14R2.31359 C[C@H](N)C1OCCc2ccccc21 Amb33736457 [0,1,0,1,0,0|2,0,0]=4 9302 B14R2.31359 C[C@H](O)C1CCCc2ccccc21 Amb25066923 [0,1,0,1,0,0|0,0,0]=2 9303 B14R2.31359 C[C@H](O)C1CCOc2ccccc21 Amb28204530 [0,1,0,1,0,0|1,0,0]=3 9304 B14R2.31359 ClC(Cl)C1OCCc2ccccc21 Amb33457620 [0,1,0,1,0,0|2,0,0]=4 9305 B14R2.31359 N=C(N)C1CCCc2ccccc21 Amb20667628 [0,1,0,1,0,0|1,0,1]=4 9306 B14R2.31359 N=C(N)C1CCCc2ccccc21 Amb22059226 [0,1,0,1,0,0|1,0,1]=4 9307 B14R2.31359 NC(=S)C1CCCc2ccccc21 Amb6893241 [0,1,0,1,0,0|0,1,1]=4 9308 B14R2.31359 O=C(Cl)[C@H]1CCCc2ccccc21 Amb27438024 [0,1,0,1,0,0|0,0,2]=4 9309 B14R2.31359 O=C(O)C1CCCc2ccccc21 Amb6371221 [0,1,0,1,0,0|0,0,1]=3 9310 B14R2.31359 O=C(O)C1CCCc2cccnc21 Amb25943745 [0,1,0,1,0,0|1,0,1]=4 9311 B14R2.31359 O=C(O)C1CCCc2cccnc21 Amb28600352 [0,1,0,1,0,0|1,0,1]=4 9312 B14R2.31359 O=C(O)C1CCCc2ncccc21 Amb24443964 [0,1,0,1,0,0|1,0,1]=4 9313 B14R2.31359 O=C(O)C1CCCc2ncccc21 Amb33743295 [0,1,0,1,0,0|1,0,1]=4 9314 B14R2.31359 O=C(O)C1CCNc2ccccc21 Amb10603353 [0,1,0,1,0,0|1,0,1]=4 9315 B14R2.31359 O=C(O)C1CCNc2ccccc21 Amb21857054 [0,1,0,1,0,0|1,0,1]=4 9316 B14R2.31359 O=C(O)C1CCOc2ccccc21 Amb13952834 [0,1,0,1,0,0|1,0,1]=4 9317 B14R2.31359 O=C(O)C1CCSc2ccccc21 Amb18651956 [0,1,0,1,0,0|1,0,1]=4 9318 B14R2.31359 O=C(O)C1CNCc2ccccc21 Amb22751637 [0,1,0,1,0,0|1,0,1]=4 9319 B14R2.31359 O=C(O)C1CNCc2ccccc21 Amb2372591 [0,1,0,1,0,0|1,0,1]=4 9320 B14R2.31359 O=C(O)C1COCc2ccccc21 Amb27180431 [0,1,0,1,0,0|1,0,1]=4 9321 B14R2.31359 O=C(O)C1NCCc2ccccc21 Amb1034897 [0,1,0,1,0,0|1,0,1]=4 9322 B14R2.31359 O=C(O)C1NCCc2ccccc21 Amb22492442 [0,1,0,1,0,0|1,0,1]=4 9323 B14R2.31359 O=C(O)C1OCCc2ccccc21 Amb2372592 [0,1,0,1,0,0|1,0,1]=4 9324 B14R2.31359 O=C(O)C1SCCc2ccccc21 Amb19148991 [0,1,0,1,0,0|1,0,1]=4 9325 B14R2.31359 O=C(O)[C@@H]1CCCc2ccccc21 Amb8390357 [0,1,0,1,0,0|0,0,1]=3 9326 B14R2.31359 O=C(O)[C@@H]1NCCc2ccccc21 Amb2694771 [0,1,0,1,0,0|1,0,1]=4 9327 B14R2.31359 O=C(O)[C@H]1CCCc2ccccc21 Amb17672002 [0,1,0,1,0,0|0,0,1]=3 9328 B14R2.31359 O=C(O)[C@H]1NCCc2ccccc21 Amb2694993 [0,1,0,1,0,0|1,0,1]=4 9329 B14R2.31359 O=C(O)[C@H]1OCCc2ccccc21 Amb27179358 [0,1,0,1,0,0|1,0,1]=4 9330 B14R2.7 CCCC1CNc2c(Br)cccc21 Amb26315297 [0,1,0,1,0,0|2,0,0]=4 9331 B14R2.7 CCCC1CNc2c(C)cccc21 Amb25836520 [0,1,0,1,0,0|2,0,0]=4 9332 B14R2.7 CCCC1CNc2c(Cl)cccc21 Amb26918346 [0,1,0,1,0,0|2,0,0]=4 9333 B14R2.7 CCCC1CNc2c(F)cccc21 Amb25062730 [0,1,0,1,0,0|2,0,0]=4 9334 B14R2.7 CCCC1CNc2c(N)cccc21 Amb32658301 [0,1,0,1,0,0|2,0,0]=4 9335 B14R2.7 CCCC1NCc2c(F)cccc21 Amb27238967 [0,1,0,1,0,0|2,0,0]=4 9336 B14R2.7 CCCN1CCc2c(C)cccc21 Amb28400541 [0,1,0,1,0,0|2,0,0]=4 9337 B14R2.7 CCCN1CCc2c(F)cccc21 Amb27598305 [0,1,0,1,0,0|2,0,0]=4 9338 B14R2.7 CCNC1CCc2c(C)cccc21 Amb18954344 [0,1,0,1,0,0|2,0,0]=4 9339 B14R2.7 Cc1cccc2c1CCC2CCN Amb17233150 [0,1,0,1,0,0|1,0,0]=3 9340 B14R2.7 Cc1cccc2c1CCC2CCO Amb17233224 [0,1,0,1,0,0|0,0,0]=2 9341 B14R2.7 Cc1cccc2c1NCC2CCN Amb18063032 [0,1,0,1,0,0|2,0,0]=4 9342 B14R2.7 Cc1cccc2c1NCC2CCO Amb18561220 [0,1,0,1,0,0|1,0,0]=3 9343 B14R2.7 Cc1cccc2c1OCC2CCN Amb24397047 [0,1,0,1,0,0|2,0,0]=4 9344 B14R2.7 NCCC1CCc2c(Cl)cccc21 Amb17236343 [0,1,0,1,0,0|1,0,0]=3 9345 B14R2.7 NCCC1CCc2c(F)cccc21 Amb17233554 [0,1,0,1,0,0|1,0,0]=3 9346 B14R2.7 NCCC1CCc2c(O)cccc21 Amb27642750 [0,1,0,1,0,0|1,0,0]=3 9347 B14R2.7 NCCC1CNc2c(Br)cccc21 Amb18560692 [0,1,0,1,0,0|2,0,0]=4 9348 B14R2.7 NCCC1CNc2c(Cl)cccc21 Amb18063017 [0,1,0,1,0,0|2,0,0]=4 9349 B14R2.7 NCCC1CNc2c(F)cccc21 Amb18063036 [0,1,0,1,0,0|2,0,0]=4 9350 B14R2.7 NCCC1COc2c(Br)cccc21 Amb25699885 [0,1,0,1,0,0|2,0,0]=4 9351 B14R2.7 NCCC1COc2c(Cl)cccc21 Amb26876477 [0,1,0,1,0,0|2,0,0]=4 9352 B14R2.7 NCCC1COc2c(F)cccc21 Amb25762156 [0,1,0,1,0,0|2,0,0]=4 9353 B14R2.7 NCCC1CSc2c(F)cccc21 Amb27240183 [0,1,0,1,0,0|2,0,0]=4 9354 B14R2.7 NCCN1CCc2c(Br)cccc21 Amb33395599 [0,1,0,1,0,0|2,0,0]=4 9355 B14R2.7 NCCN1CCc2c(Br)cccc21 Amb33483068 [0,1,0,1,0,0|2,0,0]=4 9356 B14R2.7 NCCN1CCc2c(Cl)cccc21 Amb27396509 [0,1,0,1,0,0|2,0,0]=4 9357 B14R2.7 Nc1cccc2c1CCN2CCF Amb28289996 [0,1,0,1,0,0|2,0,0]=4 9358 B14R2.7 OCCC1CCc2c(Cl)cccc21 Amb17236515 [0,1,0,1,0,0|0,0,0]=2 9359 B14R2.7 OCCC1CCc2c(F)cccc21 Amb17233683 [0,1,0,1,0,0|0,0,0]=2 9360 B14R2.7 OCCC1CNc2c(Br)cccc21 Amb18063480 [0,1,0,1,0,0|1,0,0]=3 9361 B14R2.7 OCCC1CNc2c(Cl)cccc21 Amb18561224 [0,1,0,1,0,0|1,0,0]=3 9362 B14R2.7 OCCC1CNc2c(F)cccc21 Amb18561223 [0,1,0,1,0,0|1,0,0]=3 9363 B14R2.7 OCCN1CCc2c(F)cccc21 Amb27979937 [0,1,0,1,0,0|1,0,0]=3 9364 B14R2.7 OCCN1CCc2c(O)cccc21 Amb28253819 [0,1,0,1,0,0|1,0,0]=3 9365 B14R2.7 Oc1cccc2c1CCN2CCF Amb27388305 [0,1,0,1,0,0|2,0,0]=4 9366 B14R2.50 Brc1ccccc1CC2CCCN2 Amb18156960 [0,1,0,1,0,0|1,0,0]=3 9367 B14R2.50 Brc1ccccc1CC2CCCN2 Amb32663787 [0,1,0,1,0,0|1,0,0]=3 9368 B14R2.50 Brc1ccccc1CC2CCNC2 Amb18071550 [0,1,0,1,0,0|2,0,0]=4 9369 B14R2.50 Brc1ccccc1CN2CCCC2 Amb16187159 [0,1,0,1,0,0|2,0,0]=4 9370 B14R2.50 Brc1ccccc1NC2CCCC2 Amb6696366 [0,1,0,1,0,0|2,0,0]=4 9371 B14R2.50 Brc1ccccc1OC2CCCC2 Amb6280850 [0,1,0,1,0,0|2,0,0]=4 9372 B14R2.50 Brc1cccnc1CC2CCCN2 Amb28243008 [0,1,0,1,0,0|2,0,0]=4 9373 B14R2.50 Brc1cccnc1SC2CCCO2 Amb27979388 [0,1,0,1,0,0|2,0,0]=4 9374 B14R2.50 Brc1cnccc1CC2CCCN2 Amb33431046 [0,1,0,1,0,0|2,0,0]=4 9375 B14R2.50 Brc1ncccc1CC2CCCN2 Amb33387445 [0,1,0,1,0,0|2,0,0]=4 9376 B14R2.50 Cc1ccccc1CC2CCCN2 Amb9713268 [0,1,0,1,0,0|1,0,0]=3 9377 B14R2.50 Cc1ccccc1CC2CCNC2 Amb17470528 [0,1,0,1,0,0|2,0,0]=4 9378 B14R2.50 Cc1ccccc1CC2OCCO2 Amb6306192 [0,1,0,1,0,0|1,0,0]=3 9379 B14R2.50 Cc1ccccc1CN2CCCC2 Amb27974675 [0,1,0,1,0,0|2,0,0]=4 9380 B14R2.50 Cc1ccccc1CN2CCCN2 Amb27787264 [0,1,0,1,0,0|2,0,0]=4 9381 B14R2.50 Cc1ccccc1C[C@@H]2CCCN2 Amb33191267 [0,1,0,1,0,0|1,0,0]=3 9382 B14R2.50 Cc1ccccc1C[C@H]2CCCN2 Amb33191258 [0,1,0,1,0,0|1,0,0]=3 9383 B14R2.50 Cc1ccccc1NC2CCCC2 Amb2616481 [0,1,0,1,0,0|2,0,0]=4 9384 B14R2.50 Cc1cccnc1CC2CCCN2 Amb2235412 [0,1,0,1,0,0|2,0,0]=4 9385 B14R2.50 Cc1ccncc1CC2CCCN2 Amb27474542 [0,1,0,1,0,0|2,0,0]=4 9386 B14R2.50 Cc1cnccc1CC2CCCN2 Amb27660174 [0,1,0,1,0,0|2,0,0]=4 9387 B14R2.50 Cc1ncccc1CC2CCCN2 Amb32880137 [0,1,0,1,0,0|2,0,0]=4 9388 B14R2.50 Clc1ccccc1CC2CCCN2 Amb2235504 [0,1,0,1,0,0|1,0,0]=3 9389 B14R2.50 Clc1ccccc1CC2CCCN2 Amb9714261 [0,1,0,1,0,0|1,0,0]=3 9390 B14R2.50 Clc1ccccc1CC2CCNC2 Amb10068495 [0,1,0,1,0,0|2,0,0]=4 9391 B14R2.50 Clc1ccccc1CC2CCNC2 Amb17470926 [0,1,0,1,0,0|2,0,0]=4 9392 B14R2.50 Clc1ccccc1CC2CCNC2 Amb29746891 [0,1,0,1,0,0|2,0,0]=4 9393 B14R2.50 Clc1ccccc1CC2OCCO2 Amb3938930 [0,1,0,1,0,0|1,0,0]=3 9394 B14R2.50 Clc1ccccc1CN2CCCC2 Amb1801666 [0,1,0,1,0,0|2,0,0]=4 9395 B14R2.50 Clc1ccccc1CN2CCCN2 Amb27874427 [0,1,0,1,0,0|2,0,0]=4 9396 B14R2.50 Clc1ccccc1CN2CCCO2 Amb27255169 [0,1,0,1,0,0|1,0,0]=3 9397 B14R2.50 Clc1ccccc1NC2CCCC2 Amb6696845 [0,1,0,1,0,0|2,0,0]=4 9398 B14R2.50 Clc1cnccc1CC2CCCN2 Amb26905381 [0,1,0,1,0,0|2,0,0]=4 9399 B14R2.50 Clc1ncccc1CC2CCCN2 Amb33256938 [0,1,0,1,0,0|2,0,0]=4 9400 B14R2.50 Fc1ccccc1CC2=CCCC2 Amb27464822 [0,1,0,1,0,0|1,0,1]=4 9401 B14R2.50 Fc1ccccc1CC2CCCN2 Amb9711526 [0,1,0,1,0,0|1,0,0]=3 9402 B14R2.50 Fc1ccccc1CC2CCNC2 Amb17470599 [0,1,0,1,0,0|2,0,0]=4 9403 B14R2.50 Fc1ccccc1CC2CCNC2 Amb24090141 [0,1,0,1,0,0|2,0,0]=4 9404 B14R2.50 Fc1ccccc1CC2OCCO2 Amb6306185 [0,1,0,1,0,0|1,0,0]=3 9405 B14R2.50 Fc1ccccc1CN2CCCC2 Amb1773726 [0,1,0,1,0,0|2,0,0]=4 9406 B14R2.50 Fc1ccccc1CN2CCCN2 Amb27969471 [0,1,0,1,0,0|2,0,0]=4 9407 B14R2.50 Fc1ccccc1NC2CCCC2 Amb6697261 [0,1,0,1,0,0|2,0,0]=4 9408 B14R2.50 Fc1ccccc1OC2CCCC2 Amb24759667 [0,1,0,1,0,0|2,0,0]=4 9409 B14R2.50 Fc1ccccc1SC2CCCC2 Amb27765686 [0,1,0,1,0,0|2,0,0]=4 9410 B14R2.50 Fc1cccnc1CC2CCCN2 Amb33419588 [0,1,0,1,0,0|2,0,0]=4 9411 B14R2.50 Fc1cnccc1CC2CCCN2 Amb33317725 [0,1,0,1,0,0|2,0,0]=4 9412 B14R2.50 Fc1ncccc1CC2CCCN2 Amb33378327 [0,1,0,1,0,0|2,0,0]=4 9413 B14R2.50 Ic1ccccc1NC2CCCC2 Amb7785776 [0,1,0,1,0,0|2,0,0]=4 9414 B14R2.50 Nc1ccccc1CC2CCCN2 Amb18064662 [0,1,0,1,0,0|1,0,0]=3 9415 B14R2.50 Nc1ccccc1CC2CCCO2 Amb18195956 [0,1,0,1,0,0|0,0,0]=2 9416 B14R2.50 Nc1ccccc1CN2CCCC2 Amb538746 [0,1,0,1,0,0|2,0,0]=4 9417 B14R2.50 Nc1ccccc1NC2CCCC2 Amb9205229 [0,1,0,1,0,0|2,0,0]=4 9418 B14R2.50 Nc1ccccc1OC2CCCC2 Amb10201549 [0,1,0,1,0,0|2,0,0]=4 9419 B14R2.50 Nc1ccccc1OC2CCCC2 Amb1141395 [0,1,0,1,0,0|2,0,0]=4 9420 B14R2.50 Nc1ccccc1SC2CCCC2 Amb6269309 [0,1,0,1,0,0|2,0,0]=4 9421 B14R2.50 Nc1ccncc1CC2CCCC2 Amb27603814 [0,1,0,1,0,0|2,0,0]=4 9422 B14R2.50 O=C1C=CC=CN1CC2CCCO2 Amb28347410 [0,1,0,1,0,0|1,0,0]=3 9423 B14R2.50 O=C1C=CC=CN1C[C@@H]2CCCN2 Amb28317105 [0,1,0,1,0,0|2,0,0]=4 9424 B14R2.50 O=C1C=NC=CN1CC2CCCO2 Amb27179713 [0,1,0,1,0,0|2,0,0]=4 9425 B14R2.50 Oc1ccccc1CC2CCCN2 Amb18062875 [0,1,0,1,0,0|1,0,0]=3 9426 B14R2.50 Oc1ccccc1CC2CCNC2 Amb27623155 [0,1,0,1,0,0|2,0,0]=4 9427 B14R2.50 Oc1ccccc1CN2CCCC2 Amb1829435 [0,1,0,1,0,0|2,0,0]=4 9428 B14R2.50 Oc1ccccc1OC2CCCC2 Amb9210974 [0,1,0,1,0,0|2,0,0]=4 9429 B14R2.50 Oc1ccccc1SC2CCCC2 Amb18317880 [0,1,0,1,0,0|2,0,0]=4 9430 B14R2.50 Sc1ccccc1CN2CCCC2 Amb19649793 [0,1,0,1,0,0|2,0,0]=4 9431 B14R2.143 CCC1CNCc2ccccc2O1 Amb27608673 [0,1,0,1,0,0|2,0,0]=4 9432 B14R2.143 CC[C@H]1Cc2ccccc2CCN1 Amb28141852 [0,1,0,1,0,0|2,0,0]=4 9433 B14R2.143 FCC1Cc2ccccc2CCN1 Amb27876941 [0,1,0,1,0,0|2,0,0]=4 9434 B14R2.143 NCC1CCCc2ccccc2C1 Amb28072588 [0,1,0,1,0,0|1,0,0]=3 9435 B14R2.143 NCC1CCCc2ccccc2C1 Amb35747986 [0,1,0,1,0,0|1,0,0]=3 9436 B14R2.143 NCC1CCCc2ccccc2N1 Amb25731976 [0,1,0,1,0,0|1,0,0]=3 9437 B14R2.143 NCC1CCNc2ccccc2C1 Amb18196482 [0,1,0,1,0,0|2,0,0]=4 9438 B14R2.143 NCC1CCNc2ccccc2N1 Amb27782211 [0,1,0,1,0,0|2,0,0]=4 9439 B14R2.143 NCC1CCOc2ccccc2C1 Amb18195873 [0,1,0,1,0,0|2,0,0]=4 9440 B14R2.143 NCC1CCSc2ccccc2C1 Amb18190079 [0,1,0,1,0,0|2,0,0]=4 9441 B14R2.143 OCC1CC=Cc2ccccc2C1 Amb27456749 [0,1,0,1,0,0|0,0,2]=4 9442 B14R2.143 OCC1CCCc2ccccc2N1 Amb28135010 [0,1,0,1,0,0|0,0,0]=2 9443 B14R2.143 OCC1CNCc2ccccc2N1 Amb28436510 [0,1,0,1,0,0|1,0,0]=3 9444 B14R2.143 O\N=C1/CCCc2ccccc2N1 Amb2637714 [0,1,0,1,0,0|1,0,1]=4 9445 B14R2.294 CC1CC1CNc2ccccc2N Amb27592034 [0,1,0,1,0,0|2,0,0]=4 9446 B14R2.294 CC1CC1COc2ccccc2N Amb23556410 [0,1,0,1,0,0|2,0,0]=4 9447 B14R2.294 CC1CC1NCc2ccccc2I Amb28078586 [0,1,0,1,0,0|2,0,0]=4 9448 B14R2.294 Cc1ccccc1CNC2CC2C Amb18298207 [0,1,0,1,0,0|2,0,0]=4 9449 B14R2.294 Cc1ccccc1CN[C@@H]2C[C@H]2C Amb27775731 [0,1,0,1,0,0|2,0,0]=4 9450 B14R2.294 Cc1ccccc1OCC2CC2N Amb25707608 [0,1,0,1,0,0|2,0,0]=4 9451 B14R2.294 NC1CC1COc2ccccc2Br Amb25042841 [0,1,0,1,0,0|2,0,0]=4 9452 B14R2.294 NC1CC1COc2ccccc2Cl Amb26058383 [0,1,0,1,0,0|2,0,0]=4 9453 B14R2.294 NC1CC1COc2ccccc2F Amb25727629 [0,1,0,1,0,0|2,0,0]=4 9454 B14R2.296 CC1CCCN1c2ccccc2N Amb18278399 [0,1,0,1,0,0|2,0,0]=4 9455 B14R2.296 CC1CCCN1c2ccccc2O Amb28074632 [0,1,0,1,0,0|2,0,0]=4 9456 B14R2.296 CC1CCNC1c2ccccc2F Amb3788284 [0,1,0,1,0,0|2,0,0]=4 9457 B14R2.296 CC1CNCC1c2ccccc2Br Amb26866817 [0,1,0,1,0,0|2,0,0]=4 9458 B14R2.296 CC1CNCC1c2ccccc2Cl Amb27786751 [0,1,0,1,0,0|2,0,0]=4 9459 B14R2.296 CC1CNCC1c2ccccc2F Amb25840956 [0,1,0,1,0,0|2,0,0]=4 9460 B14R2.296 CC1NCCC1c2ccccc2Br Amb18730965 [0,1,0,1,0,0|2,0,0]=4 9461 B14R2.296 CN1CCCC1c2ccccc2Br Amb18064927 [0,1,0,1,0,0|2,0,0]=4 9462 B14R2.296 CN1CCCC1c2ccccc2Cl Amb27458507 [0,1,0,1,0,0|2,0,0]=4 9463 B14R2.296 CN1CCCC1c2ccccc2N Amb18562887 [0,1,0,1,0,0|2,0,0]=4 9464 B14R2.296 C[C@@H]1CCN[C@H]1c2ccccc2Br Amb18156536 [0,1,0,1,0,0|2,0,0]=4 9465 B14R2.296 C[C@@H]1CCN[C@H]1c2ccccc2Cl Amb18189118 [0,1,0,1,0,0|2,0,0]=4 9466 B14R2.296 C[C@@H]1CCN[C@H]1c2ccccc2F Amb18194451 [0,1,0,1,0,0|2,0,0]=4 9467 B14R2.296 C[C@@H]1CCN[C@H]1c2ccccc2O Amb18195878 [0,1,0,1,0,0|2,0,0]=4 9468 B14R2.296 C[C@@H]1CNC[C@H]1c2ccccc2Br Amb18156602 [0,1,0,1,0,0|2,0,0]=4 9469 B14R2.296 C[C@@H]1CNC[C@H]1c2ccccc2F Amb27967255 [0,1,0,1,0,0|2,0,0]=4 9470 B14R2.296 C[C@H]1CCN[C@@H]1c2ccccc2Br Amb27798470 [0,1,0,1,0,0|2,0,0]=4 9471 B14R2.296 C[C@H]1CCN[C@@H]1c2ccccc2F Amb27459670 [0,1,0,1,0,0|2,0,0]=4 9472 B14R2.296 C[C@H]1CCN[C@@H]1c2ccccc2O Amb27814552 [0,1,0,1,0,0|2,0,0]=4 9473 B14R2.296 Cc1ccccc1C2C=CCC2O Amb27661071 [0,1,0,1,0,0|0,0,2]=4 9474 B14R2.296 Cc1ccccc1C2CCCC2O Amb18804577 [0,1,0,1,0,0|0,0,0]=2 9475 B14R2.296 Cc1ccccc1C2CCCN2C Amb27762119 [0,1,0,1,0,0|2,0,0]=4 9476 B14R2.296 Cc1ccccc1C2CCCN2N Amb22288940 [0,1,0,1,0,0|2,0,0]=4 9477 B14R2.296 Cc1ccccc1C2CNCC2C Amb26027825 [0,1,0,1,0,0|2,0,0]=4 9478 B14R2.296 Cc1ccccc1C2CNCC2N Amb26983218 [0,1,0,1,0,0|2,0,0]=4 9479 B14R2.296 Cc1ccccc1C2CNCC2O Amb33213613 [0,1,0,1,0,0|1,0,0]=3 9480 B14R2.296 Cc1ccccc1C2COCC2Br Amb29877888 [0,1,0,1,0,0|2,0,0]=4 9481 B14R2.296 Cc1ccccc1C2COCC2Cl Amb29877755 [0,1,0,1,0,0|2,0,0]=4 9482 B14R2.296 Cc1ccccc1C2COCC2N Amb27876947 [0,1,0,1,0,0|2,0,0]=4 9483 B14R2.296 Cc1ccccc1C2COCC2O Amb33213072 [0,1,0,1,0,0|1,0,0]=3 9484 B14R2.296 Cc1ccccc1C2CSCC2N Amb27964194 [0,1,0,1,0,0|2,0,0]=4 9485 B14R2.296 Cc1ccccc1C2NCCC2O Amb18824964 [0,1,0,1,0,0|1,0,0]=3 9486 B14R2.296 Cc1ccccc1[C@@H]2CCCC2=O Amb28202285 [0,1,0,1,0,0|0,0,2]=4 9487 B14R2.296 Cc1ccccc1[C@@H]2CCC[C@H]2N Amb27807445 [0,1,0,1,0,0|1,0,0]=3 9488 B14R2.296 Cc1ccccc1[C@@H]2CCC[C@H]2O Amb32945395 [0,1,0,1,0,0|0,0,0]=2 9489 B14R2.296 Cc1ccccc1[C@@H]2CNC[C@H]2O Amb32945954 [0,1,0,1,0,0|1,0,0]=3 9490 B14R2.296 Cc1ccccc1[C@@H]2COC[C@H]2O Amb32950808 [0,1,0,1,0,0|1,0,0]=3 9491 B14R2.296 Cc1ccccc1[C@@H]2NCC[C@H]2C Amb18197089 [0,1,0,1,0,0|2,0,0]=4 9492 B14R2.296 Cc1ccccc1[C@H]2NCC[C@@H]2C Amb27798483 [0,1,0,1,0,0|2,0,0]=4 9493 B14R2.296 Cc1ccncc1C2CCCC2O Amb27439514 [0,1,0,1,0,0|1,0,0]=3 9494 B14R2.296 Cc1ccncc1C2CNCC2O Amb32950053 [0,1,0,1,0,0|2,0,0]=4 9495 B14R2.296 Cc1ccncc1C2COCC2O Amb32945417 [0,1,0,1,0,0|2,0,0]=4 9496 B14R2.296 Cc1ccncc1[C@@H]2CCC[C@H]2O Amb32950336 [0,1,0,1,0,0|1,0,0]=3 9497 B14R2.296 Cc1ccncc1[C@@H]2CNC[C@H]2O Amb32944981 [0,1,0,1,0,0|2,0,0]=4 9498 B14R2.296 Cc1ccncc1[C@@H]2COC[C@H]2O Amb32950547 [0,1,0,1,0,0|2,0,0]=4 9499 B14R2.296 Cc1ncccc1C2CCCC2O Amb33213742 [0,1,0,1,0,0|1,0,0]=3 9500 B14R2.296 Cc1ncccc1C2CNCC2O Amb32944461 [0,1,0,1,0,0|2,0,0]=4 9501 B14R2.296 Cc1ncccc1C2COCC2O Amb32945308 [0,1,0,1,0,0|2,0,0]=4 9502 B14R2.296 Cc1ncccc1[C@@H]2CCC[C@H]2O Amb32944829 [0,1,0,1,0,0|1,0,0]=3 9503 B14R2.296 Cc1ncccc1[C@@H]2CNC[C@H]2O Amb33213105 [0,1,0,1,0,0|2,0,0]=4 9504 B14R2.296 Cc1ncccc1[C@@H]2COC[C@H]2O Amb32945684 [0,1,0,1,0,0|2,0,0]=4 9505 B14R2.296 Clc1ccccc1C2COCC2Br Amb35590016 [0,1,0,1,0,0|2,0,0]=4 9506 B14R2.296 Clc1ccccc1C2COCC2Cl Amb35589930 [0,1,0,1,0,0|2,0,0]=4 9507 B14R2.296 FC1CCNC1c2ccccc2Br Amb28053143 [0,1,0,1,0,0|2,0,0]=4 9508 B14R2.296 FC1CCNC1c2ccccc2Cl Amb27429141 [0,1,0,1,0,0|2,0,0]=4 9509 B14R2.296 Fc1ccccc1C2CCCC2Br Amb27751480 [0,1,0,1,0,0|1,0,0]=3 9510 B14R2.296 Fc1ccccc1C2CNCC2F Amb28045369 [0,1,0,1,0,0|2,0,0]=4 9511 B14R2.296 Fc1ccccc1C2COCC2Br Amb29877897 [0,1,0,1,0,0|2,0,0]=4 9512 B14R2.296 Fc1ccccc1C2COCC2Cl Amb29877839 [0,1,0,1,0,0|2,0,0]=4 9513 B14R2.296 Fc1ccccc1C2NCCC2F Amb28348759 [0,1,0,1,0,0|2,0,0]=4 9514 B14R2.296 Fc1cnccc1C2CCCC2Br Amb27668375 [0,1,0,1,0,0|2,0,0]=4 9515 B14R2.296 NC1CCCC1c2ccccc2Cl Amb17506317 [0,1,0,1,0,0|1,0,0]=3 9516 B14R2.296 NC1CCCC1c2ccccc2I Amb27950963 [0,1,0,1,0,0|1,0,0]=3 9517 B14R2.296 NC1CCCC1c2ccccc2O Amb28239391 [0,1,0,1,0,0|1,0,0]=3 9518 B14R2.296 NC1CCCC1c2cccnc2Br Amb27406078 [0,1,0,1,0,0|2,0,0]=4 9519 B14R2.296 NC1CCCC1c2cccnc2Cl Amb27464061 [0,1,0,1,0,0|2,0,0]=4 9520 B14R2.296 NC1CCCC1c2cccnc2O Amb27807410 [0,1,0,1,0,0|2,0,0]=4 9521 B14R2.296 NC1CCCC1c2cnccc2Br Amb27951811 [0,1,0,1,0,0|2,0,0]=4 9522 B14R2.296 NC1CCCC1c2cnccc2Cl Amb27237105 [0,1,0,1,0,0|2,0,0]=4 9523 B14R2.296 NC1CCCC1c2ncccc2Br Amb27406020 [0,1,0,1,0,0|2,0,0]=4 9524 B14R2.296 NC1CCNC1c2ccccc2Br Amb27442195 [0,1,0,1,0,0|2,0,0]=4 9525 B14R2.296 NC1CCNC1c2ccccc2Cl Amb27609107 [0,1,0,1,0,0|2,0,0]=4 9526 B14R2.296 NC1CCNC1c2ccccc2O Amb27198460 [0,1,0,1,0,0|2,0,0]=4 9527 B14R2.296 NC1CCOC1c2ccccc2Br Amb28368931 [0,1,0,1,0,0|2,0,0]=4 9528 B14R2.296 NC1CCOC1c2ccccc2Cl Amb28428040 [0,1,0,1,0,0|2,0,0]=4 9529 B14R2.296 NC1CNCC1c2ccccc2F Amb24547876 [0,1,0,1,0,0|2,0,0]=4 9530 B14R2.296 NC1CNCC1c2ccccc2I Amb28056109 [0,1,0,1,0,0|2,0,0]=4 9531 B14R2.296 NC1COCC1c2ccccc2Br Amb28368818 [0,1,0,1,0,0|2,0,0]=4 9532 B14R2.296 NC1COCC1c2ccccc2O Amb27199412 [0,1,0,1,0,0|2,0,0]=4 9533 B14R2.296 NC1CSCC1c2ccccc2Br Amb27240195 [0,1,0,1,0,0|2,0,0]=4 9534 B14R2.296 NN1CCCC1c2ccccc2Br Amb25045570 [0,1,0,1,0,0|2,0,0]=4 9535 B14R2.296 NN1CCCC1c2ccccc2Cl Amb22275426 [0,1,0,1,0,0|2,0,0]=4 9536 B14R2.296 NN1CCCC1c2ccccc2F Amb26358510 [0,1,0,1,0,0|2,0,0]=4 9537 B14R2.296 N[C@@H]1CCC[C@@H]1c2ccccc2Br Amb27206476 [0,1,0,1,0,0|1,0,0]=3 9538 B14R2.296 N[C@@H]1CCC[C@@H]1c2ccccc2F Amb28344706 [0,1,0,1,0,0|1,0,0]=3 9539 B14R2.296 N[C@@H]1CCC[C@H]1c2ccccc2O Amb27494858 [0,1,0,1,0,0|1,0,0]=3 9540 B14R2.296 N[C@H]1CCC[C@@H]1c2ccccc2Br Amb27653585 [0,1,0,1,0,0|1,0,0]=3 9541 B14R2.296 N[C@H]1CCC[C@@H]1c2ccccc2F Amb27628679 [0,1,0,1,0,0|1,0,0]=3 9542 B14R2.296 N[C@H]1CCC[C@@H]1c2ccccc2I Amb27223136 [0,1,0,1,0,0|1,0,0]=3 9543 B14R2.296 N[C@H]1CCC[C@H]1c2ccccc2Cl Amb27661111 [0,1,0,1,0,0|1,0,0]=3 9544 B14R2.296 N[C@H]1CCC[C@H]1c2ccccc2F Amb27970523 [0,1,0,1,0,0|1,0,0]=3 9545 B14R2.296 Nc1ccccc1C2CCCC2=O Amb24494851 [0,1,0,1,0,0|0,0,2]=4 9546 B14R2.296 Nc1ccccc1C2CCCC2N Amb27247417 [0,1,0,1,0,0|1,0,0]=3 9547 B14R2.296 Nc1ccccc1C2NCCC2O Amb32657976 [0,1,0,1,0,0|1,0,0]=3 9548 B14R2.296 Nc1ccccc1[C@@H]2CCC[C@@H]2N Amb27207688 [0,1,0,1,0,0|1,0,0]=3 9549 B14R2.296 Nc1ccccc1[C@H]2CCC[C@@H]2N Amb28138559 [0,1,0,1,0,0|1,0,0]=3 9550 B14R2.296 Nc1ccncc1C2CCCC2O Amb33213665 [0,1,0,1,0,0|1,0,0]=3 9551 B14R2.296 Nc1ccncc1C2CNCC2O Amb33213717 [0,1,0,1,0,0|2,0,0]=4 9552 B14R2.296 Nc1ccncc1C2COCC2O Amb33213942 [0,1,0,1,0,0|2,0,0]=4 9553 B14R2.296 Nc1ccncc1[C@@H]2CCC[C@H]2O Amb33213830 [0,1,0,1,0,0|1,0,0]=3 9554 B14R2.296 Nc1ccncc1[C@@H]2CNC[C@H]2O Amb33213868 [0,1,0,1,0,0|2,0,0]=4 9555 B14R2.296 Nc1ccncc1[C@@H]2COC[C@H]2O Amb32944817 [0,1,0,1,0,0|2,0,0]=4 9556 B14R2.296 Nc1ncccc1C2CCCC2O Amb32950450 [0,1,0,1,0,0|1,0,0]=3 9557 B14R2.296 Nc1ncccc1C2CNCC2O Amb32950093 [0,1,0,1,0,0|2,0,0]=4 9558 B14R2.296 Nc1ncccc1C2COCC2O Amb33213093 [0,1,0,1,0,0|2,0,0]=4 9559 B14R2.296 Nc1ncccc1[C@@H]2CCC[C@H]2O Amb33213908 [0,1,0,1,0,0|1,0,0]=3 9560 B14R2.296 Nc1ncccc1[C@@H]2CNC[C@H]2O Amb32950481 [0,1,0,1,0,0|2,0,0]=4 9561 B14R2.296 Nc1ncccc1[C@@H]2COC[C@H]2O Amb32950309 [0,1,0,1,0,0|2,0,0]=4 9562 B14R2.296 O=C1CCCC1c2ccccc2Br Amb28124861 [0,1,0,1,0,0|0,0,2]=4 9563 B14R2.296 O=C1CCCC1c2ccccc2Cl Amb18324829 [0,1,0,1,0,0|0,0,2]=4 9564 B14R2.296 O=C1CCCC1c2ccccc2F Amb18804738 [0,1,0,1,0,0|0,0,2]=4 9565 B14R2.296 O=S1CCC[C@@H]1c2ccccc2O Amb27486125 [0,1,0,1,0,0|1,0,1]=4 9566 B14R2.296 OC1CC=CC1c2ccccc2F Amb27415167 [0,1,0,1,0,0|0,0,2]=4 9567 B14R2.296 OC1CCCC1c2ccccc2Cl Amb18325167 [0,1,0,1,0,0|0,0,0]=2 9568 B14R2.296 OC1CCCC1c2ccccc2F Amb18805023 [0,1,0,1,0,0|0,0,0]=2 9569 B14R2.296 OC1CCCC1c2cccnc2Br Amb32945365 [0,1,0,1,0,0|1,0,0]=3 9570 B14R2.296 OC1CCCC1c2ccncc2F Amb26417929 [0,1,0,1,0,0|1,0,0]=3 9571 B14R2.296 OC1CCNC1c2ccccc2Br Amb18156064 [0,1,0,1,0,0|1,0,0]=3 9572 B14R2.296 OC1CCNC1c2ccccc2Cl Amb18812027 [0,1,0,1,0,0|1,0,0]=3 9573 B14R2.296 OC1CCNC1c2ccccc2F Amb18824219 [0,1,0,1,0,0|1,0,0]=3 9574 B14R2.296 OC1CNCC1c2ccccc2Cl Amb33213426 [0,1,0,1,0,0|1,0,0]=3 9575 B14R2.296 OC1CNCC1c2ccccc2F Amb32950066 [0,1,0,1,0,0|1,0,0]=3 9576 B14R2.296 OC1CNCC1c2cccnc2Br Amb32944329 [0,1,0,1,0,0|2,0,0]=4 9577 B14R2.296 OC1CNCC1c2ccncc2F Amb32944479 [0,1,0,1,0,0|2,0,0]=4 9578 B14R2.296 OC1COCC1c2ccccc2Cl Amb32945588 [0,1,0,1,0,0|1,0,0]=3 9579 B14R2.296 OC1COCC1c2ccccc2F Amb32945300 [0,1,0,1,0,0|1,0,0]=3 9580 B14R2.296 OC1COCC1c2cccnc2Br Amb32950620 [0,1,0,1,0,0|2,0,0]=4 9581 B14R2.296 OC1COCC1c2ccncc2F Amb32950415 [0,1,0,1,0,0|2,0,0]=4 9582 B14R2.296 O[C@@H]1CC=C[C@H]1c2ccccc2F Amb28053766 [0,1,0,1,0,0|0,0,2]=4 9583 B14R2.296 O[C@@H]1CCC[C@H]1c2ccccc2Cl Amb33213520 [0,1,0,1,0,0|0,0,0]=2 9584 B14R2.296 O[C@@H]1CCC[C@H]1c2ccccc2F Amb33213122 [0,1,0,1,0,0|0,0,0]=2 9585 B14R2.296 O[C@@H]1CCC[C@H]1c2cccnc2Br Amb32950429 [0,1,0,1,0,0|1,0,0]=3 9586 B14R2.296 O[C@@H]1CCC[C@H]1c2ccncc2F Amb33213951 [0,1,0,1,0,0|1,0,0]=3 9587 B14R2.296 O[C@@H]1CNC[C@H]1c2ccccc2Cl Amb32950991 [0,1,0,1,0,0|1,0,0]=3 9588 B14R2.296 O[C@@H]1CNC[C@H]1c2ccccc2F Amb32950055 [0,1,0,1,0,0|1,0,0]=3 9589 B14R2.296 O[C@@H]1CNC[C@H]1c2cccnc2Br Amb32944433 [0,1,0,1,0,0|2,0,0]=4 9590 B14R2.296 O[C@@H]1CNC[C@H]1c2ccncc2F Amb32950571 [0,1,0,1,0,0|2,0,0]=4 9591 B14R2.296 O[C@@H]1COC[C@H]1c2ccccc2Cl Amb32950817 [0,1,0,1,0,0|1,0,0]=3 9592 B14R2.296 O[C@@H]1COC[C@H]1c2ccccc2F Amb32950847 [0,1,0,1,0,0|1,0,0]=3 9593 B14R2.296 O[C@@H]1COC[C@H]1c2cccnc2Br Amb32944651 [0,1,0,1,0,0|2,0,0]=4 9594 B14R2.296 O[C@@H]1COC[C@H]1c2ccncc2F Amb33213445 [0,1,0,1,0,0|2,0,0]=4 9595 B14R2.296 Oc1ccccc1C2CCCC2F Amb27163263 [0,1,0,1,0,0|1,0,0]=3 9596 B14R2.296 Oc1ccccc1C2CCCC2O Amb18128181 [0,1,0,1,0,0|0,0,0]=2 9597 B14R2.296 Oc1ccccc1C2CNCC2O Amb32945210 [0,1,0,1,0,0|1,0,0]=3 9598 B14R2.296 Oc1ccccc1C2COCC2O Amb32944272 [0,1,0,1,0,0|1,0,0]=3 9599 B14R2.296 Oc1ccccc1C2NCCC2O Amb18194676 [0,1,0,1,0,0|1,0,0]=3 9600 B14R2.296 Oc1ccccc1[C@@H]2CCC[C@H]2O Amb32950565 [0,1,0,1,0,0|0,0,0]=2 9601 B14R2.296 Oc1ccccc1[C@@H]2CNC[C@H]2O Amb32944783 [0,1,0,1,0,0|1,0,0]=3 9602 B14R2.296 Oc1ccccc1[C@@H]2COC[C@H]2O Amb33213202 [0,1,0,1,0,0|1,0,0]=3 9603 B14R2.479 CNCC1CC1c2ccccc2Br Amb17568201 [0,1,0,1,0,0|2,0,0]=4 9604 B14R2.479 CNCC1CC1c2ccccc2C Amb17568143 [0,1,0,1,0,0|2,0,0]=4 9605 B14R2.479 CNCC1CC1c2ccccc2Cl Amb17568151 [0,1,0,1,0,0|2,0,0]=4 9606 B14R2.479 CNCC1CC1c2ccccc2F Amb17568149 [0,1,0,1,0,0|2,0,0]=4 9607 B14R2.479 Cc1ccccc1C2CC2CCN Amb27796725 [0,1,0,1,0,0|1,0,0]=3 9608 B14R2.479 Cc1ccccc1C2CC2CCO Amb27604515 [0,1,0,1,0,0|0,0,0]=2 9609 B14R2.479 NCCC1CC1c2ccccc2Br Amb27209314 [0,1,0,1,0,0|1,0,0]=3 9610 B14R2.662 CC1CCC1Nc2ccccc2Br Amb27606874 [0,1,0,1,0,0|2,0,0]=4 9611 B14R2.662 CC1CCC1Nc2ccccc2I Amb27250084 [0,1,0,1,0,0|2,0,0]=4 9612 B14R2.662 Cc1ccccc1CC2CCC2O Amb32945694 [0,1,0,1,0,0|0,0,0]=2 9613 B14R2.662 NC1CCC1Cc2ncccc2Br Amb28064545 [0,1,0,1,0,0|2,0,0]=4 9614 B14R2.662 Nc1ccncc1CC2CCC2O Amb32944694 [0,1,0,1,0,0|1,0,0]=3 9615 B14R2.662 Nc1ncccc1CC2CCC2O Amb32944728 [0,1,0,1,0,0|1,0,0]=3 9616 B14R2.662 OC1CCC1Cc2ccccc2Br Amb32944917 [0,1,0,1,0,0|0,0,0]=2 9617 B14R2.662 OC1CCC1Cc2ccccc2Cl Amb32950168 [0,1,0,1,0,0|0,0,0]=2 9618 B14R2.662 OC1CCC1Cc2ccccc2F Amb33213505 [0,1,0,1,0,0|0,0,0]=2 9619 B14R2.662 OC1CCC1Cc2ccncc2Br Amb32944205 [0,1,0,1,0,0|1,0,0]=3 9620 B14R2.662 OC1CCC1Cc2ccncc2Cl Amb32946007 [0,1,0,1,0,0|1,0,0]=3 9621 B14R2.662 OC1CCC1Cc2ncccc2Br Amb33213824 [0,1,0,1,0,0|1,0,0]=3 9622 B14R2.662 OC1CCC1Cc2ncccc2Cl Amb33213457 [0,1,0,1,0,0|1,0,0]=3 9623 B14R2.662 OC1CCC1Nc2ccccc2Cl Amb31199844 [0,1,0,1,0,0|1,0,0]=3 9624 B14R2.662 OC1CCC1Oc2ccccc2F Amb34931044 [0,1,0,1,0,0|1,0,0]=3 9625 B14R2.662 O[C@@H]1CC[C@H]1Nc2ncccc2Br Amb28318360 [0,1,0,1,0,0|2,0,0]=4 9626 B14R2.685 CC1CCNCc2c(F)cccc21 Amb28132915 [0,1,0,1,0,0|2,0,0]=4 9627 B14R2.685 CC1CNCCc2c(Cl)cccc21 Amb28323089 [0,1,0,1,0,0|2,0,0]=4 9628 B14R2.685 CN1CCCCc2c(Br)cccc21 Amb27610188 [0,1,0,1,0,0|2,0,0]=4 9629 B14R2.685 CN1CCCCc2c(Cl)cccc21 Amb27780874 [0,1,0,1,0,0|2,0,0]=4 9630 B14R2.685 C[C@H]1CNCCc2c(Cl)cccc21 Amb27878623 [0,1,0,1,0,0|2,0,0]=4 9631 B14R2.685 Cc1cccc2c1CCCCC2=O Amb27658898 [0,1,0,1,0,0|0,0,2]=4 9632 B14R2.685 Cc1cccc2c1CNCCC2O Amb24402089 [0,1,0,1,0,0|1,0,0]=3 9633 B14R2.685 Cc1cccc2c1NCCCC2F Amb27208604 [0,1,0,1,0,0|2,0,0]=4 9634 B14R2.685 Cc1cccc2c1NCCCC2N Amb22230205 [0,1,0,1,0,0|2,0,0]=4 9635 B14R2.685 Cc1cccc2c1OCCCC2N Amb9716185 [0,1,0,1,0,0|2,0,0]=4 9636 B14R2.685 Cc1cccc2c1OCCCC2S Amb32788162 [0,1,0,1,0,0|1,1,0]=4 9637 B14R2.685 Clc1ccnc2c1CCCCC2Cl Amb28428600 [0,1,0,1,0,0|2,0,0]=4 9638 B14R2.685 NC1CCCNc2c(Cl)cccc21 Amb24736453 [0,1,0,1,0,0|2,0,0]=4 9639 B14R2.685 NC1CCCOc2c(Br)cccc21 Amb8843619 [0,1,0,1,0,0|2,0,0]=4 9640 B14R2.685 NC1CCCOc2c(Cl)cccc21 Amb32712094 [0,1,0,1,0,0|2,0,0]=4 9641 B14R2.685 NC1CCCOc2c(Cl)cccc21 Amb8843618 [0,1,0,1,0,0|2,0,0]=4 9642 B14R2.685 NC1CCCOc2c(F)cccc21 Amb32941879 [0,1,0,1,0,0|2,0,0]=4 9643 B14R2.685 NC1CCCOc2c(F)cccc21 Amb9213199 [0,1,0,1,0,0|2,0,0]=4 9644 B14R2.685 NC1CCCSc2c(Br)cccc21 Amb8858004 [0,1,0,1,0,0|2,0,0]=4 9645 B14R2.685 NC1CCCSc2c(Cl)cccc21 Amb9213516 [0,1,0,1,0,0|2,0,0]=4 9646 B14R2.685 NC1CCSCc2c(Br)cccc21 Amb27408082 [0,1,0,1,0,0|2,0,0]=4 9647 B14R2.685 N[C@@H]1CCSCc2c(Br)cccc21 Amb27171157 [0,1,0,1,0,0|2,0,0]=4 9648 B14R2.685 N[C@@H]1CCSCc2c(Cl)cccc21 Amb28124596 [0,1,0,1,0,0|2,0,0]=4 9649 B14R2.685 N[C@@H]1CCSCc2c(F)cccc21 Amb27656577 [0,1,0,1,0,0|2,0,0]=4 9650 B14R2.685 N[C@H]1CCCOc2c(Br)cccc21 Amb28045376 [0,1,0,1,0,0|2,0,0]=4 9651 B14R2.685 N[C@H]1CCSCc2c(F)cccc21 Amb27402180 [0,1,0,1,0,0|2,0,0]=4 9652 B14R2.685 Nc1cccc2c1CCCCC2=O Amb22002661 [0,1,0,1,0,0|0,0,2]=4 9653 B14R2.685 O=C1CCCCc2c(Br)cccc21 Amb27177029 [0,1,0,1,0,0|0,0,2]=4 9654 B14R2.685 O=C1CCCCc2c(Cl)cccc21 Amb25039372 [0,1,0,1,0,0|0,0,2]=4 9655 B14R2.685 O=C1CCCCc2c(O)cccc21 Amb28434780 [0,1,0,1,0,0|0,0,2]=4 9656 B14R2.685 OC1CCCCc2c(Br)cccc21 Amb26576038 [0,1,0,1,0,0|0,0,0]=2 9657 B14R2.685 OC1CCCOc2c(Br)cccc21 Amb17582345 [0,1,0,1,0,0|1,0,0]=3 9658 B14R2.685 OC1CCCOc2c(F)cccc21 Amb33548777 [0,1,0,1,0,0|1,0,0]=3 9659 B14R2.685 O[C@@H]1CCCOc2c(Br)cccc21 Amb27600369 [0,1,0,1,0,0|1,0,0]=3 9660 B14R2.685 O[C@@H]1CCCOc2c(F)cccc21 Amb27826928 [0,1,0,1,0,0|1,0,0]=3 9661 B14R2.685 O[C@H]1CCCOc2c(F)cccc21 Amb28064420 [0,1,0,1,0,0|1,0,0]=3 9662 B14R2.685 Oc1cccc2c1CNCCC2F Amb28385143 [0,1,0,1,0,0|2,0,0]=4 9663 B14R2.1078 CCC1CCNc2c(C)cccc21 Amb18197093 [0,1,0,1,0,0|2,0,0]=4 9664 B14R2.1078 CCC1NCCc2c(Br)cccc21 Amb27869927 [0,1,0,1,0,0|2,0,0]=4 9665 B14R2.1078 CCC1NCCc2c(C)cccc21 Amb5735623 [0,1,0,1,0,0|2,0,0]=4 9666 B14R2.1078 CCC1NCCc2c(Cl)cccc21 Amb19064470 [0,1,0,1,0,0|2,0,0]=4 9667 B14R2.1078 CCN1CCCc2c(F)cccc21 Amb27652479 [0,1,0,1,0,0|2,0,0]=4 9668 B14R2.1078 CNC1CCCc2c(Br)cccc21 Amb27977627 [0,1,0,1,0,0|2,0,0]=4 9669 B14R2.1078 CNC1CCCc2c(O)cccc21 Amb27394202 [0,1,0,1,0,0|2,0,0]=4 9670 B14R2.1078 Cc1cccc2c1NCCC2CN Amb18062739 [0,1,0,1,0,0|2,0,0]=4 9671 B14R2.1078 Cc1cccc2c1NCCC2CO Amb24556782 [0,1,0,1,0,0|1,0,0]=3 9672 B14R2.1078 Cc1cccc2c1OCCC2CN Amb17233305 [0,1,0,1,0,0|2,0,0]=4 9673 B14R2.1078 Cc1cccc2c1SCCC2CN Amb18815614 [0,1,0,1,0,0|2,0,0]=4 9674 B14R2.1078 NCC1CCNc2c(Br)cccc21 Amb18728651 [0,1,0,1,0,0|2,0,0]=4 9675 B14R2.1078 NCC1CCNc2c(Cl)cccc21 Amb18560251 [0,1,0,1,0,0|2,0,0]=4 9676 B14R2.1078 NCC1CCNc2c(F)cccc21 Amb18560250 [0,1,0,1,0,0|2,0,0]=4 9677 B14R2.1078 NCC1CCNc2c(O)cccc21 Amb18195209 [0,1,0,1,0,0|2,0,0]=4 9678 B14R2.1078 NCC1CCOc2c(Br)cccc21 Amb18156043 [0,1,0,1,0,0|2,0,0]=4 9679 B14R2.1078 NCC1CCOc2c(Cl)cccc21 Amb17236674 [0,1,0,1,0,0|2,0,0]=4 9680 B14R2.1078 NCC1CCOc2c(F)cccc21 Amb17233793 [0,1,0,1,0,0|2,0,0]=4 9681 B14R2.1078 NCC1CCOc2c(O)cccc21 Amb18194646 [0,1,0,1,0,0|2,0,0]=4 9682 B14R2.1078 NCC1CCSc2c(Cl)cccc21 Amb18173022 [0,1,0,1,0,0|2,0,0]=4 9683 B14R2.1078 NCC1CCSc2c(F)cccc21 Amb18188368 [0,1,0,1,0,0|2,0,0]=4 9684 B14R2.1078 NCC1CCSc2c(O)cccc21 Amb18189307 [0,1,0,1,0,0|2,0,0]=4 9685 B14R2.1078 Nc1cccc2c1CCN[C@H]2CO Amb27664430 [0,1,0,1,0,0|1,0,0]=3 9686 B14R2.1078 OCC1CCNc2c(Br)cccc21 Amb28348710 [0,1,0,1,0,0|1,0,0]=3 9687 B14R2.1078 OCC1CCNc2c(Cl)cccc21 Amb24359116 [0,1,0,1,0,0|1,0,0]=3 9688 B14R2.1078 OCC1CCNc2c(F)cccc21 Amb26049822 [0,1,0,1,0,0|1,0,0]=3 9689 B14R2.1078 OCC1CCOc2c(Br)cccc21 Amb26656730 [0,1,0,1,0,0|1,0,0]=3 9690 B14R2.1078 OCC1NCCc2c(Br)cccc21 Amb27600919 [0,1,0,1,0,0|1,0,0]=3 9691 B14R2.1078 OCC1OCCc2c(Br)cccc21 Amb27479945 [0,1,0,1,0,0|1,0,0]=3 9692 B14R2.1078 OC[C@@H]1NCCc2c(O)cccc21 Amb27867447 [0,1,0,1,0,0|1,0,0]=3 9693 B14R2.1078 OC[C@H]1NCCc2c(O)cccc21 Amb27196490 [0,1,0,1,0,0|1,0,0]=3 9694 B14R2.1078 O\N=C1/CCCc2c(F)cccc21 Amb22232928 [0,1,0,1,0,0|1,0,1]=4 9695 B14R2.1078 Oc1cccc2c1CCNC2CF Amb27429055 [0,1,0,1,0,0|2,0,0]=4 9696 B14R2.1091 Cc1ccccc1N2CCC2CN Amb29852856 [0,1,0,1,0,0|2,0,0]=4 9697 B14R2.1091 Cc1ccncc1C2CCC2CN Amb27620242 [0,1,0,1,0,0|2,0,0]=4 9698 B14R2.1091 NCC1CCC1c2ccccc2Cl Amb27759755 [0,1,0,1,0,0|1,0,0]=3 9699 B14R2.1091 NCC1CCN1c2ccccc2Br Amb29852852 [0,1,0,1,0,0|2,0,0]=4 9700 B14R2.1091 NCC1CCN1c2ccccc2Cl Amb35595727 [0,1,0,1,0,0|2,0,0]=4 9701 B14R2.1091 NCC1CCN1c2ccccc2F Amb35595744 [0,1,0,1,0,0|2,0,0]=4 9702 B14R2.1091 NCC1CCN1c2ccccc2I Amb35595341 [0,1,0,1,0,0|2,0,0]=4 9703 B14R2.1158 CNC1CC1Cc2ccccc2F Amb27445927 [0,1,0,1,0,0|2,0,0]=4 9704 B14R2.1158 Cc1cnccc1N[C@@H]2C[C@H]2CO Amb27842998 [0,1,0,1,0,0|2,0,0]=4 9705 B14R2.1158 NCC1CC1Cc2ccccc2Cl Amb27186334 [0,1,0,1,0,0|1,0,0]=3 9706 B14R2.1158 OCC1CC1Nc2ccncc2Br Amb27479201 [0,1,0,1,0,0|2,0,0]=4 9707 B14R2.1158 OCC1CC1Nc2ncccc2Cl Amb28140455 [0,1,0,1,0,0|2,0,0]=4 9708 B14R2.1158 OCC1CC1Nc2ncccc2F Amb27604064 [0,1,0,1,0,0|2,0,0]=4 9709 B14R2.1158 OCC1CC1Sc2ccccc2Br Amb27829247 [0,1,0,1,0,0|1,0,0]=3 9710 B14R2.1158 OCC1CC1Sc2ncccc2Cl Amb27756047 [0,1,0,1,0,0|2,0,0]=4 9711 B14R2.1158 OCC1C\C1=C/c2ccccc2Cl Amb33733865 [0,1,0,1,0,0|0,0,2]=4 9712 B14R2.1158 OC[C@@H]1C[C@H]1Nc2ccncc2Cl Amb27420741 [0,1,0,1,0,0|2,0,0]=4 9713 B14R2.1158 OC[C@@H]1C[C@H]1Nc2ncccc2F Amb25870019 [0,1,0,1,0,0|2,0,0]=4 9714 B14R2.1158 OC[C@@H]1C[C@H]1Nc2ncccc2I Amb27965086 [0,1,0,1,0,0|2,0,0]=4 9715 B14R2.4622 Brc1ccccc1CNCC2CC2 Amb6686900 [0,1,0,1,0,0|2,0,0]=4 9716 B14R2.4622 Cc1ccccc1CCNC2CC2 Amb8853827 [0,1,0,1,0,0|2,0,0]=4 9717 B14R2.4622 Clc1ccccc1CCNC2CC2 Amb8853829 [0,1,0,1,0,0|2,0,0]=4 9718 B14R2.4622 Clc1ccccc1CNCC2CC2 Amb6686678 [0,1,0,1,0,0|2,0,0]=4 9719 B14R2.4622 Clc1ccccc1COCC2CO2 Amb9723178 [0,1,0,1,0,0|1,0,0]=3 9720 B14R2.4622 Clc1ccccc1NCCC2CC2 Amb27663219 [0,1,0,1,0,0|2,0,0]=4 9721 B14R2.4622 Fc1ccccc1CCNC2CC2 Amb8853845 [0,1,0,1,0,0|2,0,0]=4 9722 B14R2.4622 Fc1ccccc1CNCC2CC2 Amb28555833 [0,1,0,1,0,0|2,0,0]=4 9723 B14R2.4622 Fc1ccccc1CNCC2CC2 Amb6686880 [0,1,0,1,0,0|2,0,0]=4 9724 B14R2.4622 Fc1ccccc1COCC2CO2 Amb1107445 [0,1,0,1,0,0|1,0,0]=3 9725 B14R2.4622 Fc1ccccc1NCCC2CC2 Amb27663220 [0,1,0,1,0,0|2,0,0]=4 9726 B14R2.4622 Nc1ccccc1OCCC2CC2 Amb33035391 [0,1,0,1,0,0|2,0,0]=4 9727 B14R2.4634 Brc1ccccc1OCC2CCN2 Amb27635651 [0,1,0,1,0,0|2,0,0]=4 9728 B14R2.4634 Cc1ccccc1CNC2CCC2 Amb18296890 [0,1,0,1,0,0|2,0,0]=4 9729 B14R2.4634 Cc1ccccc1CSC2CCC2 Amb27262418 [0,1,0,1,0,0|2,0,0]=4 9730 B14R2.4634 Cc1ccccc1NCC2CCC2 Amb27181057 [0,1,0,1,0,0|2,0,0]=4 9731 B14R2.4634 Cc1ccccc1OCC2CCC2 Amb27177114 [0,1,0,1,0,0|2,0,0]=4 9732 B14R2.4634 Cc1ccccc1OCC2CCN2 Amb27229217 [0,1,0,1,0,0|2,0,0]=4 9733 B14R2.4634 Clc1ccccc1CNC2CCC2 Amb18330656 [0,1,0,1,0,0|2,0,0]=4 9734 B14R2.4634 Clc1ccccc1NCC2CCC2 Amb4313902 [0,1,0,1,0,0|2,0,0]=4 9735 B14R2.4634 Fc1ccccc1CCC2CNC2 Amb28199132 [0,1,0,1,0,0|2,0,0]=4 9736 B14R2.4634 Fc1ccccc1CNC2CCC2 Amb18296789 [0,1,0,1,0,0|2,0,0]=4 9737 B14R2.4634 Fc1ccccc1CNC2CCC2 Amb20630141 [0,1,0,1,0,0|2,0,0]=4 9738 B14R2.4634 Fc1ccccc1OCC2CCC2 Amb27177115 [0,1,0,1,0,0|2,0,0]=4 9739 B14R2.4634 Fc1ccccc1OCC2CCN2 Amb28384789 [0,1,0,1,0,0|2,0,0]=4 9740 B14R2.4634 Ic1ccccc1CNC2CCC2 Amb28183137 [0,1,0,1,0,0|2,0,0]=4 9741 B14R2.4634 Ic1ccccc1NCC2CCC2 Amb28365065 [0,1,0,1,0,0|2,0,0]=4 9742 B14R2.4634 Nc1ccccc1CCC2CNC2 Amb28132853 [0,1,0,1,0,0|2,0,0]=4 9743 B14R2.4634 Nc1ccccc1CNC2CCC2 Amb18990489 [0,1,0,1,0,0|2,0,0]=4 9744 B14R2.4634 Nc1ccccc1OCC2CCC2 Amb24116381 [0,1,0,1,0,0|2,0,0]=4 9745 B14R2.4634 Oc1ccccc1CNC2CCC2 Amb18990401 [0,1,0,1,0,0|2,0,0]=4 9746 B14R2.4634 Oc1ccccc1OCC2CCC2 Amb27181162 [0,1,0,1,0,0|2,0,0]=4 9747 B14R2.95 C#CC(C)C1CCc2ccccc21 Amb33145115 [0,1,0,1,0,0|1,0,1]=4 9748 B14R2.95 C#CC(N)C1CCc2ccccc21 Amb25751974 [0,1,0,1,0,0|1,0,1]=4 9749 B14R2.95 C#CC(N)C1CCc2ccccc21 Amb33483475 [0,1,0,1,0,0|1,0,1]=4 9750 B14R2.95 C#C[C@H](O)C1CCc2ccccc21 Amb27476756 [0,1,0,1,0,0|1,0,1]=4 9751 B14R2.95 C=C(CBr)C1CCc2ccccc21 Amb33431327 [0,1,0,1,0,0|1,0,1]=4 9752 B14R2.95 C=C(CN)C1CCc2ccccc21 Amb33145107 [0,1,0,1,0,0|1,0,1]=4 9753 B14R2.95 C=CC(O)C1CCc2ccccc21 Amb24523934 [0,1,0,1,0,0|1,0,1]=4 9754 B14R2.95 CC(C#N)C1CCc2ccccc21 Amb33146100 [0,1,0,1,0,0|1,0,1]=4 9755 B14R2.95 CC(C=O)C1CCc2ccccc21 Amb33145112 [0,1,0,1,0,0|0,0,2]=4 9756 B14R2.95 CC(CBr)C1CCc2ccccc21 Amb33430895 [0,1,0,1,0,0|1,0,0]=3 9757 B14R2.95 CC(CN)C1CCc2ccccc21 Amb25325269 [0,1,0,1,0,0|1,0,0]=3 9758 B14R2.95 CC(CN)C1COc2ccccc21 Amb26530064 [0,1,0,1,0,0|2,0,0]=4 9759 B14R2.95 CC(CN)C1OCc2ccccc21 Amb33735118 [0,1,0,1,0,0|2,0,0]=4 9760 B14R2.95 CC(CN)N1CCc2ccccc21 Amb6892876 [0,1,0,1,0,0|2,0,0]=4 9761 B14R2.95 CC(CN)N1CCc2ccccc21 Amb6892910 [0,1,0,1,0,0|2,0,0]=4 9762 B14R2.95 CC(CN)N1CCc2ccccc21 Amb9708041 [0,1,0,1,0,0|2,0,0]=4 9763 B14R2.95 CC(CO)C1CCc2ccccc21 Amb24413002 [0,1,0,1,0,0|0,0,0]=2 9764 B14R2.95 CC(CO)C1COc2ccccc21 Amb33745861 [0,1,0,1,0,0|1,0,0]=3 9765 B14R2.95 CC(CO)C1OCc2ccccc21 Amb33746123 [0,1,0,1,0,0|1,0,0]=3 9766 B14R2.95 CC(ON)C1CCc2ccccc21 Amb33145735 [0,1,0,1,0,0|2,0,0]=4 9767 B14R2.95 CCC(C)N1CCc2ccccc21 Amb27833375 [0,1,0,1,0,0|2,0,0]=4 9768 B14R2.95 CCC(Cl)C1CCc2ccccc21 Amb27485302 [0,1,0,1,0,0|1,0,0]=3 9769 B14R2.95 CCC(N)C1CCc2ccccc21 Amb27590750 [0,1,0,1,0,0|1,0,0]=3 9770 B14R2.95 CCC(N)C1COc2ccccc21 Amb27601806 [0,1,0,1,0,0|2,0,0]=4 9771 B14R2.95 CCC(O)C1CCc2ccccc21 Amb27179944 [0,1,0,1,0,0|1,0,0]=3 9772 B14R2.95 CCC(O)C1CNc2ccccc21 Amb35622375 [0,1,0,1,0,0|2,0,0]=4 9773 B14R2.95 CCC(O)C1CSc2ccccc21 Amb27834520 [0,1,0,1,0,0|2,0,0]=4 9774 B14R2.95 CC[C@H](N)C1COc2ccccc21 Amb27811825 [0,1,0,1,0,0|2,0,0]=4 9775 B14R2.95 CC[C@H](O)C1CCc2ccccc21 Amb27619104 [0,1,0,1,0,0|1,0,0]=3 9776 B14R2.95 CNC(C)C1CCc2ccccc21 Amb27593592 [0,1,0,1,0,0|2,0,0]=4 9777 B14R2.95 C[C@@H](CN)C1CCc2ccccc21 Amb33727865 [0,1,0,1,0,0|1,0,0]=3 9778 B14R2.95 C[C@@H](CN)C1COc2ccccc21 Amb33743136 [0,1,0,1,0,0|2,0,0]=4 9779 B14R2.95 C[C@@H](CN)C1OCc2ccccc21 Amb33730008 [0,1,0,1,0,0|2,0,0]=4 9780 B14R2.95 C[C@@H](CN)N1CCc2ccccc21 Amb27415652 [0,1,0,1,0,0|2,0,0]=4 9781 B14R2.95 C[C@@H](CO)C1CCc2ccccc21 Amb33746886 [0,1,0,1,0,0|0,0,0]=2 9782 B14R2.95 C[C@@H](CO)C1COc2ccccc21 Amb33747146 [0,1,0,1,0,0|1,0,0]=3 9783 B14R2.95 C[C@@H](CO)C1OCc2ccccc21 Amb33739408 [0,1,0,1,0,0|1,0,0]=3 9784 B14R2.95 C[C@H](CN)C1CCc2ccccc21 Amb33730077 [0,1,0,1,0,0|1,0,0]=3 9785 B14R2.95 C[C@H](CN)C1COc2ccccc21 Amb33748004 [0,1,0,1,0,0|2,0,0]=4 9786 B14R2.95 C[C@H](CN)C1OCc2ccccc21 Amb33727720 [0,1,0,1,0,0|2,0,0]=4 9787 B14R2.95 C[C@H](CO)C1=CCc2ccccc21 Amb28350278 [0,1,0,1,0,0|0,0,2]=4 9788 B14R2.95 C[C@H](CO)C1CCc2ccccc21 Amb33730883 [0,1,0,1,0,0|0,0,0]=2 9789 B14R2.95 C[C@H](CO)C1COc2ccccc21 Amb33743121 [0,1,0,1,0,0|1,0,0]=3 9790 B14R2.95 C[C@H](CO)C1OCc2ccccc21 Amb33748553 [0,1,0,1,0,0|1,0,0]=3 9791 B14R2.95 NC(CO)C1CCc2ccccc21 Amb25692204 [0,1,0,1,0,0|0,0,0]=2 9792 B14R2.95 NC(CO)C1CCc2ccccc21 Amb33483403 [0,1,0,1,0,0|0,0,0]=2 9793 B14R2.95 NC(CO)C1CNc2ccccc21 Amb28135906 [0,1,0,1,0,0|1,0,0]=3 9794 B14R2.95 NCC(=O)C1CCc2ccccc21 Amb33146124 [0,1,0,1,0,0|1,0,1]=4 9795 B14R2.95 NCC(F)C1CCc2ccccc21 Amb33145747 [0,1,0,1,0,0|1,0,0]=3 9796 B14R2.95 NCC(F)C1CCc2cccnc21 Amb28250547 [0,1,0,1,0,0|2,0,0]=4 9797 B14R2.95 NCC(O)C1CCc2ccccc21 Amb33146125 [0,1,0,1,0,0|1,0,0]=3 9798 B14R2.95 NCC(O)C1COc2ccccc21 Amb23586298 [0,1,0,1,0,0|2,0,0]=4 9799 B14R2.95 NCC(O)C1NCc2ccccc21 Amb28190426 [0,1,0,1,0,0|2,0,0]=4 9800 B14R2.95 NC[C@@H](O)C1CCc2ccccc21 Amb33145745 [0,1,0,1,0,0|1,0,0]=3 9801 B14R2.95 NC[C@H](O)C1CCc2ccccc21 Amb33145746 [0,1,0,1,0,0|1,0,0]=3 9802 B14R2.95 N[C@@H](CO)C1CCc2ccccc21 Amb24490605 [0,1,0,1,0,0|0,0,0]=2 9803 B14R2.95 N[C@H](CO)C1CCc2ccccc21 Amb33146048 [0,1,0,1,0,0|0,0,0]=2 9804 B14R2.95 N\C(=N\O)C1CCc2ccccc21 Amb24366744 [0,1,0,1,0,0|1,0,1]=4 9805 B14R2.95 O=C(CO)C1CCc2ccccc21 Amb27772744 [0,1,0,1,0,0|0,0,1]=3 9806 B14R2.95 O=C(CO)N1CCc2ccccc21 Amb9421614 [0,1,0,1,0,0|1,0,1]=4 9807 B14R2.95 OC(CBr)C1CCc2ccccc21 Amb33430900 [0,1,0,1,0,0|1,0,0]=3 9808 B14R2.95 OC(CF)C1CCc2ccccc21 Amb33145110 [0,1,0,1,0,0|1,0,0]=3 9809 B14R2.95 OCC(O)C1CCc2ccccc21 Amb33226438 [0,1,0,1,0,0|0,0,0]=2 9810 B14R2.95 [C-]#[N+]C(C)C1CCc2ccccc21 Amb33145753 [0,1,0,1,0,0|2,0,0]=4 9811 B14R2.279 C=C1CCSc2ccccc2C1O Amb5721794 [0,1,0,1,0,0|1,0,1]=4 9812 B14R2.279 CC1CCCc2ccccc2C1=O Amb18183849 [0,1,0,1,0,0|0,0,2]=4 9813 B14R2.279 CC1CCCc2ccccc2C1N Amb18943813 [0,1,0,1,0,0|1,0,0]=3 9814 B14R2.279 CC1CSCc2ccccc2C1O Amb27757474 [0,1,0,1,0,0|1,0,0]=3 9815 B14R2.279 NC1CCCc2cccnc2C1O Amb28342442 [0,1,0,1,0,0|1,0,0]=3 9816 B14R2.279 NC1CCOc2ccccc2C1O Amb22035228 [0,1,0,1,0,0|1,0,0]=3 9817 B14R2.279 NC1c2ccccc2CCCC1O Amb8855260 [0,1,0,1,0,0|1,0,0]=3 9818 B14R2.279 N[C@@H]1CCOc2ccccc2[C@H]1O Amb27788441 [0,1,0,1,0,0|1,0,0]=3 9819 B14R2.279 N[C@H]1CCCc2ccccc2[C@@H]1O Amb27791781 [0,1,0,1,0,0|0,0,0]=2 9820 B14R2.279 N[C@H]1CCCc2cccnc2[C@@H]1O Amb27857847 [0,1,0,1,0,0|1,0,0]=3 9821 B14R2.279 N[C@H]1CCOc2ccccc2[C@@H]1O Amb27774875 [0,1,0,1,0,0|1,0,0]=3 9822 B14R2.279 N[C@H]1c2ccccc2CCC[C@@H]1O Amb24620454 [0,1,0,1,0,0|1,0,0]=3 9823 B14R2.279 O=C1c2ccccc2CCCC1Br Amb17088006 [0,1,0,1,0,0|0,0,2]=4 9824 B14R2.279 O=C1c2ccccc2CCC[C@H]1Cl Amb28366210 [0,1,0,1,0,0|0,0,2]=4 9825 B14R2.279 O[C@H]1CCCc2ccccc2[C@@H]1O Amb28319928 [0,1,0,1,0,0|0,0,0]=2 9826 B14R2.279 O[C@H]1CCCc2ccccc2[C@H]1O Amb28139888 [0,1,0,1,0,0|0,0,0]=2 9827 B14R2.279 O[C@H]1CCOc2ccccc2[C@H]1O Amb28205961 [0,1,0,1,0,0|1,0,0]=3 9828 B14R2.427 C[C@@H]1[C@@H](O)CN1Cc2ccccc2 Amb27422629 [0,1,0,1,0,0|2,0,0]=4 9829 B14R2.427 C[C@@H]1[C@H](O)CN1Cc2ccccc2 Amb28350253 [0,1,0,1,0,0|2,0,0]=4 9830 B14R2.427 C[C@H]1C(=O)C[C@@H]1Cc2ccccc2 Amb28202308 [0,1,0,1,0,0|1,0,1]=4 9831 B14R2.427 O=C1N[C@@H](Cc2ccccc2)[C@H]1O Amb27653339 [0,1,0,1,0,0|1,0,1]=4 9832 B14R2.427 O[C@@H]1C(Cl)=C[C@@H]1Cc2ccccc2 Amb27969820 [0,1,0,1,0,0|0,0,2]=4 9833 B14R2.958 CC(NN)C1CC1c2ccccc2 Amb27247871 [0,1,0,1,0,0|2,0,0]=4 9834 B14R2.958 CCC(=O)[C@H]1CC1c2ccccc2 Amb28126605 [0,1,0,1,0,0|1,0,1]=4 9835 B14R2.958 CC[C@@H](O)[C@@H]1C[C@H]1c2ccccc2 Amb27218654 [0,1,0,1,0,0|1,0,0]=3 9836 B14R2.958 C\C(=N\O)C1CC1c2ccccc2 Amb29838174 [0,1,0,1,0,0|1,0,1]=4 9837 B14R2.958 N#CC(O)C1CC1c2ccccc2 Amb27665430 [0,1,0,1,0,0|1,0,1]=4 9838 B14R2.958 N#CC(O)[C@H]1C[C@@H]1c2ccccc2 Amb28205945 [0,1,0,1,0,0|1,0,1]=4 9839 B14R2.958 N#C[C@@H](O)[C@H]1C[C@@H]1c2ccccc2 Amb27853767 [0,1,0,1,0,0|1,0,1]=4 9840 B14R2.958 N#C[C@H](O)[C@H]1C[C@@H]1c2ccccc2 Amb27197227 [0,1,0,1,0,0|1,0,1]=4 9841 B14R2.958 NCC(=O)C1CC1c2ccccc2 Amb27811597 [0,1,0,1,0,0|1,0,1]=4 9842 B14R2.958 O=C(CBr)[C@@H]1C[C@H]1c2ccccc2 Amb35752595 [0,1,0,1,0,0|1,0,1]=4 9843 B14R2.958 O=C(CCl)C1CC1c2ccccc2 Amb27609156 [0,1,0,1,0,0|1,0,1]=4 9844 B14R2.958 O=CC(O)C1CC1c2ccccc2 Amb27874923 [0,1,0,1,0,0|0,0,2]=4 9845 B14R2.958 OCC(O)C1CC1c2ccccc2 Amb27179517 [0,1,0,1,0,0|0,0,0]=2 9846 B14R2.958 OCC(O)[C@H]1C[C@@H]1c2ccccc2 Amb27197230 [0,1,0,1,0,0|0,0,0]=2 9847 B14R2.958 OC[C@@H](O)[C@H]1C[C@@H]1c2ccccc2 Amb27420635 [0,1,0,1,0,0|0,0,0]=2 9848 B14R2.958 OC[C@H](O)[C@H]1C[C@@H]1c2ccccc2 Amb27966686 [0,1,0,1,0,0|0,0,0]=2 9849 B14R2.2956 C[C@]1(CO)O[C@H]1Cc2ccccc2 Amb28318181 [0,1,0,1,0,0|1,0,0]=3 9850 B14R2.2956 N#CC1(N)CC1Cc2ccccc2 Amb27950915 [0,1,0,1,0,0|1,0,1]=4 9851 B14R2.2969 CC1(CCl)COC1c2ccccc2 Amb27413484 [0,1,0,1,0,0|2,0,0]=4 9852 B14R2.3459 C#CC1(O)CCCc2ccccc21 Amb27241997 [0,1,0,1,0,0|1,0,1]=4 9853 B14R2.3459 CC1(C=O)CCCc2ccccc21 Amb26316838 [0,1,0,1,0,0|0,0,2]=4 9854 B14R2.3459 CC1(CBr)CCCc2ccccc21 Amb27982333 [0,1,0,1,0,0|1,0,0]=3 9855 B14R2.3459 CC1(CBr)CCOc2ccccc21 Amb32988370 [0,1,0,1,0,0|2,0,0]=4 9856 B14R2.3459 CC1(CN)CCCc2ccccc21 Amb18280537 [0,1,0,1,0,0|1,0,0]=3 9857 B14R2.3459 CC1(CN)CCCc2ccccc21 Amb33291367 [0,1,0,1,0,0|1,0,0]=3 9858 B14R2.3459 CC1(CN)CCNc2ccccc21 Amb28139733 [0,1,0,1,0,0|2,0,0]=4 9859 B14R2.3459 CC1(CN)CCOc2ccccc21 Amb25865046 [0,1,0,1,0,0|2,0,0]=4 9860 B14R2.3459 CC1(CN)COCc2ccccc21 Amb27166400 [0,1,0,1,0,0|2,0,0]=4 9861 B14R2.3459 CC1(CN)OCCc2ccccc21 Amb32671365 [0,1,0,1,0,0|2,0,0]=4 9862 B14R2.3459 CC1(CN)SCCc2ccccc21 Amb28137776 [0,1,0,1,0,0|2,0,0]=4 9863 B14R2.3459 CC1(CO)C=CCc2ccccc21 Amb27833671 [0,1,0,1,0,0|0,0,2]=4 9864 B14R2.3459 CC1(CO)CCCc2ccccc21 Amb28144512 [0,1,0,1,0,0|0,0,0]=2 9865 B14R2.3459 CC1(CO)CCOc2ccccc21 Amb25923403 [0,1,0,1,0,0|1,0,0]=3 9866 B14R2.3459 CCC1(N)CCOc2ccccc21 Amb17519256 [0,1,0,1,0,0|2,0,0]=4 9867 B14R2.3459 NC1(CO)CCCc2ccccc21 Amb18944455 [0,1,0,1,0,0|0,0,0]=2 9868 B14R2.3459 NC1(CO)CCOc2ccccc21 Amb18944442 [0,1,0,1,0,0|1,0,0]=3 9869 B14R2.3459 NCC1(F)CCCc2ccccc21 Amb28348777 [0,1,0,1,0,0|1,0,0]=3 9870 B14R2.3459 NCC1(N)CCOc2ccccc21 Amb27228884 [0,1,0,1,0,0|2,0,0]=4 9871 B14R2.3459 NCC1(O)CCCc2ccccc21 Amb1993966 [0,1,0,1,0,0|1,0,0]=3 9872 B14R2.3459 NCC1(O)CCCc2ccccc21 Amb9783355 [0,1,0,1,0,0|1,0,0]=3 9873 B14R2.3459 NCC1(O)CCCc2cccnc21 Amb28242529 [0,1,0,1,0,0|2,0,0]=4 9874 B14R2.3459 NCC1(O)CCCc2cnccc21 Amb28369796 [0,1,0,1,0,0|2,0,0]=4 9875 B14R2.3459 NCC1(O)CCOc2ccccc21 Amb22728925 [0,1,0,1,0,0|2,0,0]=4 9876 B14R2.3459 NCC1(O)CCOc2ccccc21 Amb9295108 [0,1,0,1,0,0|2,0,0]=4 9877 B14R2.3459 NCC1(O)CCSc2ccccc21 Amb18910881 [0,1,0,1,0,0|2,0,0]=4 9878 B14R2.3459 O=C[C@@]1(F)CCCc2ccccc21 Amb28253808 [0,1,0,1,0,0|0,0,2]=4 9879 B14R2.3459 OC1(CBr)CCCc2ccccc21 Amb27259673 [0,1,0,1,0,0|1,0,0]=3 9880 B14R2.3459 OCC1(O)CCCc2ccccc21 Amb27629998 [0,1,0,1,0,0|0,0,0]=2 9881 B14R2.3459 OCC1(O)CCSc2ccccc21 Amb27427064 [0,1,0,1,0,0|1,0,0]=3 9882 B14R2.3459 OCC1(O)COCc2ccccc21 Amb27397874 [0,1,0,1,0,0|1,0,0]=3 9883 B14R2.3459 OC[C@@]1(O)CCCc2ccccc21 Amb27761543 [0,1,0,1,0,0|0,0,0]=2 9884 B14R2.4514 CC1C(=O)CCC1c2ccccc2 Amb24051457 [0,1,0,1,0,0|1,0,1]=4 9885 B14R2.4514 CC1C(Br)CCC1c2ccccc2 Amb28461113 [0,1,0,1,0,0|1,0,0]=3 9886 B14R2.4514 CC1C(O)CCC1c2ccccc2 Amb27607035 [0,1,0,1,0,0|1,0,0]=3 9887 B14R2.4514 CC1CNC(c2ccccc2)C1C Amb27620724 [0,1,0,1,0,0|2,0,0]=4 9888 B14R2.4514 C[C@@H]1CO[C@@H](c2ccccc2)[C@@H]1N Amb28058345 [0,1,0,1,0,0|2,0,0]=4 9889 B14R2.4514 C[C@@H]1[C@H](Cl)CO[C@@H]1c2ccccc2 Amb28052058 [0,1,0,1,0,0|2,0,0]=4 9890 B14R2.4514 C[C@H]1C(=O)CC[C@@H]1c2ccccc2 Amb27428256 [0,1,0,1,0,0|1,0,1]=4 9891 B14R2.4514 C[C@H]1[C@H](Cl)CO[C@H]1c2ccccc2 Amb28051839 [0,1,0,1,0,0|2,0,0]=4 9892 B14R2.4514 C[C@H]1[C@H](O)CC[C@H]1c2ccccc2 Amb28321346 [0,1,0,1,0,0|1,0,0]=3 9893 B14R2.4514 O=C1OCC(c2ccccc2)C1O Amb27653185 [0,1,0,1,0,0|1,0,1]=4 9894 B14R2.4514 OC1CCC(c2ccccc2)C1O Amb28318736 [0,1,0,1,0,0|0,0,0]=2 9895 B14R2.4514 OC1CN=C(c2ccccc2)C1O Amb27415414 [0,1,0,1,0,0|1,0,1]=4 9896 B14R2.4514 O[C@@H]1CO[C@H](c2ccccc2)[C@@H]1O Amb28053771 [0,1,0,1,0,0|1,0,0]=3 9897 B14R2.4514 O[C@H]1CN[C@@H](c2ccccc2)[C@@H]1O Amb28146027 [0,1,0,1,0,0|1,0,0]=3 9898 B14R2.4514 O[C@H]1CO[C@H](c2ccccc2)[C@H]1O Amb27849970 [0,1,0,1,0,0|1,0,0]=3 9899 B14R2.4881 CC1(CCNc2ccccc2)CC1 Amb27247619 [0,1,0,1,0,0|2,0,0]=4 9900 B14R2.4881 CC1(CCOc2ccccc2)CO1 Amb33080523 [0,1,0,1,0,0|1,0,0]=3 9901 B14R2.4881 CC1(COCc2ccccc2)CO1 Amb22347502 [0,1,0,1,0,0|1,0,0]=3 9902 B14R2.4881 FC1(CNCc2ccccc2)CC1 Amb28043889 [0,1,0,1,0,0|2,0,0]=4 9903 B14R2.4881 NC1(CCCc2ccccc2)CC1 Amb18560538 [0,1,0,1,0,0|1,0,0]=3 9904 B14R2.4881 NC1(CCOc2ccccc2)CC1 Amb18313539 [0,1,0,1,0,0|2,0,0]=4 9905 B14R2.4881 OC1(CCCc2ccccc2)CC1 Amb18184097 [0,1,0,1,0,0|1,0,0]=3 9906 B14R2.4881 OC1(CCNc2ccccc2)CC1 Amb28045524 [0,1,0,1,0,0|2,0,0]=4 9907 B14R2.4881 OC1(CCOc2ccccc2)CC1 Amb18804751 [0,1,0,1,0,0|2,0,0]=4 9908 B14R2.35816 CCN(C)CC1Cc2ccccc21 Amb27197364 [0,1,0,1,0,0|2,0,0]=4 9909 B14R2.35816 NCC(O)CC1Cc2ccccc21 Amb35588577 [0,1,0,1,0,0|1,0,0]=3 9910 B14R3.7 NC1CC12CCc3ccccc32 Amb18797552 [0,0,0,2,0,0|1,0,0]=3 9911 B14R3.7 NC1CC12CCc3ccccc32 Amb33549503 [0,0,0,2,0,0|1,0,0]=3 9912 B14R3.7 NC1CC12CNc3ccccc32 Amb32701108 [0,0,0,2,0,0|2,0,0]=4 9913 B14R3.49 B1N[C@@H]2c3ccccc3C[C@@H]2O1 Amb28143122 [0,0,0,2,0,0|2,0,0]=4 9914 B14R3.49 c1ccc2c(c1)CC3CCNC23 Amb27770096 [0,0,0,2,0,0|2,0,0]=4 9915 B14R3.49 c1ccc2c(c1)CN3CCCN23 Amb28198664 [0,0,0,2,0,0|2,0,0]=4 9916 B14R3.49 c1ccc2c(c1)NC3CCCC23 Amb22802457 [0,0,0,2,0,0|1,0,0]=3 9917 B14R3.49 c1ccc2c(c1)N[C@@H]3CCC[C@H]23 Amb27647586 [0,0,0,2,0,0|1,0,0]=3 9918 B14R3.49 c1ccc2c(c1)N[C@H]3CCC[C@@H]23 Amb27227996 [0,0,0,2,0,0|1,0,0]=3 9919 B14R3.51 c1ccc2c(c1)CCC2C3CO3 Amb33146095 [0,0,0,2,0,0|0,0,0]=2 9920 B14R3.51 c1ccc2c(c1)CCC2[C@@H]3CO3 Amb33143936 [0,0,0,2,0,0|0,0,0]=2 9921 B14R3.51 c1ccc2c(c1)CCC2[C@H]3CO3 Amb33226278 [0,0,0,2,0,0|0,0,0]=2 9922 B14R3.51 c1ccc2c(c1)CNC2C3CC3 Amb27260553 [0,0,0,2,0,0|2,0,0]=4 9923 B14R3.51 c1ccc2c(c1)NCC2C3CC3 Amb27270822 [0,0,0,2,0,0|2,0,0]=4 9924 B14R3.164 C1=CC2CCCc3cccc1c32 Amb26880106 [0,0,0,2,0,0|1,0,1]=4 9925 B14R3.164 c1cc2c3c(c1)CCC3NCC2 Amb2795567 [0,0,0,2,0,0|2,0,0]=4 9926 B14R3.164 c1cc2c3c(c1)CCN3CCC2 Amb20621085 [0,0,0,2,0,0|2,0,0]=4 9927 B14R3.164 c1cc2c3c(c1)NCC3CCC2 Amb18061640 [0,0,0,2,0,0|1,0,0]=3 9928 B14R3.164 c1cc2c3c(c1)NCCC3CC2 Amb18563417 [0,0,0,2,0,0|1,0,0]=3 9929 B14R3.164 c1cc2c3c(c1)NCCN3CC2 Amb18137547 [0,0,0,2,0,0|2,0,0]=4 9930 B14R3.164 c1cc2c3c(c1)NCN3CCC2 Amb5750777 [0,0,0,2,0,0|2,0,0]=4 9931 B14R3.164 c1cc2c3c(c1)OCCN3CC2 Amb17334527 [0,0,0,2,0,0|1,0,0]=3 9932 B14R3.608 CN1C[C@@H]2C[C@H]1c3ccccc32 Amb28137815 [0,0,0,2,0,0|2,0,0]=4 9933 B14R3.608 ClC1CC2CC1c3cnccc32 Amb27831543 [0,0,0,2,0,0|2,0,0]=4 9934 B14R3.608 NC1CC2CC1c3ccccc32 Amb27758681 [0,0,0,2,0,0|1,0,0]=3 9935 B14R3.608 NC1CC2OC1c3ccccc32 Amb27403109 [0,0,0,2,0,0|2,0,0]=4 9936 B14R3.608 N[C@@H]1C[C@@H]2O[C@H]1c3ccccc32 Amb27858253 [0,0,0,2,0,0|2,0,0]=4 9937 B14R3.608 N[C@H]1C[C@@H]2C[C@H]1c3ccccc32 Amb27845477 [0,0,0,2,0,0|1,0,0]=3 9938 B14R3.608 N[C@H]1C[C@H]2C[C@@H]1c3ccccc32 Amb27194680 [0,0,0,2,0,0|1,0,0]=3 9939 B14R3.608 O=C1CC2CC1c3ccccc32 Amb22356924 [0,0,0,2,0,0|0,0,2]=4 9940 B14R3.608 OC1C[C@@H]2C[C@H]1c3cnccc32 Amb27969137 [0,0,0,2,0,0|1,0,0]=3 9941 B14R3.608 O[C@@H]1C[C@@H]2C[C@H]1c3ccncc32 Amb27220232 [0,0,0,2,0,0|1,0,0]=3 9942 B14R3.608 O[C@@H]1C[C@H]2C[C@@H]1c3ccccc32 Amb28130386 [0,0,0,2,0,0|0,0,0]=2 9943 B14R3.608 O[C@H]1C[C@@H]2C[C@H]1c3ccccc32 Amb28422453 [0,0,0,2,0,0|0,0,0]=2 9944 B14R3.608 O[C@H]1C[C@@H]2C[C@H]1c3cnccc32 Amb27631931 [0,0,0,2,0,0|1,0,0]=3 9945 B14R3.608 O[C@H]1C[C@H]2C[C@H]1c3ccccc32 Amb27980611 [0,0,0,2,0,0|0,0,0]=2 9946 B14R3.630 O=C1C[C@H]2c3ccccc3C[C@@H]12 Amb27268023 [0,0,0,2,0,0|0,0,2]=4 9947 B14R3.919 O=C1CC2CCc3cccc1c32 Amb28460843 [0,0,0,2,0,0|0,0,2]=4 9948 B14R3.2531 c1ccc2c(c1)C3CNCC2C3 Amb21962658 [0,0,0,2,0,0|2,0,0]=4 9949 B14R3.2531 c1ccc2c(c1)C3CSCC2C3 Amb6359926 [0,0,0,2,0,0|2,0,0]=4 9950 B14R3.3059 c1ccc2c(c1)CCC23CCN3 Amb25718691 [0,0,0,2,0,0|1,0,0]=3 9951 B14R3.3059 c1ccc2c(c1)NCC23CCC3 Amb24077483 [0,0,0,2,0,0|2,0,0]=4 9952 B14R3.3059 c1ccc2c(c1)NCC23CCC3 Amb26511427 [0,0,0,2,0,0|2,0,0]=4 9953 B14R3.17744 NCC1C2Cc3ccccc3C12 Amb20668200 [0,0,0,2,0,0|1,0,0]=3 9954 B14R3.17744 NCC1C2Cc3ccccc3C12 Amb26450569 [0,0,0,2,0,0|1,0,0]=3 9955 B14R3.17744 O=CC1C2Cc3ccccc3C12 Amb25835683 [0,0,0,2,0,0|0,0,2]=4 9956 B14R3.17744 O=C[C@@H]1[C@H]2c3ccccc3C[C@@H]12 Amb28349322 [0,0,0,2,0,0|0,0,2]=4 9957 B14R3.17744 O=C[C@H]1[C@H]2c3ccccc3C[C@H]21 Amb27489078 [0,0,0,2,0,0|0,0,2]=4 9958 B14R3.17744 OCC1C2Cc3ccccc3C12 Amb27835151 [0,0,0,2,0,0|0,0,0]=2 9959 B14R3.17744 OC[C@@H]1[C@H]2c3ccccc3O[C@@H]12 Amb27422307 [0,0,0,2,0,0|1,0,0]=3 9960 B14R3.17744 OC[C@H]1[C@H]2c3ccccc3C[C@H]21 Amb27970843 [0,0,0,2,0,0|0,0,0]=2 9961 B14R3.44 c1ccc(C2NCC3CC32)cc1 Amb35826261 [0,0,0,2,0,0|1,0,0]=3 9962 B14R3.44 c1ccc(C2NCC3CC32)cc1 Amb7808795 [0,0,0,2,0,0|1,0,0]=3 9963 B14R3.44 c1ccc([C@H]2NC[C@H]3C[C@H]32)cc1 Amb28245851 [0,0,0,2,0,0|1,0,0]=3 9964 B14R3.2544 C1=CC2CCC1c3ccccc32 Amb27664399 [0,0,0,2,0,0|1,0,1]=4 9965 B14R3.2544 c1ccc2c(c1)C3CCC2NC3 Amb18126200 [0,0,0,2,0,0|1,0,0]=3 9966 B14R3.2544 c1ccc2c(c1)C3CCC2NC3 Amb32652269 [0,0,0,2,0,0|1,0,0]=3 9967 B14R3.2544 c1ccc2c(c1)C3CCN2CC3 Amb18136564 [0,0,0,2,0,0|2,0,0]=4 9968 B14R3.2544 c1ccc2c(c1)C3CC[NH+]2CC3 Amb2781604 [0,0,0,2,0,0|2,0,0]=4 9969 B14R3.2544 c1ccc2c(c1)[C@@H]3CC[C@@H]2NC3 Amb27780940 [0,0,0,2,0,0|1,0,0]=3 9970 B14R3.2544 c1ccc2c(c1)[C@@H]3CC[C@@H]2NC3 Amb28605547 [0,0,0,2,0,0|1,0,0]=3 9971 B14R3.2544 c1ccc2c(c1)[C@@H]3CC[C@H]2CN3 Amb35745805 [0,0,0,2,0,0|1,0,0]=3 9972 B14R3.2544 c1ccc2c(c1)[C@@H]3CC[C@H]2NC3 Amb32679580 [0,0,0,2,0,0|1,0,0]=3 9973 B14R3.2932 c1ccc(N2CC3CC3C2)cc1 Amb28246078 [0,0,0,2,0,0|2,0,0]=4 9974 B14R3.2933 c1ccc(C2N3CCCN23)cc1 Amb1045219 [0,0,0,2,0,0|2,0,0]=4 9975 B14R3.2936 c1ccc(C23CCCC2O3)cc1 Amb32659651 [0,0,0,2,0,0|0,0,0]=2 9976 B14R3.2936 c1ccc(C23CCCC2O3)nc1 Amb32659654 [0,0,0,2,0,0|1,0,0]=3 9977 B14R3.2936 c1ccc(C23CCCN2C3)cc1 Amb24117260 [0,0,0,2,0,0|2,0,0]=4 9978 B14R3.2936 c1ccc(C23CNCC2C3)cc1 Amb24112956 [0,0,0,2,0,0|2,0,0]=4 9979 B14R3.2936 c1ccc(C23CNCC2C3)cc1 Amb30584920 [0,0,0,2,0,0|2,0,0]=4 9980 B14R3.2936 c1ccc([C@]23CNC[C@H]2C3)cc1 Amb25288106 [0,0,0,2,0,0|2,0,0]=4 9981 B14R3.2936 c1ccc([C@]23CNC[C@H]2C3)cc1 Amb33484386 [0,0,0,2,0,0|2,0,0]=4 9982 B14R3.266 OC12CCCC1c3ccccc32 Amb17778684 [0,0,0,2,0,0|0,0,0]=2 9983 B14R3.406 NC1C2CCC1c3ccccc32 Amb27178279 [0,0,0,2,0,0|1,0,0]=3 9984 B14R3.406 NC1C2CC[C@H]1c3ccccc32 Amb27399752 [0,0,0,2,0,0|1,0,0]=3 9985 B14R3.406 N[C@@H]1[C@H]2CC[C@@H]1c3ccccc32 Amb28054809 [0,0,0,2,0,0|1,0,0]=3 9986 B14R3.406 O=C1C2CCC1c3ccccc32 Amb22357134 [0,0,0,2,0,0|0,0,2]=4 9987 B14R3.406 OC1C2C=CC1c3ccccc32 Amb28126040 [0,0,0,2,0,0|0,0,2]=4 9988 B14R3.406 O[C@@H]1[C@H]2C=C[C@@H]1c3ccccc32 Amb28061881 [0,0,0,2,0,0|0,0,2]=4 9989 B14R3.6343 ClC1C2CCc3ccccc3C12 Amb28422401 [0,0,0,2,0,0|1,0,0]=3 9990 B14R3.6343 NC1C2CCc3ccccc3C12 Amb20668269 [0,0,0,2,0,0|1,0,0]=3 9991 B14R3.6343 NC1C2CCc3ccccc3C12 Amb25072726 [0,0,0,2,0,0|1,0,0]=3 9992 B14R3.2941 c1ccc(C2CC2C3CO3)cc1 Amb27455081 [0,0,0,2,0,0|0,0,0]=2 9993 B14R3.2941 c1ccc([C@@H]2C[C@H]2[C@H]3CO3)cc1 Amb28384692 [0,0,0,2,0,0|0,0,0]=2 9994 B14R3.7809 OC1CC2OC2c3ccccc31 Amb27632818 [0,0,0,2,0,0|1,0,0]=3 9995 B14R3.455 OC1c2ccccc2SC3CC31 Amb27405314 [0,0,0,2,0,0|1,0,0]=3 9996 B14R3.52 c1ccc2c(c1)CCC3CNC23 Amb27231062 [0,0,0,2,0,0|2,0,0]=4 9997 B14R3.52 c1ccc2c(c1)NCC3CCC23 Amb28368163 [0,0,0,2,0,0|1,0,0]=3 9998 B14R3.459 CC1c2ccccc2C3NCC13 Amb27808979 [0,0,0,2,0,0|2,0,0]=4 9999 B14R3.14833 c1ccc(C2CCC23CO3)cc1 Amb33748324 [0,0,0,2,0,0|0,0,0]=2 10000 B14R3.48 c1ccc2c(c1)CC23CCNC3 Amb25200019 [0,0,0,2,0,0|2,0,0]=4 10001 B14R3.48 c1ccc2c(c1)CC23OCCO3 Amb17778801 [0,0,0,2,0,0|1,0,0]=3 10002 B14R3.55 c1cc2c(cn1)[C@@H]3CC[C@H](C2)N3 Amb28456662 [0,0,0,2,0,0|2,0,0]=4 10003 B14R3.55 c1cc2c(cn1)[C@H]3CC[C@@H](C2)N3 Amb28346259 [0,0,0,2,0,0|2,0,0]=4 10004 B14R3.55 c1ccc2c(c1)NC3CCC2O3 Amb27224966 [0,0,0,2,0,0|1,0,0]=3 10005 B14R3.3058 c1ccc2c(c1)CCCC23CO3 Amb18182524 [0,0,0,2,0,0|0,0,0]=2 10006 B14R3.3058 c1ccc2c(c1)CCNC23CC3 Amb25143953 [0,0,0,2,0,0|2,0,0]=4 10007 B14R3.3058 c1ccc2c(c1)CNCC23CC3 Amb22228275 [0,0,0,2,0,0|2,0,0]=4 10008 B14R3.3058 c1ccc2c(c1)CNCC23CC3 Amb30584956 [0,0,0,2,0,0|2,0,0]=4 10009 B14R3.3058 c1ccc2c(c1)NCCC23CC3 Amb27228853 [0,0,0,2,0,0|2,0,0]=4 10010 B14R3.3058 c1ccc2c(c1)NCCC23CC3 Amb32712141 [0,0,0,2,0,0|2,0,0]=4 10011 B14R3.3058 c1ccc2c(c1)OCCC23CO3 Amb18798096 [0,0,0,2,0,0|1,0,0]=3 10012 B14R3.3058 c1ccc2c(c1)SCCC23CO3 Amb33746421 [0,0,0,2,0,0|1,0,0]=3 10013 B14R3.3058 c1cnc2c(c1)C3(CCC2)CO3 Amb25851448 [0,0,0,2,0,0|1,0,0]=3 10014 B14R3.3058 c1cnc2c(c1)CCCC23CO3 Amb24648730 [0,0,0,2,0,0|1,0,0]=3 10015 B14R3.54 c1ccc2c(c1)CNC3CC2C3 Amb26371982 [0,0,0,2,0,0|2,0,0]=4 10016 B14R3.54 c1ccc2c(c1)CNC3CC2C3 Amb35747835 [0,0,0,2,0,0|2,0,0]=4 10017 B14R3.54 c1ccc2c(c1)NCC3CC2C3 Amb28186926 [0,0,0,2,0,0|2,0,0]=4 10018 B10R1.21 BrCCCCc1cccs1 Amb25085582 [1,0,0,0,1,0|2,0,0]=4 10019 B10R1.21 BrCCCCc1ccsc1 Amb26637227 [1,0,0,0,1,0|2,0,0]=4 10020 B10R1.21 BrCCCCn1cccc1 Amb28312928 [1,0,0,0,1,0|2,0,0]=4 10021 B10R1.21 CCCCCc1ccco1 Amb8393189 [1,0,0,0,1,0|1,0,0]=3 10022 B10R1.21 CCCCCc1cccs1 Amb2779226 [1,0,0,0,1,0|1,0,0]=3 10023 B10R1.21 CCCCCc1ccsc1 Amb20621787 [1,0,0,0,1,0|1,0,0]=3 10024 B10R1.21 CCCCCc1nccs1 Amb25297177 [1,0,0,0,1,0|2,0,0]=4 10025 B10R1.21 CCCCCn1ccnc1 Amb20247958 [1,0,0,0,1,0|2,0,0]=4 10026 B10R1.21 CCCCNc1cccs1 Amb28252106 [1,0,0,0,1,0|2,0,0]=4 10027 B10R1.21 CCCCNn1cccc1 Amb28344466 [1,0,0,0,1,0|2,0,0]=4 10028 B10R1.21 CCCNCc1ccco1 Amb1127967 [1,0,0,0,1,0|2,0,0]=4 10029 B10R1.21 CCCNCc1ccco1 Amb19890265 [1,0,0,0,1,0|2,0,0]=4 10030 B10R1.21 CCCNCc1cccs1 Amb19890386 [1,0,0,0,1,0|2,0,0]=4 10031 B10R1.21 CCCNCc1cccs1 Amb837811 [1,0,0,0,1,0|2,0,0]=4 10032 B10R1.21 CCCNCc1ccsc1 Amb5262474 [1,0,0,0,1,0|2,0,0]=4 10033 B10R1.21 CCCNCc1ccsc1 Amb6868338 [1,0,0,0,1,0|2,0,0]=4 10034 B10R1.21 CCCSCc1ccco1 Amb24430614 [1,0,0,0,1,0|2,0,0]=4 10035 B10R1.21 CCNCCc1cccs1 Amb6697855 [1,0,0,0,1,0|2,0,0]=4 10036 B10R1.21 CCSCCn1cccc1 Amb28457745 [1,0,0,0,1,0|2,0,0]=4 10037 B10R1.21 CNCCCc1ccco1 Amb534654 [1,0,0,0,1,0|2,0,0]=4 10038 B10R1.21 CNCCCc1cccs1 Amb17104498 [1,0,0,0,1,0|2,0,0]=4 10039 B10R1.21 CNCCCc1ccoc1 Amb27446253 [1,0,0,0,1,0|2,0,0]=4 10040 B10R1.21 CNCCCc1ccsc1 Amb19025786 [1,0,0,0,1,0|2,0,0]=4 10041 B10R1.21 CSCCCn1cccc1 Amb27877824 [1,0,0,0,1,0|2,0,0]=4 10042 B10R1.21 ClCCCCc1ccco1 Amb17138477 [1,0,0,0,1,0|2,0,0]=4 10043 B10R1.21 ClCCCCc1cccs1 Amb8860566 [1,0,0,0,1,0|2,0,0]=4 10044 B10R1.21 ClCCCCc1ccsc1 Amb26616509 [1,0,0,0,1,0|2,0,0]=4 10045 B10R1.21 NCCCCc1ccco1 Amb5735488 [1,0,0,0,1,0|2,0,0]=4 10046 B10R1.21 NCCCCc1cccs1 Amb5735489 [1,0,0,0,1,0|2,0,0]=4 10047 B10R1.21 NCCCCc1ccoc1 Amb33360360 [1,0,0,0,1,0|2,0,0]=4 10048 B10R1.21 NCCCCc1ccsc1 Amb25765310 [1,0,0,0,1,0|2,0,0]=4 10049 B10R1.21 NCCCCn1cccc1 Amb5744332 [1,0,0,0,1,0|2,0,0]=4 10050 B10R1.21 OCCCCc1ccco1 Amb17106038 [1,0,0,0,1,0|1,0,0]=3 10051 B10R1.21 OCCCCc1cccs1 Amb9004304 [1,0,0,0,1,0|1,0,0]=3 10052 B10R1.21 OCCCCc1ccns1 Amb32950507 [1,0,0,0,1,0|2,0,0]=4 10053 B10R1.21 OCCCCc1ccsc1 Amb27475708 [1,0,0,0,1,0|1,0,0]=3 10054 B10R1.21 OCCCCc1cncs1 Amb27424864 [1,0,0,0,1,0|2,0,0]=4 10055 B10R1.21 OCCCCc1nccs1 Amb26935669 [1,0,0,0,1,0|2,0,0]=4 10056 B10R1.21 OCCCCn1cccn1 Amb9370425 [1,0,0,0,1,0|2,0,0]=4 10057 B10R1.21 OCCCCn1ccnc1 Amb33531605 [1,0,0,0,1,0|2,0,0]=4 10058 B10R1.21 OCCCSc1ccco1 Amb28065299 [1,0,0,0,1,0|2,0,0]=4 10059 B10R1.21 OCCNCc1ccco1 Amb2592326 [1,0,0,0,1,0|2,0,0]=4 10060 B10R1.21 OCCNCc1cccs1 Amb838310 [1,0,0,0,1,0|2,0,0]=4 10061 B10R1.21 OCCNCc1ccsc1 Amb13951827 [1,0,0,0,1,0|2,0,0]=4 10062 B10R1.21 OCCNCc1ccsc1 Amb2592470 [1,0,0,0,1,0|2,0,0]=4 10063 B10R1.21 OCCSCc1ccsc1 Amb9511217 [1,0,0,0,1,0|2,0,0]=4 10064 B10R1.21 ONCCCc1ccsc1 Amb33322412 [1,0,0,0,1,0|2,0,0]=4 10065 B10R1.21 SCCCCc1ccco1 Amb18563472 [1,0,0,0,1,0|1,1,0]=4 10066 B10R1.21 SCCCCc1cccs1 Amb17400373 [1,0,0,0,1,0|1,1,0]=4 10067 B10R1.21 SCCCCc1ccsc1 Amb33320211 [1,0,0,0,1,0|1,1,0]=4