0 B18R2.7189 CC(CNCc1ccccc1)c2ccccc2 Amb6651189 [0,0,0,0,0,0|3,0,1]=4 1 B18R2.7189 CC(NCCc1ccccc1)c2ccccc2 Amb2612168 [0,0,0,0,0,0|2,0,1]=3 2 B18R2.7189 NC(CCCc1ccccc1)c2ccccc2 Amb2371345 [0,0,0,0,0,0|2,0,1]=3 3 B18R2.7189 NC(CCCc1ccccc1)c2ccccc2 Amb270381 [0,0,0,0,0,0|2,0,1]=3 4 B18R2.7189 NC(CCSc1ccccc1)c2ccccc2 Amb29847198 [0,0,0,0,0,0|3,0,1]=4 5 B18R2.7189 NC(CNCc1ccccc1)c2ccccc2 Amb27451476 [0,0,0,0,0,0|3,0,1]=4 6 B18R2.7189 NC(COCc1ccccc1)c2ccccc2 Amb1126312 [0,0,0,0,0,0|3,0,1]=4 7 B18R2.7189 NC(COCc1ccccc1)c2ccccc2 Amb19374866 [0,0,0,0,0,0|3,0,1]=4 8 B18R2.7189 N\C(=N/OCc1ccccc1)c2ccccc2 Amb11212592 [0,0,0,0,0,0|3,0,0]=3 9 B18R2.7189 O=C(CCCc1ccccc1)c2ccccc2 Amb1548163 [0,0,0,0,0,0|1,0,0]=1 10 B18R2.7189 O=C(CCSc1ccccc1)c2ccccc2 Amb21984386 [0,0,0,0,0,0|2,0,0]=2 11 B18R2.7189 O=C(CCSc1ccccn1)c2ccccc2 Amb2413493 [0,0,0,0,0,0|3,0,0]=3 12 B18R2.7189 O=C(CCSc1ncccn1)c2ccccc2 Amb21984398 [0,0,0,0,0,0|4,0,0]=4 13 B18R2.7189 O=C(COCc1ccccc1)c2cnccn2 Amb28386192 [0,0,0,0,0,0|4,0,0]=4 14 B18R2.7189 O=C(NCCc1ccccc1)c2ccccc2 Amb6481313 [0,0,0,0,0,0|1,0,0]=1 15 B18R2.7189 O=C(NCCc1ccccc1)c2cnccn2 Amb6493956 [0,0,0,0,0,0|3,0,0]=3 16 B18R2.7189 O=C(NCCc1ccccn1)c2ccccc2 Amb6285818 [0,0,0,0,0,0|2,0,0]=2 17 B18R2.7189 O=C(NCCc1ccncc1)c2ccncc2 Amb22234540 [0,0,0,0,0,0|3,0,0]=3 18 B18R2.7189 O=C(NNCc1ccccc1)c2ccccn2 Amb27387678 [0,0,0,0,0,0|3,0,0]=3 19 B18R2.7189 O=C(NOCc1ccccc1)c2cccnc2 Amb13970072 [0,0,0,0,0,0|3,0,0]=3 20 B18R2.7189 O=C(N\N=C\c1ccccc1)c2cccnc2 Amb6318060 [0,0,0,0,0,0|3,0,1]=4 21 B18R2.7189 O=C(N\N=C\c1ccccc1)c2ccncc2 Amb6318059 [0,0,0,0,0,0|3,0,1]=4 22 B18R2.7189 O=C(N\N=C\c1cccnc1)c2ccccc2 Amb6334947 [0,0,0,0,0,0|3,0,1]=4 23 B18R2.7189 O=C(N\N=C\c1ccncc1)c2ccccc2 Amb6317326 [0,0,0,0,0,0|3,0,1]=4 24 B18R2.7189 O=C(OCCc1ccccc1)c2ccccc2 Amb4016539 [0,0,0,0,0,0|0,0,0]=0 25 B18R2.7189 O=C(OCCc1ccccc1)c2cccnc2 Amb24081249 [0,0,0,0,0,0|1,0,0]=1 26 B18R2.7189 O=C(\C=C/Nc1ccccc1)c2ccccc2 Amb2386622 [0,0,0,0,0,0|2,0,1]=3 27 B18R2.7189 O=C(\C=C\Nc1ccccc1)c2ccccc2 Amb8570017 [0,0,0,0,0,0|2,0,1]=3 28 B18R2.7189 O=C(\C=C\Sc1ccccc1)c2ccccc2 Amb10817360 [0,0,0,0,0,0|2,0,1]=3 29 B18R2.7189 OC(CCCc1ccccc1)c2ccccc2 Amb2385846 [0,0,0,0,0,0|1,0,2]=3 30 B18R2.7189 OC(CCSc1ccccc1)c2ccccc2 Amb21984422 [0,0,0,0,0,0|2,0,2]=4 31 B18R2.7189 OC(CNCc1ccccc1)c2ccccc2 Amb2726787 [0,0,0,0,0,0|2,0,2]=4 32 B18R2.7189 O[C@H](CNCc1ccccc1)c2ccccc2 Amb6356900 [0,0,0,0,0,0|2,0,2]=4 33 B17R2.2382 C(=C\c1ccccc1)/CNc2ccccn2 Amb17100159 [1,0,0,0,0,0|3,0,0]=4 34 B17R2.2382 C(=N\N=C\c1ccccc1)/c2ccccc2 Amb1419561 [1,0,0,0,0,0|2,0,1]=4 35 B17R2.2382 C(=N\OCc1ccccc1)/c2cccnc2 Amb24072697 [1,0,0,0,0,0|3,0,0]=4 36 B17R2.2382 C(\C=C\c1ccccc1)=C/c2ccccc2 Amb2458220 [1,0,0,0,0,0|1,0,2]=4 37 B17R2.2382 c1ccc(CCCNc2ccccc2)cc1 Amb4313446 [1,0,0,0,0,0|2,0,0]=3 38 B17R2.2382 c1ccc(CCCSc2ccccc2)cc1 Amb4010759 [1,0,0,0,0,0|2,0,0]=3 39 B17R2.2382 c1ccc(CCNCc2ccccc2)cc1 Amb1049050 [1,0,0,0,0,0|1,0,1]=3 40 B17R2.2382 c1ccc(CCNCc2ccccc2)cc1 Amb33439 [1,0,0,0,0,0|1,0,1]=3 41 B17R2.2382 c1ccc(CCNCc2ccccn2)cc1 Amb22279533 [1,0,0,0,0,0|2,0,1]=4 42 B17R2.2382 c1ccc(CCNCc2ccccn2)cc1 Amb838410 [1,0,0,0,0,0|2,0,1]=4 43 B17R2.2382 c1ccc(CCNCc2cccnc2)cc1 Amb15740914 [1,0,0,0,0,0|2,0,1]=4 44 B17R2.2382 c1ccc(CCNCc2cccnc2)cc1 Amb33527540 [1,0,0,0,0,0|2,0,1]=4 45 B17R2.2382 c1ccc(CCNCc2ccncc2)cc1 Amb838157 [1,0,0,0,0,0|2,0,1]=4 46 B17R2.2382 c1ccc(CNCCc2ccccn2)cc1 Amb1397745 [1,0,0,0,0,0|2,0,1]=4 47 B17R2.2382 c1ccc(CNCCc2cccnc2)cc1 Amb27947338 [1,0,0,0,0,0|2,0,1]=4 48 B17R2.2382 c1ccc(CNCCc2ccncc2)cc1 Amb2592523 [1,0,0,0,0,0|2,0,1]=4 49 B17R2.2382 c1ccc(CNOCc2ccccc2)cc1 Amb27611604 [1,0,0,0,0,0|1,0,1]=3 50 B17R2.2382 c1ccc(CONCc2cccnc2)cc1 Amb28042688 [1,0,0,0,0,0|2,0,1]=4 51 B17R2.2382 c1ccc(CONCc2ccncc2)cc1 Amb28249603 [1,0,0,0,0,0|2,0,1]=4 52 B17R2.2382 c1ccc(CSSCc2ccccc2)cc1 Amb3978810 [1,0,0,0,0,0|1,1,1]=4 53 B17R2.2382 c1ccc(C[Se][Se]Cc2ccccc2)cc1 Amb8515143 [1,0,0,0,0,0|1,1,1]=4 54 B17R2.2382 c1ccc(NCCNc2ccccc2)cc1 Amb2720079 [1,0,0,0,0,0|3,0,0]=4 55 B17R2.2382 c1ccc(OCCOc2ccccc2)cc1 Amb6356501 [1,0,0,0,0,0|3,0,0]=4 56 B17R2.2382 c1ccc(SCCSc2ccccc2)cc1 Amb2684781 [1,0,0,0,0,0|3,0,0]=4 57 B19R2.2116 N#CC(NCCc1ccccc1)c2ccccc2 Amb17043573 [0,1,0,0,0,0|2,0,1]=4 58 B19R2.2116 N#CC(NCCc1ccccc1)c2ccccc2 Amb22736570 [0,1,0,0,0,0|2,0,1]=4 59 B19R2.4201 Nc1ccc(C(=O)CNCc2ccccc2)cc1 Amb18550897 [0,1,0,0,0,0|2,0,0]=3 60 B19R2.4201 Nc1ccc(C(=O)CNCc2ccccn2)cc1 Amb18550909 [0,1,0,0,0,0|3,0,0]=4 61 B19R2.4201 Nc1ccc(C(=O)CNCc2cccnc2)cc1 Amb18550908 [0,1,0,0,0,0|3,0,0]=4 62 B19R2.4201 Nc1ccc(C(=O)CNCc2ccncc2)cc1 Amb18550907 [0,1,0,0,0,0|3,0,0]=4 63 B19R2.4201 Nc1ccc(C(=O)NCCc2ccccc2)cc1 Amb32582540 [0,1,0,0,0,0|1,0,0]=2 64 B19R2.4201 Nc1ccc(C(=O)NCCc2ccccc2)cc1 Amb6350710 [0,1,0,0,0,0|1,0,0]=2 65 B19R2.4201 Nc1ccc(C(=O)OCCc2ccccc2)cc1 Amb10565274 [0,1,0,0,0,0|0,0,0]=1 66 B19R2.4201 O=C(CCCc1ccccc1)c2ccc(Br)cc2 Amb13891835 [0,1,0,0,0,0|1,0,0]=2 67 B19R2.4201 O=C(CCCc1ccccc1)c2ccc(F)cc2 Amb28557753 [0,1,0,0,0,0|1,0,0]=2 68 B19R2.4201 O=C(CCOc1ccccc1)c2ccc(F)cc2 Amb9659930 [0,1,0,0,0,0|2,0,0]=3 69 B19R2.4201 O=C(CCSc1ccccc1)c2ccc(F)cc2 Amb9660313 [0,1,0,0,0,0|2,0,0]=3 70 B19R2.4201 O=C(CCSc1ccccn1)c2ccc(F)cc2 Amb9660373 [0,1,0,0,0,0|3,0,0]=4 71 B19R2.4201 O=C(COCc1ccccc1)c2ccc(F)cc2 Amb22059046 [0,1,0,0,0,0|2,0,0]=3 72 B19R2.4201 O=C(NCCc1ccccc1)c2ccc(Cl)nc2 Amb6243004 [0,1,0,0,0,0|2,0,0]=3 73 B19R2.4201 O=C(NCCc1ccccc1)c2ccc(F)cc2 Amb6573933 [0,1,0,0,0,0|1,0,0]=2 74 B19R2.4201 O=C(NCCc1ccccc1)c2ccc(O)cc2 Amb1234468 [0,1,0,0,0,0|1,0,0]=2 75 B19R2.4201 O=C(NCCc1cccnc1)c2ccc(O)nc2 Amb7884061 [0,1,0,0,0,0|3,0,0]=4 76 B19R2.4201 O=C(NCCc1ccncc1)c2ccc(Br)cc2 Amb8622502 [0,1,0,0,0,0|2,0,0]=3 77 B19R2.4201 O=C(NOCc1ccccc1)c2ccc(Br)cn2 Amb27492214 [0,1,0,0,0,0|3,0,0]=4 78 B19R2.4201 O=C(NOCc1ccccc1)c2ccc(Br)nc2 Amb27271019 [0,1,0,0,0,0|3,0,0]=4 79 B19R2.4201 O=C(NOCc1ccccc1)c2ccc(Cl)cn2 Amb27491733 [0,1,0,0,0,0|3,0,0]=4 80 B19R2.4201 O=C(NOCc1ccccc1)c2ccc(Cl)nc2 Amb15742564 [0,1,0,0,0,0|3,0,0]=4 81 B19R2.4201 O=C(NOCc1ccccc1)c2ccc(F)cn2 Amb27672845 [0,1,0,0,0,0|3,0,0]=4 82 B19R2.4201 O=C(NOCc1ccccc1)c2ccc(F)nc2 Amb27269482 [0,1,0,0,0,0|3,0,0]=4 83 B19R2.4201 O=C(NOCc1ccccc1)c2ccc(O)cc2 Amb27491882 [0,1,0,0,0,0|2,0,0]=3 84 B19R2.4201 O=C(OCCc1ccccc1)c2ccc(O)cc2 Amb2104053 [0,1,0,0,0,0|0,0,0]=1 85 B19R2.4369 CC(NCCc1cccc(N)c1)c2ccccc2 Amb18550404 [0,1,0,0,0,0|2,0,1]=4 86 B19R2.4369 O=C(NCCc1cccc(F)c1)c2cnccn2 Amb15942932 [0,1,0,0,0,0|3,0,0]=4 87 B19R2.4394 C\C(=N\OCc1ccccc1)c2cccc(N)c2 Amb28080458 [0,1,0,0,0,0|3,0,0]=4 88 B19R2.4394 Cc1cccc(C(=O)NOCc2ccccc2)n1 Amb13997825 [0,1,0,0,0,0|3,0,0]=4 89 B19R2.4394 Nc1cccc(C(=O)CNCc2ccccc2)c1 Amb18550942 [0,1,0,0,0,0|2,0,0]=3 90 B19R2.4394 Nc1cccc(C(=O)CNCc2ccccn2)c1 Amb18051522 [0,1,0,0,0,0|3,0,0]=4 91 B19R2.4394 Nc1cccc(C(=O)CNCc2cccnc2)c1 Amb18550953 [0,1,0,0,0,0|3,0,0]=4 92 B19R2.4394 Nc1cccc(C(=O)CNCc2ccncc2)c1 Amb18550952 [0,1,0,0,0,0|3,0,0]=4 93 B19R2.4394 Nc1cccc(C(=O)NCCc2ccccc2)c1 Amb1135080 [0,1,0,0,0,0|1,0,0]=2 94 B19R2.4394 Nc1cccc(C(=O)NCCc2ccccc2)c1 Amb15740853 [0,1,0,0,0,0|1,0,0]=2 95 B19R2.4394 Nc1cccc(C(=O)OCCc2ccccc2)c1 Amb17307680 [0,1,0,0,0,0|0,0,0]=1 96 B19R2.4394 O=C(NCCc1ccccc1)c2cccc(Br)c2 Amb1850853 [0,1,0,0,0,0|1,0,0]=2 97 B19R2.4394 O=C(NOCc1ccccc1)c2cc(Cl)ccn2 Amb19339954 [0,1,0,0,0,0|3,0,0]=4 98 B19R2.4394 O=C(NOCc1ccccc1)c2cccc(Br)c2 Amb10496522 [0,1,0,0,0,0|2,0,0]=3 99 B19R2.4394 O=C(NOCc1ccccc1)c2cccc(Br)n2 Amb28078307 [0,1,0,0,0,0|3,0,0]=4 100 B19R2.4394 O=C(NOCc1ccccc1)c2cccc(Cl)n2 Amb28386862 [0,1,0,0,0,0|3,0,0]=4 101 B19R2.4394 O=C(NOCc1ccccc1)c2cccc(F)n2 Amb27986722 [0,1,0,0,0,0|3,0,0]=4 102 B19R2.4394 O=C(NOCc1ccccc1)c2cccc(O)c2 Amb27492072 [0,1,0,0,0,0|2,0,0]=3 103 B19R2.4394 O=C(NOCc1ccccc1)c2ccnc(F)c2 Amb27268353 [0,1,0,0,0,0|3,0,0]=4 104 B19R2.4394 O=C(NOCc1ccccc1)c2cncc(Br)c2 Amb10496529 [0,1,0,0,0,0|3,0,0]=4 105 B19R2.4394 O=C(NOCc1ccccc1)c2cncc(F)c2 Amb27669891 [0,1,0,0,0,0|3,0,0]=4 106 B19R2.4394 O=C(OCCc1ccccc1)c2cccc(O)c2 Amb2140603 [0,1,0,0,0,0|0,0,0]=1 107 B19R2.4481 O=C(NCCc1ccccc1F)c2cnccn2 Amb5977299 [0,1,0,0,0,0|3,0,0]=4 108 B19R2.4481 O=C(N\N=C\c1ccccc1O)c2ccccc2 Amb1625723 [0,1,0,0,0,0|2,0,1]=4 109 B19R2.5666 Cc1ncccc1C(=O)NOCc2ccccc2 Amb27670751 [0,1,0,0,0,0|3,0,0]=4 110 B19R2.5666 Nc1ccccc1C(=O)NCCc2ccccc2 Amb6315842 [0,1,0,0,0,0|1,0,0]=2 111 B19R2.5666 Nc1ccccc1C(=O)NCCc2ccccn2 Amb1110319 [0,1,0,0,0,0|2,0,0]=3 112 B19R2.5666 Nc1ccccc1C(=O)OCCc2ccccc2 Amb17307696 [0,1,0,0,0,0|0,0,0]=1 113 B19R2.5666 Nc1cccnc1C(=O)NOCc2ccccc2 Amb27492502 [0,1,0,0,0,0|3,0,0]=4 114 B19R2.5666 Nc1nccnc1C(=O)NCCc2ccccc2 Amb16093237 [0,1,0,0,0,0|3,0,0]=4 115 B19R2.5666 O=C(NCCc1ccccc1)c2ccccc2Cl Amb6337966 [0,1,0,0,0,0|1,0,0]=2 116 B19R2.5666 O=C(NCCc1ccccc1)c2cccnc2Cl Amb6247964 [0,1,0,0,0,0|2,0,0]=3 117 B19R2.5666 O=C(NCCc1ccccc1)c2cccnc2O Amb8231951 [0,1,0,0,0,0|2,0,0]=3 118 B19R2.5666 O=C(NCCc1ccccn1)c2cccnc2O Amb7853866 [0,1,0,0,0,0|3,0,0]=4 119 B19R2.5666 O=C(NCCc1cccnc1)c2cccnc2O Amb19427388 [0,1,0,0,0,0|3,0,0]=4 120 B19R2.5666 O=C(NOCc1ccccc1)c2ccccc2I Amb10496525 [0,1,0,0,0,0|2,0,0]=3 121 B19R2.5666 O=C(NOCc1ccccc1)c2cccnc2Cl Amb27268348 [0,1,0,0,0,0|3,0,0]=4 122 B19R2.5666 O=C(NOCc1ccccc1)c2cccnc2F Amb28078312 [0,1,0,0,0,0|3,0,0]=4 123 B19R2.5666 O=C(NOCc1ccccc1)c2ccncc2Cl Amb27271018 [0,1,0,0,0,0|3,0,0]=4 124 B19R2.5666 O=C(NOCc1ccccc1)c2ncccc2O Amb27492070 [0,1,0,0,0,0|3,0,0]=4 125 B19R2.5666 O=C(OCCc1ccccc1)c2ccccc2O Amb2131090 [0,1,0,0,0,0|0,0,0]=1 126 B19R2.5666 O=C1C=CNC=C1C(=O)NOCc2ccccc2 Amb27271481 [0,1,0,0,0,0|3,0,0]=4 127 B19R2.8898 CC(CNC(=O)c1ccccc1)c2ccccc2 Amb3987510 [0,1,0,0,0,0|1,0,0]=2 128 B19R2.8898 CC(CNC(C)c1ccccc1)c2ccccc2 Amb6651920 [0,1,0,0,0,0|2,0,1]=4 129 B19R2.8898 NC(CCC(N)c1ccccc1)c2ccccc2 Amb23560198 [0,1,0,0,0,0|2,0,1]=4 130 B19R2.8898 O=C(C#CC(=O)c1ccccc1)c2ccccc2 Amb17693195 [0,1,0,0,0,0|1,0,2]=4 131 B19R2.8898 O=C(CCC(=O)c1ccccc1)c2ccccc2 Amb2721019 [0,1,0,0,0,0|1,0,1]=3 132 B19R2.8898 O=C(CNC(=O)c1ccccc1)c2ccccc2 Amb4036422 [0,1,0,0,0,0|1,0,1]=3 133 B19R2.8898 O=C(CNC(=O)c1cccnc1)c2ccccc2 Amb17348389 [0,1,0,0,0,0|2,0,1]=4 134 B19R2.8898 O=C(COC(=O)c1ccccc1)c2ccccc2 Amb6870368 [0,1,0,0,0,0|0,0,1]=2 135 B19R2.8898 O=C(NCC(O)c1ccccc1)c2ccccc2 Amb2742410 [0,1,0,0,0,0|1,0,0]=2 136 B19R2.8898 O=C(NCC(O)c1ccccc1)c2cccnc2 Amb9244853 [0,1,0,0,0,0|2,0,0]=3 137 B19R2.8898 O=C(OOC(=O)c1ccccc1)c2ccccc2 Amb6608894 [0,1,0,0,0,0|1,0,1]=3 138 B19R2.8898 O=C(\C=C\C(=O)c1ccccc1)c2ccccc2 Amb1196058 [0,1,0,0,0,0|1,0,2]=4 139 B19R2.8898 O=C(\N=N\C(=O)c1ccccc1)c2ccccc2 Amb6468033 [0,1,0,0,0,0|2,0,1]=4 140 B19R2.8929 C\C(CC(=O)c1ccccc1)=N/c2ccccc2 Amb4137825 [0,1,0,0,0,0|2,0,1]=4 141 B19R2.8929 O=C(CC(=O)c1ccccc1)Nc2ccccc2 Amb1208568 [0,1,0,0,0,0|2,0,1]=4 142 B19R2.8929 O=C(NC(=S)Nc1ccccc1)c2ccccc2 Amb2458901 [0,1,0,0,0,0|2,0,1]=4 143 B19R2.11850 CC(NCCc1ccc(N)cc1)c2ccccc2 Amb18050953 [0,1,0,0,0,0|2,0,1]=4 144 B19R2.11850 Cc1ccc(N\C=C\C(=O)c2ccccc2)cc1 Amb1852400 [0,1,0,0,0,0|2,0,1]=4 145 B19R2.11850 Nc1ccc(CCNC(=O)c2ccccc2)cc1 Amb17158943 [0,1,0,0,0,0|1,0,0]=2 146 B19R2.11850 Nc1ccc(CCNC(=O)c2cccnc2)cc1 Amb17159083 [0,1,0,0,0,0|2,0,0]=3 147 B19R2.11850 Nc1ccc(CSCC(=O)c2ccccc2)cc1 Amb17498651 [0,1,0,0,0,0|2,0,0]=3 148 B19R2.11850 O=C(CCCc1ccc(Br)cc1)c2ccccc2 Amb17297780 [0,1,0,0,0,0|1,0,0]=2 149 B19R2.11850 O=C(NCCc1ccc(O)cc1)c2cccnc2 Amb1966638 [0,1,0,0,0,0|2,0,0]=3 150 B19R2.11850 O=C(N\N=C\c1ccc(O)cc1)c2ccccc2 Amb1263433 [0,1,0,0,0,0|2,0,1]=4 151 B19R2.11850 O=C(\C=C/Nc1ccc(Br)cc1)c2ccccc2 Amb2386619 [0,1,0,0,0,0|2,0,1]=4 152 B19R2.11850 O=C(\C=C/Nc1ccc(Cl)cc1)c2ccccc2 Amb2386623 [0,1,0,0,0,0|2,0,1]=4 153 B19R2.11850 O=C(\C=C\Nc1ccc(Br)cc1)c2ccccc2 Amb2386626 [0,1,0,0,0,0|2,0,1]=4 154 B19R2.11850 O=C(\C=C\Nc1ccc(Cl)cc1)c2ccccc2 Amb2386625 [0,1,0,0,0,0|2,0,1]=4 155 B19R2.11850 O=C(\C=C\Nc1ccc(F)cc1)c2ccccc2 Amb2386627 [0,1,0,0,0,0|2,0,1]=4 156 B19R2.16158 C=C(C(=O)NCc1ccccc1)c2ccccc2 Amb27674427 [0,1,0,0,0,0|3,0,0]=4 157 B19R2.16158 C\C(=C\Nc1ccccc1)C(=O)c2ccccc2 Amb2386657 [0,1,0,0,0,0|2,0,1]=4 158 B19R2.16158 O=C(NCc1ccccc1)C(=O)c2ccccc2 Amb17348041 [0,1,0,0,0,0|2,0,0]=3 159 B19R2.16158 O=C(NCc1ccccn1)C(=O)c2ccccc2 Amb17348417 [0,1,0,0,0,0|3,0,0]=4 160 B19R2.16158 O=C(NCc1cccnc1)C(=O)c2ccccc2 Amb17348418 [0,1,0,0,0,0|3,0,0]=4 161 B19R2.16158 O=C(NCc1ccncc1)C(=O)c2ccccc2 Amb17348419 [0,1,0,0,0,0|3,0,0]=4 162 B19R2.49526 CC(O)(CCCc1ccccc1)c2ccccc2 Amb17778026 [0,1,0,0,0,0|1,0,2]=4 163 B19R2.49526 O=S(=O)(NCCc1ccccc1)c2ccccc2 Amb6339804 [0,1,0,0,0,0|2,0,0]=3 164 B19R3.27 C1=C(c2ccccc2)CNC1c3ccccc3 Amb17596039 [0,0,0,1,0,0|3,0,0]=4 165 B19R3.27 C1=C(c2ccccc2)N=NC1c3ccccc3 Amb21952772 [0,0,0,1,0,0|3,0,0]=4 166 B19R3.27 C1=C(c2ccccc2)NCC1c3ccccc3 Amb17843498 [0,0,0,1,0,0|2,0,0]=3 167 B19R3.27 C1=C(c2ccccc2)NCC1c3ccccc3 Amb17843499 [0,0,0,1,0,0|2,0,0]=3 168 B19R3.27 c1ccc(-c2cc(-c3ccccc3)on2)cc1 Amb1145156 [0,0,0,1,0,0|2,0,1]=4 169 B19R3.27 c1ccc(-c2noc(-c3ccccc3)n2)cc1 Amb1042936 [0,0,0,1,0,0|2,0,1]=4 170 B19R3.27 c1ccc(C2=NCC(c3ccccc3)C2)cc1 Amb17843497 [0,0,0,1,0,0|2,0,0]=3 171 B19R3.27 c1ccc(C2=NN(c3ccccc3)CC2)cc1 Amb6317782 [0,0,0,1,0,0|3,0,0]=4 172 B19R3.27 c1ccc(C2=NNC(c3ccccc3)C2)cc1 Amb2264581 [0,0,0,1,0,0|3,0,0]=4 173 B19R3.27 c1ccc(C2=NOC(c3ccccc3)C2)cc1 Amb2732744 [0,0,0,1,0,0|3,0,0]=4 174 B19R3.27 c1ccc(C2CCN(c3ccccc3)C2)cc1 Amb24117005 [0,0,0,1,0,0|3,0,0]=4 175 B19R3.27 c1ccc(C2C[NH2+]C(c3ccccc3)C2)cc1 Amb17843502 [0,0,0,1,0,0|2,0,1]=4 176 B19R3.27 c1ccc(C2C[NH2+]C(c3ccccc3)C2)cc1 Amb17843503 [0,0,0,1,0,0|2,0,1]=4 177 B19R3.27 c1ccc([C@H]2COC(c3ccccn3)=N2)cc1 Amb33854543 [0,0,0,1,0,0|2,0,0]=3 178 B19R3.2487 O=C(c1ccccc1)N2CCc3ccccc32 Amb6344321 [0,0,0,1,0,0|1,0,0]=2 179 B19R3.2487 O=C(c1ccccc1)c2coc3ccccc23 Amb10808758 [0,0,0,1,0,0|2,0,1]=4 180 B19R3.2487 O=C(c1ccccc1)n2ccc3ccccc32 Amb534592 [0,0,0,1,0,0|1,0,2]=4 181 B19R3.2487 O=C(c1ccncc1)N2CCc3ccccc32 Amb3357051 [0,0,0,1,0,0|2,0,0]=3 182 B19R3.9008 O=C1CCC(c2ccccc2)c3ccccc31 Amb9784882 [0,0,0,1,0,0|1,0,0]=2 183 B19R3.9008 O=C1CCN(c2ccccc2)c3ccccc31 Amb5719547 [0,0,0,1,0,0|2,0,0]=3 184 B19R3.9008 O=C1NN=C(c2ccccc2)c3ccccc31 Amb19386826 [0,0,0,1,0,0|2,0,1]=4 185 B19R3.9008 O=C1ON=C(c2ccccc2)c3ccccc31 Amb19651648 [0,0,0,1,0,0|1,0,1]=3 186 B19R3.17443 Brc1nn(Cc2ccccc2)c3ccccc13 Amb22755965 [0,0,0,1,0,0|3,0,0]=4 187 B19R3.17443 Clc1nn(Cc2ccccc2)c3ccccc13 Amb25921317 [0,0,0,1,0,0|3,0,0]=4 188 B19R3.17443 Ic1nn(Cc2ccccc2)c3ccccc13 Amb28400872 [0,0,0,1,0,0|3,0,0]=4 189 B19R3.17443 Nc1cn(Cc2ccccc2)c3ccccc13 Amb19929663 [0,0,0,1,0,0|3,0,0]=4 190 B19R3.17443 Nc1cn(Cc2ccccc2)c3ccccc13 Amb26943187 [0,0,0,1,0,0|3,0,0]=4 191 B19R3.17443 Nc1nn(Cc2ccccc2)c3ccccc13 Amb4414507 [0,0,0,1,0,0|3,0,0]=4 192 B19R3.17443 O=C1NN(Cc2ccccc2)c3ccccc31 Amb19130741 [0,0,0,1,0,0|2,0,0]=3 193 B19R3.17443 O=C1N\C(=C/c2ccccc2)c3ccccc31 Amb4466370 [0,0,0,1,0,0|1,0,2]=4 194 B19R3.17443 O=C1OC(Sc2ccccc2)c3ccccc31 Amb21948307 [0,0,0,1,0,0|1,0,0]=2 195 B19R3.17443 O=C1O\C(=C/c2ccccc2)c3ccccc31 Amb28524857 [0,0,0,1,0,0|0,0,2]=3 196 B19R3.17443 O=C1O\C(=C\c2ccccc2)c3ccccc31 Amb534942 [0,0,0,1,0,0|0,0,2]=3 197 B19R3.17443 Oc1nn(Cc2ccccc2)c3ccccc13 Amb2684063 [0,0,0,1,0,0|2,0,1]=4 198 B19R3.19286 c1ccc(C2=Nc3ccccc3NCC2)cc1 Amb10070111 [0,0,0,1,0,0|3,0,0]=4 199 B19R3.22113 NC(c1ccccc1)C2CC2c3ccccc3 Amb33299431 [0,0,0,1,0,0|2,0,1]=4 200 B19R3.22113 NC(c1ccccc1)C2CC2c3ccccc3 Amb33299432 [0,0,0,1,0,0|2,0,1]=4 201 B19R3.22113 O=C(c1ccccc1)C2CC2c3ccccc3 Amb5737733 [0,0,0,1,0,0|1,0,0]=2 202 B19R3.22113 O=C(c1ccccc1)C2N=C2c3ccccc3 Amb17596025 [0,0,0,1,0,0|2,0,1]=4 203 B19R3.22113 O=C(c1ccccc1)C2NC2c3ccccc3 Amb6567577 [0,0,0,1,0,0|2,0,0]=3 204 B19R3.22113 O=C(c1ccccc1)C2OC2c3ccccc3 Amb1395275 [0,0,0,1,0,0|2,0,0]=3 205 B19R3.22113 O=C(c1ccccc1)[C@@H]2O[C@H]2c3ccccc3 Amb32667069 [0,0,0,1,0,0|2,0,0]=3 206 B19R3.202197 O=C(NC1Cc2ccccc21)c3ccccc3 Amb17844043 [0,0,0,1,0,0|1,0,0]=2 207 B19R3.202197 O=C(\C=C1/Cc2ccccc21)c3ccccc3 Amb21948331 [0,0,0,1,0,0|1,0,1]=3 208 B19R3.202197 O=C(\C=C1\Cc2ccccc21)c3ccccc3 Amb21948329 [0,0,0,1,0,0|1,0,1]=3 209 B17R2.2342 Br\C(=N/Nc1ccccc1)c2ccccc2 Amb10563287 [0,0,0,0,1,0|3,0,0]=4 210 B17R2.2342 CC(CCc1ccccc1)c2ccccc2 Amb23437762 [0,0,0,0,1,0|1,0,1]=3 211 B17R2.2342 CC(NCc1ccccc1)c2ccccc2 Amb21959684 [0,0,0,0,1,0|2,0,1]=4 212 B17R2.2342 CC(NCc1ccccc1)c2ccccc2 Amb9743575 [0,0,0,0,1,0|2,0,1]=4 213 B17R2.2342 CC(OCc1ccccc1)c2ccccc2 Amb28141227 [0,0,0,0,1,0|1,0,1]=3 214 B17R2.2342 CN(CCc1ccccn1)c2ccccc2 Amb24096770 [0,0,0,0,1,0|3,0,0]=4 215 B17R2.2342 C[C@@H](NCc1ccccc1)c2ccccc2 Amb2719978 [0,0,0,0,1,0|2,0,1]=4 216 B17R2.2342 C[C@@H](NCc1ccccc1)c2ccccc2 Amb3939870 [0,0,0,0,1,0|2,0,1]=4 217 B17R2.2342 C[C@H](NCc1ccccc1)c2ccccc2 Amb2786750 [0,0,0,0,1,0|2,0,1]=4 218 B17R2.2342 C[C@H](NCc1ccccc1)c2ccccc2 Amb32663250 [0,0,0,0,1,0|2,0,1]=4 219 B17R2.2342 C\C(=N/Nc1ccccc1)c2ccccc2 Amb16225041 [0,0,0,0,1,0|3,0,0]=4 220 B17R2.2342 Cl\C(=N/Nc1ccccc1)c2ccccc2 Amb2780895 [0,0,0,0,1,0|3,0,0]=4 221 B17R2.2342 Cl\C(=N\Cc1ccccc1)c2ccccc2 Amb28400953 [0,0,0,0,1,0|2,0,0]=3 222 B17R2.2342 N=C(NCc1ccccc1)c2ccccc2 Amb23447124 [0,0,0,0,1,0|2,0,0]=3 223 B17R2.2342 NC(CCc1ccccc1)c2ccccc2 Amb10609173 [0,0,0,0,1,0|1,0,1]=3 224 B17R2.2342 NC(CCc1ccccc1)c2ccccc2 Amb5737005 [0,0,0,0,1,0|1,0,1]=3 225 B17R2.2342 NC(CCc1ccccc1)c2ccccn2 Amb19003585 [0,0,0,0,1,0|2,0,1]=4 226 B17R2.2342 NC(CCc1ccccc1)c2ccccn2 Amb35745689 [0,0,0,0,1,0|2,0,1]=4 227 B17R2.2342 NC(CCc1ccccc1)c2cccnc2 Amb18303480 [0,0,0,0,1,0|2,0,1]=4 228 B17R2.2342 NC(CCc1ccccc1)c2ccncc2 Amb18303481 [0,0,0,0,1,0|2,0,1]=4 229 B17R2.2342 NC(CCc1ccccc1)c2ccncc2 Amb35745688 [0,0,0,0,1,0|2,0,1]=4 230 B17R2.2342 NC(CNc1ccccc1)c2ccccc2 Amb19009672 [0,0,0,0,1,0|2,0,1]=4 231 B17R2.2342 NC(COc1ccccc1)c2ccccc2 Amb1139757 [0,0,0,0,1,0|2,0,1]=4 232 B17R2.2342 NC(COc1ccccc1)c2ccccc2 Amb19341662 [0,0,0,0,1,0|2,0,1]=4 233 B17R2.2342 NC(CSc1ccccc1)c2ccccc2 Amb21988447 [0,0,0,0,1,0|2,0,1]=4 234 B17R2.2342 N[C@@H](CNc1ccccc1)c2ccccc2 Amb33838333 [0,0,0,0,1,0|2,0,1]=4 235 B17R2.2342 N\C(=N/Cc1ccccc1)c2cccnc2 Amb21970341 [0,0,0,0,1,0|3,0,0]=4 236 B17R2.2342 O=C(C#Cc1ccccc1)c2ccccc2 Amb3941702 [0,0,0,0,1,0|0,0,2]=3 237 B17R2.2342 O=C(CCc1ccccc1)c2ccccc2 Amb2228399 [0,0,0,0,1,0|0,0,0]=1 238 B17R2.2342 O=C(CCc1ccccc1)c2ccccn2 Amb17508111 [0,0,0,0,1,0|1,0,0]=2 239 B17R2.2342 O=C(CCc1ccccc1)c2cccnc2 Amb17240896 [0,0,0,0,1,0|1,0,0]=2 240 B17R2.2342 O=C(CCc1cccnc1)c2ccccc2 Amb17507860 [0,0,0,0,1,0|1,0,0]=2 241 B17R2.2342 O=C(CNc1ccccc1)c2ccccc2 Amb32929163 [0,0,0,0,1,0|1,0,0]=2 242 B17R2.2342 O=C(CNc1ccccc1)c2ccccc2 Amb6543315 [0,0,0,0,1,0|1,0,0]=2 243 B17R2.2342 O=C(COc1ccccc1)c2ccccc2 Amb6360737 [0,0,0,0,1,0|1,0,0]=2 244 B17R2.2342 O=C(CSc1ccccc1)c2ccccc2 Amb2703541 [0,0,0,0,1,0|1,0,0]=2 245 B17R2.2342 O=C(CSc1ccccn1)c2ccccc2 Amb3862209 [0,0,0,0,1,0|2,0,0]=3 246 B17R2.2342 O=C(CSc1ncccn1)c2ccccc2 Amb1262714 [0,0,0,0,1,0|3,0,0]=4 247 B17R2.2342 O=C(NCc1ccccc1)C2=CNC=CC2 Amb27849048 [0,0,0,0,1,0|2,0,1]=4 248 B17R2.2342 O=C(NCc1ccccc1)c2ccccc2 Amb6339622 [0,0,0,0,1,0|1,0,0]=2 249 B17R2.2342 O=C(NCc1ccccc1)c2ccccn2 Amb1239907 [0,0,0,0,1,0|2,0,0]=3 250 B17R2.2342 O=C(NCc1ccccc1)c2cccnc2 Amb1195994 [0,0,0,0,1,0|2,0,0]=3 251 B17R2.2342 O=C(NCc1ccccc1)c2ccncc2 Amb6317618 [0,0,0,0,1,0|2,0,0]=3 252 B17R2.2342 O=C(NCc1ccccc1)c2cnccn2 Amb6879520 [0,0,0,0,1,0|3,0,0]=4 253 B17R2.2342 O=C(NCc1ccccc1)c2ncccn2 Amb21940605 [0,0,0,0,1,0|3,0,0]=4 254 B17R2.2342 O=C(NCc1ccccn1)c2ccccn2 Amb8264561 [0,0,0,0,1,0|3,0,0]=4 255 B17R2.2342 O=C(NCc1ccccn1)c2ccncc2 Amb10526077 [0,0,0,0,1,0|3,0,0]=4 256 B17R2.2342 O=C(NCc1ccncc1)c2ccncc2 Amb10573747 [0,0,0,0,1,0|3,0,0]=4 257 B17R2.2342 O=C(NCc1ccnnc1)c2ccccc2 Amb22493904 [0,0,0,0,1,0|3,0,0]=4 258 B17R2.2342 O=C(NCc1cnccn1)c2ccccc2 Amb32653398 [0,0,0,0,1,0|3,0,0]=4 259 B17R2.2342 O=C(NNc1ccccc1)c2ccccc2 Amb1229298 [0,0,0,0,1,0|2,0,0]=3 260 B17R2.2342 O=C(NNc1ccccc1)c2ccncc2 Amb3657583 [0,0,0,0,1,0|3,0,0]=4 261 B17R2.2342 O=C(OCc1ccccc1)c2ccccc2 Amb4889094 [0,0,0,0,1,0|0,0,0]=1 262 B17R2.2342 O=C(OCc1ccccc1)c2cccnc2 Amb1548203 [0,0,0,0,1,0|1,0,0]=2 263 B17R2.2342 O=C(OCc1ccccc1)c2cnccn2 Amb27485988 [0,0,0,0,1,0|2,0,0]=3 264 B17R2.2342 O=C(OCc1ccccn1)c2ccccn2 Amb24085010 [0,0,0,0,1,0|2,0,0]=3 265 B17R2.2342 O=C(\C=C\c1ccccc1)c2ccccc2 Amb17777126 [0,0,0,0,1,0|0,0,2]=3 266 B17R2.2342 O=C(\C=C\c1ccccc1)c2ccccc2 Amb33716481 [0,0,0,0,1,0|0,0,2]=3 267 B17R2.2342 O=C(\C=C\c1ccccc1)c2ccccc2 Amb8513552 [0,0,0,0,1,0|0,0,2]=3 268 B17R2.2342 O=C(\C=C\c1ccccc1)c2ccccn2 Amb2418890 [0,0,0,0,1,0|1,0,2]=4 269 B17R2.2342 O=C(\C=C\c1ccccn1)c2ccccc2 Amb17140401 [0,0,0,0,1,0|1,0,2]=4 270 B17R2.2342 O=C(\C=C\c1cccnc1)c2ccccc2 Amb135551 [0,0,0,0,1,0|1,0,2]=4 271 B17R2.2342 O=C(\C=C\c1ccncc1)c2ccccc2 Amb5721614 [0,0,0,0,1,0|1,0,2]=4 272 B17R2.2342 O=C(\N=N\c1ccccc1)c2ccccc2 Amb16231118 [0,0,0,0,1,0|2,0,0]=3 273 B17R2.2342 OC(CCc1ccccc1)c2ccccc2 Amb4019920 [0,0,0,0,1,0|0,0,2]=3 274 B17R2.2342 OC(CNc1ccccc1)c2ccccc2 Amb17140784 [0,0,0,0,1,0|1,0,2]=4 275 B17R2.2342 OC(COc1ccccc1)c2ccccc2 Amb22479800 [0,0,0,0,1,0|1,0,2]=4 276 B17R2.2342 OC(CSc1ccccc1)c2ccccc2 Amb21988442 [0,0,0,0,1,0|1,0,2]=4 277 B17R2.2342 O[C@@H](CNc1ccccc1)c2ccccc2 Amb29838296 [0,0,0,0,1,0|1,0,2]=4 278 B17R2.2342 O[C@H](CNc1ccccc1)c2ccccc2 Amb28556777 [0,0,0,0,1,0|1,0,2]=4 279 B17R2.2342 S=C(NCc1ccccc1)c2ccccc2 Amb1212595 [0,0,0,0,1,0|1,1,0]=3 280 B17R2.2342 S=C(NCc1ccccc1)c2ccccn2 Amb6346046 [0,0,0,0,1,0|2,1,0]=4 281 B17R2.5714 O=C(CCSc1ccccc1)c2cccs2 Amb2754038 [0,0,0,0,1,0|3,0,0]=4 282 B17R2.5714 O=C(COCc1ccccc1)c2ccco2 Amb27601139 [0,0,0,0,1,0|3,0,0]=4 283 B17R2.5714 O=C(NCCc1ccccc1)c2ccco2 Amb2661160 [0,0,0,0,1,0|2,0,0]=3 284 B17R2.5714 O=C(NCCc1ccccc1)c2cccs2 Amb2549824 [0,0,0,0,1,0|2,0,0]=3 285 B17R2.5714 O=C(NCCc1ccccc1)c2cncs2 Amb5493783 [0,0,0,0,1,0|3,0,0]=4 286 B17R2.5714 O=C(NCCc1ccccc1)n2ccnc2 Amb7969621 [0,0,0,0,1,0|3,0,0]=4 287 B17R2.5714 O=C(NCCc1ccccn1)c2cccs2 Amb6176394 [0,0,0,0,1,0|3,0,0]=4 288 B17R2.5714 O=C(NOCc1ccccc1)c2cccs2 Amb10426958 [0,0,0,0,1,0|3,0,0]=4 289 B17R2.5714 O=C(NOCc1ccccc1)c2ccoc2 Amb16056958 [0,0,0,0,1,0|3,0,0]=4 290 B17R2.45544 O=C(CSCc1ccco1)c2ccccc2 Amb9269512 [0,0,0,0,1,0|3,0,0]=4 291 B19R2.8899 CC(CNCCc1ccccc1)c2ccccc2 Amb6729153 [0,0,0,0,0,1|2,0,1]=4 292 B19R2.8899 NC(CCCCc1ccccc1)c2ccccc2 Amb20629765 [0,0,0,0,0,1|2,0,1]=4 293 B19R2.8899 O=C(NCSCc1ccccc1)c2ccccc2 Amb21953428 [0,0,0,0,0,1|1,0,0]=2 294 B19R2.8899 O=C(OC\C=C\c1ccccc1)c2ccccc2 Amb17777843 [0,0,0,0,0,1|0,0,1]=2 295 B19R2.8899 O=C(\C=C/NCc1ccccc1)c2ccccc2 Amb2386634 [0,0,0,0,0,1|1,0,1]=3 296 B19R2.8899 O=C(\C=C\C=C\c1ccccc1)c2ccccc2 Amb2617107 [0,0,0,0,0,1|1,0,2]=4 297 B19R2.8899 OC(CCNCc1ccccc1)c2ccccc2 Amb17348825 [0,0,0,0,0,1|1,0,2]=4 298 B19R2.8899 OC(CNCCc1ccccc1)c2ccccc2 Amb6384877 [0,0,0,0,0,1|1,0,2]=4 299 B19R2.8900 CC(Cc1ccccc1)NCCc2ccccc2 Amb20222565 [0,0,0,0,0,1|2,0,1]=4 300 B19R2.8900 O=C(CCCc1ccccc1)Nc2ccccc2 Amb2660640 [0,0,0,0,0,1|1,0,0]=2 301 B19R2.8900 O=C(Cc1ccccc1)NCCc2ccccc2 Amb2720817 [0,0,0,0,0,1|1,0,0]=2 302 B19R2.8900 O=C(NOCc1ccccc1)Nc2ccccc2 Amb2818944 [0,0,0,0,0,1|2,0,0]=3 303 B19R2.8900 S=C(NCCc1ccccc1)Nc2ccccn2 Amb6390786 [0,0,0,0,0,1|2,1,0]=4 304 B18R2.270 Brc1ccc(CCOCc2ccccc2)cc1 Amb25322703 [1,1,0,0,0,0|0,0,1]=3 305 B18R2.270 Cc1ccc(CNCCc2ccccc2)cc1 Amb6695457 [1,1,0,0,0,0|1,0,1]=4 306 B18R2.270 Clc1ccc(CNCCc2ccccc2)cc1 Amb6574449 [1,1,0,0,0,0|1,0,1]=4 307 B18R2.270 Fc1ccc(CCNCc2ccccc2)cc1 Amb6689449 [1,1,0,0,0,0|1,0,1]=4 308 B18R2.270 Fc1ccc(CNCCc2ccccc2)cc1 Amb1058734 [1,1,0,0,0,0|1,0,1]=4 309 B18R2.270 Fc1ccc(CNOCc2ccccc2)cc1 Amb27593642 [1,1,0,0,0,0|1,0,1]=4 310 B18R2.270 Nc1ccc(CCOCc2ccccc2)cc1 Amb9380836 [1,1,0,0,0,0|0,0,1]=3 311 B18R2.270 Nc1ccc(OCCCc2ccccc2)cc1 Amb2089061 [1,1,0,0,0,0|2,0,0]=4 312 B18R2.270 Oc1ccc(CNOCc2ccccc2)cc1 Amb28460962 [1,1,0,0,0,0|1,0,1]=4 313 B18R2.270 Oc1ccc(OC\C=C\c2ccccc2)cc1 Amb8837286 [1,1,0,0,0,0|2,0,0]=4 314 B18R2.2429 CC(Cc1ccccc1)NCc2ccccc2 Amb17618657 [1,1,0,0,0,0|1,0,1]=4 315 B18R2.2429 CC(Cc1ccccc1)NCc2ccccc2 Amb1813683 [1,1,0,0,0,0|1,0,1]=4 316 B18R2.2429 NC(CNc1ccccc1)Cc2ccccc2 Amb23927061 [1,1,0,0,0,0|2,0,0]=4 317 B18R2.2429 O=C(CCc1ccccc1)Cc2ccccc2 Amb10572893 [1,1,0,0,0,0|1,0,1]=4 318 B18R2.2429 O=C(CCc1ccccc1)Nc2ccccc2 Amb6880289 [1,1,0,0,0,0|2,0,0]=4 319 B18R2.3984 Brc1ccccc1CNOCc2ccccc2 Amb27260825 [1,1,0,0,0,0|1,0,1]=4 320 B18R2.3984 Brc1ccccc1OCOCc2ccccc2 Amb27251190 [1,1,0,0,0,0|1,0,1]=4 321 B18R2.3984 Cc1ccccc1CNCCc2ccccc2 Amb6695456 [1,1,0,0,0,0|1,0,1]=4 322 B18R2.3984 Clc1ccccc1CNCCc2ccccc2 Amb6695451 [1,1,0,0,0,0|1,0,1]=4 323 B18R2.3984 Clc1ccccc1CNOCc2ccccc2 Amb26487554 [1,1,0,0,0,0|1,0,1]=4 324 B18R2.3984 Fc1ccccc1CCNCc2ccccc2 Amb6465186 [1,1,0,0,0,0|1,0,1]=4 325 B18R2.3984 Fc1ccccc1CNCCc2ccccc2 Amb6695551 [1,1,0,0,0,0|1,0,1]=4 326 B18R2.3984 Ic1ccccc1CNCCc2ccccc2 Amb32410785 [1,1,0,0,0,0|1,0,1]=4 327 B18R2.3984 Nc1ccccc1NCCCc2ccccc2 Amb19373177 [1,1,0,0,0,0|2,0,0]=4 328 B18R2.3984 Nc1ccccc1NC\C=C\c2ccccc2 Amb10070125 [1,1,0,0,0,0|2,0,0]=4 329 B18R2.3984 Nc1ccccc1OCCCc2ccccc2 Amb2094487 [1,1,0,0,0,0|2,0,0]=4 330 B18R2.3984 Nc1ccccc1OCCCc2ccccc2 Amb6660254 [1,1,0,0,0,0|2,0,0]=4 331 B18R2.6483 Cc1cccc(CCNCc2ccccc2)c1 Amb28283128 [1,1,0,0,0,0|1,0,1]=4 332 B18R2.6483 Cc1cccc(CNCCc2ccccc2)c1 Amb4552917 [1,1,0,0,0,0|1,0,1]=4 333 B18R2.6483 Cc1cccc(CNOCc2ccccc2)c1 Amb25079434 [1,1,0,0,0,0|1,0,1]=4 334 B18R2.6483 Clc1cccc(CNCCc2ccccc2)c1 Amb4303622 [1,1,0,0,0,0|1,0,1]=4 335 B18R2.6483 Fc1cccc(CCNCc2ccccc2)c1 Amb9255562 [1,1,0,0,0,0|1,0,1]=4 336 B18R2.6483 Fc1cccc(CNCCc2ccccc2)c1 Amb6695455 [1,1,0,0,0,0|1,0,1]=4 337 B18R2.6483 Fc1cccc(OCOCc2ccccc2)c1 Amb27593731 [1,1,0,0,0,0|1,0,1]=4 338 B18R2.6483 Nc1cccc(CCNCc2ccccc2)c1 Amb18550386 [1,1,0,0,0,0|1,0,1]=4 339 B18R2.6483 Nc1cccc(COCCc2ccccc2)c1 Amb7790750 [1,1,0,0,0,0|0,0,1]=3 340 B18R2.6483 Nc1cccc(OCCCc2ccccc2)c1 Amb2094488 [1,1,0,0,0,0|2,0,0]=4 341 B18R2.6483 Nc1cccc(OCCCc2ccccc2)c1 Amb6251493 [1,1,0,0,0,0|2,0,0]=4 342 B18R2.6483 Oc1cccc(OC\C=C\c2ccccc2)c1 Amb9211011 [1,1,0,0,0,0|2,0,0]=4 343 B18R2.253 CC(OCc1ccccc1)c2ccc(N)cc2 Amb20622769 [0,1,0,0,1,0|1,0,1]=4 344 B18R2.253 C[n+]1ccc(C(=O)NCc2ccccc2)cc1 Amb1625952 [0,1,0,0,1,0|2,0,0]=4 345 B18R2.253 C[n+]1ccc(C(=O)NCc2ccccc2)cc1 Amb4289320 [0,1,0,0,1,0|2,0,0]=4 346 B18R2.253 Cc1ccc(C(=O)CCc2ccccc2)cc1 Amb6303698 [0,1,0,0,1,0|0,0,0]=2 347 B18R2.253 Cc1ccc(C(=O)CNc2ccccc2)cc1 Amb2309092 [0,1,0,0,1,0|1,0,0]=3 348 B18R2.253 Cc1ccc(C(=O)NCc2ccccc2)cn1 Amb8308364 [0,1,0,0,1,0|2,0,0]=4 349 B18R2.253 Cc1ccc(C(=O)NCc2cccnc2)cc1 Amb6347468 [0,1,0,0,1,0|2,0,0]=4 350 B18R2.253 Cc1ccc(C(=O)NCc2ccncc2)cc1 Amb6530238 [0,1,0,0,1,0|2,0,0]=4 351 B18R2.253 Cc1ccc(C(=O)NNc2ccccc2)cc1 Amb3687898 [0,1,0,0,1,0|2,0,0]=4 352 B18R2.253 Cc1ccc(C(=O)OCc2ccccc2)cc1 Amb17883903 [0,1,0,0,1,0|0,0,0]=2 353 B18R2.253 Cc1ccc(C(=O)OCc2ccccc2)cn1 Amb19895101 [0,1,0,0,1,0|1,0,0]=3 354 B18R2.253 Cc1ccc(C(=O)\C=C\c2ccccc2)cc1 Amb3429293 [0,1,0,0,1,0|0,0,2]=4 355 B18R2.253 Cc1ccc(C(=O)\C=N\c2ccccc2)cc1 Amb24309349 [0,1,0,0,1,0|1,0,1]=4 356 B18R2.253 Cc1ccc(C(=S)NCc2ccccc2)cc1 Amb8456472 [0,1,0,0,1,0|1,1,0]=4 357 B18R2.253 Cc1ccc(C(N)CCc2ccccc2)cc1 Amb5737032 [0,1,0,0,1,0|1,0,1]=4 358 B18R2.253 NC(CCc1ccccc1)c2ccc(Cl)cc2 Amb5737215 [0,1,0,0,1,0|1,0,1]=4 359 B18R2.253 NC(CCc1ccccc1)c2ccc(F)cc2 Amb5737188 [0,1,0,0,1,0|1,0,1]=4 360 B18R2.253 Nc1ccc(C(=O)CSc2ccccc2)cc1 Amb17202016 [0,1,0,0,1,0|1,0,0]=3 361 B18R2.253 Nc1ccc(C(=O)NCc2ccccc2)cc1 Amb6447197 [0,1,0,0,1,0|1,0,0]=3 362 B18R2.253 Nc1ccc(C(=O)NCc2ccccc2)nc1 Amb24358486 [0,1,0,0,1,0|2,0,0]=4 363 B18R2.253 Nc1ccc(C(=O)NCc2ccccn2)cc1 Amb1135521 [0,1,0,0,1,0|2,0,0]=4 364 B18R2.253 Nc1ccc(C(=O)NCc2cccnc2)cc1 Amb2684519 [0,1,0,0,1,0|2,0,0]=4 365 B18R2.253 Nc1ccc(C(=O)NCc2ccncc2)cc1 Amb33506244 [0,1,0,0,1,0|2,0,0]=4 366 B18R2.253 Nc1ccc(C(=O)NCc2ccncc2)cc1 Amb6648717 [0,1,0,0,1,0|2,0,0]=4 367 B18R2.253 Nc1ccc(C(=O)OCc2ccccc2)cc1 Amb31307726 [0,1,0,0,1,0|0,0,0]=2 368 B18R2.253 Nc1ccc(C(=O)OCc2ccccc2)cc1 Amb3998358 [0,1,0,0,1,0|0,0,0]=2 369 B18R2.253 Nc1ccc(C(=O)OCc2ccccc2)cn1 Amb19894700 [0,1,0,0,1,0|1,0,0]=3 370 B18R2.253 Nc1ccc(C(=O)\C=C\c2ccccc2)cc1 Amb4380378 [0,1,0,0,1,0|0,0,2]=4 371 B18R2.253 Nc1ccc(S(=O)NCc2ccccc2)cc1 Amb18874474 [0,1,0,0,1,0|2,0,0]=4 372 B18R2.253 O=C(C#Cc1ccccc1)c2ccc(F)cc2 Amb22741294 [0,1,0,0,1,0|0,0,2]=4 373 B18R2.253 O=C(CCc1ccccc1)c2ccc(Cl)cc2 Amb6303712 [0,1,0,0,1,0|0,0,0]=2 374 B18R2.253 O=C(CCc1ccccc1)c2ccc(F)cc2 Amb6303714 [0,1,0,0,1,0|0,0,0]=2 375 B18R2.253 O=C(CCc1ccccc1)c2ccc(O)cc2 Amb17596209 [0,1,0,0,1,0|0,0,0]=2 376 B18R2.253 O=C(CNc1ccccc1)c2ccc(Cl)cc2 Amb6445662 [0,1,0,0,1,0|1,0,0]=3 377 B18R2.253 O=C(CNc1ccccc1)c2ccc(F)cc2 Amb17344272 [0,1,0,0,1,0|1,0,0]=3 378 B18R2.253 O=C(CSc1ccccc1)c2ccc(Cl)cc2 Amb3836607 [0,1,0,0,1,0|1,0,0]=3 379 B18R2.253 O=C(CSc1ccccc1)c2ccc(F)cc2 Amb1542298 [0,1,0,0,1,0|1,0,0]=3 380 B18R2.253 O=C(CSc1ccccn1)c2ccc(Br)cc2 Amb1887194 [0,1,0,0,1,0|2,0,0]=4 381 B18R2.253 O=C(NCc1ccccc1)c2cc[n+]([O-])cc2 Amb1196149 [0,1,0,0,1,0|2,0,0]=4 382 B18R2.253 O=C(NCc1ccccc1)c2ccc(Br)cc2 Amb3097274 [0,1,0,0,1,0|1,0,0]=3 383 B18R2.253 O=C(NCc1ccccc1)c2ccc(Br)cn2 Amb10068266 [0,1,0,0,1,0|2,0,0]=4 384 B18R2.253 O=C(NCc1ccccc1)c2ccc(Cl)nc2 Amb1671615 [0,1,0,0,1,0|2,0,0]=4 385 B18R2.253 O=C(NCc1ccccc1)c2ccc(I)cc2 Amb1220012 [0,1,0,0,1,0|1,0,0]=3 386 B18R2.253 O=C(NCc1ccccc1)c2ccc(O)cc2 Amb1233844 [0,1,0,0,1,0|1,0,0]=3 387 B18R2.253 O=C(OCc1ccccc1)c2ccc(Br)cn2 Amb24333577 [0,1,0,0,1,0|1,0,0]=3 388 B18R2.253 O=C(OCc1ccccc1)c2ccc(Cl)cc2 Amb3097381 [0,1,0,0,1,0|0,0,0]=2 389 B18R2.253 O=C(OCc1ccccc1)c2ccc(Cl)nc2 Amb16207585 [0,1,0,0,1,0|1,0,0]=3 390 B18R2.253 O=C(OCc1ccccc1)c2ccc(I)cc2 Amb4781966 [0,1,0,0,1,0|0,0,0]=2 391 B18R2.253 O=C(OCc1ccccc1)c2ccc(O)cc2 Amb1229294 [0,1,0,0,1,0|0,0,0]=2 392 B18R2.253 O=C(\C=C\c1ccccc1)c2ccc(Br)cc2 Amb1240532 [0,1,0,0,1,0|0,0,2]=4 393 B18R2.253 O=C(\C=C\c1ccccc1)c2ccc(Cl)cc2 Amb2229327 [0,1,0,0,1,0|0,0,2]=4 394 B18R2.253 O=C(\C=C\c1ccccc1)c2ccc(F)cc2 Amb2221696 [0,1,0,0,1,0|0,0,2]=4 395 B18R2.253 O=C(\C=C\c1ccccc1)c2ccc(O)cc2 Amb1555158 [0,1,0,0,1,0|0,0,2]=4 396 B18R2.253 O=C1C=CC(C(=O)OCc2ccccc2)=NN1 Amb20407570 [0,1,0,0,1,0|2,0,0]=4 397 B18R2.257 CN(CCc1ccc(N)cc1)c2ccccc2 Amb5733542 [0,1,0,0,1,0|2,0,0]=4 398 B18R2.257 Cc1ccc(CCC(N)c2ccccc2)cc1 Amb5737008 [0,1,0,0,1,0|1,0,1]=4 399 B18R2.257 Cc1ccc(NCC(=O)c2ccccc2)cc1 Amb6445940 [0,1,0,0,1,0|1,0,0]=3 400 B18R2.257 Cc1ccc(SCC(=O)c2ccccc2)cc1 Amb9216230 [0,1,0,0,1,0|1,0,0]=3 401 B18R2.257 Cc1ccc(\C=C\C(=O)c2ccccc2)cc1 Amb2690333 [0,1,0,0,1,0|0,0,2]=4 402 B18R2.257 NC(CCc1ccc(Cl)cc1)c2ccccc2 Amb5737017 [0,1,0,0,1,0|1,0,1]=4 403 B18R2.257 NC(CCc1ccc(F)cc1)c2ccccc2 Amb35751860 [0,1,0,0,1,0|1,0,1]=4 404 B18R2.257 NC(CCc1ccc(F)cc1)c2ccccc2 Amb5737010 [0,1,0,0,1,0|1,0,1]=4 405 B18R2.257 Nc1ccc(CCC(O)c2ccccc2)cc1 Amb9781812 [0,1,0,0,1,0|0,0,2]=4 406 B18R2.257 Nc1ccc(CNC(=O)c2ccccc2)cc1 Amb17142171 [0,1,0,0,1,0|1,0,0]=3 407 B18R2.257 Nc1ccc(CNC(=O)c2cccnc2)cc1 Amb17142287 [0,1,0,0,1,0|2,0,0]=4 408 B18R2.257 Nc1ccc(OCC(=O)c2ccccc2)cc1 Amb17247689 [0,1,0,0,1,0|1,0,0]=3 409 B18R2.257 Nc1ccc(\C=C\C(=O)c2ccccc2)cc1 Amb6869943 [0,1,0,0,1,0|0,0,2]=4 410 B18R2.257 O=C(CNc1ccc(Br)cc1)c2ccccc2 Amb6384607 [0,1,0,0,1,0|1,0,0]=3 411 B18R2.257 O=C(CNc1ccc(Cl)cc1)c2ccccc2 Amb6384610 [0,1,0,0,1,0|1,0,0]=3 412 B18R2.257 O=C(CNc1ccc(F)cc1)c2ccccc2 Amb2679369 [0,1,0,0,1,0|1,0,0]=3 413 B18R2.257 O=C(CSc1ccc(Cl)cc1)c2ccccc2 Amb3836606 [0,1,0,0,1,0|1,0,0]=3 414 B18R2.257 O=C(C[NH2+]c1ccc(F)cc1)c2ccccc2 Amb2711193 [0,1,0,0,1,0|1,0,0]=3 415 B18R2.257 O=C(NCc1ccc(O)cc1)c2ccncc2 Amb35788630 [0,1,0,0,1,0|2,0,0]=4 416 B18R2.257 O=C(OCc1ncc(Br)cn1)c2ccccc2 Amb24061578 [0,1,0,0,1,0|2,0,0]=4 417 B18R2.257 O=C(OCc1ncc(Cl)cn1)c2ccccc2 Amb33624784 [0,1,0,0,1,0|2,0,0]=4 418 B18R2.257 O=C(\C=C\c1ccc(Br)cc1)c2ccccc2 Amb2610834 [0,1,0,0,1,0|0,0,2]=4 419 B18R2.257 O=C(\C=C\c1ccc(Cl)cc1)c2ccccc2 Amb1583389 [0,1,0,0,1,0|0,0,2]=4 420 B18R2.257 O=C(\C=C\c1ccc(F)cc1)c2ccccc2 Amb6574974 [0,1,0,0,1,0|0,0,2]=4 421 B18R2.257 O=C(\C=C\c1ccc(O)cc1)c2ccccc2 Amb1583085 [0,1,0,0,1,0|0,0,2]=4 422 B18R2.257 O=C1C=CC(=NOC(=O)c2ccccc2)C=C1 Amb900083 [0,1,0,0,1,0|1,0,0]=3 423 B18R2.257 [NH3+]c1ccc(\C=C\C(=O)c2ccccc2)cc1 Amb17777596 [0,1,0,0,1,0|0,0,2]=4 424 B18R2.3606 BrCC(OCc1ccccc1)c2ccccc2 Amb25324857 [0,1,0,0,1,0|1,0,1]=4 425 B18R2.3606 ICC(OCc1ccccc1)c2ccccc2 Amb27803345 [0,1,0,0,1,0|1,0,1]=4 426 B18R2.3606 NCC(OCc1ccccc1)c2ccccc2 Amb27181746 [0,1,0,0,1,0|1,0,1]=4 427 B18R2.3606 O=CC(OCc1ccccc1)c2ccccc2 Amb18659449 [0,1,0,0,1,0|0,0,1]=3 428 B18R2.3606 O=C\C(=C/Nc1ccccc1)c2ccccc2 Amb17777668 [0,1,0,0,1,0|1,0,1]=4 429 B18R2.3606 O=C\C(=C/Oc1ccccc1)c2ccccc2 Amb17843321 [0,1,0,0,1,0|1,0,1]=4 430 B18R2.3634 CC(CC(=O)c1ccccc1)c2ccccc2 Amb2637812 [0,1,0,0,1,0|0,0,0]=2 431 B18R2.3634 CC(NC(=O)c1ccccc1)c2ccccn2 Amb10464918 [0,1,0,0,1,0|2,0,0]=4 432 B18R2.3634 CC(NC(=O)c1ccccn1)c2ccccc2 Amb1806097 [0,1,0,0,1,0|2,0,0]=4 433 B18R2.3634 CC(NC(=O)c1cccnc1)c2ccccc2 Amb3371351 [0,1,0,0,1,0|2,0,0]=4 434 B18R2.3634 CN(CC(=O)c1ccccc1)c2ccccc2 Amb9225625 [0,1,0,0,1,0|1,0,0]=3 435 B18R2.3634 CN(CC(Cl)c1ccccc1)c2ccccc2 Amb17546796 [0,1,0,0,1,0|2,0,0]=4 436 B18R2.3634 CN(CC(O)c1ccccc1)c2ccccc2 Amb17142342 [0,1,0,0,1,0|2,0,0]=4 437 B18R2.3634 CN(C[C@@H](N)c1ccccc1)c2ccccc2 Amb5782297 [0,1,0,0,1,0|2,0,0]=4 438 B18R2.3634 C[C@@H](NC(=O)c1ccccc1)c2ccccc2 Amb17779318 [0,1,0,0,1,0|1,0,0]=3 439 B18R2.3634 C\C(=C/C(=O)c1ccccc1)c2ccccc2 Amb2720858 [0,1,0,0,1,0|0,0,2]=4 440 B18R2.3634 N\C(=C/C(=O)c1ccccc1)c2ccccc2 Amb2386645 [0,1,0,0,1,0|0,0,2]=4 441 B18R2.3634 O=C(CC(=O)c1ccccc1)c2ccccc2 Amb264320 [0,1,0,0,1,0|0,0,1]=3 442 B18R2.3634 O=C(CC(=O)c1cccnc1)c2ccccc2 Amb9210300 [0,1,0,0,1,0|1,0,1]=4 443 B18R2.3634 O=C(OC(=O)c1ccccc1)c2ccccc2 Amb4158236 [0,1,0,0,1,0|0,0,1]=3 444 B18R2.3634 O=[Se](O[Se](=O)c1ccccc1)c2ccccc2 Amb8514182 [0,1,0,0,1,0|2,0,0]=4 445 B18R2.3990 CN(CCc1ccccc1N)c2ccccc2 Amb5733560 [0,1,0,0,1,0|2,0,0]=4 446 B18R2.3990 Cc1ccccc1CCC(N)c2ccccc2 Amb5737006 [0,1,0,0,1,0|1,0,1]=4 447 B18R2.3990 Cc1ccccc1CNC(=O)c2ccccc2 Amb2629446 [0,1,0,0,1,0|1,0,0]=3 448 B18R2.3990 Cc1ccccc1NCC(=O)c2ccccc2 Amb6882440 [0,1,0,0,1,0|1,0,0]=3 449 B18R2.3990 Cc1ccccc1\C=C\C(=O)c2ccccc2 Amb17141590 [0,1,0,0,1,0|0,0,2]=4 450 B18R2.3990 Cc1cccnc1NCC(=O)c2ccccc2 Amb24056067 [0,1,0,0,1,0|2,0,0]=4 451 B18R2.3990 NC(CCc1ccccc1Cl)c2ccccc2 Amb5737015 [0,1,0,0,1,0|1,0,1]=4 452 B18R2.3990 NC(CCc1ccccc1F)c2ccccc2 Amb5737009 [0,1,0,0,1,0|1,0,1]=4 453 B18R2.3990 Nc1ccccc1OCC(=O)c2ccccc2 Amb17110120 [0,1,0,0,1,0|1,0,0]=3 454 B18R2.3990 O=C(CCc1ccccc1Cl)c2ccccc2 Amb9031545 [0,1,0,0,1,0|0,0,0]=2 455 B18R2.3990 O=C(CNc1ccccc1Cl)c2ccccc2 Amb6445406 [0,1,0,0,1,0|1,0,0]=3 456 B18R2.3990 O=C(CNc1ccccc1F)c2ccccc2 Amb17344270 [0,1,0,0,1,0|1,0,0]=3 457 B18R2.3990 O=C(CNc1ccccc1F)c2ccccc2 Amb32428948 [0,1,0,0,1,0|1,0,0]=3 458 B18R2.3990 O=C(\C=C\c1ccccc1Cl)c2ccccc2 Amb3429506 [0,1,0,0,1,0|0,0,2]=4 459 B18R2.3990 O=C(\C=C\c1ccccc1F)c2ccccc2 Amb2388542 [0,1,0,0,1,0|0,0,2]=4 460 B18R2.3990 O=C(\C=C\c1ccccc1O)c2ccccc2 Amb8439947 [0,1,0,0,1,0|0,0,2]=4 461 B18R2.4001 C\C(=N/Cc1ccccc1)c2ccccc2O Amb2774213 [0,1,0,0,1,0|2,0,0]=4 462 B18R2.4001 C\C(=N\Cc1ccccc1)c2ccccc2N Amb27810357 [0,1,0,0,1,0|2,0,0]=4 463 B18R2.4001 C\C(=N\Cc1ccccc1)c2ccccc2O Amb26898728 [0,1,0,0,1,0|2,0,0]=4 464 B18R2.4001 Cc1ccccc1C(=O)CCc2ccccc2 Amb6303696 [0,1,0,0,1,0|0,0,0]=2 465 B18R2.4001 Cc1ccccc1C(=O)NCc2ccccc2 Amb6349802 [0,1,0,0,1,0|1,0,0]=3 466 B18R2.4001 Cc1ccccc1C(=O)OCc2ccccc2 Amb4845263 [0,1,0,0,1,0|0,0,0]=2 467 B18R2.4001 Cc1ccccc1C(=O)\C=C\c2ccccc2 Amb20674144 [0,1,0,0,1,0|0,0,2]=4 468 B18R2.4001 Cc1ccncc1C(=O)NCc2ccccc2 Amb35706281 [0,1,0,0,1,0|2,0,0]=4 469 B18R2.4001 Cc1ncccc1C(=O)NCc2ccccc2 Amb27767702 [0,1,0,0,1,0|2,0,0]=4 470 B18R2.4001 Nc1ccccc1C(=O)NCc2ccccc2 Amb6334950 [0,1,0,0,1,0|1,0,0]=3 471 B18R2.4001 Nc1ccccc1C(=O)NCc2ccccn2 Amb1091911 [0,1,0,0,1,0|2,0,0]=4 472 B18R2.4001 Nc1ccccc1C(=O)NCc2cccnc2 Amb15740887 [0,1,0,0,1,0|2,0,0]=4 473 B18R2.4001 Nc1ccccc1C(=O)NCc2cccnc2 Amb6543505 [0,1,0,0,1,0|2,0,0]=4 474 B18R2.4001 Nc1ccccc1C(=O)NCc2ccncc2 Amb2736560 [0,1,0,0,1,0|2,0,0]=4 475 B18R2.4001 Nc1ccccc1C(=O)NNc2ccccc2 Amb18659755 [0,1,0,0,1,0|2,0,0]=4 476 B18R2.4001 Nc1ccccc1C(=O)OCc2ccccc2 Amb2684622 [0,1,0,0,1,0|0,0,0]=2 477 B18R2.4001 Nc1cnccc1C(=O)OCc2ccccc2 Amb27189844 [0,1,0,0,1,0|1,0,0]=3 478 B18R2.4001 Nc1ncccc1C(=O)NCc2ccccc2 Amb19919823 [0,1,0,0,1,0|2,0,0]=4 479 B18R2.4001 Nc1ncccc1C(=O)OCc2ccccc2 Amb24431847 [0,1,0,0,1,0|1,0,0]=3 480 B18R2.4001 Nc1nccnc1C(=O)OCc2ccccc2 Amb4009359 [0,1,0,0,1,0|2,0,0]=4 481 B18R2.4001 Nc1ncncc1C(=O)OCc2ccccc2 Amb23590204 [0,1,0,0,1,0|2,0,0]=4 482 B18R2.4001 O=C(CCc1ccccc1)c2ccccc2Cl Amb6303724 [0,1,0,0,1,0|0,0,0]=2 483 B18R2.4001 O=C(CCc1ccccc1)c2ccccc2F Amb6303725 [0,1,0,0,1,0|0,0,0]=2 484 B18R2.4001 O=C(CCc1ccccc1)c2ccccc2O Amb3940305 [0,1,0,0,1,0|0,0,0]=2 485 B18R2.4001 O=C(NCc1ccccc1)c2cccc[n+]2[O-] Amb24109388 [0,1,0,0,1,0|2,0,0]=4 486 B18R2.4001 O=C(NCc1ccccc1)c2ccccc2Br Amb6337854 [0,1,0,0,1,0|1,0,0]=3 487 B18R2.4001 O=C(NCc1ccccc1)c2ccccc2Cl Amb1233498 [0,1,0,0,1,0|1,0,0]=3 488 B18R2.4001 O=C(NCc1ccccc1)c2ccccc2I Amb1212359 [0,1,0,0,1,0|1,0,0]=3 489 B18R2.4001 O=C(NCc1ccccc1)c2ccccc2O Amb1208383 [0,1,0,0,1,0|1,0,0]=3 490 B18R2.4001 O=C(NCc1ccccc1)c2ccccc2S Amb27432062 [0,1,0,0,1,0|1,0,0]=3 491 B18R2.4001 O=C(NCc1ccccc1)c2cccnc2Br Amb16207940 [0,1,0,0,1,0|2,0,0]=4 492 B18R2.4001 O=C(NCc1ccccc1)c2cccnc2Cl Amb2725266 [0,1,0,0,1,0|2,0,0]=4 493 B18R2.4001 O=C(NCc1ccccc1)c2cccnc2F Amb28073866 [0,1,0,0,1,0|2,0,0]=4 494 B18R2.4001 O=C(NCc1ccccc1)c2cnccc2Cl Amb25662462 [0,1,0,0,1,0|2,0,0]=4 495 B18R2.4001 O=C(NCc1ccccn1)c2ccccc2O Amb6324813 [0,1,0,0,1,0|2,0,0]=4 496 B18R2.4001 O=C(NCc1cccnc1)c2ccccc2F Amb6423287 [0,1,0,0,1,0|2,0,0]=4 497 B18R2.4001 O=C(NCc1cccnc1)c2ccccc2O Amb6324800 [0,1,0,0,1,0|2,0,0]=4 498 B18R2.4001 O=C(NNc1ccccc1)c2ccccc2Cl Amb6879050 [0,1,0,0,1,0|2,0,0]=4 499 B18R2.4001 O=C(OCc1ccccc1)c2ccccc2F Amb4747960 [0,1,0,0,1,0|0,0,0]=2 500 B18R2.4001 O=C(OCc1ccccc1)c2ccccc2O Amb3940600 [0,1,0,0,1,0|0,0,0]=2 501 B18R2.4001 O=C(OCc1ccccc1)c2ccncc2F Amb13887028 [0,1,0,0,1,0|1,0,0]=3 502 B18R2.4001 O=C(\C=C\c1ccccc1)c2ccccc2Cl Amb2781546 [0,1,0,0,1,0|0,0,2]=4 503 B18R2.4001 O=C(\C=C\c1ccccc1)c2ccccc2O Amb33787994 [0,1,0,0,1,0|0,0,2]=4 504 B18R2.6463 Cc1cccc(C(=O)CCc2ccccc2)c1 Amb6303697 [0,1,0,0,1,0|0,0,0]=2 505 B18R2.6463 Cc1cccc(C(=O)NCc2ccccc2)n1 Amb8258617 [0,1,0,0,1,0|2,0,0]=4 506 B18R2.6463 Cc1cccc(C(=O)OCc2ccccc2)c1 Amb2661473 [0,1,0,0,1,0|0,0,0]=2 507 B18R2.6463 Cc1cccc(C(=O)\C=C\c2ccccc2)c1 Amb20674213 [0,1,0,0,1,0|0,0,2]=4 508 B18R2.6463 NC(CCc1ccccc1)c2cccc(Cl)c2 Amb35753068 [0,1,0,0,1,0|1,0,1]=4 509 B18R2.6463 NC(CCc1ccccc1)c2cccc(F)c2 Amb35751871 [0,1,0,0,1,0|1,0,1]=4 510 B18R2.6463 NC(CCc1ccccc1)c2cccc(F)c2 Amb35753067 [0,1,0,0,1,0|1,0,1]=4 511 B18R2.6463 Nc1cc(C(=O)NCc2ccccc2)ccn1 Amb25205959 [0,1,0,0,1,0|2,0,0]=4 512 B18R2.6463 Nc1cccc(C(=O)CCc2ccccc2)c1 Amb17343371 [0,1,0,0,1,0|0,0,0]=2 513 B18R2.6463 Nc1cccc(C(=O)CNc2ccccc2)c1 Amb18227660 [0,1,0,0,1,0|1,0,0]=3 514 B18R2.6463 Nc1cccc(C(=O)COc2ccccc2)c1 Amb17343794 [0,1,0,0,1,0|1,0,0]=3 515 B18R2.6463 Nc1cccc(C(=O)NCc2ccccc2)c1 Amb2693438 [0,1,0,0,1,0|1,0,0]=3 516 B18R2.6463 Nc1cccc(C(=O)NCc2ccccc2)c1 Amb6546048 [0,1,0,0,1,0|1,0,0]=3 517 B18R2.6463 Nc1cccc(C(=O)NCc2ccccn2)c1 Amb1131993 [0,1,0,0,1,0|2,0,0]=4 518 B18R2.6463 Nc1cccc(C(=O)NCc2cccnc2)c1 Amb2663355 [0,1,0,0,1,0|2,0,0]=4 519 B18R2.6463 Nc1cccc(C(=O)NCc2ccncc2)c1 Amb6641034 [0,1,0,0,1,0|2,0,0]=4 520 B18R2.6463 Nc1cccc(C(=O)OCc2ccccc2)c1 Amb18539416 [0,1,0,0,1,0|0,0,0]=2 521 B18R2.6463 Nc1cccc(C(=O)\C=C\c2ccccc2)c1 Amb6870601 [0,1,0,0,1,0|0,0,2]=4 522 B18R2.6463 Nc1cncc(C(=O)NCc2ccccc2)c1 Amb27983159 [0,1,0,0,1,0|2,0,0]=4 523 B18R2.6463 O=C(CCc1ccccc1)c2cccc(Cl)c2 Amb6303711 [0,1,0,0,1,0|0,0,0]=2 524 B18R2.6463 O=C(NCc1ccccc1)c2cc(Cl)ccn2 Amb8830891 [0,1,0,0,1,0|2,0,0]=4 525 B18R2.6463 O=C(NCc1ccccc1)c2cc(F)ccn2 Amb28063796 [0,1,0,0,1,0|2,0,0]=4 526 B18R2.6463 O=C(NCc1ccccc1)c2ccc[n+]([O-])c2 Amb1643991 [0,1,0,0,1,0|2,0,0]=4 527 B18R2.6463 O=C(NCc1ccccc1)c2cccc(Br)c2 Amb1234349 [0,1,0,0,1,0|1,0,0]=3 528 B18R2.6463 O=C(NCc1ccccc1)c2cccc(Cl)c2 Amb6347597 [0,1,0,0,1,0|1,0,0]=3 529 B18R2.6463 O=C(NCc1ccccc1)c2cccc(Cl)n2 Amb25026068 [0,1,0,0,1,0|2,0,0]=4 530 B18R2.6463 O=C(NCc1ccccc1)c2cccc(F)c2 Amb6360834 [0,1,0,0,1,0|1,0,0]=3 531 B18R2.6463 O=C(NCc1ccccc1)c2cccc(I)c2 Amb1220275 [0,1,0,0,1,0|1,0,0]=3 532 B18R2.6463 O=C(NCc1ccccc1)c2cccc(O)c2 Amb2272540 [0,1,0,0,1,0|1,0,0]=3 533 B18R2.6463 O=C(NCc1ccccc1)c2cccc(S)c2 Amb28069601 [0,1,0,0,1,0|1,0,0]=3 534 B18R2.6463 O=C(NCc1ccccc1)c2cccc(S)n2 Amb24430357 [0,1,0,0,1,0|2,0,0]=4 535 B18R2.6463 O=C(NCc1ccccc1)c2ccnc(Cl)c2 Amb6668032 [0,1,0,0,1,0|2,0,0]=4 536 B18R2.6463 O=C(NCc1ccccc1)c2cncc(Br)c2 Amb267116 [0,1,0,0,1,0|2,0,0]=4 537 B18R2.6463 O=C(NCc1ccccc1)c2cncc(O)c2 Amb24332127 [0,1,0,0,1,0|2,0,0]=4 538 B18R2.6463 O=C(OCc1ccccc1)c2cccc(Br)c2 Amb5097157 [0,1,0,0,1,0|0,0,0]=2 539 B18R2.6463 O=C(OCc1ccccc1)c2cccc(F)c2 Amb4758087 [0,1,0,0,1,0|0,0,0]=2 540 B18R2.6463 O=C(OCc1ccccc1)c2cccc(F)n2 Amb27211674 [0,1,0,0,1,0|1,0,0]=3 541 B18R2.6463 O=C(OCc1ccccc1)c2cccc(I)c2 Amb4936897 [0,1,0,0,1,0|0,0,0]=2 542 B18R2.6463 O=C(OCc1ccccc1)c2cccc(O)c2 Amb9828589 [0,1,0,0,1,0|0,0,0]=2 543 B18R2.6463 O=C(OCc1ccccc1)c2ccnc(Br)c2 Amb27811482 [0,1,0,0,1,0|1,0,0]=3 544 B18R2.6463 O=C(\C=C\c1ccccc1)c2cccc(Br)c2 Amb45688 [0,1,0,0,1,0|0,0,2]=4 545 B18R2.6463 O=C(\C=C\c1ccccc1)c2cccc(Cl)c2 Amb4893607 [0,1,0,0,1,0|0,0,2]=4 546 B18R2.6463 O=C1C=C(C(=O)NCc2ccccc2)C=CN1 Amb23465444 [0,1,0,0,1,0|2,0,0]=4 547 B18R2.6467 CN(CCc1cccc(N)c1)c2ccccc2 Amb17050655 [0,1,0,0,1,0|2,0,0]=4 548 B18R2.6467 Cc1cccc(CCC(N)c2ccccc2)c1 Amb5737007 [0,1,0,0,1,0|1,0,1]=4 549 B18R2.6467 Cc1cccc(NCC(=O)c2ccccc2)c1 Amb3374584 [0,1,0,0,1,0|1,0,0]=3 550 B18R2.6467 Cc1cccc(\C=C\C(=O)c2ccccc2)c1 Amb17141591 [0,1,0,0,1,0|0,0,2]=4 551 B18R2.6467 NC(CCc1cccc(Cl)c1)c2ccccc2 Amb5737016 [0,1,0,0,1,0|1,0,1]=4 552 B18R2.6467 NC(CCc1cccc(F)c1)c2ccccc2 Amb35751034 [0,1,0,0,1,0|1,0,1]=4 553 B18R2.6467 NC(CCc1cccc(F)c1)c2ccccc2 Amb9031732 [0,1,0,0,1,0|1,0,1]=4 554 B18R2.6467 Nc1cccc(CCC(O)c2ccccc2)c1 Amb19514677 [0,1,0,0,1,0|0,0,2]=4 555 B18R2.6467 Nc1cccc(NCC(=O)c2ccccc2)c1 Amb17777194 [0,1,0,0,1,0|1,0,0]=3 556 B18R2.6467 Nc1cccc(OCC(=O)c2ccccc2)c1 Amb17110119 [0,1,0,0,1,0|1,0,0]=3 557 B18R2.6467 Nc1cccc(SCC(=O)c2ccccc2)c1 Amb30622791 [0,1,0,0,1,0|1,0,0]=3 558 B18R2.6467 Nc1cccc(\C=C\C(=O)c2ccccc2)c1 Amb6870631 [0,1,0,0,1,0|0,0,2]=4 559 B18R2.6467 O=C(CNc1cccc(Br)c1)c2ccccc2 Amb17378023 [0,1,0,0,1,0|1,0,0]=3 560 B18R2.6467 O=C(CNc1cccc(Cl)c1)c2ccccc2 Amb17350418 [0,1,0,0,1,0|1,0,0]=3 561 B18R2.6467 O=C(CNc1cccc(F)c1)c2ccccc2 Amb17344271 [0,1,0,0,1,0|1,0,0]=3 562 B18R2.6467 O=C(\C=C\c1cccc(Br)c1)c2ccccc2 Amb46961 [0,1,0,0,1,0|0,0,2]=4 563 B18R2.6467 O=C(\C=C\c1cccc(Cl)c1)c2ccccc2 Amb16490923 [0,1,0,0,1,0|0,0,2]=4 564 B18R2.6467 O=C(\C=C\c1cccc(F)c1)c2ccccc2 Amb1335496 [0,1,0,0,1,0|0,0,2]=4 565 B18R2.6467 O=C(\C=C\c1cccc(O)c1)c2ccccc2 Amb2781547 [0,1,0,0,1,0|0,0,2]=4 566 B18R2.6467 [NH3+]c1cccc(\C=C\C(=O)c2ccccc2)c1 Amb17777604 [0,1,0,0,1,0|0,0,2]=4 567 B18R2.7204 C=C(Oc1ccccc1)C(=O)c2ccccc2 Amb17596145 [0,1,0,0,1,0|1,0,1]=4 568 B18R2.7204 CN(Cc1ccccc1)C(=O)c2ccccc2 Amb3887385 [0,1,0,0,1,0|1,0,0]=3 569 B18R2.7204 NC(Cc1ccccc1)C(O)c2ccccc2 Amb30326225 [0,1,0,0,1,0|0,0,2]=4 570 B18R2.7204 NC(Cc1ccccc1)C(O)c2ccccc2 Amb8855253 [0,1,0,0,1,0|0,0,2]=4 571 B18R2.7204 O=C(C(=S)Nc1ccccc1)c2ccccc2 Amb21949014 [0,1,0,0,1,0|1,0,1]=4 572 B18R2.7204 O=C(Nc1ccccc1)C(=O)c2ccccc2 Amb17343265 [0,1,0,0,1,0|1,0,1]=4 573 B18R2.7204 O=C(c1ccccc1)N(O)Cc2ccccc2 Amb2616139 [0,1,0,0,1,0|1,0,0]=3 574 B18R2.7204 O=C(c1ccncc1)N(O)Cc2ccccc2 Amb25167589 [0,1,0,0,1,0|2,0,0]=4 575 B18R2.32237 O=S(=O)(NCc1ccccc1)c2ccccc2 Amb6358919 [0,1,0,0,1,0|2,0,0]=4 576 B18R2.32237 O=S(=O)(OCc1ccccc1)c2ccccc2 Amb22054410 [0,1,0,0,1,0|1,0,0]=3 577 B18R2.3732 Nc1ccc(C(=O)NCCc2ccccc2)o1 Amb18625474 [0,1,0,0,1,0|2,0,0]=4 578 B18R2.8984 Nc1ccc(CCNC(=O)c2ccco2)cc1 Amb17142624 [0,1,0,0,1,0|2,0,0]=4 579 B18R2.8984 Nc1ccc(CCNC(=O)c2cccs2)cc1 Amb17159918 [0,1,0,0,1,0|2,0,0]=4 580 B18R2.8984 O=C(NCCc1ccc(F)cc1)c2cccs2 Amb6405763 [0,1,0,0,1,0|2,0,0]=4 581 B18R2.72597 O=C(NCC(O)c1ccccc1)c2ccco2 Amb2742409 [0,1,0,0,1,0|2,0,0]=4 582 B18R2.72597 O=C(NCC(O)c1ccccc1)c2cccs2 Amb2742407 [0,1,0,0,1,0|2,0,0]=4 583 B18R2.5991 Nc1ccccc1C(=O)NCCc2cccs2 Amb1139718 [0,1,0,0,1,0|2,0,0]=4 584 B18R2.9270 Nc1ccc(C(=O)NCCc2cccs2)cc1 Amb1137866 [0,1,0,0,1,0|2,0,0]=4 585 B18R2.65915 Nc1cccc(C(=O)NCCc2cccs2)c1 Amb1128110 [0,1,0,0,1,0|2,0,0]=4 586 B20R2.4785 Nc1cccnc1NCCNC(=O)c2ccccc2 Amb18617285 [0,1,0,0,0,1|2,0,0]=4 587 B20R2.8343 Nc1ccccc1C(=O)NCCOc2ccccc2 Amb6369613 [0,1,0,0,0,1|1,0,0]=3 588 B20R2.8343 Nc1ccccc1C(=O)OCCCc2ccccc2 Amb17307691 [0,1,0,0,0,1|0,0,0]=2 589 B20R2.8343 Nc1ccccc1C(=O)OCCOc2ccccc2 Amb535049 [0,1,0,0,0,1|0,0,0]=2 590 B20R2.8343 Nc1ccccc1C(=O)OC\C=C\c2ccccc2 Amb6357812 [0,1,0,0,0,1|0,0,1]=3 591 B20R2.8343 O=C(NCCCc1ccccc1)c2ccccc2O Amb6353476 [0,1,0,0,0,1|1,0,0]=3 592 B20R2.8343 O=C(OCCCc1ccccc1)c2ccccc2O Amb17307705 [0,1,0,0,0,1|0,0,0]=2 593 B20R2.10809 CN(CCC(=O)c1ccccc1)Cc2ccccc2 Amb17354444 [0,1,0,0,0,1|1,0,0]=3 594 B20R2.10809 CN(CCC(=O)c1ccccc1)Cc2ccccc2 Amb6383506 [0,1,0,0,0,1|1,0,0]=3 595 B20R2.10809 O=C(CCC(=O)c1ccccc1)Nc2ccccc2 Amb2616085 [0,1,0,0,0,1|1,0,1]=4 596 B20R2.10809 O=C(Cc1ccccc1)NNC(=O)c2ccccc2 Amb6530235 [0,1,0,0,0,1|1,0,1]=4 597 B20R2.10809 O=C(NCC(O)Cc1ccccc1)c2ccccc2 Amb21941935 [0,1,0,0,0,1|1,0,0]=3 598 B20R2.10826 O=C(CCCC(=O)c1ccccc1)c2ccccc2 Amb2721312 [0,1,0,0,0,1|1,0,0]=3 599 B20R2.10826 O=C(CSCC(=O)c1ccccc1)c2ccccc2 Amb1262729 [0,1,0,0,0,1|0,1,1]=4 600 B20R2.15240 Nc1ccc(NCCNC(=O)c2ccccc2)cn1 Amb18617449 [0,1,0,0,0,1|2,0,0]=4 601 B20R2.15240 Nc1ccc(NCCNC(=O)c2ccccc2)nc1 Amb18617336 [0,1,0,0,0,1|2,0,0]=4 602 B20R2.15240 O=C(\C=C/NCc1ccc(F)cc1)c2ccccc2 Amb2386636 [0,1,0,0,0,1|1,0,1]=4 603 B20R2.16036 Nc1ccc(C(=O)CNCCc2ccccc2)cc1 Amb18051496 [0,1,0,0,0,1|1,0,0]=3 604 B20R2.16036 Nc1ccc(C(=O)OCCCc2ccccc2)cc1 Amb17307660 [0,1,0,0,0,1|0,0,0]=2 605 B20R2.16036 Nc1ccc(C(=O)OCCOc2ccccc2)cc1 Amb17307659 [0,1,0,0,0,1|0,0,0]=2 606 B20R2.16036 O=C(CCCSc1ccccc1)c2ccc(F)cc2 Amb9269985 [0,1,0,0,0,1|1,0,0]=3 607 B20R2.16036 O=C(CCCSc1ccccn1)c2ccc(F)cc2 Amb21984546 [0,1,0,0,0,1|2,0,0]=4 608 B20R2.16036 O=C(NCCCc1ccccc1)c2ccc(F)nc2 Amb23976952 [0,1,0,0,0,1|2,0,0]=4 609 B20R2.16036 O=C(OCCCc1ccccc1)c2ccc(O)cc2 Amb2098772 [0,1,0,0,0,1|0,0,0]=2 610 B20R2.16036 O=C(OCCOc1ccccc1)c2ccc(O)cc2 Amb5147155 [0,1,0,0,0,1|0,0,0]=2 611 B20R2.21596 C\C(=C\C(=O)c1ccccc1)NCc2ccccc2 Amb2386635 [0,1,0,0,0,1|1,0,1]=4 612 B20R2.21596 O=C(NC(=S)NCc1ccccc1)c2ccccc2 Amb1206090 [0,1,0,0,0,1|1,0,1]=4 613 B20R2.153924 Nc1cccc(C(=O)CNCCc2ccccc2)c1 Amb18051518 [0,1,0,0,0,1|1,0,0]=3 614 B20R2.153924 Nc1cccc(C(=O)OCCCc2ccccc2)c1 Amb17307675 [0,1,0,0,0,1|0,0,0]=2 615 B20R2.153924 Nc1cccc(C(=O)OCCOc2ccccc2)c1 Amb17307674 [0,1,0,0,0,1|0,0,0]=2 616 B20R2.153924 O=C(NCCSc1ccccc1)c2cncc(Br)c2 Amb6324108 [0,1,0,0,0,1|2,0,0]=4 617 B20R2.153924 O=C(OCCCc1ccccc1)c2cccc(O)c2 Amb2140597 [0,1,0,0,0,1|0,0,0]=2 618 B20R2.174731 C\C(=C\NCc1ccccc1)C(=O)c2ccccc2 Amb2386658 [0,1,0,0,0,1|1,0,1]=4 619 B20R2.8696 Nc1ccccc1NC(=O)CCOc2ccccc2 Amb1135162 [0,1,0,0,0,1|2,0,0]=4 620 B20R2.8696 O=C(NOCc1ccccc1)Nc2ccccc2Br Amb2819033 [0,1,0,0,0,1|2,0,0]=4 621 B20R2.15229 Nc1ccc(CSCC(=O)Nc2ccccc2)cc1 Amb17497012 [0,1,0,0,0,1|2,0,0]=4 622 B20R2.15229 Nc1ccc(SCCC(=O)Nc2ccccc2)cc1 Amb8929999 [0,1,0,0,0,1|2,0,0]=4 623 B20R2.15229 O=C(Nc1ccccc1)O\N=C\c2ccc(Br)cc2 Amb8551930 [0,1,0,0,0,1|1,0,1]=4 624 B20R2.15829 Nc1ccc(NC(=O)CCOc2ccccc2)cc1 Amb1138613 [0,1,0,0,0,1|2,0,0]=4 625 B20R2.15829 O=C(CCCc1ccccc1)Cc2ccc(Cl)cc2 Amb19514772 [0,1,0,0,0,1|1,0,0]=3 626 B20R2.15829 O=C(CCCc1ccccc1)Nc2ccc(Br)cn2 Amb2179057 [0,1,0,0,0,1|2,0,0]=4 627 B20R2.15829 O=C(CCCc1ccccc1)Nc2ccc(F)cc2 Amb1882963 [0,1,0,0,0,1|1,0,0]=3 628 B20R2.15829 O=C(CNCc1ccccc1)Nc2ccc(I)cc2 Amb2754378 [0,1,0,0,0,1|2,0,0]=4 629 B20R2.15829 O=C(NOCc1ccccc1)Nc2ccc(Br)cc2 Amb2819018 [0,1,0,0,0,1|2,0,0]=4 630 B20R2.15829 S=C(NCCc1ccccc1)Nc2ccc(Cl)cc2 Amb6414861 [0,1,0,0,0,1|1,1,0]=4 631 B20R2.21590 O=C(NCc1ccccc1)C(=O)Nc2ccccc2 Amb1781116 [0,1,0,0,0,1|2,0,0]=4 632 B20R2.153664 Cc1cccc(\N=C(\S)NCCc2ccccc2)c1 Amb4153321 [0,1,0,0,0,1|1,1,0]=4 633 B20R2.153664 Nc1cccc(NC(=O)CCOc2ccccc2)c1 Amb1130994 [0,1,0,0,0,1|2,0,0]=4 634 B20R2.2160 O=C(CCc1ccccc1)\C(=N/O)c2ccccc2 Amb17777460 [0,2,0,0,0,0|1,0,1]=4 635 B20R2.170880 O=C(O)C(CCCc1ccccc1)c2ccccc2 Amb2386143 [0,2,0,0,0,0|1,0,1]=4 636 B20R2.130 COc1ccc(C(=O)CNCc2ccccc2)cc1 Amb30982082 [0,2,0,0,0,0|2,0,0]=4 637 B20R2.130 COc1ccc(C(=O)NCCc2ccccc2)cc1 Amb683268 [0,2,0,0,0,0|1,0,0]=3 638 B20R2.130 NCc1ccc(C(=O)NCCc2ccccc2)cc1 Amb1140385 [0,2,0,0,0,0|1,0,0]=3 639 B20R2.130 O=C(NCCc1ccccc1)c2ccc(CBr)cc2 Amb17332735 [0,2,0,0,0,0|1,0,0]=3 640 B20R2.130 O=C(NCCc1ccccn1)c2ccc(CBr)cc2 Amb17327211 [0,2,0,0,0,0|2,0,0]=4 641 B20R2.15224 Cc1ccc(C(=O)CCCc2ccc(F)cc2)cc1 Amb30628560 [0,2,0,0,0,0|1,0,0]=3 642 B20R2.15224 Cc1ccc(C(=O)CCSc2ccc(F)cc2)cc1 Amb2443728 [0,2,0,0,0,0|2,0,0]=4 643 B20R2.15224 Cc1ccc(C(=O)CSCc2ccc(N)cc2)cc1 Amb17498663 [0,2,0,0,0,0|2,0,0]=4 644 B20R2.15224 Cc1ccc(C(=O)NCCc2ccc(N)cc2)cc1 Amb17161938 [0,2,0,0,0,0|1,0,0]=3 645 B20R2.15224 Cc1ccc(CNCC(=O)c2ccc(N)cc2)cc1 Amb18550905 [0,2,0,0,0,0|2,0,0]=4 646 B20R2.15224 Cc1ccc(NCCC(=O)c2ccc(Br)cc2)cc1 Amb2221791 [0,2,0,0,0,0|2,0,0]=4 647 B20R2.15224 Nc1ccc(C(=O)CNCc2ccc(Cl)cc2)cc1 Amb18550921 [0,2,0,0,0,0|2,0,0]=4 648 B20R2.15224 Nc1ccc(C(=O)CNCc2ccc(F)cc2)cc1 Amb18550904 [0,2,0,0,0,0|2,0,0]=4 649 B20R2.15224 Nc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1 Amb17050882 [0,2,0,0,0,0|1,0,0]=3 650 B20R2.15224 Nc1ccc(C(=O)NCCc2ccc(F)cc2)cc1 Amb6252189 [0,2,0,0,0,0|1,0,0]=3 651 B20R2.15224 Nc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1 Amb17168570 [0,2,0,0,0,0|1,0,0]=3 652 B20R2.15224 Nc1ccc(CCNC(=O)c2ccc(F)cc2)cc1 Amb17162898 [0,2,0,0,0,0|1,0,0]=3 653 B20R2.15224 Nc1ccc(CSCC(=O)c2ccc(F)cc2)cc1 Amb17498336 [0,2,0,0,0,0|2,0,0]=4 654 B20R2.15224 O=C(CCCc1ccc(F)cc1)c2ccc(F)cc2 Amb24066072 [0,2,0,0,0,0|1,0,0]=3 655 B20R2.15224 O=C(CCNc1ccc(F)cc1)c2ccc(Br)cc2 Amb2221895 [0,2,0,0,0,0|2,0,0]=4 656 B20R2.15224 O=C(CCSc1ccc(F)cc1)c2ccc(F)cc2 Amb2443732 [0,2,0,0,0,0|2,0,0]=4 657 B20R2.15224 O=C(NCCc1ccc(F)cc1)c2ccc(F)nc2 Amb23976890 [0,2,0,0,0,0|2,0,0]=4 658 B20R2.15224 O=C(NCCc1ccc(O)cc1)c2ccc(Cl)cc2 Amb687481 [0,2,0,0,0,0|1,0,0]=3 659 B20R2.15224 O=C(O\N=C/c1ccc(Br)cc1)c2ccc(F)cc2 Amb6345684 [0,2,0,0,0,0|1,0,1]=4 660 B20R2.15226 CC(NCc1ccccc1)C(=O)c2ccc(N)cc2 Amb18550822 [0,2,0,0,0,0|2,0,0]=4 661 B20R2.15226 CN(CCc1ccccc1)C(=O)c2ccc(N)cc2 Amb17263990 [0,2,0,0,0,0|1,0,0]=3 662 B20R2.15226 CN(CCc1ccncc1)C(=O)c2ccc(Br)cc2 Amb16899576 [0,2,0,0,0,0|2,0,0]=4 663 B20R2.15226 CN(CCc1ccncc1)C(=O)c2ccc(N)cc2 Amb17050878 [0,2,0,0,0,0|2,0,0]=4 664 B20R2.15226 Cc1ccc(C(=O)C(=O)NCc2ccccc2)cc1 Amb11250424 [0,2,0,0,0,0|2,0,0]=4 665 B20R2.15226 O=C(NCc1ccccc1)C(=O)c2ccc(Cl)cc2 Amb17365880 [0,2,0,0,0,0|2,0,0]=4 666 B20R2.15226 O=C(NCc1ccccc1)C(=O)c2ccc(F)cc2 Amb17355978 [0,2,0,0,0,0|2,0,0]=4 667 B20R2.15243 CN(CCC(=O)c1ccc(N)cc1)c2ccccc2 Amb17099136 [0,2,0,0,0,0|2,0,0]=4 668 B20R2.15243 Cc1ccc(C(=O)CNC(=O)c2ccccc2)cc1 Amb17354251 [0,2,0,0,0,0|1,0,1]=4 669 B20R2.15243 Cc1ccc(C(=O)NCC(O)c2ccccc2)cc1 Amb2742411 [0,2,0,0,0,0|1,0,0]=3 670 B20R2.15243 Cc1ccc(C(O)CNC(=O)c2ccccc2)cc1 Amb10731462 [0,2,0,0,0,0|1,0,0]=3 671 B20R2.15243 Cc1ccc(C(O)CNC(=O)c2cccnc2)cc1 Amb10731464 [0,2,0,0,0,0|2,0,0]=4 672 B20R2.15243 N\C(=N/OC(=O)c1ccc(F)cc1)c2ccccc2 Amb6883028 [0,2,0,0,0,0|1,0,1]=4 673 B20R2.15243 Nc1ccc(C(=O)OCC(=O)c2ccccc2)cc1 Amb6450493 [0,2,0,0,0,0|0,0,1]=3 674 B20R2.15243 Nc1ccc(C(=O)OCC(=O)c2ccccn2)cc1 Amb30622375 [0,2,0,0,0,0|1,0,1]=4 675 B20R2.15243 Nc1ccc(C(=O)OCC(=O)c2cccnc2)cc1 Amb30622377 [0,2,0,0,0,0|1,0,1]=4 676 B20R2.15243 Nc1ccc(C(=O)OCC(=O)c2ccncc2)cc1 Amb30622379 [0,2,0,0,0,0|1,0,1]=4 677 B20R2.15243 O=C(CNC(=O)c1ccc(Cl)cc1)c2ccccc2 Amb6468098 [0,2,0,0,0,0|1,0,1]=4 678 B20R2.15243 O=C(CNC(=O)c1ccc(F)cc1)c2ccccc2 Amb6467678 [0,2,0,0,0,0|1,0,1]=4 679 B20R2.15243 O=C(CNC(=O)c1ccccc1)c2ccc(F)cc2 Amb17355977 [0,2,0,0,0,0|1,0,1]=4 680 B20R2.15243 O=C(COC(=O)c1ccc(Cl)cc1)c2ccccc2 Amb6447043 [0,2,0,0,0,0|0,0,1]=3 681 B20R2.15243 O=C(COC(=O)c1ccc(F)cc1)c2ccccc2 Amb6378186 [0,2,0,0,0,0|0,0,1]=3 682 B20R2.15243 O=C(COC(=O)c1ccc(O)cc1)c2ccccc2 Amb6450494 [0,2,0,0,0,0|0,0,1]=3 683 B20R2.15243 O=C(NCC(O)c1ccc(Cl)cc1)c2ccccc2 Amb17367413 [0,2,0,0,0,0|1,0,0]=3 684 B20R2.15243 O=C(NCC(O)c1ccc(Cl)cc1)c2cccnc2 Amb17367952 [0,2,0,0,0,0|2,0,0]=4 685 B20R2.15243 O=C(NCC(O)c1ccc(F)cc1)c2ccccc2 Amb17356878 [0,2,0,0,0,0|1,0,0]=3 686 B20R2.15243 O=C(NCC(O)c1ccc(F)cc1)c2cccnc2 Amb17357421 [0,2,0,0,0,0|2,0,0]=4 687 B20R2.15243 O=C(NCC(O)c1ccccc1)c2ccc(Cl)cc2 Amb8479877 [0,2,0,0,0,0|1,0,0]=3 688 B20R2.15243 O=C(NCC(O)c1ccccc1)c2ccc(F)cc2 Amb9244848 [0,2,0,0,0,0|1,0,0]=3 689 B20R2.15526 Cc1cc(C(=O)NCCc2ccccc2)ccc1N Amb1133948 [0,2,0,0,0,0|1,0,0]=3 690 B20R2.15526 Cc1cc(C(=O)OCCc2ccccc2)ccc1N Amb17307853 [0,2,0,0,0,0|0,0,0]=2 691 B20R2.15526 Cc1ccc(C(=O)NCCc2ccccc2)cc1I Amb6410595 [0,2,0,0,0,0|1,0,0]=3 692 B20R2.15526 Cc1ccc(C(=O)NCCc2ccccc2)cc1N Amb1138618 [0,2,0,0,0,0|1,0,0]=3 693 B20R2.15526 Cc1ccc(C(=O)OCCc2ccccc2)cc1N Amb17307873 [0,2,0,0,0,0|0,0,0]=2 694 B20R2.15526 Nc1cc(C(=O)NCCc2ccccc2)ccc1Cl Amb1126084 [0,2,0,0,0,0|1,0,0]=3 695 B20R2.15526 Nc1cc(C(=O)NCCc2ccccc2)ccc1F Amb9295373 [0,2,0,0,0,0|1,0,0]=3 696 B20R2.15526 Nc1cc(C(=O)OCCc2ccccc2)ccc1Cl Amb17307814 [0,2,0,0,0,0|0,0,0]=2 697 B20R2.15707 Cc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 Amb6347145 [0,2,0,0,0,0|2,0,0]=4 698 B20R2.15707 Cc1ccc(S(=O)(=O)OCCc2ccccc2)cc1 Amb6335471 [0,2,0,0,0,0|1,0,0]=3 699 B20R2.15707 Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 Amb6315787 [0,2,0,0,0,0|2,0,0]=4 700 B20R2.15707 O=S(=O)(NCCc1ccccc1)c2ccc(Cl)cc2 Amb6361278 [0,2,0,0,0,0|2,0,0]=4 701 B20R2.16035 Nc1ccc(C(=O)NCCc2cccc(Cl)c2)cc1 Amb17050892 [0,2,0,0,0,0|1,0,0]=3 702 B20R2.155984 Nc1ccc(C(=O)NCCc2ccccc2)c(Cl)c1 Amb1139164 [0,2,0,0,0,0|1,0,0]=3 703 B20R2.155984 Nc1ccc(C(=O)OCCc2ccccc2)c(Cl)c1 Amb17307796 [0,2,0,0,0,0|0,0,0]=2 704 B20R2.240862 Nc1ccc(C(=O)CNCc2ccccc2F)cc1 Amb18550923 [0,2,0,0,0,0|2,0,0]=4 705 B20R2.240862 Nc1ccc(C(=O)NCCc2ccccc2F)cc1 Amb6249055 [0,2,0,0,0,0|1,0,0]=3 706 B20R2.4651 Nc1cccc(C(=O)NCCc2cccc(Cl)c2)c1 Amb17050853 [0,2,0,0,0,0|1,0,0]=3 707 B20R2.4653 CC(NCC(=O)c1cccc(N)c1)c2ccccc2 Amb18051523 [0,2,0,0,0,0|2,0,0]=4 708 B20R2.4653 CN(CCC(=O)c1cccc(N)c1)c2ccccc2 Amb17227996 [0,2,0,0,0,0|2,0,0]=4 709 B20R2.4653 Cc1cccc(C(=O)NCC(=O)c2ccccc2)c1 Amb3368742 [0,2,0,0,0,0|1,0,1]=4 710 B20R2.4653 Cc1cccc(C(=O)NCC(O)c2ccccc2)c1 Amb8423243 [0,2,0,0,0,0|1,0,0]=3 711 B20R2.4653 Nc1cccc(C(=O)OCC(=O)c2ccccc2)c1 Amb6450495 [0,2,0,0,0,0|0,0,1]=3 712 B20R2.4653 Nc1cccc(C(=O)OCC(=O)c2ccccn2)c1 Amb30622376 [0,2,0,0,0,0|1,0,1]=4 713 B20R2.4653 Nc1cccc(C(=O)OCC(=O)c2cccnc2)c1 Amb30622378 [0,2,0,0,0,0|1,0,1]=4 714 B20R2.4653 Nc1cccc(C(=O)OCC(=O)c2ccncc2)c1 Amb30622380 [0,2,0,0,0,0|1,0,1]=4 715 B20R2.4653 O=C(CNC(=O)c1cccc(Cl)c1)c2ccccc2 Amb17365875 [0,2,0,0,0,0|1,0,1]=4 716 B20R2.4653 O=C(CNC(=O)c1cccc(F)c1)c2ccccc2 Amb17355976 [0,2,0,0,0,0|1,0,1]=4 717 B20R2.4653 O=C(NCC(O)c1ccccc1)c2cccc(Cl)c2 Amb3376558 [0,2,0,0,0,0|1,0,0]=3 718 B20R2.4653 O=C(NCC(O)c1ccccc1)c2cccc(F)c2 Amb9244876 [0,2,0,0,0,0|1,0,0]=3 719 B20R2.71983 Nc1ccccc1C(=O)NCCc2cccc(Cl)c2 Amb9254130 [0,2,0,0,0,0|1,0,0]=3 720 B20R2.3478 O=C(NCCc1ccccn1)c2cccc(CBr)c2 Amb17331726 [0,2,0,0,0,0|2,0,0]=4 721 B20R2.4645 CN(CC(=O)c1cccc(O)c1)Cc2ccccc2 Amb4085632 [0,2,0,0,0,0|2,0,0]=4 722 B20R2.4645 CN(CC(=O)c1cccc(O)c1)Cc2ccccc2 Amb4452932 [0,2,0,0,0,0|2,0,0]=4 723 B20R2.4659 CN(CCc1ccccc1)C(=O)c2cccc(N)c2 Amb17263989 [0,2,0,0,0,0|1,0,0]=3 724 B20R2.4659 CN(CCc1ccncc1)C(=O)c2cccc(N)c2 Amb17050836 [0,2,0,0,0,0|2,0,0]=4 725 B20R2.4726 Cc1c(N)cccc1C(=O)NCCc2ccccc2 Amb1139260 [0,2,0,0,0,0|1,0,0]=3 726 B20R2.4726 Cc1c(N)cccc1C(=O)OCCc2ccccc2 Amb17307918 [0,2,0,0,0,0|0,0,0]=2 727 B20R2.4726 Nc1c(F)cccc1C(=O)NCCc2ccccc2 Amb18937978 [0,2,0,0,0,0|1,0,0]=3 728 B20R2.15228 Cc1ccc(CNCC(=O)c2cccc(N)c2)cc1 Amb18550949 [0,2,0,0,0,0|2,0,0]=4 729 B20R2.15228 Cc1cccc(C(=O)NCCc2ccc(N)cc2)c1 Amb17161937 [0,2,0,0,0,0|1,0,0]=3 730 B20R2.15228 Cc1cccc(C(=O)O\N=C\c2ccc(Br)cc2)c1 Amb6399460 [0,2,0,0,0,0|1,0,1]=4 731 B20R2.15228 Nc1ccc(CCNC(=O)c2cccc(Cl)c2)cc1 Amb17168569 [0,2,0,0,0,0|1,0,0]=3 732 B20R2.15228 Nc1ccc(CCNC(=O)c2cccc(F)c2)cc1 Amb17162897 [0,2,0,0,0,0|1,0,0]=3 733 B20R2.15228 Nc1cccc(C(=O)CNCc2ccc(Cl)cc2)c1 Amb18550966 [0,2,0,0,0,0|2,0,0]=4 734 B20R2.15228 Nc1cccc(C(=O)NCCc2ccc(Cl)cc2)c1 Amb17050840 [0,2,0,0,0,0|1,0,0]=3 735 B20R2.15228 Nc1cccc(C(=O)NCCc2ccc(F)cc2)c1 Amb6251868 [0,2,0,0,0,0|1,0,0]=3 736 B20R2.72089 Nc1cccc(S(=O)(=O)NCCc2ccccc2)c1 Amb1131975 [0,2,0,0,0,0|2,0,0]=4 737 B20R2.72278 Nc1cccc(C(=O)CNCc2ccccc2Cl)c1 Amb18051553 [0,2,0,0,0,0|2,0,0]=4 738 B20R2.72278 Nc1cccc(C(=O)CNCc2ccccc2F)c1 Amb18550969 [0,2,0,0,0,0|2,0,0]=4 739 B20R2.72278 Nc1cccc(C(=O)NCCc2ccccc2F)c1 Amb6244964 [0,2,0,0,0,0|1,0,0]=3 740 B20R2.156507 Nc1ccc(Cl)c(C(=O)NCCc2ccccc2)c1 Amb1127072 [0,2,0,0,0,0|1,0,0]=3 741 B20R2.156507 Nc1ccc(Cl)c(C(=O)OCCc2ccccc2)c1 Amb17307895 [0,2,0,0,0,0|0,0,0]=2 742 B20R2.4789 CN(CCC(=O)c1ccccc1N)c2ccccc2 Amb17227998 [0,2,0,0,0,0|2,0,0]=4 743 B20R2.4789 Cc1ccccc1C(=O)NCC(=O)c2ccccc2 Amb2614908 [0,2,0,0,0,0|1,0,1]=4 744 B20R2.4789 Cc1ccccc1C(=O)NCC(O)c2ccccc2 Amb9244891 [0,2,0,0,0,0|1,0,0]=3 745 B20R2.4789 Nc1ccccc1C(=O)OCC(=O)c2ccccc2 Amb1106968 [0,2,0,0,0,0|0,0,1]=3 746 B20R2.4789 O=C(CNC(=O)c1ccccc1Cl)c2ccccc2 Amb6467681 [0,2,0,0,0,0|1,0,1]=4 747 B20R2.4789 O=C(CNC(=O)c1ccccc1F)c2ccccc2 Amb6467679 [0,2,0,0,0,0|1,0,1]=4 748 B20R2.4789 O=C(COC(=O)c1ccccc1O)c2ccccc2 Amb3318676 [0,2,0,0,0,0|0,0,1]=3 749 B20R2.4789 O=C(NCC(O)c1ccccc1)c2ccccc2Cl Amb9244844 [0,2,0,0,0,0|1,0,0]=3 750 B20R2.4789 O=C(NCC(O)c1ccccc1)c2ccccc2F Amb9244993 [0,2,0,0,0,0|1,0,0]=3 751 B20R2.74830 Nc1ccccc1C(=O)NCCc2ccccc2F Amb1109720 [0,2,0,0,0,0|1,0,0]=3 752 B20R2.4778 CN(CCc1ccccc1)C(=O)c2ccccc2N Amb17263988 [0,2,0,0,0,0|1,0,0]=3 753 B20R2.4778 CN(CCc1ccncc1)C(=O)c2ccccc2N Amb17050805 [0,2,0,0,0,0|2,0,0]=4 754 B20R2.18233 CNc1ccccc1C(=O)NCCc2ccccc2 Amb6538334 [0,2,0,0,0,0|1,0,0]=3 755 B20R2.18233 CNc1ccccc1C(=O)OCCc2ccccc2 Amb19374241 [0,2,0,0,0,0|0,0,0]=2 756 B20R2.18233 O=C(NCCc1ccccc1)c2ccccc2CBr Amb17328644 [0,2,0,0,0,0|1,0,0]=3 757 B20R2.18233 O=C(NCCc1ccccn1)c2ccccc2CBr Amb17329673 [0,2,0,0,0,0|2,0,0]=4 758 B20R2.18233 O=C(NCCc1ccncc1)c2ccccc2CBr Amb17323457 [0,2,0,0,0,0|2,0,0]=4 759 B20R2.95557 Cc1cccc(N)c1C(=O)NCCc2ccccc2 Amb1140948 [0,2,0,0,0,0|1,0,0]=3 760 B20R2.140947 O=S(=O)(NCCc1ccccc1)c2ccccc2Br Amb5309693 [0,2,0,0,0,0|2,0,0]=4 761 B20R2.235908 Cc1ccccc1C(=O)NCCc2ccc(N)cc2 Amb17161936 [0,2,0,0,0,0|1,0,0]=3 762 B20R2.235908 Cc1ccccc1C(=O)O\N=C\c2ccc(Br)cc2 Amb6345680 [0,2,0,0,0,0|1,0,1]=4 763 B20R2.235908 Nc1ccc(CCNC(=O)c2ccccc2Cl)cc1 Amb17168568 [0,2,0,0,0,0|1,0,0]=3 764 B20R2.235908 Nc1ccc(CCNC(=O)c2ccccc2F)cc1 Amb17162896 [0,2,0,0,0,0|1,0,0]=3 765 B20R2.235908 Nc1ccccc1C(=O)NCCc2ccc(Cl)cc2 Amb1111376 [0,2,0,0,0,0|1,0,0]=3 766 B20R2.235908 Nc1ccccc1C(=O)NCCc2ccc(F)cc2 Amb1110097 [0,2,0,0,0,0|1,0,0]=3 767 B20R2.235908 Nc1ccccc1C(=O)NCCc2ccc(O)cc2 Amb24119204 [0,2,0,0,0,0|1,0,0]=3 768 B20R2.235908 Nc1ncccc1C(=O)NCCc2ccc(F)cc2 Amb18937526 [0,2,0,0,0,0|2,0,0]=4 769 B20R2.10843 CC(CNS(=O)(=O)c1ccccc1)c2ccccc2 Amb6870447 [0,2,0,0,0,0|2,0,0]=4 770 B20R2.10843 NC(CCS(=O)(=O)c1ccccc1)c2ccccc2 Amb29847200 [0,2,0,0,0,0|2,0,0]=4 771 B20R2.10843 O=C(CCS(=O)(=O)c1ccccc1)c2ccccc2 Amb21984389 [0,2,0,0,0,0|2,0,0]=4 772 B20R2.10843 O=S(=O)(CCC(O)c1ccccc1)c2ccccc2 Amb21984425 [0,2,0,0,0,0|2,0,0]=4 773 B20R2.29394 CC(NC(=O)C(=O)c1ccccc1)c2ccccc2 Amb17354255 [0,2,0,0,0,0|2,0,0]=4 774 B20R2.29394 CC(NC(=O)c1ccccc1)C(O)c2ccccc2 Amb2258238 [0,2,0,0,0,0|1,0,0]=3 775 B20R2.29394 O=C(NC(Cl)C(=O)c1ccccc1)c2ccccc2 Amb13881231 [0,2,0,0,0,0|1,0,1]=4 776 B20R2.10844 CC(C(=O)c1ccccc1)N(C)Cc2ccccc2 Amb22167304 [0,2,0,0,0,0|2,0,0]=4 777 B20R2.10844 CN(Cc1ccccc1)C(=O)C(=O)c2ccccc2 Amb17354256 [0,2,0,0,0,0|2,0,0]=4 778 B20R2.175092 O=C(CS(=O)(=O)Cc1ccccc1)c2ccccc2 Amb4012048 [0,2,0,0,0,0|2,0,0]=4 779 B20R2.91 COc1ccc(NCCC(=O)c2ccccc2)cc1 Amb3985852 [0,2,0,0,0,0|2,0,0]=4 780 B20R2.4441 O=S(=O)(NCCc1ccc(Br)cc1)c2ccccc2 Amb32410468 [0,2,0,0,0,0|2,0,0]=4 781 B20R2.4441 O=S(=O)(NCCc1ccc(Cl)cc1)c2ccccc2 Amb6338511 [0,2,0,0,0,0|2,0,0]=4 782 B20R2.4441 O=S(=O)(NCCc1ccc(F)cc1)c2ccccc2 Amb6498086 [0,2,0,0,0,0|2,0,0]=4 783 B20R2.15245 CC(SCc1ccc(N)cc1)C(=O)c2ccccc2 Amb17498642 [0,2,0,0,0,0|2,0,0]=4 784 B20R2.15245 Cc1ccc(CNC(=O)C(=O)c2ccccc2)cc1 Amb17354254 [0,2,0,0,0,0|2,0,0]=4 785 B18R2.1508 O=Cc1cccc(OCCc2ccccc2)c1 Amb836321 [0,0,1,1,0,0|2,0,0]=4 786 B18R2.445 O=Cc1ccccc1OCCc2ccccc2 Amb2776824 [0,0,1,1,0,0|2,0,0]=4 787 B18R3.2098 c1ccc(CC2CNc3ccccc32)cc1 Amb17240364 [1,0,0,1,0,0|2,0,0]=4 788 B18R3.2098 c1ccc(CC2NCc3ccccc32)cc1 Amb31117817 [1,0,0,1,0,0|1,0,1]=4 789 B18R3.2098 c1ccc(CN2CCc3ccccc32)cc1 Amb10610016 [1,0,0,1,0,0|1,0,1]=4 790 B18R3.2098 c1ccc(Cn2ccc3ccccc32)cc1 Amb6353698 [1,0,0,1,0,0|2,0,0]=4 791 B18R3.2098 c1ccc(Cn2ncc3ccccc32)cc1 Amb8563492 [1,0,0,1,0,0|2,0,0]=4 792 B18R3.2100 c1ccc(CNC2Cc3ccccc32)cc1 Amb27218139 [1,0,0,1,0,0|1,0,1]=4 793 B18R3.2108 c1ccc(C2=NCCc3ccccc32)cc1 Amb5717737 [1,0,0,1,0,0|1,0,0]=3 794 B18R3.2108 c1ccc(C2=NCCc3ccccc32)cc1 Amb6773288 [1,0,0,1,0,0|1,0,0]=3 795 B18R3.2108 c1ccc(C2CCCc3ccccc32)cc1 Amb32665339 [1,0,0,1,0,0|1,0,1]=4 796 B18R3.2108 c1ccc(C2CCNc3ccccc32)cc1 Amb32670838 [1,0,0,1,0,0|2,0,0]=4 797 B18R3.2108 c1ccc(C2CNCc3ccccc32)cc1 Amb2606131 [1,0,0,1,0,0|1,0,1]=4 798 B18R3.2108 c1ccc(C2CNCc3ccccc32)cc1 Amb329182 [1,0,0,1,0,0|1,0,1]=4 799 B18R3.2108 c1ccc(C2NCCc3ccccc32)cc1 Amb2567931 [1,0,0,1,0,0|1,0,1]=4 800 B18R3.2108 c1ccc([C@@H]2NCCc3ccccc32)cc1 Amb19892402 [1,0,0,1,0,0|1,0,1]=4 801 B18R3.2108 c1ccc([C@H]2NCCc3ccccc32)cc1 Amb8396118 [1,0,0,1,0,0|1,0,1]=4 802 B18R3.2122 c1ccc(CC2OC2c3ccccc3)cc1 Amb9708379 [1,0,0,1,0,0|0,0,1]=3 803 B18R3.2109 c1ccc(C2=NN(c3ccccc3)C2)cc1 Amb17758495 [0,0,0,1,1,0|2,0,0]=4 804 B18R3.2123 c1ccc(C2=Nc3ccccc3SC2)cc1 Amb6805200 [0,0,0,1,1,0|2,0,0]=4 805 B18R3.2123 c1ccc(C2CCc3ccccc3C2)cc1 Amb17844056 [0,0,0,1,1,0|1,0,1]=4 806 B18R3.2123 c1ccc(C2CCc3ccccc3N2)cc1 Amb20667802 [0,0,0,1,1,0|1,0,1]=4 807 B18R3.2123 c1ccc(C2CCc3ccccc3N2)cc1 Amb33546125 [0,0,0,1,1,0|1,0,1]=4 808 B18R3.2123 c1ccc(N2CCc3ccccc3C2)cc1 Amb18452320 [0,0,0,1,1,0|2,0,0]=4 809 B18R3.11551 CC1=CC(c2ccccc2)c3ccccc31 Amb17778891 [0,0,0,1,1,0|1,0,1]=4 810 B18R3.11551 CC1CC(c2ccccc2)c3ccccc31 Amb15693430 [0,0,0,1,1,0|1,0,1]=4 811 B18R3.11551 ClC1=CC(c2ccccc2)c3ccccc31 Amb17778881 [0,0,0,1,1,0|1,0,1]=4 812 B18R3.11551 O=C1C=C(c2ccccc2)c3ccccc31 Amb6360883 [0,0,0,1,1,0|0,0,2]=4 813 B18R3.11551 O=C1CC(c2ccccc2)c3ccccc31 Amb2440340 [0,0,0,1,1,0|0,0,0]=2 814 B18R3.11551 O=C1NC(c2ccccc2)c3ccccc31 Amb842452 [0,0,0,1,1,0|1,0,0]=3 815 B18R3.11551 O=C1OC(c2ccccc2)c3ccccc31 Amb2617108 [0,0,0,1,1,0|0,0,0]=2 816 B18R3.11551 OB1OC(c2ccccc2)c3ccccc31 Amb32669762 [0,0,0,1,1,0|1,0,1]=4 817 B18R3.112707 O=C1C=Cc2ccccc2-c3ccccc31 Amb21948170 [0,0,0,1,1,0|0,0,2]=4 818 B18R3.112707 O=C1OCc2ccccc2-c3ccccc31 Amb4012243 [0,0,0,1,1,0|0,0,0]=2 819 B18R3.1943 O=C(c1ccco1)N2CCc3ccccc32 Amb6338071 [0,0,0,1,1,0|2,0,0]=4 820 B18R3.6433 O=C1CCC(c2ccccc2)n3cccc31 Amb31133255 [0,0,0,1,1,0|2,0,0]=4 821 B18R3.6433 O=C1NCC(c2ccccc2)n3cccc31 Amb22263620 [0,0,0,1,1,0|2,0,0]=4 822 B20R3.2719 c1ccc(CN2CCC(c3ccccc3)=N2)cc1 Amb1834196 [0,0,0,1,0,1|2,0,0]=4 823 B20R3.2719 c1ccc(CN2COC(c3ccccc3)C2)cc1 Amb19929698 [0,0,0,1,0,1|1,0,1]=4 824 B20R3.2931 O=C(CN1CCc2ccccc21)c3ccccc3 Amb9226248 [0,0,0,1,0,1|1,0,0]=3 825 B20R3.2931 O=C(On1nnc2ccccc21)c3ccccc3 Amb10558888 [0,0,0,1,0,1|2,0,0]=4 826 B20R3.13189 O=C1CCN(Cc2ccccc2)c3ccccc31 Amb22011889 [0,0,0,1,0,1|1,0,0]=3 827 B20R3.13189 O=C1N=CN(Cc2ccccc2)c3ccccc31 Amb22752724 [0,0,0,1,0,1|1,0,1]=4 828 B20R3.13189 O=C1NN=C(Cc2ccccc2)c3ccccc31 Amb18123659 [0,0,0,1,0,1|1,0,1]=4 829 B20R3.34883 O=C(c1ccccc1)C2CCCc3ccccc32 Amb22059134 [0,0,0,1,0,1|1,0,0]=3 830 B20R3.34883 O=C(c1ccccc1)N2CCCc3ccccc32 Amb6346778 [0,0,0,1,0,1|1,0,0]=3 831 B20R3.3470528 O=C1OC(NCc2ccccc2)c3ccccc31 Amb1763147 [0,0,0,1,0,1|0,0,0]=2 832 B20R3.3470528 O=C1O[IH2](C#Cc2ccccc2)c3ccccc31 Amb32643914 [0,0,0,1,0,1|0,0,2]=4 833 B20R3.413 O=C1CN(Cc2ccccc2)c3ccccc3N1 Amb1543190 [0,0,0,1,0,1|2,0,0]=4 834 B20R3.500 S=C(Nc1ccccc1)N2CCc3ccccc32 Amb6346504 [0,0,0,1,0,1|1,1,0]=4 835 B20R3.5586 O=C1CSC(c2ccccc2)N1c3ccccc3 Amb2480887 [0,0,0,1,0,1|2,0,0]=4 836 B20R3.5586 O=C1NCC(c2ccccc2)N1c3ccccc3 Amb17409856 [0,0,0,1,0,1|1,0,0]=3 837 B20R3.5586 O=C1NCC(c2ccccn2)N1c3ccccc3 Amb17410051 [0,0,0,1,0,1|2,0,0]=4 838 B20R3.5586 O=C1NCC(c2cccnc2)N1c3ccccc3 Amb17410052 [0,0,0,1,0,1|2,0,0]=4 839 B20R3.5586 O=C1NCC(c2ccncc2)N1c3ccccc3 Amb17410053 [0,0,0,1,0,1|2,0,0]=4 840 B20R3.5586 O=C1OCC(c2ccccc2)=C1c3ccccc3 Amb1104944 [0,0,0,1,0,1|0,0,1]=3 841 B20R3.5687 O=C1CCC(c2ccccc2)c3ccccc3N1 Amb10604273 [0,0,0,1,0,1|1,0,0]=3 842 B20R3.5687 O=C1CNC(c2ccccc2)c3ccccc3N1 Amb19516614 [0,0,0,1,0,1|2,0,0]=4 843 B20R3.5687 O=C1CNC(c2ccccc2)c3ccccc3N1 Amb9175063 [0,0,0,1,0,1|2,0,0]=4 844 B20R3.13142 O=C1Nc2ccccc2\C1=N\Cc3ccccc3 Amb22360106 [0,0,0,1,0,1|2,0,0]=4 845 B20R3.13142 O=C1Oc2ccccc2N1CCc3ccccc3 Amb18526128 [0,0,0,1,0,1|1,0,0]=3 846 B20R3.13142 O=C1Sc2ccccc2N1CCc3ccccc3 Amb18003964 [0,0,0,1,0,1|1,0,0]=3 847 B20R3.13142 Sc1nc2ccccc2n1CCc3ccccc3 Amb6321668 [0,0,0,1,0,1|1,1,0]=4 848 B20R3.16085 O=C(Cc1ccccc1)OC2Cc3ccccc32 Amb17778691 [0,0,0,1,0,1|0,0,0]=2 849 B20R3.30260 c1ccc(CCNc2nc3ccccc3o2)cc1 Amb9885789 [0,0,0,1,0,1|1,0,1]=4 850 B20R3.30260 c1ccc(CCNc2nc3ccccc3s2)cc1 Amb1103980 [0,0,0,1,0,1|1,1,0]=4 851 B20R3.23543 ClCC1=NCC(c2ccccc2)c3ccccc31 Amb10808627 [0,1,0,1,0,0|2,0,0]=4 852 B20R3.82945 O=Cc1cn(Cc2ccccc2)c3ccccc13 Amb6316092 [0,1,0,1,0,0|2,0,0]=4 853 B20R3.82945 O=Cc1nn(Cc2ccccc2)c3ccccc13 Amb26395771 [0,1,0,1,0,0|2,0,0]=4 854 B20R3.613 Cc1ccc(C(=O)N2CCc3ccccc32)cc1 Amb6343842 [0,1,0,1,0,0|1,0,0]=3 855 B20R3.613 Nc1ccc(C(=O)N2CCc3ccccc32)cc1 Amb1129837 [0,1,0,1,0,0|1,0,0]=3 856 B20R3.613 Nc1ccc(C(=O)N2CCc3ccccc32)cn1 Amb33362275 [0,1,0,1,0,0|2,0,0]=4 857 B20R3.613 Nc1ccc(C(=O)N2CCc3ccccc32)nc1 Amb31108236 [0,1,0,1,0,0|2,0,0]=4 858 B20R3.613 Nc1ccc(S(=O)N2CCc3ccccc32)cc1 Amb18880262 [0,1,0,1,0,0|2,0,0]=4 859 B20R3.613 O=C(c1ccc(Br)cc1)N2CCc3ccccc32 Amb6391207 [0,1,0,1,0,0|1,0,0]=3 860 B20R3.613 O=C(c1ccc(Cl)nc1)N2CCc3ccccc32 Amb6245689 [0,1,0,1,0,0|2,0,0]=4 861 B20R3.613 O=C(c1ccc(F)cc1)N2CCc3ccccc32 Amb6347645 [0,1,0,1,0,0|1,0,0]=3 862 B20R3.19396 O=C(c1ccc(F)cc1)C2OC2c3ccccc3 Amb10838352 [0,1,0,1,0,0|2,0,0]=4 863 B20R3.5842 Nc1ccc2c(c1)CCN2C(=O)c3ccccc3 Amb5723576 [0,1,0,1,0,0|1,0,0]=3 864 B20R3.5842 Nc1ccc2c(c1)CCN2C(=O)c3ccccn3 Amb5723574 [0,1,0,1,0,0|2,0,0]=4 865 B20R3.5842 Nc1ccc2c(c1)CCN2C(=O)c3cccnc3 Amb5723575 [0,1,0,1,0,0|2,0,0]=4 866 B20R3.91618 Cc1cccc(NC2OC(=O)c3ccccc32)c1 Amb3193674 [0,1,0,1,0,0|1,0,0]=3 867 B20R3.91618 O=c1nn(Cc2cccc(Cl)c2)c3ccccc13 Amb24080330 [0,1,0,1,0,0|2,0,0]=4 868 B20R3.14336 Nc1cccc(C(=O)N2CCc3ccccc32)c1 Amb1135358 [0,1,0,1,0,0|1,0,0]=3 869 B20R3.14336 Nc1cncc(C(=O)N2CCc3ccccc32)c1 Amb31111592 [0,1,0,1,0,0|2,0,0]=4 870 B20R3.278228 O=C1CCC(c2ccccc2)c3ccc(O)cc31 Amb547769 [0,1,0,1,0,0|1,0,0]=3 871 B20R3.133151 Cc1ccccc1NC2OC(=O)c3ccccc32 Amb3193673 [0,1,0,1,0,0|1,0,0]=3 872 B20R3.251339 Nc1cccc2c1CCN2C(=O)c3ccccc3 Amb18871655 [0,1,0,1,0,0|1,0,0]=3 873 B20R3.251339 Nc1cccc2c1CCN2C(=O)c3cccnc3 Amb18871884 [0,1,0,1,0,0|2,0,0]=4 874 B20R3.3197887 O=C1CCC(c2ccccc2F)c3ccccc31 Amb19958837 [0,1,0,1,0,0|1,0,0]=3 875 B20R3.3197887 O=C1CC[C@@H](c2ccccc2F)c3ccccc31 Amb33801821 [0,1,0,1,0,0|1,0,0]=3 876 B20R3.5709 Cc1ccccc1C(=O)N2CCc3ccccc32 Amb6346622 [0,1,0,1,0,0|1,0,0]=3 877 B20R3.5709 Nc1ccccc1C(=O)N2CCc3ccccc32 Amb6342807 [0,1,0,1,0,0|1,0,0]=3 878 B20R3.5709 O=C(c1cccnc1Cl)N2CCc3ccccc32 Amb3364036 [0,1,0,1,0,0|2,0,0]=4 879 B20R3.13449 O=C1CN(Cc2ccccc2)Cc3ccccc31 Amb22500433 [0,1,0,1,0,0|2,0,0]=4 880 B20R3.13449 O=C1OC(Nc2ccccc2)=Nc3ccccc31 Amb19667494 [0,1,0,1,0,0|1,0,1]=4 881 B20R3.2848659 O=C1CCC(=O)c2ccccc2-c3ccccc31 Amb17596462 [0,1,0,1,0,0|1,0,1]=4 882 B20R3.155 O=C1OC(c2ccccc2)=NC1c3ccccc3 Amb22736838 [0,1,0,1,0,0|1,0,1]=4 883 B20R3.5150482 O=C(CC1(O)Cc2ccccc21)c3ccccc3 Amb17778884 [0,1,0,1,0,0|1,0,0]=3 884 B20R3.87917 O=C1OC(Nc2ccc(Cl)cc2)c3ccccc31 Amb677082 [0,1,0,1,0,0|1,0,0]=3 885 B20R3.87917 O=C1OC(Nc2ccc(F)cc2)c3ccccc31 Amb6355517 [0,1,0,1,0,0|1,0,0]=3 886 B20R3.87917 O=C1O\C(=C/c2ccc(Cl)cc2)c3ccccc31 Amb19515862 [0,1,0,1,0,0|0,0,2]=4 887 B20R3.148620 Nc1ccc2c(c1)N(C(=O)c3ccccc3)CC2 Amb5723590 [0,1,0,1,0,0|1,0,0]=3 888 B20R3.148620 Nc1ccc2c(c1)N(C(=O)c3ccccn3)CC2 Amb5723588 [0,1,0,1,0,0|2,0,0]=4 889 B20R3.148620 Nc1ccc2c(c1)N(C(=O)c3cccnc3)CC2 Amb5723589 [0,1,0,1,0,0|2,0,0]=4 890 B20R3.2753728 Cc1ccc(C2=NOC(=O)c3ccccc32)cc1 Amb20665833 [0,1,0,1,0,0|1,0,1]=4 891 B20R3.1943595 O=C1C(=O)N(Cc2ccccc2)c3ccccc31 Amb6335576 [0,1,0,1,0,0|2,0,0]=4 892 B16R1.688 C\C=C\C=C\NC(=O)OCc1ccccc1 Amb27197139 [0,0,1,0,1,0|1,0,1]=4 893 B16R2.2256 C(=N\Cc1ccccc1)/c2ccccc2 Amb33513282 [1,0,0,0,1,0|1,0,0]=3 894 B16R2.2256 C(=N\Nc1ccccc1)/c2ccccc2 Amb5720542 [1,0,0,0,1,0|2,0,0]=4 895 B16R2.2256 c1ccc(CCCc2ccccc2)cc1 Amb2721029 [1,0,0,0,1,0|0,0,1]=3 896 B16R2.2256 c1ccc(CCCc2ccccn2)cc1 Amb5718975 [1,0,0,0,1,0|1,0,1]=4 897 B16R2.2256 c1ccc(CCNc2ccccc2)cc1 Amb2693183 [1,0,0,0,1,0|1,0,0]=3 898 B16R2.2256 c1ccc(CCOc2ccccc2)cc1 Amb2720867 [1,0,0,0,1,0|0,0,0]=2 899 B16R2.2256 c1ccc(CNCc2ccccc2)cc1 Amb17743700 [1,0,0,0,1,0|1,0,1]=4 900 B16R2.2256 c1ccc(NCCc2ccccn2)cc1 Amb4020684 [1,0,0,0,1,0|2,0,0]=4 901 B16R2.2256 c1ccc(SCCc2ccncc2)cc1 Amb583020 [1,0,0,0,1,0|1,1,0]=4 902 B16R2.2256 c1ccc(SCSc2ccccc2)cc1 Amb2684782 [1,0,0,0,1,0|1,1,0]=4 903 B16R2.88 BrC(Cc1ccccc1)c2ccccc2 Amb9210661 [0,0,0,0,2,0|1,0,1]=4 904 B16R2.88 CN(Cc1ccccc1)c2ccccc2 Amb9787584 [0,0,0,0,2,0|2,0,0]=4 905 B16R2.88 C\C(=N/c1ccccc1)c2ccccc2 Amb17779517 [0,0,0,0,2,0|2,0,0]=4 906 B16R2.88 ClC(Cc1ccccc1)c2ccccc2 Amb9749535 [0,0,0,0,2,0|1,0,1]=4 907 B16R2.88 N=C(Nc1ccccc1)c2ccccc2 Amb1644481 [0,0,0,0,2,0|2,0,0]=4 908 B16R2.88 NC(Cc1ccccc1)c2ccccc2 Amb1657727 [0,0,0,0,2,0|1,0,1]=4 909 B16R2.88 NC(Cc1ccccc1)c2ccccc2 Amb3431767 [0,0,0,0,2,0|1,0,1]=4 910 B16R2.88 NN(Cc1ccccc1)c2ccccc2 Amb3620838 [0,0,0,0,2,0|2,0,0]=4 911 B16R2.88 NN(Cc1ccccc1)c2ccccc2 Amb4397512 [0,0,0,0,2,0|2,0,0]=4 912 B16R2.88 N\C(=N\c1ccccc1)c2ccccc2 Amb3318637 [0,0,0,0,2,0|2,0,0]=4 913 B16R2.88 O=C(C[n+]1ccccc1)c2ccccc2 Amb2228102 [0,0,0,0,2,0|1,0,0]=3 914 B16R2.88 O=C(C[n+]1ccccn1)c2ccccc2 Amb2613471 [0,0,0,0,2,0|2,0,0]=4 915 B16R2.88 O=C(Cc1ccccc1)c2ccccc2 Amb1205838 [0,0,0,0,2,0|0,0,0]=2 916 B16R2.88 O=C(Cc1ccccc1)c2ccccn2 Amb10554500 [0,0,0,0,2,0|1,0,0]=3 917 B16R2.88 O=C(Cc1ccccc1)c2cccnc2 Amb5720532 [0,0,0,0,2,0|1,0,0]=3 918 B16R2.88 O=C(Cc1ccccc1)c2ccncc2 Amb33534977 [0,0,0,0,2,0|1,0,0]=3 919 B16R2.88 O=C(Cc1ccccn1)c2ccccc2 Amb33529218 [0,0,0,0,2,0|1,0,0]=3 920 B16R2.88 O=C(Cc1ccccn1)c2ccccn2 Amb24674460 [0,0,0,0,2,0|2,0,0]=4 921 B16R2.88 O=C(Cc1ccccn1)c2cccnc2 Amb4017162 [0,0,0,0,2,0|2,0,0]=4 922 B16R2.88 O=C(Cc1cccnc1)c2ccccn2 Amb28322331 [0,0,0,0,2,0|2,0,0]=4 923 B16R2.88 O=C(Cc1ccncc1)c2ccccc2 Amb33530368 [0,0,0,0,2,0|1,0,0]=3 924 B16R2.88 O=C(Cc1ccncc1)c2ccccn2 Amb24674461 [0,0,0,0,2,0|2,0,0]=4 925 B16R2.88 O=C(Cc1ccncc1)c2cccnc2 Amb19083421 [0,0,0,0,2,0|2,0,0]=4 926 B16R2.88 O=C(Cc1cnccn1)c2ccccc2 Amb2691341 [0,0,0,0,2,0|2,0,0]=4 927 B16R2.88 O=C(Cc1ncccn1)c2ccccc2 Amb22496154 [0,0,0,0,2,0|2,0,0]=4 928 B16R2.88 O=C(Nc1ccccc1)c2ccccc2 Amb6346347 [0,0,0,0,2,0|1,0,0]=3 929 B16R2.88 O=C(Nc1ccccc1)c2ccccn2 Amb2617913 [0,0,0,0,2,0|2,0,0]=4 930 B16R2.88 O=C(Nc1ccccc1)c2cccnc2 Amb1195992 [0,0,0,0,2,0|2,0,0]=4 931 B16R2.88 O=C(Nc1ccccc1)c2ccncc2 Amb6443347 [0,0,0,0,2,0|2,0,0]=4 932 B16R2.88 O=C(Nc1ccccn1)c2ccccc2 Amb491228 [0,0,0,0,2,0|2,0,0]=4 933 B16R2.88 O=C(Nc1ccccn1)c2ccccc2 Amb7966466 [0,0,0,0,2,0|2,0,0]=4 934 B16R2.88 O=C(Nc1cccnc1)c2ccccc2 Amb3368143 [0,0,0,0,2,0|2,0,0]=4 935 B16R2.88 O=C(Nc1ccncc1)c2ccccc2 Amb2674634 [0,0,0,0,2,0|2,0,0]=4 936 B16R2.88 O=C(Oc1ccccc1)c2ccccc2 Amb2389283 [0,0,0,0,2,0|0,0,0]=2 937 B16R2.88 O=C(Oc1ccccc1)c2cccnc2 Amb4017594 [0,0,0,0,2,0|1,0,0]=3 938 B16R2.88 O=C(Oc1ccccc1)c2ccncc2 Amb4081020 [0,0,0,0,2,0|1,0,0]=3 939 B16R2.88 O=C(Oc1ccccn1)c2ccccc2 Amb2609898 [0,0,0,0,2,0|1,0,0]=3 940 B16R2.88 O=C(Oc1cccnc1)c2ccccc2 Amb2609761 [0,0,0,0,2,0|1,0,0]=3 941 B16R2.88 O=S(Cc1ccccc1)c2ccccc2 Amb2754572 [0,0,0,0,2,0|1,0,0]=3 942 B16R2.88 OC(Cc1ccccc1)c2ccccc2 Amb9704347 [0,0,0,0,2,0|0,0,2]=4 943 B16R2.88 S=C(Nc1ccccc1)c2ccccc2 Amb6337484 [0,0,0,0,2,0|1,1,0]=4 944 B16R2.88 SC(Cc1ccccc1)c2ccccc2 Amb7784738 [0,0,0,0,2,0|0,1,1]=4 945 B16R2.88 [NH2+]=C(Nc1ccccc1)c2ccccc2 Amb33513293 [0,0,0,0,2,0|2,0,0]=4 946 B16R2.88 [NH3+]C(Cc1ccccc1)c2ccccc2 Amb33513302 [0,0,0,0,2,0|1,0,1]=4 947 B16R2.88 [NH3+]N(Cc1ccccc1)c2ccccc2 Amb24113854 [0,0,0,0,2,0|2,0,0]=4 948 B16R2.2238 O=C(CCc1ccccc1)c2ccco2 Amb17237083 [0,0,0,0,2,0|1,0,0]=3 949 B16R2.2238 O=C(CCc1ccccc1)c2cccs2 Amb8850827 [0,0,0,0,2,0|1,0,0]=3 950 B16R2.2238 O=C(CCc1ccccc1)n2ccnc2 Amb17337538 [0,0,0,0,2,0|2,0,0]=4 951 B16R2.2238 O=C(CNc1ccccc1)c2cccs2 Amb17340847 [0,0,0,0,2,0|2,0,0]=4 952 B16R2.2238 O=C(CSc1ccccc1)c2ccco2 Amb9269989 [0,0,0,0,2,0|2,0,0]=4 953 B16R2.2238 O=C(CSc1ccccc1)c2cccs2 Amb3836363 [0,0,0,0,2,0|2,0,0]=4 954 B16R2.2238 O=C(NCc1ccccc1)c2ccco2 Amb2661090 [0,0,0,0,2,0|2,0,0]=4 955 B16R2.2238 O=C(NCc1ccccc1)c2ccoc2 Amb13978558 [0,0,0,0,2,0|2,0,0]=4 956 B16R2.2238 O=C(NCc1ccccc1)c2ccsc2 Amb9678103 [0,0,0,0,2,0|2,0,0]=4 957 B16R2.2238 O=C(OCc1ccccc1)c2ccco2 Amb22753188 [0,0,0,0,2,0|1,0,0]=3 958 B16R2.5767 O=C(CCc1nccs1)c2ccccc2 Amb17242730 [0,0,0,0,2,0|2,0,0]=4 959 B16R2.5767 O=C(CSc1cccs1)c2ccccc2 Amb4330063 [0,0,0,0,2,0|2,0,0]=4 960 B16R2.5767 O=C(NCc1ccco1)c2ccccc2 Amb6318102 [0,0,0,0,2,0|2,0,0]=4 961 B16R2.5767 O=C(OCc1ccco1)c2ccccc2 Amb2716287 [0,0,0,0,2,0|1,0,0]=3 962 B18R2.2525 C(=C\c1ccccc1)/CNCc2ccccc2 Amb1855576 [1,0,0,0,0,1|1,0,0]=3 963 B18R2.2525 C(=C\c1ccccc1)/CNCc2ccccn2 Amb5253622 [1,0,0,0,0,1|2,0,0]=4 964 B18R2.2525 C(=C\c1ccccc1)/CNCc2cccnc2 Amb6352159 [1,0,0,0,0,1|2,0,0]=4 965 B18R2.2525 C(=C\c1ccccc1)/CNCc2ccncc2 Amb22528714 [1,0,0,0,0,1|2,0,0]=4 966 B18R2.2525 C(=C\c1ccccc1)/COCc2ccccc2 Amb35781860 [1,0,0,0,0,1|1,0,0]=3 967 B18R2.2525 c1ccc(CCCCNc2ccccc2)cc1 Amb28728654 [1,0,0,0,0,1|1,0,1]=4 968 B18R2.2525 c1ccc(CCNCCc2ccccc2)cc1 Amb1103723 [1,0,0,0,0,1|1,0,1]=4 969 B18R2.2525 c1ccc(CCNCCc2ccccc2)cc1 Amb2119307 [1,0,0,0,0,1|1,0,1]=4 970 B18R2.2525 c1ccc(CCNOCc2ccccc2)cc1 Amb25231901 [1,0,0,0,0,1|0,0,1]=3 971 B18R2.2525 c1ccc(CNCCNc2ccccc2)cc1 Amb1086650 [1,0,0,0,0,1|1,0,1]=4 972 B18R2.2525 c1ccc(CNCCNc2ccccc2)cc1 Amb24113424 [1,0,0,0,0,1|1,0,1]=4 973 B18R2.2525 c1ccc(CNCNCc2ccccc2)cc1 Amb4004618 [1,0,0,0,0,1|1,0,1]=4 974 B18R2.2525 c1ccc(CNNOCc2ccccc2)cc1 Amb28122329 [1,0,0,0,0,1|1,0,1]=4 975 B18R2.2525 c1ccc(COCCOc2ccccc2)cc1 Amb27767737 [1,0,0,0,0,1|0,0,1]=3 976 B18R2.2525 c1ccc(COCOCc2ccccc2)cc1 Amb8505030 [1,0,0,0,0,1|0,0,1]=3 977 B18R2.2525 c1ccc(CONCCc2cccnc2)cc1 Amb27869722 [1,0,0,0,0,1|1,0,1]=4 978 B18R2.2525 c1ccc(SCCCSc2ccccc2)cc1 Amb6357086 [1,0,0,0,0,1|2,0,0]=4 979 B18R2.7188 O=C(CCOCc1ccccc1)c2ccco2 Amb28384287 [0,0,0,0,1,1|2,0,0]=4 980 B18R2.7188 O=C(CCOCc1ccccc1)c2cccs2 Amb27444724 [0,0,0,0,1,1|2,0,0]=4 981 B18R2.7188 O=C(CCOCc1ccccc1)c2ccsc2 Amb28137208 [0,0,0,0,1,1|2,0,0]=4 982 B18R2.7188 O=C(NCCOc1ccccc1)c2cccs2 Amb6353345 [0,0,0,0,1,1|2,0,0]=4 983 B20R2.10810 O=C(Cc1ccccc1)OCCCc2ccccc2 Amb24056048 [0,0,0,0,0,2|0,0,0]=2 984 B20R2.10810 S=C(NCCSc1ccccc1)Nc2ccccc2 Amb9237544 [0,0,0,0,0,2|1,1,0]=4 985 B20R2.10829 O=C(OCCNCc1ccccc1)c2ccccc2 Amb18266497 [0,0,0,0,0,2|0,0,0]=2 986 B20R2.10829 O=C(OCCNCc1ccccc1)c2cccnc2 Amb18266494 [0,0,0,0,0,2|1,0,0]=3 987 B20R2.10829 O=C(OCCNCc1ccccc1)c2ccncc2 Amb18266493 [0,0,0,0,0,2|1,0,0]=3 988 B20R2.174735 O=C(CCc1ccccc1)NCCc2ccccc2 Amb6879409 [0,0,0,0,0,2|1,0,0]=3 989 B20R2.174735 O=C(CNCc1ccccc1)OCc2ccccc2 Amb27208450 [0,0,0,0,0,2|2,0,0]=4 990 B20R2.174735 O=C(CNc1ccccc1)NCCc2ccccc2 Amb10672204 [0,0,0,0,0,2|1,0,0]=3 991 B20R2.174735 O=C(COCc1ccccc1)OCc2ccccc2 Amb17608937 [0,0,0,0,0,2|2,0,0]=4 992 B20R2.174735 O=C(COc1ccccc1)NCCc2ccccc2 Amb2456829 [0,0,0,0,0,2|1,0,0]=3 993 B20R2.174735 O=C(NCCc1cccnc1)OCc2ccccc2 Amb24337420 [0,0,0,0,0,2|2,0,0]=4 994 B20R2.174735 O=C(NCc1ccccc1)NOCc2ccccc2 Amb10690326 [0,0,0,0,0,2|2,0,0]=4 995 B20R2.174735 O=C(NOCc1ccccc1)OCc2ccccc2 Amb27759444 [0,0,0,0,0,2|2,0,0]=4 996 B20R2.174735 O=C(\C=C\c1ccccc1)OCCc2ccccc2 Amb4030100 [0,0,0,0,0,2|0,0,0]=2 997 B20R2.174735 S=C(NCCc1ccccc1)NCc2ccccc2 Amb2684668 [0,0,0,0,0,2|1,1,0]=4