0 B14R1.156 C#CCOC(=O)NCc1ccccc1 Amb8388819 [0,0,0,0,0,0|1,0,3]=4 1 B14R1.156 C=CCOC(=O)NCc1ccccc1 Amb26382880 [0,0,0,0,0,0|1,0,3]=4 2 B14R1.156 C=CCOC(=O)OCc1ccccc1 Amb27145426 [0,0,0,0,0,0|1,0,3]=4 3 B14R1.156 C=CCOC(=O)\C=C\c1ccccc1 Amb6358001 [0,0,0,0,0,0|0,0,2]=2 4 B14R1.156 CCCCC(=N)NCc1ccccc1 Amb27747036 [0,0,0,0,0,0|3,0,1]=4 5 B14R1.156 CCCCC(=O)NCc1ccccc1 Amb3363781 [0,0,0,0,0,0|2,0,1]=3 6 B14R1.156 CCCNC(=O)CSc1ccccc1 Amb93776 [0,0,0,0,0,0|2,0,1]=3 7 B14R1.156 CCCNC(=O)NCc1ccccc1 Amb2236970 [0,0,0,0,0,0|2,0,1]=3 8 B14R1.156 CCCNC(=O)NNc1ccccc1 Amb27189074 [0,0,0,0,0,0|3,0,0]=3 9 B14R1.156 CCCNC(=S)NNc1ccccc1 Amb27827401 [0,0,0,0,0,0|3,1,0]=4 10 B14R1.156 CCCOC(=O)NCc1ccccc1 Amb3101958 [0,0,0,0,0,0|1,0,1]=2 11 B14R1.156 CCCOC(=O)OCc1ccccc1 Amb27976572 [0,0,0,0,0,0|1,0,1]=2 12 B14R1.156 CCNCC(=O)C#Cc1ccccc1 Amb28142910 [0,0,0,0,0,0|2,0,2]=4 13 B14R1.156 CCNCC(=O)OCc1ccccc1 Amb19079330 [0,0,0,0,0,0|3,0,1]=4 14 B14R1.156 CCOCC(=O)C#Cc1ccccc1 Amb27829374 [0,0,0,0,0,0|2,0,2]=4 15 B14R1.156 CCONC(=O)NCc1ccccc1 Amb27590818 [0,0,0,0,0,0|3,0,1]=4 16 B14R1.156 CCSCC(=O)NCc1ccccc1 Amb28076986 [0,0,0,0,0,0|3,0,1]=4 17 B14R1.156 CNCCC(=O)NCc1ccccc1 Amb19073978 [0,0,0,0,0,0|3,0,1]=4 18 B14R1.156 CNCCC(=O)OCc1ccccc1 Amb19061708 [0,0,0,0,0,0|3,0,1]=4 19 B14R1.156 CNCCC(=O)OCc1ccccc1 Amb33330108 [0,0,0,0,0,0|3,0,1]=4 20 B14R1.156 COCCC(=O)NCc1ccccc1 Amb28384929 [0,0,0,0,0,0|3,0,1]=4 21 B14R1.156 COCNC(=O)OCc1ccccc1 Amb26316850 [0,0,0,0,0,0|3,0,1]=4 22 B14R1.156 CSCCC(=O)NCc1ccccc1 Amb25311912 [0,0,0,0,0,0|3,0,1]=4 23 B14R1.156 N#CCOC(=O)NCc1ccccc1 Amb27876466 [0,0,0,0,0,0|2,0,2]=4 24 B14R1.156 NCCCC(=O)C#Cc1ccccc1 Amb27758109 [0,0,0,0,0,0|2,0,2]=4 25 B14R1.156 NCCCC(=O)NCc1ccccc1 Amb5785143 [0,0,0,0,0,0|3,0,1]=4 26 B14R1.156 NCCCC(=O)OCc1ccccc1 Amb33038335 [0,0,0,0,0,0|3,0,1]=4 27 B14R1.156 NCCCC(=O)OCc1ccccc1 Amb4247412 [0,0,0,0,0,0|3,0,1]=4 28 B14R1.156 NCCCC(=O)OCc1ccccc1 Amb594688 [0,0,0,0,0,0|3,0,1]=4 29 B14R1.156 NCCNC(=O)COc1ccccc1 Amb6247044 [0,0,0,0,0,0|3,0,1]=4 30 B14R1.156 NCCNC(=O)COc1ccccc1 Amb7969460 [0,0,0,0,0,0|3,0,1]=4 31 B14R1.156 NCCNC(=O)NCc1ccccc1 Amb17235652 [0,0,0,0,0,0|3,0,1]=4 32 B14R1.156 NCCNC(=O)OCc1ccccc1 Amb2720022 [0,0,0,0,0,0|3,0,1]=4 33 B14R1.156 NCCNC(=O)OCc1ccccc1 Amb3941558 [0,0,0,0,0,0|3,0,1]=4 34 B14R1.156 NCCOC(=O)NCc1ccccc1 Amb27870655 [0,0,0,0,0,0|2,0,1]=3 35 B14R1.156 O=C(CCCBr)OCc1ccccc1 Amb2413170 [0,0,0,0,0,0|3,0,1]=4 36 B14R1.156 O=C(CCCO)OCc1ccccc1 Amb27877363 [0,0,0,0,0,0|3,0,1]=4 37 B14R1.156 O=C(CCCS)OCc1ccccc1 Amb27171726 [0,0,0,0,0,0|3,0,1]=4 38 B14R1.156 O=C(COc1ccccc1)OCCBr Amb24065427 [0,0,0,0,0,0|2,0,1]=3 39 B14R1.156 O=C(NCCBr)OCc1ccccc1 Amb10608828 [0,0,0,0,0,0|3,0,1]=4 40 B14R1.156 O=C(NCCCl)NCc1ccccc1 Amb9678498 [0,0,0,0,0,0|3,0,1]=4 41 B14R1.156 O=C(NCCCl)OCc1ccccc1 Amb27387761 [0,0,0,0,0,0|3,0,1]=4 42 B14R1.156 O=C(NCCF)OCc1ccccc1 Amb27591394 [0,0,0,0,0,0|3,0,1]=4 43 B14R1.156 O=C(NCCI)OCc1ccccc1 Amb21962791 [0,0,0,0,0,0|3,0,1]=4 44 B14R1.156 O=C(NCCO)NCc1ccccc1 Amb27230491 [0,0,0,0,0,0|3,0,1]=4 45 B14R1.156 O=C(NCCO)OCc1ccccc1 Amb17719245 [0,0,0,0,0,0|3,0,1]=4 46 B14R1.156 O=C(NCCS)NCc1ccccc1 Amb27957788 [0,0,0,0,0,0|3,0,1]=4 47 B14R1.156 O=C(NCc1ccccc1)OCCO Amb24335977 [0,0,0,0,0,0|2,0,1]=3 48 B14R1.156 O=C(\C=C\c1ccccc1)NCCO Amb5799194 [0,0,0,0,0,0|2,0,0]=2 49 B14R1.156 O=CCOC(=O)NCc1ccccc1 Amb28251211 [0,0,0,0,0,0|2,0,2]=4 50 B14R1.156 O=CCOC(=O)OCc1ccccc1 Amb27481625 [0,0,0,0,0,0|2,0,2]=4 51 B13R1.28 BrCCOC\C=C\c1ccccc1 Amb24113552 [1,0,0,0,0,0|1,0,1]=3 52 B13R1.28 CCCCC\C=C\c1cccnc1 Amb2613049 [1,0,0,0,0,0|2,0,1]=4 53 B13R1.28 CCCNC\C=C\c1ccccc1 Amb20673523 [1,0,0,0,0,0|1,0,1]=3 54 B13R1.28 CCCNC\C=C\c1ccccc1 Amb838094 [1,0,0,0,0,0|1,0,1]=3 55 B13R1.28 CCCOCCCc1ccccc1 Amb24063573 [1,0,0,0,0,0|0,0,3]=4 56 B13R1.28 CCNCC\C=C/c1ccccc1 Amb17142949 [1,0,0,0,0,0|2,0,1]=4 57 B13R1.28 NCCSC\C=C\c1ccccc1 Amb9727179 [1,0,0,0,0,0|1,1,1]=4 58 B13R1.28 OCC=C=C\C=C\c1ccccc1 Amb27651709 [1,0,0,0,0,0|2,0,1]=4 59 B13R1.28 OCCNC\C=C\c1ccccc1 Amb1926880 [1,0,0,0,0,0|2,0,1]=4 60 B13R1.28 OCCNC\C=C\c1ccccc1 Amb6864512 [1,0,0,0,0,0|2,0,1]=4 61 B13R1.42 C=C(\C=C\c1ccccc1)CCN Amb33081079 [1,0,0,0,0,0|2,0,0]=3 62 B13R1.42 C=CNC(=O)\C=C\c1ccccc1 Amb26908425 [1,0,0,0,0,0|1,0,2]=4 63 B13R1.42 CC(\C=C\c1ccccc1)CCN Amb33081133 [1,0,0,0,0,0|2,0,1]=4 64 B13R1.42 CCCC(=N)NCc1ccccc1 Amb27973328 [1,0,0,0,0,0|2,0,1]=4 65 B13R1.42 CCCC(=O)C#Cc1ccccc1 Amb17594320 [1,0,0,0,0,0|0,0,2]=3 66 B13R1.42 CCCC(=O)CCc1ccccc1 Amb9031589 [1,0,0,0,0,0|0,0,2]=3 67 B13R1.42 CCCC(=O)CSc1ccccc1 Amb18330492 [1,0,0,0,0,0|1,0,1]=3 68 B13R1.42 CCCC(=O)NCc1ccccc1 Amb2701481 [1,0,0,0,0,0|1,0,1]=3 69 B13R1.42 CCCC(=O)NNc1ccccc1 Amb4081014 [1,0,0,0,0,0|2,0,0]=3 70 B13R1.42 CCCC(=O)NNc1ccncc1 Amb28051157 [1,0,0,0,0,0|3,0,0]=4 71 B13R1.42 CCCC(=O)OCc1ccccc1 Amb6357333 [1,0,0,0,0,0|1,0,1]=3 72 B13R1.42 CCC\C(C)=N\Nc1ccccc1 Amb27806061 [1,0,0,0,0,0|3,0,0]=4 73 B13R1.42 CCC\C(N)=N\Nc1ccccc1 Amb27180324 [1,0,0,0,0,0|3,0,0]=4 74 B13R1.42 CCNC(=O)C#Cc1ccccc1 Amb27230535 [1,0,0,0,0,0|1,0,2]=4 75 B13R1.42 CCNC(=O)CCc1ccccc1 Amb6542498 [1,0,0,0,0,0|1,0,2]=4 76 B13R1.42 CCNC(=O)CNc1ccccc1 Amb6477739 [1,0,0,0,0,0|2,0,1]=4 77 B13R1.42 CCNC(=O)NNc1ccccc1 Amb24710661 [1,0,0,0,0,0|3,0,0]=4 78 B13R1.42 CCNC(=O)OCc1ccccc1 Amb24375743 [1,0,0,0,0,0|2,0,1]=4 79 B13R1.42 CCNC(=O)\C=C\c1ccccc1 Amb3358403 [1,0,0,0,0,0|1,0,0]=2 80 B13R1.42 CCNC(=O)\C=C\c1ccncn1 Amb28051284 [1,0,0,0,0,0|3,0,0]=4 81 B13R1.42 CCNC(=O)\C=C\c1cnccn1 Amb28051285 [1,0,0,0,0,0|3,0,0]=4 82 B13R1.42 CCOC(=O)C#Cc1ccccc1 Amb2721509 [1,0,0,0,0,0|0,0,2]=3 83 B13R1.42 CCOC(=O)C#Cc1ccccn1 Amb24494363 [1,0,0,0,0,0|1,0,2]=4 84 B13R1.42 CCOC(=O)C#Cc1cccnc1 Amb27259063 [1,0,0,0,0,0|1,0,2]=4 85 B13R1.42 CCOC(=O)C#Cc1ccncc1 Amb26471725 [1,0,0,0,0,0|1,0,2]=4 86 B13R1.42 CCOC(=O)CCc1ccccc1 Amb3940133 [1,0,0,0,0,0|0,0,2]=3 87 B13R1.42 CCOC(=O)CCc1ccccn1 Amb5721889 [1,0,0,0,0,0|1,0,2]=4 88 B13R1.42 CCOC(=O)CNc1ccccc1 Amb1025527 [1,0,0,0,0,0|1,0,1]=3 89 B13R1.42 CCOC(=O)CNc1ccccc1 Amb21961619 [1,0,0,0,0,0|1,0,1]=3 90 B13R1.42 CCOC(=O)CNc1ccccn1 Amb18181060 [1,0,0,0,0,0|2,0,1]=4 91 B13R1.42 CCOC(=O)CNc1cccnc1 Amb24180824 [1,0,0,0,0,0|2,0,1]=4 92 B13R1.42 CCOC(=O)CNc1ccncc1 Amb18181061 [1,0,0,0,0,0|2,0,1]=4 93 B13R1.42 CCOC(=O)COc1ccccc1 Amb2687923 [1,0,0,0,0,0|1,0,1]=3 94 B13R1.42 CCOC(=O)COc1ccccn1 Amb22493952 [1,0,0,0,0,0|2,0,1]=4 95 B13R1.42 CCOC(=O)COc1cccnc1 Amb836907 [1,0,0,0,0,0|2,0,1]=4 96 B13R1.42 CCOC(=O)CSc1ccccc1 Amb2408276 [1,0,0,0,0,0|1,0,1]=3 97 B13R1.42 CCOC(=O)CSc1ccccn1 Amb6504909 [1,0,0,0,0,0|2,0,1]=4 98 B13R1.42 CCOC(=O)CSc1cccnc1 Amb24103483 [1,0,0,0,0,0|2,0,1]=4 99 B13R1.42 CCOC(=O)NCc1ccccc1 Amb2736961 [1,0,0,0,0,0|1,0,1]=3 100 B13R1.42 CCOC(=O)NSc1ccccn1 Amb24103464 [1,0,0,0,0,0|3,0,0]=4 101 B13R1.42 CCOC(=O)OCc1ccccc1 Amb27166327 [1,0,0,0,0,0|1,0,1]=3 102 B13R1.42 CCOC(=O)\C=C\c1ccccc1 Amb6296621 [1,0,0,0,0,0|0,0,0]=1 103 B13R1.42 CCOC(=O)\C=C\c1ccccn1 Amb33996583 [1,0,0,0,0,0|1,0,0]=2 104 B13R1.42 CCOC(=O)\C=C\c1cccnc1 Amb15695192 [1,0,0,0,0,0|1,0,0]=2 105 B13R1.42 CCOC(=O)\C=C\c1ccncc1 Amb33870677 [1,0,0,0,0,0|1,0,0]=2 106 B13R1.42 CCOC(=O)\C=N\c1ccccc1 Amb2609189 [1,0,0,0,0,0|1,0,0]=2 107 B13R1.42 CNCC(=O)NCc1ccccc1 Amb21959039 [1,0,0,0,0,0|2,0,1]=4 108 B13R1.42 CNCC(=O)NCc1ccccc1 Amb6276572 [1,0,0,0,0,0|2,0,1]=4 109 B13R1.42 CNCC(=O)OCc1ccccc1 Amb18809175 [1,0,0,0,0,0|2,0,1]=4 110 B13R1.42 CNCC(=O)OCc1ccccc1 Amb21929370 [1,0,0,0,0,0|2,0,1]=4 111 B13R1.42 CNCC(=O)OCc1ccccc1 Amb22002169 [1,0,0,0,0,0|2,0,1]=4 112 B13R1.42 CNCC(=O)\C=C\c1ccccc1 Amb33081764 [1,0,0,0,0,0|1,0,0]=2 113 B13R1.42 CNCC(O)\C=C\c1ccccc1 Amb33081784 [1,0,0,0,0,0|1,0,2]=4 114 B13R1.42 COCC(=O)C#Cc1ccccc1 Amb28199861 [1,0,0,0,0,0|1,0,2]=4 115 B13R1.42 COCC(=O)CSc1ccccc1 Amb32683206 [1,0,0,0,0,0|2,0,1]=4 116 B13R1.42 COCC(=O)NCc1ccccc1 Amb2661100 [1,0,0,0,0,0|2,0,1]=4 117 B13R1.42 CONC(=O)\C=C\c1ccccc1 Amb28064704 [1,0,0,0,0,0|2,0,0]=3 118 B13R1.42 CONC(=O)\C=C\c1ccccn1 Amb27834715 [1,0,0,0,0,0|3,0,0]=4 119 B13R1.42 CSCC(=O)NCc1ccccc1 Amb19382179 [1,0,0,0,0,0|2,0,1]=4 120 B13R1.42 CSCC(=O)OCc1ccccc1 Amb27769587 [1,0,0,0,0,0|2,0,1]=4 121 B13R1.42 C\C=C\C(=O)\C=C\c1ccccc1 Amb28074660 [1,0,0,0,0,0|0,0,2]=3 122 B13R1.42 N#CCC(=O)\C=C\c1ccccc1 Amb27759542 [1,0,0,0,0,0|1,0,1]=3 123 B13R1.42 NC(\C=C\c1ccccc1)CCO Amb32954745 [1,0,0,0,0,0|2,0,1]=4 124 B13R1.42 NCCC(=O)NCc1ccccc1 Amb15740949 [1,0,0,0,0,0|2,0,1]=4 125 B13R1.42 NCCC(=O)NCc1ccccc1 Amb5784981 [1,0,0,0,0,0|2,0,1]=4 126 B13R1.42 NCCC(=O)OCc1ccccc1 Amb33549621 [1,0,0,0,0,0|2,0,1]=4 127 B13R1.42 NCCC(=O)OCc1ccccc1 Amb6740279 [1,0,0,0,0,0|2,0,1]=4 128 B13R1.42 NCCC(=O)\C=C\c1ccccc1 Amb33081763 [1,0,0,0,0,0|1,0,0]=2 129 B13R1.42 NCCC(F)\C=C\c1ccccc1 Amb33081748 [1,0,0,0,0,0|2,0,1]=4 130 B13R1.42 NCCC(O)\C=C\c1ccccc1 Amb33081221 [1,0,0,0,0,0|1,0,2]=4 131 B13R1.42 NCC[C@@H](O)\C=C\c1ccccc1 Amb33080768 [1,0,0,0,0,0|1,0,2]=4 132 B13R1.42 NCC[C@H](O)\C=C\c1ccccc1 Amb33080769 [1,0,0,0,0,0|1,0,2]=4 133 B13R1.42 N\C=C\C(=O)\C=C\c1ccccc1 Amb28385592 [1,0,0,0,0,0|1,0,2]=4 134 B13R1.42 O=C(CCBr)OCc1ccccc1 Amb22232000 [1,0,0,0,0,0|2,0,1]=4 135 B13R1.42 O=C(CCCl)NCc1ccccc1 Amb1931859 [1,0,0,0,0,0|2,0,1]=4 136 B13R1.42 O=C(CCCl)OCc1ccccc1 Amb26951432 [1,0,0,0,0,0|2,0,1]=4 137 B13R1.42 O=C(CCF)OCc1ccccc1 Amb22497154 [1,0,0,0,0,0|2,0,1]=4 138 B13R1.42 O=C(CCO)NCc1ccccc1 Amb17335299 [1,0,0,0,0,0|2,0,1]=4 139 B13R1.42 O=C(CCO)NNc1ccccc1 Amb27180414 [1,0,0,0,0,0|3,0,0]=4 140 B13R1.42 O=C(CCO)OCc1ccccc1 Amb17609079 [1,0,0,0,0,0|2,0,1]=4 141 B13R1.42 O=C(CCS)NCc1ccccc1 Amb27947419 [1,0,0,0,0,0|2,0,1]=4 142 B13R1.42 O=C(CCS)OCc1ccccc1 Amb24495479 [1,0,0,0,0,0|2,0,1]=4 143 B13R1.42 O=C(\C=C/O)\C=C\c1ccccc1 Amb27750264 [1,0,0,0,0,0|1,0,2]=4 144 B13R1.42 O=C(\C=C\c1ccccc1)N=C=S Amb2686558 [1,0,0,0,0,0|2,0,1]=4 145 B13R1.42 O=C(\C=C\c1ccccc1)\C=N\O Amb25065153 [1,0,0,0,0,0|2,0,1]=4 146 B13R1.42 [N-]=[N+]=CC(=O)\C=C\c1ccccc1 Amb20248597 [1,0,0,0,0,0|2,0,1]=4 147 B15R1.78 C#CCCNC(=O)\C=C\c1ccccc1 Amb21942377 [0,1,0,0,0,0|1,0,1]=3 148 B15R1.78 CCCCCC(=O)NCc1ccccc1 Amb3360906 [0,1,0,0,0,0|2,0,1]=4 149 B15R1.78 CCCCCC(=O)OCc1ccccc1 Amb22734264 [0,1,0,0,0,0|2,0,1]=4 150 B15R1.78 CCCCNC(=O)CNc1ccccc1 Amb17140118 [0,1,0,0,0,0|2,0,1]=4 151 B15R1.78 CCCCNC(=O)OCc1ccccc1 Amb3988246 [0,1,0,0,0,0|2,0,1]=4 152 B15R1.78 CCCCOC(=O)NCc1ccccc1 Amb3106123 [0,1,0,0,0,0|1,0,1]=3 153 B15R1.78 CCCCOC(=O)\C=C\c1ccccc1 Amb8392073 [0,1,0,0,0,0|0,0,0]=1 154 B15R1.78 CCCONC(=O)NCc1ccccc1 Amb28326072 [0,1,0,0,0,0|1,0,1]=3 155 B15R1.78 CNCCCC(=O)OCc1ccccc1 Amb27610831 [0,1,0,0,0,0|2,0,1]=4 156 B15R1.78 CNCCNC(=O)OCc1ccccc1 Amb10604122 [0,1,0,0,0,0|2,0,1]=4 157 B15R1.78 CNCCNC(=O)OCc1ccccc1 Amb19889524 [0,1,0,0,0,0|2,0,1]=4 158 B15R1.78 COCCCC(=O)OCc1ccccc1 Amb29838335 [0,1,0,0,0,0|2,0,1]=4 159 B15R1.78 COCCNC(=O)CNc1ccccc1 Amb10613754 [0,1,0,0,0,0|2,0,1]=4 160 B15R1.78 COCCNC(=O)OCc1ccccc1 Amb25866758 [0,1,0,0,0,0|2,0,1]=4 161 B15R1.78 COCCOC(=O)NCc1ccccc1 Amb26637588 [0,1,0,0,0,0|1,0,1]=3 162 B15R1.78 CSCCNC(=O)NCc1ccccc1 Amb27488066 [0,1,0,0,0,0|2,0,1]=4 163 B15R1.78 CSCCNC(=O)OCc1ccccc1 Amb27601087 [0,1,0,0,0,0|2,0,1]=4 164 B15R1.78 NCCCCC(=O)OCc1ccccc1 Amb17608237 [0,1,0,0,0,0|2,0,1]=4 165 B15R1.78 NCCCCC(=O)OCc1ccccc1 Amb24271768 [0,1,0,0,0,0|2,0,1]=4 166 B15R1.78 NCCCCC(=O)OCc1ccccc1 Amb26477625 [0,1,0,0,0,0|2,0,1]=4 167 B15R1.78 NCCCNC(=O)OCc1ccccc1 Amb10844746 [0,1,0,0,0,0|2,0,1]=4 168 B15R1.78 NCCCNC(=O)OCc1ccccc1 Amb2719986 [0,1,0,0,0,0|2,0,1]=4 169 B15R1.78 NCCCNC(=O)\C=C\c1ccccc1 Amb32652076 [0,1,0,0,0,0|1,0,0]=2 170 B15R1.78 NCCCNC(=O)\C=C\c1ccccc1 Amb32652077 [0,1,0,0,0,0|1,0,0]=2 171 B15R1.78 NCCOCC(=O)OCc1ccccc1 Amb27412669 [0,1,0,0,0,0|2,0,1]=4 172 B15R1.78 O=C(CCCCBr)NCc1ccccc1 Amb17274561 [0,1,0,0,0,0|2,0,1]=4 173 B15R1.78 O=C(CCCCO)NCc1ccccc1 Amb8593338 [0,1,0,0,0,0|2,0,1]=4 174 B15R1.78 O=C(CCCCO)OCc1ccccc1 Amb25832761 [0,1,0,0,0,0|2,0,1]=4 175 B15R1.78 O=C(NCCCBr)OCc1ccccc1 Amb10608829 [0,1,0,0,0,0|2,0,1]=4 176 B15R1.78 O=C(NCCCCl)OCc1ccccc1 Amb28343008 [0,1,0,0,0,0|2,0,1]=4 177 B15R1.78 O=C(NCCCF)OCc1ccccc1 Amb28197434 [0,1,0,0,0,0|2,0,1]=4 178 B15R1.78 O=C(NCCCI)OCc1ccccc1 Amb26471798 [0,1,0,0,0,0|2,0,1]=4 179 B15R1.78 O=C(NCCCO)OCc1ccccc1 Amb9273969 [0,1,0,0,0,0|2,0,1]=4 180 B15R1.78 O=C(NCc1ccccc1)OCCCBr Amb28388474 [0,1,0,0,0,0|1,0,1]=3 181 B15R1.78 O=C(\C=C\c1ccccc1)NCCCO Amb5799195 [0,1,0,0,0,0|1,0,0]=2 182 B15R1.78 [NH3+]CCCNC(=O)OCc1ccccc1 Amb22452694 [0,1,0,0,0,0|2,0,1]=4 183 B15R1.115 CCCNC(=O)CN(C)c1ccccc1 Amb13960760 [0,1,0,0,0,0|2,0,1]=4 184 B15R1.115 COCCC(=O)CC(=O)c1ccccc1 Amb8832993 [0,1,0,0,0,0|2,0,1]=4 185 B15R1.115 O=C(CCCO)CC(=O)c1ccccc1 Amb3593281 [0,1,0,0,0,0|2,0,1]=4 186 B15R1.127 C=CCNC(=O)\C=C\c1cccc(N)c1 Amb17139869 [0,1,0,0,0,0|1,0,2]=4 187 B15R1.127 CCCNC(=O)COc1cccc(N)c1 Amb6246955 [0,1,0,0,0,0|2,0,1]=4 188 B15R1.127 CCCNC(=O)\C=C\c1cccc(N)c1 Amb17139962 [0,1,0,0,0,0|1,0,0]=2 189 B15R1.139 CCCNC(=O)COc1ccc(N)cc1 Amb6252433 [0,1,0,0,0,0|2,0,1]=4 190 B15R1.139 Cc1ccc(\C=C\C(=O)NCCN)cc1 Amb18619939 [0,1,0,0,0,0|2,0,0]=3 191 B15R1.551 CCCNC(=O)C(N)Cc1ccccc1 Amb21958680 [0,1,0,0,0,0|1,0,2]=4 192 B15R1.551 CCCNC(=O)C(N)Cc1ccccc1 Amb6257080 [0,1,0,0,0,0|1,0,2]=4 193 B15R1.551 CCCNC(=O)N(C)Cc1ccccc1 Amb2553626 [0,1,0,0,0,0|2,0,1]=4 194 B15R1.551 CCCOC(=O)N(C)Cc1ccccc1 Amb3101963 [0,1,0,0,0,0|1,0,1]=3 195 B15R1.551 NCCNC(=O)C(=O)Nc1ccccc1 Amb8948896 [0,1,0,0,0,0|3,0,0]=4 196 B15R1.551 O=C(NCCO)C(=O)Nc1ccccc1 Amb1813199 [0,1,0,0,0,0|3,0,0]=4 197 B15R1.741 CCC(C)CC(=O)C#Cc1ccccc1 Amb27591778 [0,1,0,0,0,0|1,0,2]=4 198 B15R1.741 CCC(C)OC(=O)NCc1ccccc1 Amb28058365 [0,1,0,0,0,0|1,0,1]=3 199 B15R1.741 CCC(N)CC(=O)C#Cc1ccccc1 Amb28313362 [0,1,0,0,0,0|1,0,2]=4 200 B15R1.741 CCC(N)CC(=O)OCc1ccccc1 Amb27666847 [0,1,0,0,0,0|2,0,1]=4 201 B15R1.741 CCC(O)CC(=O)NCc1ccccc1 Amb27464441 [0,1,0,0,0,0|2,0,1]=4 202 B15R1.741 CCC(O)CC(=O)OCc1ccccc1 Amb32992107 [0,1,0,0,0,0|2,0,1]=4 203 B15R1.741 CC[C@@H](O)CC(=O)OCc1ccccc1 Amb32796104 [0,1,0,0,0,0|2,0,1]=4 204 B15R1.741 CC[C@H](C)OC(=O)NCc1ccccc1 Amb27784877 [0,1,0,0,0,0|1,0,1]=3 205 B15R1.741 COC(=O)CC(=O)\C=C\c1ccccc1 Amb34913397 [0,1,0,0,0,0|2,0,1]=4 206 B15R1.826 CCCC(C)C(=O)C#Cc1ccccc1 Amb27833681 [0,1,0,0,0,0|1,0,2]=4 207 B15R1.826 CCCC(N)C(=O)NCc1ccccc1 Amb9514830 [0,1,0,0,0,0|2,0,1]=4 208 B15R1.826 CCCC(N)C(=O)OCc1ccccc1 Amb23511177 [0,1,0,0,0,0|2,0,1]=4 209 B15R1.826 CCCC(O)C(=O)OCc1ccccc1 Amb27653326 [0,1,0,0,0,0|2,0,1]=4 210 B15R1.826 CCC[C@@H](N)C(=O)C#Cc1ccccc1 Amb35660063 [0,1,0,0,0,0|1,0,2]=4 211 B15R1.826 CCC[C@H](N)C(=O)C#Cc1ccccc1 Amb29891311 [0,1,0,0,0,0|1,0,2]=4 212 B15R1.826 CCC[C@H](N)C(=O)OCc1ccccc1 Amb27751337 [0,1,0,0,0,0|2,0,1]=4 213 B15R1.826 CCOC(=O)C(=O)\C=C\c1cccnc1 Amb33551995 [0,1,0,0,0,0|3,0,0]=4 214 B15R1.5919 CC(C)COC(=O)\C=C\c1ccccc1 Amb4130358 [0,1,0,0,0,0|0,0,0]=1 215 B15R1.5919 CC(N)CNC(=O)NCc1ccccc1 Amb28453764 [0,1,0,0,0,0|2,0,1]=4 216 B15R1.5919 CC(N)CNC(=O)OCc1ccccc1 Amb25678582 [0,1,0,0,0,0|2,0,1]=4 217 B15R1.5919 CC(O)CNC(=O)NCc1ccccc1 Amb27789543 [0,1,0,0,0,0|2,0,1]=4 218 B15R1.5919 CC(S)CCC(=O)OCc1ccccc1 Amb27974968 [0,1,0,0,0,0|2,0,1]=4 219 B15R1.5919 CN(C)\C=C\C(=O)\C=C\c1ccccc1 Amb2386553 [0,1,0,0,0,0|2,0,1]=4 220 B15R1.5919 C[C@@H](N)CNC(=O)OCc1ccccc1 Amb26469780 [0,1,0,0,0,0|2,0,1]=4 221 B15R1.5919 C[C@@H](N)CNC(=O)OCc1ccccc1 Amb33328777 [0,1,0,0,0,0|2,0,1]=4 222 B15R1.5919 C[C@H](N)CNC(=O)OCc1ccccc1 Amb28123101 [0,1,0,0,0,0|2,0,1]=4 223 B15R1.5919 C[C@H](O)CNC(=O)NCc1ccccc1 Amb28206363 [0,1,0,0,0,0|2,0,1]=4 224 B15R1.5919 C[C@H](O)CNC(=O)OCc1ccccc1 Amb27949661 [0,1,0,0,0,0|2,0,1]=4 225 B15R1.5919 O=C(O)CNC(=O)\C=C\c1ccccc1 Amb6665535 [0,1,0,0,0,0|2,0,1]=4 226 B15R1.5934 CCCNS(=O)(=O)\C=C\c1ccccc1 Amb18861 [0,1,0,0,0,0|2,0,0]=3 227 B15R2.16 CCC1=C(c2ccccc2)NC(=N)O1 Amb33548375 [0,0,0,1,0,0|2,0,1]=4 228 B15R2.16 CCC1=C(c2ccccc2)NC(=O)S1 Amb19372954 [0,0,0,1,0,0|1,1,1]=4 229 B15R2.16 CCC1=C(c2ccccn2)NC(=O)O1 Amb28121872 [0,0,0,1,0,0|2,0,1]=4 230 B15R2.16 CCC1NC(=O)CC1c2ccccc2 Amb27976595 [0,0,0,1,0,0|1,0,2]=4 231 B15R2.16 CCC1NC(=O)NC1c2ccccc2 Amb28364418 [0,0,0,1,0,0|2,0,1]=4 232 B15R2.16 CCc1oc(Br)nc1-c2ccccc2 Amb28369201 [0,0,0,1,0,0|2,0,1]=4 233 B15R2.16 CCc1oc(N)nc1-c2ccccc2 Amb6360465 [0,0,0,1,0,0|2,0,1]=4 234 B15R2.16 CO[C@@H]1OC(=O)N[C@H]1c2ccccc2 Amb27221136 [0,0,0,1,0,0|2,0,1]=4 235 B15R2.16 NCC1=C(c2ccccc2)OC(=O)O1 Amb33297549 [0,0,0,1,0,0|2,0,1]=4 236 B15R2.16 NC[C@@H]1OC(=O)N[C@H]1c2ccccc2 Amb27880655 [0,0,0,1,0,0|2,0,1]=4 237 B15R2.16 O=C1C=C(c2ccccc2)\C(=C\F)O1 Amb22497562 [0,0,0,1,0,0|1,0,2]=4 238 B15R2.16 O=C1C[C@@H](c2ccccc2)[C@H](CO)O1 Amb27977898 [0,0,0,1,0,0|1,0,2]=4 239 B15R2.16 O=C1OC(CBr)=C(c2ccccc2)O1 Amb27947546 [0,0,0,1,0,0|2,0,1]=4 240 B15R2.16 O=C1OC(CCl)=C(c2ccccc2)O1 Amb27488592 [0,0,0,1,0,0|2,0,1]=4 241 B15R2.16 O=C1OC(CO)=C(c2ccccc2)O1 Amb27858283 [0,0,0,1,0,0|2,0,1]=4 242 B15R2.16 O=C1O[C@@H](CO)[C@H](c2ccccc2)O1 Amb27218638 [0,0,0,1,0,0|2,0,1]=4 243 B15R2.33 CC1CCC(=O)C=C1c2ccccc2 Amb2226908 [0,0,0,1,0,0|1,0,0]=2 244 B15R2.33 CC1CCC(=O)CC1c2ccccc2 Amb32865311 [0,0,0,1,0,0|1,0,2]=4 245 B15R2.33 CC1CCC(O)C=C1c2ccccc2 Amb27764967 [0,0,0,1,0,0|1,0,2]=4 246 B15R2.33 CC1CNC(=O)NC1c2ccccc2 Amb28409059 [0,0,0,1,0,0|2,0,1]=4 247 B15R2.33 C[C@@H]1CNC(=O)N[C@@H]1c2ccccc2 Amb27450137 [0,0,0,1,0,0|2,0,1]=4 248 B15R2.33 C[C@@H]1COC(=O)N[C@@H]1c2ccccc2 Amb28246373 [0,0,0,1,0,0|1,0,1]=3 249 B15R2.33 NC1CCC(=O)C=C1c2ccccc2 Amb27842433 [0,0,0,1,0,0|2,0,0]=3 250 B15R2.33 N[C@H]1COC(=O)C[C@@H]1c2ccccc2 Amb27790730 [0,0,0,1,0,0|1,0,2]=4 251 B15R2.33 O=C1OCC(Cl)[C@H](c2ccccc2)O1 Amb27169459 [0,0,0,1,0,0|2,0,1]=4 252 B15R2.38 NC1CCCC\C1=C/c2ccccc2 Amb18129720 [0,0,0,1,0,0|2,0,1]=4 253 B15R2.38 O=C1C=CCC\C1=C/c2ccccc2 Amb2386555 [0,0,0,1,0,0|1,0,1]=3 254 B15R2.38 O=C1CCCCC1Cc2ccccc2 Amb3941676 [0,0,0,1,0,0|1,0,2]=4 255 B15R2.38 O=C1CCCCC1Nc2ccccc2 Amb6345715 [0,0,0,1,0,0|2,0,1]=4 256 B15R2.38 O=C1CCCCC1Oc2ccccc2 Amb3193923 [0,0,0,1,0,0|2,0,1]=4 257 B15R2.38 O=C1CCCCC1Sc2ccccc2 Amb3836196 [0,0,0,1,0,0|2,0,1]=4 258 B15R2.38 O=C1CCCCN1Cc2ccccc2 Amb9826065 [0,0,0,1,0,0|2,0,1]=4 259 B15R2.38 O=C1CCCC\C1=C/c2ccccc2 Amb33513197 [0,0,0,1,0,0|1,0,0]=2 260 B15R2.38 O=C1CCCC\C1=C/c2cccnc2 Amb24598643 [0,0,0,1,0,0|2,0,0]=3 261 B15R2.38 O=C1CCCC\C1=C/c2ccncc2 Amb1486636 [0,0,0,1,0,0|2,0,0]=3 262 B15R2.38 O=C1NCCCC1Cc2ccccc2 Amb10564225 [0,0,0,1,0,0|1,0,2]=4 263 B15R2.38 O=C1NCCCC1Oc2ccccc2 Amb27754083 [0,0,0,1,0,0|2,0,1]=4 264 B15R2.38 O=C1NCCCN1Cc2ccccc2 Amb24082235 [0,0,0,1,0,0|2,0,1]=4 265 B15R2.38 O=C1NCCC[C@@H]1Cc2ccccc2 Amb28409013 [0,0,0,1,0,0|1,0,2]=4 266 B15R2.38 O=C1NCCC[C@H]1Cc2ccccc2 Amb27166558 [0,0,0,1,0,0|1,0,2]=4 267 B15R2.38 O=C1NCCC\C1=C/c2ccccc2 Amb8439773 [0,0,0,1,0,0|1,0,0]=2 268 B15R2.38 O=C1OCCC=C1Sc2ccccc2 Amb27470101 [0,0,0,1,0,0|1,0,1]=3 269 B15R2.38 O=C1OCCN=C1Nc2ccccc2 Amb27876401 [0,0,0,1,0,0|2,0,0]=3 270 B15R2.283 CC1NC(\C=C\c2ccccc2)=NO1 Amb27230207 [0,0,0,1,0,0|3,0,0]=4 271 B15R2.352 BrCCCc1ccc2ccccc2c1 Amb26339538 [0,0,0,1,0,0|3,0,0]=4 272 B15R2.352 BrCCCc1ccc2ccccc2n1 Amb33038200 [0,0,0,1,0,0|3,0,0]=4 273 B15R2.352 BrCCOc1ccc2ccccc2c1 Amb2610625 [0,0,0,1,0,0|2,0,0]=3 274 B15R2.352 BrCCOc1ccc2ccncc2c1 Amb24410986 [0,0,0,1,0,0|3,0,0]=4 275 B15R2.352 BrCCOc1ccc2ncccc2c1 Amb17262598 [0,0,0,1,0,0|3,0,0]=4 276 B15R2.352 BrCCSc1ccc2ccccc2n1 Amb27824842 [0,0,0,1,0,0|2,1,0]=4 277 B15R2.352 C#CCOc1ccc2ccccc2c1 Amb3836118 [0,0,0,1,0,0|1,0,2]=4 278 B15R2.352 C=CCOc1ccc2ccccc2c1 Amb3836124 [0,0,0,1,0,0|1,0,2]=4 279 B15R2.352 CCCCc1ccc2ccccc2c1 Amb9787702 [0,0,0,1,0,0|2,0,0]=3 280 B15R2.352 CCCCc1ccc2ccccc2n1 Amb4012109 [0,0,0,1,0,0|2,0,0]=3 281 B15R2.352 CCCCc1cnc2ccccc2c1 Amb27830570 [0,0,0,1,0,0|3,0,0]=4 282 B15R2.352 CCCOc1ccc2ccccc2c1 Amb4011084 [0,0,0,1,0,0|1,0,0]=2 283 B15R2.352 CCCOc1ccc2ccccc2n1 Amb20171237 [0,0,0,1,0,0|1,0,0]=2 284 B15R2.352 CCNCc1ccc2ccccc2c1 Amb6266033 [0,0,0,1,0,0|3,0,0]=4 285 B15R2.352 CCNCc1ccc2ccccc2n1 Amb19373560 [0,0,0,1,0,0|3,0,0]=4 286 B15R2.352 CCNCc1ccc2ccccc2n1 Amb6742542 [0,0,0,1,0,0|3,0,0]=4 287 B15R2.352 CCNSc1ccc2ccccc2n1 Amb27854234 [0,0,0,1,0,0|2,1,0]=4 288 B15R2.352 CNCCc1ccc2ccccc2c1 Amb8853663 [0,0,0,1,0,0|3,0,0]=4 289 B15R2.352 CNCCc1ccc2ccccc2n1 Amb18299521 [0,0,0,1,0,0|3,0,0]=4 290 B15R2.352 CNCCc1ccc2ccccc2n1 Amb32671506 [0,0,0,1,0,0|3,0,0]=4 291 B15R2.352 COCOc1ccc2ccccc2n1 Amb28066084 [0,0,0,1,0,0|2,0,0]=3 292 B15R2.352 ClCCCc1ccc2ccccc2c1 Amb27181357 [0,0,0,1,0,0|3,0,0]=4 293 B15R2.352 ClCCCc1ccc2ccccc2n1 Amb28293470 [0,0,0,1,0,0|3,0,0]=4 294 B15R2.352 ClCCNc1ccc2ccccc2n1 Amb27247812 [0,0,0,1,0,0|3,0,0]=4 295 B15R2.352 ClCCOc1ccc2ccccc2c1 Amb8828442 [0,0,0,1,0,0|2,0,0]=3 296 B15R2.352 ClCCOc1ccc2ncccc2c1 Amb17239671 [0,0,0,1,0,0|3,0,0]=4 297 B15R2.352 ClCCSc1ccc2ccccc2c1 Amb9250177 [0,0,0,1,0,0|2,1,0]=4 298 B15R2.352 FCCNc1ccc2ccccc2n1 Amb27251247 [0,0,0,1,0,0|3,0,0]=4 299 B15R2.352 FCCOc1ccc2ccccc2c1 Amb24562684 [0,0,0,1,0,0|2,0,0]=3 300 B15R2.352 ICCOc1ccc2ccccc2c1 Amb28454505 [0,0,0,1,0,0|2,0,0]=3 301 B15R2.352 N#CCOc1ccc2ccccc2c1 Amb1395353 [0,0,0,1,0,0|2,0,1]=4 302 B15R2.352 NCCCc1ccc2ccccc2c1 Amb18981387 [0,0,0,1,0,0|3,0,0]=4 303 B15R2.352 NCCCc1ccc2ccccc2n1 Amb17578461 [0,0,0,1,0,0|3,0,0]=4 304 B15R2.352 NCCNc1ccc2ccccc2c1 Amb18992219 [0,0,0,1,0,0|3,0,0]=4 305 B15R2.352 NCCNc1ccc2ccccc2n1 Amb33526502 [0,0,0,1,0,0|3,0,0]=4 306 B15R2.352 NCCNc1ccc2ccccc2n1 Amb33552829 [0,0,0,1,0,0|3,0,0]=4 307 B15R2.352 NCCOc1ccc2ccccc2c1 Amb1069042 [0,0,0,1,0,0|2,0,0]=3 308 B15R2.352 NCCOc1ccc2ccccc2c1 Amb6859385 [0,0,0,1,0,0|2,0,0]=3 309 B15R2.352 NCCOc1ccc2ccccc2n1 Amb18296487 [0,0,0,1,0,0|2,0,0]=3 310 B15R2.352 NCCOc1ccc2cccnc2c1 Amb19107899 [0,0,0,1,0,0|3,0,0]=4 311 B15R2.352 NCCOc1ccc2ccncc2c1 Amb18355016 [0,0,0,1,0,0|3,0,0]=4 312 B15R2.352 NCCOc1ccc2ncccc2c1 Amb19107900 [0,0,0,1,0,0|3,0,0]=4 313 B15R2.352 NCCOc1ccc2ncccc2c1 Amb32662376 [0,0,0,1,0,0|3,0,0]=4 314 B15R2.352 NCCOc1cnc2ccccc2c1 Amb25701399 [0,0,0,1,0,0|3,0,0]=4 315 B15R2.352 NCCOc1cnc2ccccc2n1 Amb18297203 [0,0,0,1,0,0|3,0,0]=4 316 B15R2.352 O=CCOc1ccc2ccccc2c1 Amb5731849 [0,0,0,1,0,0|2,0,1]=4 317 B15R2.352 OCCCc1ccc2ccccc2c1 Amb24401038 [0,0,0,1,0,0|3,0,0]=4 318 B15R2.352 OCCCc1ccc2ccccc2n1 Amb20669490 [0,0,0,1,0,0|3,0,0]=4 319 B15R2.352 OCCNc1ccc2ccccc2n1 Amb2618112 [0,0,0,1,0,0|3,0,0]=4 320 B15R2.352 OCCOc1ccc2ccccc2c1 Amb4034898 [0,0,0,1,0,0|2,0,0]=3 321 B15R2.352 OCCOc1ccc2ccccc2n1 Amb27981845 [0,0,0,1,0,0|2,0,0]=3 322 B15R2.352 OCCOc1ccc2ccncc2c1 Amb26891029 [0,0,0,1,0,0|3,0,0]=4 323 B15R2.352 OCCOc1ccc2ncccc2c1 Amb17105029 [0,0,0,1,0,0|3,0,0]=4 324 B15R2.352 OCCOc1cnc2ccccc2n1 Amb2445501 [0,0,0,1,0,0|3,0,0]=4 325 B15R2.352 SCCCc1ccc2ccccc2c1 Amb31132725 [0,0,0,1,0,0|3,0,0]=4 326 B15R2.352 SCCCc1ccc2ccccc2n1 Amb33201029 [0,0,0,1,0,0|3,0,0]=4 327 B15R2.352 SCCOc1ccc2ccccc2c1 Amb17238164 [0,0,0,1,0,0|2,0,0]=3 328 B15R2.352 SCCOc1ccc2cccnc2c1 Amb27824036 [0,0,0,1,0,0|3,0,0]=4 329 B15R2.352 SCCOc1ccc2ncccc2c1 Amb17238467 [0,0,0,1,0,0|3,0,0]=4 330 B15R2.355 CC1=C(Cc2ccccc2)C(=O)CC1 Amb26329510 [0,0,0,1,0,0|1,0,2]=4 331 B15R2.355 CC1=NOC(=O)\C1=C/c2ccccc2 Amb2228119 [0,0,0,1,0,0|1,0,1]=3 332 B15R2.355 CC1CCC(=O)N1Cc2ccccc2 Amb20667833 [0,0,0,1,0,0|2,0,1]=4 333 B15R2.355 C[C@H]1COS(=O)C1Nc2ccccc2 Amb27164928 [0,0,0,1,0,0|2,0,1]=4 334 B15R2.355 NC1COC(=O)C1Cc2ccccc2 Amb27640196 [0,0,0,1,0,0|1,0,2]=4 335 B15R2.355 N[C@H]1COC(=O)[C@@H]1Cc2ccccc2 Amb28252308 [0,0,0,1,0,0|1,0,2]=4 336 B15R2.355 O=C1CNC(=O)\C1=C/c2ccccc2 Amb588831 [0,0,0,1,0,0|2,0,1]=4 337 B15R2.355 O=C1OCC(O)=C1Cc2ccccc2 Amb4011620 [0,0,0,1,0,0|1,0,2]=4 338 B15R2.355 O=C1OCC(O)C1Cc2ccccc2 Amb27662267 [0,0,0,1,0,0|1,0,2]=4 339 B15R2.355 O=C1OC[C@@H](O)[C@@H]1Cc2ccccc2 Amb28287695 [0,0,0,1,0,0|1,0,2]=4 340 B15R2.355 O=C1OC[C@@H](O)[C@H]1Cc2ccccc2 Amb28079119 [0,0,0,1,0,0|1,0,2]=4 341 B15R2.355 O=C1OC[C@H](O)[C@H]1Cc2ccccc2 Amb28079150 [0,0,0,1,0,0|1,0,2]=4 342 B15R2.505 CC1CC1C(=O)NCc2ccccc2 Amb8338086 [0,0,0,1,0,0|2,0,1]=4 343 B15R2.505 C[C@@H]1C[C@H]1C(=O)NCc2ccccc2 Amb27767896 [0,0,0,1,0,0|2,0,1]=4 344 B15R2.505 C[C@H]1CN1C(=O)OCc2ccccc2 Amb33871578 [0,0,0,1,0,0|2,0,1]=4 345 B15R2.543 NC1=NCCNC(c2ccccc2)=C1 Amb4012649 [0,0,0,1,0,0|3,0,0]=4 346 B15R2.543 O=C1C=C(c2ccccc2)CCCC1 Amb27853297 [0,0,0,1,0,0|1,0,0]=2 347 B15R2.543 O=C1C=C(c2ccccc2)NCCC1 Amb27463117 [0,0,0,1,0,0|2,0,0]=3 348 B15R2.543 O=C1C=C(c2ccccc2)NCCN1 Amb5720509 [0,0,0,1,0,0|2,0,0]=3 349 B15R2.543 O=C1C=C(c2cccnc2)NCCN1 Amb33033076 [0,0,0,1,0,0|3,0,0]=4 350 B15R2.543 O=C1CCCC=C(c2ccccc2)N1 Amb27602228 [0,0,0,1,0,0|2,0,1]=4 351 B15R2.543 O=C1CCCCC(c2ccccc2)C1 Amb22059558 [0,0,0,1,0,0|1,0,2]=4 352 B15R2.543 O=C1CCCCC(c2ccccc2)N1 Amb25050480 [0,0,0,1,0,0|2,0,1]=4 353 B15R2.543 O=C1CN(c2ccccc2)CCCN1 Amb25289905 [0,0,0,1,0,0|2,0,1]=4 354 B15R2.543 S=C1C=C(c2ccccc2)NCCN1 Amb27830049 [0,0,0,1,0,0|2,1,0]=4 355 B15R2.2195 C(=C\C1CCCCN1)/c2ccccc2 Amb24437276 [0,0,0,1,0,0|2,0,1]=4 356 B15R2.2195 C(=C\C1CNCCO1)/c2ccccc2 Amb33083004 [0,0,0,1,0,0|2,0,1]=4 357 B15R2.2195 C(=C\C1NCCCO1)/c2ccccc2 Amb26445113 [0,0,0,1,0,0|1,0,1]=3 358 B15R2.2195 C(=C\[C@@H]1CCCCN1)/c2ccccc2 Amb27265801 [0,0,0,1,0,0|2,0,1]=4 359 B15R2.2195 C1=C(\C=C\c2ccccc2)CCNC1 Amb27747179 [0,0,0,1,0,0|3,0,0]=4 360 B15R2.8863 NC1(\C=C\c2ccccc2)CCCC1 Amb33081127 [0,0,0,1,0,0|2,0,1]=4 361 B15R2.9941 CCCN1C(=O)CNc2ccccc21 Amb7172521 [0,0,0,1,0,0|2,0,1]=4 362 B15R2.9941 CCCN1C(=O)COc2ccccc21 Amb2429762 [0,0,0,1,0,0|2,0,1]=4 363 B15R2.9941 CCCc1c(Br)cnc2ccccc12 Amb27986218 [0,0,0,1,0,0|3,0,0]=4 364 B15R2.9941 CCCc1c(O)ccc2cccnc12 Amb28409113 [0,0,0,1,0,0|2,0,1]=4 365 B15R2.9941 CCNc1c(C)ccc2ccccc12 Amb18553378 [0,0,0,1,0,0|3,0,0]=4 366 B15R2.9941 CCNc1c(O)ccc2ccccc12 Amb18054370 [0,0,0,1,0,0|2,0,1]=4 367 B15R2.9941 CCOc1c(I)ccc2ccccc12 Amb8392016 [0,0,0,1,0,0|3,0,0]=4 368 B15R2.9941 CCOc1c(N)ccc2ccccc12 Amb28076113 [0,0,0,1,0,0|3,0,0]=4 369 B15R2.9941 CSCc1c(N)ccc2ccccc12 Amb18654381 [0,0,0,1,0,0|3,0,0]=4 370 B15R2.9941 Cc1ccc2ccccc2c1CCCl Amb28076990 [0,0,0,1,0,0|3,0,0]=4 371 B15R2.9941 Cc1ccc2ccccc2c1CCN Amb17202000 [0,0,0,1,0,0|3,0,0]=4 372 B15R2.9941 Cc1ccc2ccccc2c1CCO Amb25709028 [0,0,0,1,0,0|3,0,0]=4 373 B15R2.9941 NCCN1C(=O)C=Cc2ccccc21 Amb18563358 [0,0,0,1,0,0|2,0,0]=3 374 B15R2.9941 NCCN1C(=O)C=Nc2ccccc21 Amb18949321 [0,0,0,1,0,0|3,0,0]=4 375 B15R2.9941 NCCc1c(F)ccc2ccccc12 Amb24054595 [0,0,0,1,0,0|3,0,0]=4 376 B15R2.9941 NCCc1c(O)ccc2ccccc12 Amb6246482 [0,0,0,1,0,0|2,0,1]=4 377 B15R2.9941 O=C1C=Cc2ccccc2N1CCBr Amb27668220 [0,0,0,1,0,0|2,0,0]=3 378 B15R2.9941 O=C1C=Cc2ccccc2N1CCCl Amb28203241 [0,0,0,1,0,0|2,0,0]=3 379 B15R2.9941 O=C1C=Cc2ccccc2N1CCS Amb27652623 [0,0,0,1,0,0|2,0,0]=3 380 B15R2.9941 O=C1C=Nc2ccccc2N1CCS Amb27652614 [0,0,0,1,0,0|3,0,0]=4 381 B15R2.9941 OCCc1c(O)ccc2ccccc12 Amb26409200 [0,0,0,1,0,0|2,0,1]=4 382 B15R2.9941 Oc1ccc2ccccc2c1CCBr Amb33336334 [0,0,0,1,0,0|2,0,1]=4 383 B15R2.9941 Oc1ccc2ccccc2c1CCS Amb33419909 [0,0,0,1,0,0|2,0,1]=4 384 B15R2.24490 O=C(CNc1ccccc1)N2CCC2 Amb27251600 [0,0,0,1,0,0|2,0,1]=4 385 B15R2.24490 O=C(NCc1ccccc1)N2CCC2 Amb27824618 [0,0,0,1,0,0|2,0,1]=4 386 B15R2.24490 O=C(NNc1ccccc1)C2CCC2 Amb28059221 [0,0,0,1,0,0|3,0,0]=4 387 B15R2.24494 O=C(CNc1ccccc1)NC2CC2 Amb6707008 [0,0,0,1,0,0|2,0,1]=4 388 B15R2.24494 O=C(NCc1ccccc1)OC2CC2 Amb32697658 [0,0,0,1,0,0|1,0,1]=3 389 B15R2.24494 O=C(\C=C\c1ccccc1)NC2CC2 Amb6319559 [0,0,0,1,0,0|1,0,0]=2 390 B15R2.24494 O=C(\C=C\c1cccnc1)NC2CC2 Amb28124070 [0,0,0,1,0,0|2,0,0]=3 391 B15R2.92869 CCCNC(=O)C1Cc2ccccc21 Amb27264299 [0,0,0,1,0,0|1,0,2]=4 392 B13R1.44 C#CCOC(=O)Nc1ccccc1 Amb2505044 [0,0,0,0,1,0|1,0,2]=4 393 B13R1.44 C=CCOC(=O)Nc1ccccc1 Amb24365247 [0,0,0,0,1,0|1,0,2]=4 394 B13R1.44 C=CCOC(=O)Oc1ccccc1 Amb22360640 [0,0,0,0,1,0|1,0,2]=4 395 B13R1.44 CC#COC(=O)Nc1ccccc1 Amb28292693 [0,0,0,0,1,0|1,0,2]=4 396 B13R1.44 CCCCC(=O)Cc1ccccc1 Amb3940684 [0,0,0,0,1,0|1,0,1]=3 397 B13R1.44 CCCCC(=O)Nc1ccccc1 Amb3104073 [0,0,0,0,1,0|2,0,0]=3 398 B13R1.44 CCCCC(=O)Nc1ccccn1 Amb2674630 [0,0,0,0,1,0|3,0,0]=4 399 B13R1.44 CCCCC(=O)Nc1ccncc1 Amb5797736 [0,0,0,0,1,0|3,0,0]=4 400 B13R1.44 CCCCC(=O)Oc1ccccc1 Amb3123544 [0,0,0,0,1,0|2,0,0]=3 401 B13R1.44 CCCNC(=N)Nc1ccccc1 Amb18184209 [0,0,0,0,1,0|3,0,0]=4 402 B13R1.44 CCCNC(=O)Nc1ccccc1 Amb1233730 [0,0,0,0,1,0|2,0,0]=3 403 B13R1.44 CCCNC(=O)Nc1ccccn1 Amb7106868 [0,0,0,0,1,0|3,0,0]=4 404 B13R1.44 CCCNC(=O)Nc1cccnc1 Amb23263124 [0,0,0,0,1,0|3,0,0]=4 405 B13R1.44 CCCNC(=O)Nc1ccncc1 Amb27636320 [0,0,0,0,1,0|3,0,0]=4 406 B13R1.44 CCCOC(=O)Cc1ccccc1 Amb9242897 [0,0,0,0,1,0|0,0,1]=2 407 B13R1.44 CCCOC(=O)Nc1ccccc1 Amb3101936 [0,0,0,0,1,0|1,0,0]=2 408 B13R1.44 CCCOC(=O)Nc1ccccn1 Amb27481583 [0,0,0,0,1,0|2,0,0]=3 409 B13R1.44 CCCOC(=O)Nc1cccnn1 Amb29872454 [0,0,0,0,1,0|3,0,0]=4 410 B13R1.44 CCCOC(=O)Nc1cnccn1 Amb35684699 [0,0,0,0,1,0|3,0,0]=4 411 B13R1.44 CCCOC(=S)Nc1ccccc1 Amb8477119 [0,0,0,0,1,0|1,1,0]=3 412 B13R1.44 CCCSC(=N)Nc1ccccc1 Amb27792011 [0,0,0,0,1,0|2,1,0]=4 413 B13R1.44 CCCSC(=O)Nc1ccccc1 Amb4018339 [0,0,0,0,1,0|1,1,0]=3 414 B13R1.44 CCCSC(=S)Nc1ccccc1 Amb27797240 [0,0,0,0,1,0|1,2,0]=4 415 B13R1.44 CCNCC(=O)Nc1ccccc1 Amb28600287 [0,0,0,0,1,0|3,0,0]=4 416 B13R1.44 CCNCC(=O)Nc1ccccc1 Amb6242927 [0,0,0,0,1,0|3,0,0]=4 417 B13R1.44 CCOCC(=O)Nc1ccccc1 Amb2662084 [0,0,0,0,1,0|3,0,0]=4 418 B13R1.44 CCONC(=O)Nc1ccccc1 Amb2818933 [0,0,0,0,1,0|3,0,0]=4 419 B13R1.44 CCSCC(=O)Cc1ccccc1 Amb9668576 [0,0,0,0,1,0|2,0,1]=4 420 B13R1.44 CNCCC(=O)Nc1ccccc1 Amb15740952 [0,0,0,0,1,0|3,0,0]=4 421 B13R1.44 CNCCC(=O)Nc1ccccc1 Amb9833670 [0,0,0,0,1,0|3,0,0]=4 422 B13R1.44 CNCC\C(C)=C\c1ccccc1 Amb33476406 [0,0,0,0,1,0|3,0,0]=4 423 B13R1.44 COCNC(=O)Nc1ccccc1 Amb350975 [0,0,0,0,1,0|3,0,0]=4 424 B13R1.44 CSCCC(=O)Nc1ccccc1 Amb27260793 [0,0,0,0,1,0|3,0,0]=4 425 B13R1.44 C\C(=C/c1ccccc1)CCCBr Amb33381474 [0,0,0,0,1,0|3,0,0]=4 426 B13R1.44 C\C(=C/c1ccccc1)CCCN Amb32951765 [0,0,0,0,1,0|3,0,0]=4 427 B13R1.44 C\C(=C/c1ccccc1)CCCO Amb33081745 [0,0,0,0,1,0|3,0,0]=4 428 B13R1.44 C\C(=C/c1ccccc1)CCCS Amb33381252 [0,0,0,0,1,0|3,0,0]=4 429 B13R1.44 C\C=C\OC(=O)Nc1ccccc1 Amb27864106 [0,0,0,0,1,0|1,0,2]=4 430 B13R1.44 NCCCC(=O)Nc1ccccc1 Amb13952779 [0,0,0,0,1,0|3,0,0]=4 431 B13R1.44 NCCCC(=O)Nc1ccccc1 Amb5785178 [0,0,0,0,1,0|3,0,0]=4 432 B13R1.44 NCCNC(=O)Cc1ccccc1 Amb33527053 [0,0,0,0,1,0|2,0,1]=4 433 B13R1.44 NCCNC(=O)Cc1ccccc1 Amb6245780 [0,0,0,0,1,0|2,0,1]=4 434 B13R1.44 NCCNC(=O)Nc1ccccc1 Amb10808639 [0,0,0,0,1,0|3,0,0]=4 435 B13R1.44 NCCNC(=O)Nc1ccccc1 Amb15741119 [0,0,0,0,1,0|3,0,0]=4 436 B13R1.44 O=C(CCCCl)Nc1ccccc1 Amb1125144 [0,0,0,0,1,0|3,0,0]=4 437 B13R1.44 O=C(CCCO)Nc1ccccc1 Amb17233533 [0,0,0,0,1,0|3,0,0]=4 438 B13R1.44 O=C(Cc1ccccc1)NCCCl Amb2429404 [0,0,0,0,1,0|2,0,1]=4 439 B13R1.44 O=C(Cc1ccccc1)NCCO Amb2437031 [0,0,0,0,1,0|2,0,1]=4 440 B13R1.44 O=C(Cc1ccccc1)OCCCl Amb24065572 [0,0,0,0,1,0|1,0,1]=3 441 B13R1.44 O=C(NCCCl)Nc1ccccc1 Amb4022682 [0,0,0,0,1,0|3,0,0]=4 442 B13R1.44 O=C(NCCF)Oc1ccccc1 Amb24096857 [0,0,0,0,1,0|3,0,0]=4 443 B13R1.44 O=C(NCCO)Oc1ccccc1 Amb9242398 [0,0,0,0,1,0|3,0,0]=4 444 B13R1.44 O=C(NCCS)Nc1ccccc1 Amb27949630 [0,0,0,0,1,0|3,0,0]=4 445 B13R1.44 O=C(Nc1ccccc1)OCCBr Amb22346582 [0,0,0,0,1,0|2,0,0]=3 446 B13R1.44 O=C(Nc1ccccc1)OCCCl Amb22369350 [0,0,0,0,1,0|2,0,0]=3 447 B13R1.44 O=C(Nc1ccccc1)OCCI Amb28183128 [0,0,0,0,1,0|2,0,0]=3 448 B13R1.44 O=C(Nc1ccccc1)OCCS Amb27782375 [0,0,0,0,1,0|2,0,0]=3 449 B13R1.44 O=C(Nc1ccccc1)SCCCl Amb28384991 [0,0,0,0,1,0|2,1,0]=4 450 B13R1.44 O=C(Nc1ccccn1)OCCO Amb29872188 [0,0,0,0,1,0|3,0,0]=4 451 B13R1.44 O=C(Nc1cccnc1)OCCCl Amb13952803 [0,0,0,0,1,0|3,0,0]=4 452 B13R1.44 O=C(Nc1cccnc1)OCCCl Amb27430538 [0,0,0,0,1,0|3,0,0]=4 453 B13R1.153 CCCOC(=O)NCc1ccco1 Amb3101959 [0,0,0,0,1,0|2,0,1]=4 454 B13R1.153 O=C(\C=C\c1cccs1)NCCO Amb515894 [0,0,0,0,1,0|3,0,0]=4 455 B15R1.157 CCCCC(=O)CNCc1ccccc1 Amb33131583 [0,0,0,0,0,1|1,0,2]=4 456 B15R1.157 CCCOC(=O)CNCc1ccccc1 Amb28422434 [0,0,0,0,0,1|0,0,2]=3 457 B12R1.8 BrCCC\C=C\c1ccccc1 Amb33081215 [2,0,0,0,0,0|1,0,1]=4 458 B12R1.8 BrC\C=C\C=C\c1ccccc1 Amb8394285 [2,0,0,0,0,0|1,0,1]=4 459 B12R1.8 CCCC\C=C/c1ccccc1 Amb22546625 [2,0,0,0,0,0|0,0,1]=3 460 B12R1.8 CCCC\C=C\c1ccccn1 Amb19148732 [2,0,0,0,0,0|1,0,1]=4 461 B12R1.8 CCCO\N=C\c1cccnc1 Amb24068837 [2,0,0,0,0,0|2,0,0]=4 462 B12R1.8 CCC\C=C/Cc1ccccc1 Amb22546636 [2,0,0,0,0,0|0,0,1]=3 463 B12R1.8 CCNC\C=C\c1ccccc1 Amb6864716 [2,0,0,0,0,0|1,0,1]=4 464 B12R1.8 CCNC\C=C\c1ccccc1 Amb837817 [2,0,0,0,0,0|1,0,1]=4 465 B12R1.8 CNCC\C=C\c1ccccc1 Amb32954379 [2,0,0,0,0,0|1,0,1]=4 466 B12R1.8 CO\N=C\C=C\c1ccccc1 Amb27396673 [2,0,0,0,0,0|2,0,0]=4 467 B12R1.8 NCCC\C=C\c1ccccc1 Amb18563531 [2,0,0,0,0,0|1,0,1]=4 468 B12R1.8 NC\C=C\C=C\c1ccccc1 Amb32953332 [2,0,0,0,0,0|1,0,1]=4 469 B12R1.8 OCCC=C=Cc1ccccc1 Amb27972290 [2,0,0,0,0,0|1,0,1]=4 470 B12R1.8 OCCC\C=C\c1ccccc1 Amb33082089 [2,0,0,0,0,0|1,0,1]=4 471 B12R1.8 OCCN\C=C\c1ccccc1 Amb25087866 [2,0,0,0,0,0|2,0,0]=4 472 B12R1.8 OC\C=C\C=C\c1ccccc1 Amb33081530 [2,0,0,0,0,0|1,0,1]=4 473 B12R1.8 SCCC\C=C\c1ccccc1 Amb33081102 [2,0,0,0,0,0|1,0,1]=4 474 B12R1.27 C=C(\C=C\c1ccccc1)CBr Amb33081080 [2,0,0,0,0,0|2,0,0]=4 475 B12R1.27 C=C(\C=C\c1ccccc1)CCl Amb33081096 [2,0,0,0,0,0|2,0,0]=4 476 B12R1.27 C=C(\C=C\c1ccccc1)CN Amb33080787 [2,0,0,0,0,0|2,0,0]=4 477 B12R1.27 C=CC(=O)\C=C\c1ccccc1 Amb33503118 [2,0,0,0,0,0|0,0,2]=4 478 B12R1.27 CCC(=O)C#Cc1ccccc1 Amb10562235 [2,0,0,0,0,0|0,0,2]=4 479 B12R1.27 CCC(=O)CCc1ccccc1 Amb3940674 [2,0,0,0,0,0|0,0,2]=4 480 B12R1.27 CCC(=O)CNc1ccccc1 Amb27643385 [2,0,0,0,0,0|1,0,1]=4 481 B12R1.27 CCC(=O)CSc1ccccc1 Amb4165963 [2,0,0,0,0,0|1,0,1]=4 482 B12R1.27 CCC(=O)NCc1ccccc1 Amb3097295 [2,0,0,0,0,0|1,0,1]=4 483 B12R1.27 CCC(=O)NNc1ccccc1 Amb2720825 [2,0,0,0,0,0|2,0,0]=4 484 B12R1.27 CCC(=O)NOc1ccccc1 Amb27827163 [2,0,0,0,0,0|2,0,0]=4 485 B12R1.27 CCC(=O)OCc1ccccc1 Amb6357157 [2,0,0,0,0,0|1,0,1]=4 486 B12R1.27 CCC(=O)\C=C\c1ccccc1 Amb10565332 [2,0,0,0,0,0|0,0,0]=2 487 B12R1.27 CCC(=O)\C=C\c1ccncc1 Amb25962375 [2,0,0,0,0,0|1,0,0]=3 488 B12R1.27 CCC(O)\C=C\c1ccccc1 Amb22546605 [2,0,0,0,0,0|0,0,2]=4 489 B12R1.27 CCS(=O)\N=C\c1ccccc1 Amb35726562 [2,0,0,0,0,0|2,0,0]=4 490 B12R1.27 CC[C@H](O)\C=C\c1ccccc1 Amb27205385 [2,0,0,0,0,0|0,0,2]=4 491 B12R1.27 CNC(=O)\C=C\c1ccncc1 Amb28454984 [2,0,0,0,0,0|2,0,0]=4 492 B12R1.27 COC(=O)C#Cc1ccccc1 Amb4019367 [2,0,0,0,0,0|0,0,2]=4 493 B12R1.27 COC(=O)CCc1ccccc1 Amb843216 [2,0,0,0,0,0|0,0,2]=4 494 B12R1.27 COC(=O)CNc1ccccc1 Amb33548260 [2,0,0,0,0,0|1,0,1]=4 495 B12R1.27 COC(=O)CNc1ccccc1 Amb6323391 [2,0,0,0,0,0|1,0,1]=4 496 B12R1.27 COC(=O)COc1ccccc1 Amb2689596 [2,0,0,0,0,0|1,0,1]=4 497 B12R1.27 COC(=O)CSc1ccccc1 Amb2689638 [2,0,0,0,0,0|1,0,1]=4 498 B12R1.27 COC(=O)NCc1ccccc1 Amb2746993 [2,0,0,0,0,0|1,0,1]=4 499 B12R1.27 COC(=O)OCc1ccccc1 Amb25034726 [2,0,0,0,0,0|1,0,1]=4 500 B12R1.27 COC(=O)\C=C\c1ccccc1 Amb33716217 [2,0,0,0,0,0|0,0,0]=2 501 B12R1.27 COC(=O)\C=C\c1ccccc1 Amb8515074 [2,0,0,0,0,0|0,0,0]=2 502 B12R1.27 COC(=O)\C=C\c1ccccn1 Amb25036096 [2,0,0,0,0,0|1,0,0]=3 503 B12R1.27 COC(=O)\C=C\c1cccnc1 Amb17844385 [2,0,0,0,0,0|1,0,0]=3 504 B12R1.27 COC(=O)\C=C\c1ccncc1 Amb20668041 [2,0,0,0,0,0|1,0,0]=3 505 B12R1.27 COC(=O)\C=C\c1ccncc1 Amb24074160 [2,0,0,0,0,0|1,0,0]=3 506 B12R1.27 COC(=O)\C=C\c1ccncn1 Amb28069217 [2,0,0,0,0,0|2,0,0]=4 507 B12R1.27 COC(=O)\C=C\c1cnccn1 Amb22524637 [2,0,0,0,0,0|2,0,0]=4 508 B12R1.27 COC(=O)\C=C\c1cncnc1 Amb2698637 [2,0,0,0,0,0|2,0,0]=4 509 B12R1.27 COC(=O)\C=C\c1ncccn1 Amb25337205 [2,0,0,0,0,0|2,0,0]=4 510 B12R1.27 COC(Cl)\C=C\c1ccccc1 Amb26371733 [2,0,0,0,0,0|1,0,1]=4 511 B12R1.27 NCC(=O)\C=C\c1ccccc1 Amb32954851 [2,0,0,0,0,0|1,0,0]=3 512 B12R1.27 NNC(=O)\C=C\c1ccccc1 Amb9817076 [2,0,0,0,0,0|2,0,0]=4 513 B12R1.27 O=C(\C=C\c1ccccc1)CBr Amb17596167 [2,0,0,0,0,0|1,0,0]=3 514 B12R1.27 O=C(\C=C\c1ccccc1)CCl Amb17594640 [2,0,0,0,0,0|1,0,0]=3 515 B12R1.27 O=C(\C=C\c1ccccc1)N[O-] Amb27185829 [2,0,0,0,0,0|2,0,0]=4 516 B14R1.123 CCCCNC\C=C\c1ccccc1 Amb6864531 [1,1,0,0,0,0|1,0,1]=4 517 B14R1.123 CCCCNC\C=C\c1ccccc1 Amb8450614 [1,1,0,0,0,0|1,0,1]=4 518 B14R1.123 COCCNC\C=C\c1ccccc1 Amb1925718 [1,1,0,0,0,0|1,0,1]=4 519 B14R1.123 COCCNC\C=C\c1ccccc1 Amb6865440 [1,1,0,0,0,0|1,0,1]=4 520 B14R1.123 ClCCCOC\C=C\c1ccccc1 Amb24113677 [1,1,0,0,0,0|0,0,1]=3 521 B14R1.123 N#CCCOC\C=C\c1ccccc1 Amb24113652 [1,1,0,0,0,0|0,0,2]=4 522 B14R1.123 OCCCNC\C=C\c1ccccc1 Amb1926882 [1,1,0,0,0,0|1,0,1]=4 523 B14R1.123 OCCCNC\C=C\c1ccccc1 Amb2114455 [1,1,0,0,0,0|1,0,1]=4 524 B14R1.158 CCCNC\C(C)=C\c1ccccc1 Amb19890261 [1,1,0,0,0,0|1,0,1]=4 525 B14R1.158 CCCNC\C(C)=C\c1ccccc1 Amb20673527 [1,1,0,0,0,0|1,0,1]=4 526 B14R1.158 CCCONC(=O)Nc1ccccc1 Amb2818934 [1,1,0,0,0,0|2,0,0]=4 527 B14R1.422 CC(C)CNC\C=C\c1ccccc1 Amb1922701 [1,1,0,0,0,0|1,0,1]=4 528 B14R1.422 CC(C)CNC\C=C\c1ccccc1 Amb6864739 [1,1,0,0,0,0|1,0,1]=4 529 B14R1.422 CC(O)CNC\C=C\c1ccccc1 Amb837929 [1,1,0,0,0,0|1,0,1]=4 530 B14R1.520 CCCC(=O)N\C=C/c1ccccc1 Amb27816219 [1,1,0,0,0,0|2,0,0]=4 531 B14R1.520 CCCC(=O)\C=C\Nc1ccccc1 Amb28040792 [1,1,0,0,0,0|2,0,0]=4 532 B14R1.716 CCC(C)NC\C=C\c1ccccc1 Amb1922704 [1,1,0,0,0,0|1,0,1]=4 533 B14R1.716 CCC(C)NC\C=C\c1ccccc1 Amb6864747 [1,1,0,0,0,0|1,0,1]=4 534 B14R1.29 C=C(NC(=O)CCC)c1ccccc1 Amb28251178 [1,1,0,0,0,0|1,0,0]=3 535 B14R1.29 C=C(NC(=O)OCC)c1ccccc1 Amb27230566 [1,1,0,0,0,0|1,0,0]=3 536 B14R1.29 CCCC(=O)CC(=O)c1ccccc1 Amb17940804 [1,1,0,0,0,0|0,0,1]=3 537 B14R1.29 CCCC(=O)CC(=O)c1ccccn1 Amb19041153 [1,1,0,0,0,0|1,0,1]=4 538 B14R1.29 CCCC(=O)CC(=O)c1cccnc1 Amb19041154 [1,1,0,0,0,0|1,0,1]=4 539 B14R1.29 CCCC(=O)CC(=O)c1ccncc1 Amb19041155 [1,1,0,0,0,0|1,0,1]=4 540 B14R1.29 CCNC(=O)\C=C(\C)c1ccccc1 Amb27792973 [1,1,0,0,0,0|1,0,0]=3 541 B14R1.29 CCNC(=O)\C=C(\Cl)c1ccccc1 Amb27875186 [1,1,0,0,0,0|1,0,0]=3 542 B14R1.29 CCNC(=O)\C=C(\S)c1ccccc1 Amb27162822 [1,1,0,0,0,0|1,0,0]=3 543 B14R1.29 CCOC(=O)CC(=O)c1ccccc1 Amb1212681 [1,1,0,0,0,0|0,0,1]=3 544 B14R1.29 CCOC(=O)CC(=O)c1ccccn1 Amb13951245 [1,1,0,0,0,0|1,0,1]=4 545 B14R1.29 CCOC(=O)CC(=O)c1ccccn1 Amb33528912 [1,1,0,0,0,0|1,0,1]=4 546 B14R1.29 CCOC(=O)CC(=O)c1cccnc1 Amb1647670 [1,1,0,0,0,0|1,0,1]=4 547 B14R1.29 CCOC(=O)CC(=O)c1cccnc1 Amb6891797 [1,1,0,0,0,0|1,0,1]=4 548 B14R1.29 CCOC(=O)CC(=O)c1ccncc1 Amb33528914 [1,1,0,0,0,0|1,0,1]=4 549 B14R1.29 CCOC(=O)CC(N)c1ccccc1 Amb4246797 [1,1,0,0,0,0|0,0,2]=4 550 B14R1.29 CCOC(=O)CC(N)c1ccccc1 Amb595536 [1,1,0,0,0,0|0,0,2]=4 551 B14R1.29 CCOC(=O)CC(O)c1ccccc1 Amb4017744 [1,1,0,0,0,0|0,0,2]=4 552 B14R1.29 CCOC(=O)CC([NH3+])c1ccccc1 Amb5722513 [1,1,0,0,0,0|0,0,2]=4 553 B14R1.29 CCOC(=O)C[C@@H](N)c1ccccc1 Amb19051013 [1,1,0,0,0,0|0,0,2]=4 554 B14R1.29 CCOC(=O)C[C@@H](N)c1ccccc1 Amb8516393 [1,1,0,0,0,0|0,0,2]=4 555 B14R1.29 CCOC(=O)C[C@@H](O)c1ccccc1 Amb10070415 [1,1,0,0,0,0|0,0,2]=4 556 B14R1.29 CCOC(=O)C[C@H](N)c1ccccc1 Amb6365658 [1,1,0,0,0,0|0,0,2]=4 557 B14R1.29 CCOC(=O)C[C@H](O)c1ccccc1 Amb6356330 [1,1,0,0,0,0|0,0,2]=4 558 B14R1.29 CCOC(=O)NC(=N)c1ccccc1 Amb4057355 [1,1,0,0,0,0|1,0,0]=3 559 B14R1.29 CCOC(=O)NC(=O)c1ccccc1 Amb2682787 [1,1,0,0,0,0|1,0,0]=3 560 B14R1.29 CCOC(=O)NC(=S)c1cccnc1 Amb10559604 [1,1,0,0,0,0|2,0,0]=4 561 B14R1.29 CCOC(=O)\C=C(/C)c1ccccc1 Amb8391067 [1,1,0,0,0,0|0,0,0]=2 562 B14R1.29 CCOC(=O)\C=C(/N)c1ccccn1 Amb34912764 [1,1,0,0,0,0|1,0,0]=3 563 B14R1.29 CCOC(=O)\C=C(\C)c1ccccc1 Amb10566527 [1,1,0,0,0,0|0,0,0]=2 564 B14R1.29 CCOC(=O)\C=C(\C)c1ccccn1 Amb33493051 [1,1,0,0,0,0|1,0,0]=3 565 B14R1.29 CCOC(=O)\C=C(\C)c1cccnc1 Amb33493054 [1,1,0,0,0,0|1,0,0]=3 566 B14R1.29 CCOC(=O)\C=C(\C)c1ccncc1 Amb33493053 [1,1,0,0,0,0|1,0,0]=3 567 B14R1.29 CCOC(=O)\C=C(\C)c1cnccn1 Amb33493147 [1,1,0,0,0,0|2,0,0]=4 568 B14R1.29 CCOC(=S)NC(=O)c1ccccc1 Amb1641309 [1,1,0,0,0,0|1,1,0]=4 569 B14R1.29 COCC(=O)CC(=O)c1ccccc1 Amb33291406 [1,1,0,0,0,0|1,0,1]=4 570 B14R1.32 CCCC(=O)CSc1cccc(Br)c1 Amb32683086 [1,1,0,0,0,0|1,0,1]=4 571 B14R1.32 CCCC(=O)CSc1cccc(C)c1 Amb32683103 [1,1,0,0,0,0|1,0,1]=4 572 B14R1.32 CCCC(=O)CSc1cccc(Cl)c1 Amb32683094 [1,1,0,0,0,0|1,0,1]=4 573 B14R1.32 CCCC(=O)CSc1cccc(F)c1 Amb32683098 [1,1,0,0,0,0|1,0,1]=4 574 B14R1.32 CCNC(=O)\C=C\c1cccc(Br)c1 Amb9786534 [1,1,0,0,0,0|1,0,0]=3 575 B14R1.32 CCNC(=O)\C=C\c1cccc(C)c1 Amb28364222 [1,1,0,0,0,0|1,0,0]=3 576 B14R1.32 CCNC(=O)\C=C\c1cccc(N)c1 Amb17139254 [1,1,0,0,0,0|1,0,0]=3 577 B14R1.32 CCOC(=O)C#Cc1cccc(Br)c1 Amb27603325 [1,1,0,0,0,0|0,0,2]=4 578 B14R1.32 CCOC(=O)C#Cc1cccc(C)c1 Amb24450274 [1,1,0,0,0,0|0,0,2]=4 579 B14R1.32 CCOC(=O)C#Cc1cccc(Cl)c1 Amb24093911 [1,1,0,0,0,0|0,0,2]=4 580 B14R1.32 CCOC(=O)C#Cc1cccc(F)c1 Amb24063534 [1,1,0,0,0,0|0,0,2]=4 581 B14R1.32 CCOC(=O)C#Cc1cccc(N)c1 Amb25088348 [1,1,0,0,0,0|0,0,2]=4 582 B14R1.32 CCOC(=O)C#Cc1cccc(O)c1 Amb25814600 [1,1,0,0,0,0|0,0,2]=4 583 B14R1.32 CCOC(=O)CCc1cccc(Br)c1 Amb22232484 [1,1,0,0,0,0|0,0,2]=4 584 B14R1.32 CCOC(=O)CCc1cccc(C)c1 Amb19073886 [1,1,0,0,0,0|0,0,2]=4 585 B14R1.32 CCOC(=O)CCc1cccc(Cl)c1 Amb34130702 [1,1,0,0,0,0|0,0,2]=4 586 B14R1.32 CCOC(=O)CCc1cccc(N)c1 Amb22396481 [1,1,0,0,0,0|0,0,2]=4 587 B14R1.32 CCOC(=O)CCc1cccc(N)c1 Amb33623730 [1,1,0,0,0,0|0,0,2]=4 588 B14R1.32 CCOC(=O)CCc1cccc(O)c1 Amb19515925 [1,1,0,0,0,0|0,0,2]=4 589 B14R1.32 CCOC(=O)CNc1cccc(Br)c1 Amb6712281 [1,1,0,0,0,0|1,0,1]=4 590 B14R1.32 CCOC(=O)CNc1cccc(C)c1 Amb6706759 [1,1,0,0,0,0|1,0,1]=4 591 B14R1.32 CCOC(=O)CNc1cccc(Cl)c1 Amb4086541 [1,1,0,0,0,0|1,0,1]=4 592 B14R1.32 CCOC(=O)CNc1cccc(F)c1 Amb6711936 [1,1,0,0,0,0|1,0,1]=4 593 B14R1.32 CCOC(=O)COc1cccc(Br)c1 Amb6548212 [1,1,0,0,0,0|1,0,1]=4 594 B14R1.32 CCOC(=O)COc1cccc(Cl)c1 Amb2574396 [1,1,0,0,0,0|1,0,1]=4 595 B14R1.32 CCOC(=O)COc1cccc(F)c1 Amb7755237 [1,1,0,0,0,0|1,0,1]=4 596 B14R1.32 CCOC(=O)COc1cccc(I)c1 Amb8830746 [1,1,0,0,0,0|1,0,1]=4 597 B14R1.32 CCOC(=O)COc1cccc(N)c1 Amb1119292 [1,1,0,0,0,0|1,0,1]=4 598 B14R1.32 CCOC(=O)CSc1cccc(Br)c1 Amb30588432 [1,1,0,0,0,0|1,0,1]=4 599 B14R1.32 CCOC(=O)CSc1cccc(N)c1 Amb30622814 [1,1,0,0,0,0|1,0,1]=4 600 B14R1.32 CCOC(=O)\C=C\c1cc(Cl)ccn1 Amb33469204 [1,1,0,0,0,0|1,0,0]=3 601 B14R1.32 CCOC(=O)\C=C\c1cccc(Br)c1 Amb23504994 [1,1,0,0,0,0|0,0,0]=2 602 B14R1.32 CCOC(=O)\C=C\c1cccc(Br)n1 Amb33469169 [1,1,0,0,0,0|1,0,0]=3 603 B14R1.32 CCOC(=O)\C=C\c1cccc(C)c1 Amb10566723 [1,1,0,0,0,0|0,0,0]=2 604 B14R1.32 CCOC(=O)\C=C\c1cccc(Cl)c1 Amb23504715 [1,1,0,0,0,0|0,0,0]=2 605 B14R1.32 CCOC(=O)\C=C\c1cccc(F)c1 Amb2699676 [1,1,0,0,0,0|0,0,0]=2 606 B14R1.32 CCOC(=O)\C=C\c1cccc(N)c1 Amb24061861 [1,1,0,0,0,0|0,0,0]=2 607 B14R1.32 CCOC(=O)\C=C\c1cccc(O)c1 Amb18651075 [1,1,0,0,0,0|0,0,0]=2 608 B14R1.32 CCOC(=O)\C=C\c1ccnc(Cl)c1 Amb6565042 [1,1,0,0,0,0|1,0,0]=3 609 B14R1.32 CCOC(=O)\C=C\c1cncc(Br)c1 Amb33469185 [1,1,0,0,0,0|1,0,0]=3 610 B14R1.32 CONC(=O)\C=C\c1cccc(C)c1 Amb27772238 [1,1,0,0,0,0|2,0,0]=4 611 B14R1.32 CONC(=O)\C=C\c1cccc(F)c1 Amb27611726 [1,1,0,0,0,0|2,0,0]=4 612 B14R1.60 C=C(CCN)\C(C)=C\c1ccccc1 Amb33381243 [1,1,0,0,0,0|2,0,0]=4 613 B14R1.60 CCNC(=O)C(=O)Cc1ccccc1 Amb17401495 [1,1,0,0,0,0|1,0,1]=4 614 B14R1.60 CCNC(=O)C(=O)Nc1ccccc1 Amb1814008 [1,1,0,0,0,0|2,0,0]=4 615 B14R1.60 CCOC(=N)C(=S)Nc1ccccc1 Amb28185834 [1,1,0,0,0,0|2,0,0]=4 616 B14R1.60 CCOC(=O)C(=O)C[n+]1ccccc1 Amb32456074 [1,1,0,0,0,0|1,0,1]=4 617 B14R1.60 CCOC(=O)C(=O)Cc1ccccc1 Amb28989403 [1,1,0,0,0,0|0,0,1]=3 618 B14R1.60 CCOC(=O)C(=O)Cc1ccncc1 Amb9201724 [1,1,0,0,0,0|1,0,1]=4 619 B14R1.60 CCOC(=O)C(=O)Nc1ccccc1 Amb1196006 [1,1,0,0,0,0|1,0,0]=3 620 B14R1.60 CCOC(=O)C(=O)Nc1ccccn1 Amb3886949 [1,1,0,0,0,0|2,0,0]=4 621 B14R1.60 CCOC(=O)C(=O)Nc1cccnc1 Amb3886946 [1,1,0,0,0,0|2,0,0]=4 622 B14R1.60 CCOC(=O)C(=O)Nc1ccncc1 Amb5794362 [1,1,0,0,0,0|2,0,0]=4 623 B14R1.60 CCOC(=O)C(=O)Oc1ccccn1 Amb24103622 [1,1,0,0,0,0|2,0,0]=4 624 B14R1.60 CCOC(=O)C(Br)Cc1ccccc1 Amb2794053 [1,1,0,0,0,0|0,0,2]=4 625 B14R1.60 CCOC(=O)C(F)Sc1ccccc1 Amb17940943 [1,1,0,0,0,0|1,0,1]=4 626 B14R1.60 CCOC(=O)C(N)Cc1ccccc1 Amb6334959 [1,1,0,0,0,0|0,0,2]=4 627 B14R1.60 CCOC(=O)C(N)Cc1ccccc1 Amb7762211 [1,1,0,0,0,0|0,0,2]=4 628 B14R1.60 CCOC(=O)C(O)Cc1ccccc1 Amb19079971 [1,1,0,0,0,0|0,0,2]=4 629 B14R1.60 CCOC(=O)N(C)Cc1ccccc1 Amb3095224 [1,1,0,0,0,0|1,0,1]=4 630 B14R1.60 CCOC(=O)N(O)Cc1ccccc1 Amb28248736 [1,1,0,0,0,0|1,0,1]=4 631 B14R1.60 CCOC(=O)[C@@H](N)Cc1ccccc1 Amb10844617 [1,1,0,0,0,0|0,0,2]=4 632 B14R1.60 CCOC(=O)[C@@H](N)Cc1ccccc1 Amb2725501 [1,1,0,0,0,0|0,0,2]=4 633 B14R1.60 CCOC(=O)[C@H](N)Cc1ccccc1 Amb19889827 [1,1,0,0,0,0|0,0,2]=4 634 B14R1.60 CCOC(=O)[C@H](N)Cc1ccccc1 Amb3940062 [1,1,0,0,0,0|0,0,2]=4 635 B14R1.60 CCOC(=O)\C(C)=C\c1ccccn1 Amb32664894 [1,1,0,0,0,0|1,0,0]=3 636 B14R1.60 CCOC(=O)\C(C)=C\c1cccnc1 Amb32664895 [1,1,0,0,0,0|1,0,0]=3 637 B14R1.60 CCOC(=O)\C(Cl)=C\c1ccccc1 Amb32425173 [1,1,0,0,0,0|0,0,0]=2 638 B14R1.60 CCOC(=O)\C([O-])=C\c1ccncc1 Amb19506687 [1,1,0,0,0,0|1,0,0]=3 639 B14R1.60 CNCC(=O)\C(C)=C\c1ccccc1 Amb33476419 [1,1,0,0,0,0|1,0,0]=3 640 B14R1.60 C\C(=C/c1ccccc1)C(=O)CCN Amb33476404 [1,1,0,0,0,0|1,0,0]=3 641 B14R1.502 C=C(\C=C\c1ccc(F)cc1)CCN Amb33201730 [1,1,0,0,0,0|2,0,0]=4 642 B14R1.502 CCCC(=O)CSc1ccc(Br)cc1 Amb32683090 [1,1,0,0,0,0|1,0,1]=4 643 B14R1.502 CCCC(=O)CSc1ccc(C)cc1 Amb32683100 [1,1,0,0,0,0|1,0,1]=4 644 B14R1.502 CCCC(=O)CSc1ccc(Cl)cc1 Amb32683095 [1,1,0,0,0,0|1,0,1]=4 645 B14R1.502 CCCC(=O)CSc1ccc(F)cc1 Amb32683097 [1,1,0,0,0,0|1,0,1]=4 646 B14R1.502 CCCC(=O)NCc1ccc(N)cc1 Amb17139364 [1,1,0,0,0,0|1,0,1]=4 647 B14R1.502 CCCC(=O)NNc1ccc(Cl)cc1 Amb4006248 [1,1,0,0,0,0|2,0,0]=4 648 B14R1.502 CCNC(=O)\C=C\c1ccc(Br)cc1 Amb6881338 [1,1,0,0,0,0|1,0,0]=3 649 B14R1.502 CCNC(=O)\C=C\c1ccc(Cl)cc1 Amb17775297 [1,1,0,0,0,0|1,0,0]=3 650 B14R1.502 CCNC(=O)\C=C\c1ccc(F)cc1 Amb17859931 [1,1,0,0,0,0|1,0,0]=3 651 B14R1.502 CCNC(=O)\C=C\c1ccc(N)cc1 Amb27588212 [1,1,0,0,0,0|1,0,0]=3 652 B14R1.502 CCOC(=O)C#Cc1ccc(Br)cc1 Amb24643932 [1,1,0,0,0,0|0,0,2]=4 653 B14R1.502 CCOC(=O)C#Cc1ccc(C)cc1 Amb25205982 [1,1,0,0,0,0|0,0,2]=4 654 B14R1.502 CCOC(=O)C#Cc1ccc(Cl)cc1 Amb19515859 [1,1,0,0,0,0|0,0,2]=4 655 B14R1.502 CCOC(=O)C#Cc1ccc(F)cc1 Amb25814599 [1,1,0,0,0,0|0,0,2]=4 656 B14R1.502 CCOC(=O)C#Cc1ccc(N)cc1 Amb27265922 [1,1,0,0,0,0|0,0,2]=4 657 B14R1.502 CCOC(=O)C#Cc1ccc(O)cc1 Amb25042066 [1,1,0,0,0,0|0,0,2]=4 658 B14R1.502 CCOC(=O)CCc1ccc(Br)cc1 Amb15692691 [1,1,0,0,0,0|0,0,2]=4 659 B14R1.502 CCOC(=O)CCc1ccc(C)cc1 Amb19073887 [1,1,0,0,0,0|0,0,2]=4 660 B14R1.502 CCOC(=O)CCc1ccc(Cl)cc1 Amb21962138 [1,1,0,0,0,0|0,0,2]=4 661 B14R1.502 CCOC(=O)CCc1ccc(F)cc1 Amb21962143 [1,1,0,0,0,0|0,0,2]=4 662 B14R1.502 CCOC(=O)CCc1ccc(N)cc1 Amb19042046 [1,1,0,0,0,0|0,0,2]=4 663 B14R1.502 CCOC(=O)CCc1ccc(N)cc1 Amb33548435 [1,1,0,0,0,0|0,0,2]=4 664 B14R1.502 CCOC(=O)CCc1ccc(O)cc1 Amb2722568 [1,1,0,0,0,0|0,0,2]=4 665 B14R1.502 CCOC(=O)CNc1ccc(Br)cc1 Amb1798245 [1,1,0,0,0,0|1,0,1]=4 666 B14R1.502 CCOC(=O)CNc1ccc(C)cc1 Amb33527069 [1,1,0,0,0,0|1,0,1]=4 667 B14R1.502 CCOC(=O)CNc1ccc(Cl)cc1 Amb6711991 [1,1,0,0,0,0|1,0,1]=4 668 B14R1.502 CCOC(=O)CNc1ccc(F)cc1 Amb1649074 [1,1,0,0,0,0|1,0,1]=4 669 B14R1.502 CCOC(=O)CNc1ccc(I)cc1 Amb1003062 [1,1,0,0,0,0|1,0,1]=4 670 B14R1.502 CCOC(=O)CNc1ccc(N)cc1 Amb19051516 [1,1,0,0,0,0|1,0,1]=4 671 B14R1.502 CCOC(=O)COc1ccc(C)cc1 Amb6555666 [1,1,0,0,0,0|1,0,1]=4 672 B14R1.502 CCOC(=O)COc1ccc(Cl)cc1 Amb6367962 [1,1,0,0,0,0|1,0,1]=4 673 B14R1.502 CCOC(=O)COc1ccc(F)cc1 Amb6545563 [1,1,0,0,0,0|1,0,1]=4 674 B14R1.502 CCOC(=O)COc1ccc(I)cc1 Amb9203437 [1,1,0,0,0,0|1,0,1]=4 675 B14R1.502 CCOC(=O)COc1ccc(N)cc1 Amb1121477 [1,1,0,0,0,0|1,0,1]=4 676 B14R1.502 CCOC(=O)COc1ccc(O)cc1 Amb18652309 [1,1,0,0,0,0|1,0,1]=4 677 B14R1.502 CCOC(=O)CSc1ccc(N)cc1 Amb8930381 [1,1,0,0,0,0|1,0,1]=4 678 B14R1.502 CCOC(=O)NNc1ccc(F)cc1 Amb26524896 [1,1,0,0,0,0|2,0,0]=4 679 B14R1.502 CCOC(=O)\C=C\c1ccc(Br)cc1 Amb33716486 [1,1,0,0,0,0|0,0,0]=2 680 B14R1.502 CCOC(=O)\C=C\c1ccc(Br)cc1 Amb33870372 [1,1,0,0,0,0|0,0,0]=2 681 B14R1.502 CCOC(=O)\C=C\c1ccc(Br)cn1 Amb28653453 [1,1,0,0,0,0|1,0,0]=3 682 B14R1.502 CCOC(=O)\C=C\c1ccc(Br)nc1 Amb28989668 [1,1,0,0,0,0|1,0,0]=3 683 B14R1.502 CCOC(=O)\C=C\c1ccc(C)cc1 Amb30526854 [1,1,0,0,0,0|0,0,0]=2 684 B14R1.502 CCOC(=O)\C=C\c1ccc(C)cn1 Amb30594534 [1,1,0,0,0,0|1,0,0]=3 685 B14R1.502 CCOC(=O)\C=C\c1ccc(Cl)cc1 Amb24078556 [1,1,0,0,0,0|0,0,0]=2 686 B14R1.502 CCOC(=O)\C=C\c1ccc(Cl)cc1 Amb33715893 [1,1,0,0,0,0|0,0,0]=2 687 B14R1.502 CCOC(=O)\C=C\c1ccc(Cl)cn1 Amb33469201 [1,1,0,0,0,0|1,0,0]=3 688 B14R1.502 CCOC(=O)\C=C\c1ccc(Cl)nc1 Amb24097721 [1,1,0,0,0,0|1,0,0]=3 689 B14R1.502 CCOC(=O)\C=C\c1ccc(F)cc1 Amb24089413 [1,1,0,0,0,0|0,0,0]=2 690 B14R1.502 CCOC(=O)\C=C\c1ccc(F)nc1 Amb33469198 [1,1,0,0,0,0|1,0,0]=3 691 B14R1.502 CCOC(=O)\C=C\c1ccc(N)cc1 Amb1197562 [1,1,0,0,0,0|0,0,0]=2 692 B14R1.502 CCOC(=O)\C=C\c1ccc(N)nc1 Amb2697295 [1,1,0,0,0,0|1,0,0]=3 693 B14R1.502 CCOC(=O)\C=C\c1ccc(O)cc1 Amb2445150 [1,1,0,0,0,0|0,0,0]=2 694 B14R1.502 CCOC(=O)\C=N\c1ccc(Br)cc1 Amb20241622 [1,1,0,0,0,0|1,0,0]=3 695 B14R1.502 CCOC(=O)\N=C\c1ccc(Cl)cc1 Amb29599218 [1,1,0,0,0,0|1,0,0]=3 696 B14R1.502 CCOC(=O)\N=C\c1ccc(F)cc1 Amb33513280 [1,1,0,0,0,0|1,0,0]=3 697 B14R1.502 CNCC(=O)\C=C\c1ccc(F)cc1 Amb33326727 [1,1,0,0,0,0|1,0,0]=3 698 B14R1.502 NCCC(=O)\C=C\c1ccc(F)cc1 Amb33326731 [1,1,0,0,0,0|1,0,0]=3 699 B14R1.598 CCCC(=O)CSc1ccccc1Br Amb32683092 [1,1,0,0,0,0|1,0,1]=4 700 B14R1.598 CCCC(=O)CSc1ccccc1C Amb32683099 [1,1,0,0,0,0|1,0,1]=4 701 B14R1.598 CCCC(=O)CSc1ccccc1Cl Amb32683093 [1,1,0,0,0,0|1,0,1]=4 702 B14R1.598 CCCC(=O)CSc1ccccc1F Amb32683096 [1,1,0,0,0,0|1,0,1]=4 703 B14R1.598 CCOC(=O)C#Cc1ccccc1C Amb24369087 [1,1,0,0,0,0|0,0,2]=4 704 B14R1.598 CCOC(=O)C#Cc1ccccc1Cl Amb24079963 [1,1,0,0,0,0|0,0,2]=4 705 B14R1.598 CCOC(=O)C#Cc1ccccc1F Amb24079971 [1,1,0,0,0,0|0,0,2]=4 706 B14R1.598 CCOC(=O)C#Cc1ccccc1N Amb26490907 [1,1,0,0,0,0|0,0,2]=4 707 B14R1.598 CCOC(=O)C#Cc1ccccc1O Amb24613197 [1,1,0,0,0,0|0,0,2]=4 708 B14R1.598 CCOC(=O)CCc1ccccc1Br Amb15692688 [1,1,0,0,0,0|0,0,2]=4 709 B14R1.598 CCOC(=O)CCc1ccccc1C Amb19073901 [1,1,0,0,0,0|0,0,2]=4 710 B14R1.598 CCOC(=O)CCc1ccccc1Cl Amb21962867 [1,1,0,0,0,0|0,0,2]=4 711 B14R1.598 CCOC(=O)CCc1ccccc1F Amb21962868 [1,1,0,0,0,0|0,0,2]=4 712 B14R1.598 CCOC(=O)CCc1ccccc1N Amb33803544 [1,1,0,0,0,0|0,0,2]=4 713 B14R1.598 CCOC(=O)CCc1ccccc1O Amb18651832 [1,1,0,0,0,0|0,0,2]=4 714 B14R1.598 CCOC(=O)CNc1ccccc1C Amb6714296 [1,1,0,0,0,0|1,0,1]=4 715 B14R1.598 CCOC(=O)CNc1ccccc1Cl Amb6712399 [1,1,0,0,0,0|1,0,1]=4 716 B14R1.598 CCOC(=O)CNc1ccccc1F Amb6712589 [1,1,0,0,0,0|1,0,1]=4 717 B14R1.598 CCOC(=O)CNc1ccccc1N Amb19051515 [1,1,0,0,0,0|1,0,1]=4 718 B14R1.598 CCOC(=O)COc1ccccc1Br Amb6550418 [1,1,0,0,0,0|1,0,1]=4 719 B14R1.598 CCOC(=O)COc1ccccc1C Amb6357570 [1,1,0,0,0,0|1,0,1]=4 720 B14R1.598 CCOC(=O)COc1ccccc1Cl Amb6856205 [1,1,0,0,0,0|1,0,1]=4 721 B14R1.598 CCOC(=O)COc1ccccc1F Amb7755238 [1,1,0,0,0,0|1,0,1]=4 722 B14R1.598 CCOC(=O)COc1ccccc1I Amb9285952 [1,1,0,0,0,0|1,0,1]=4 723 B14R1.598 CCOC(=O)COc1ccccc1O Amb1199351 [1,1,0,0,0,0|1,0,1]=4 724 B14R1.598 CCOC(=O)\C=C\c1ccccc1Br Amb33997762 [1,1,0,0,0,0|0,0,0]=2 725 B14R1.598 CCOC(=O)\C=C\c1ccccc1C Amb33358074 [1,1,0,0,0,0|0,0,0]=2 726 B14R1.598 CCOC(=O)\C=C\c1ccccc1Cl Amb34103701 [1,1,0,0,0,0|0,0,0]=2 727 B14R1.598 CCOC(=O)\C=C\c1ccccc1F Amb2699675 [1,1,0,0,0,0|0,0,0]=2 728 B14R1.598 CCOC(=O)\C=C\c1ccccc1N Amb17777074 [1,1,0,0,0,0|0,0,0]=2 729 B14R1.598 CCOC(=O)\C=C\c1ccccc1O Amb18651061 [1,1,0,0,0,0|0,0,0]=2 730 B14R1.598 CCOC(=O)\C=C\c1cccnc1Br Amb33972638 [1,1,0,0,0,0|1,0,0]=3 731 B14R1.598 CCOC(=O)\C=C\c1cccnc1Cl Amb24090584 [1,1,0,0,0,0|1,0,0]=3 732 B14R1.598 CCOC(=O)\C=C\c1cccnc1F Amb33972618 [1,1,0,0,0,0|1,0,0]=3 733 B14R1.598 CCOC(=O)\C=C\c1ccncc1F Amb33469196 [1,1,0,0,0,0|1,0,0]=3 734 B14R1.598 CCOC(=O)\C=C\c1cnccc1C Amb32423788 [1,1,0,0,0,0|1,0,0]=3 735 B14R1.598 CCOC(=O)\C=C\c1cnccc1N Amb10844701 [1,1,0,0,0,0|1,0,0]=3 736 B14R1.598 CCOC(=O)\C=C\c1ncccc1F Amb33972617 [1,1,0,0,0,0|1,0,0]=3 737 B14R1.598 CONC(=O)\C=C\c1ccccc1Br Amb27857184 [1,1,0,0,0,0|2,0,0]=4 738 B14R1.598 CONC(=O)\C=C\c1ccccc1F Amb28201232 [1,1,0,0,0,0|2,0,0]=4 739 B14R1.756 CCC(Br)C(=O)NCc1ccccc1 Amb9174124 [1,1,0,0,0,0|1,0,1]=4 740 B14R1.756 CCC(C)C(=O)C#Cc1ccccc1 Amb27662388 [1,1,0,0,0,0|0,0,2]=4 741 B14R1.756 CCC(C)C(=O)CSc1ccccc1 Amb32682589 [1,1,0,0,0,0|1,0,1]=4 742 B14R1.756 CCC(C)C(=O)NCc1ccccc1 Amb3886895 [1,1,0,0,0,0|1,0,1]=4 743 B14R1.756 CCC(Cl)C(=O)NCc1ccccc1 Amb1229165 [1,1,0,0,0,0|1,0,1]=4 744 B14R1.756 CCC(N)C(=O)NCc1ccccc1 Amb9267786 [1,1,0,0,0,0|1,0,1]=4 745 B14R1.756 CCC(N)C(=O)NNc1ccccc1 Amb28454815 [1,1,0,0,0,0|2,0,0]=4 746 B14R1.756 CCC(N)C(=O)OCc1ccccc1 Amb19042038 [1,1,0,0,0,0|1,0,1]=4 747 B14R1.756 CCC(O)C(=O)NCc1ccccc1 Amb27793402 [1,1,0,0,0,0|1,0,1]=4 748 B14R1.756 CCC(O)C(=O)OCc1ccccc1 Amb27627281 [1,1,0,0,0,0|1,0,1]=4 749 B14R1.756 CCC(S)C(=O)NCc1ccccc1 Amb28128230 [1,1,0,0,0,0|1,0,1]=4 750 B14R1.756 CCC(S)C(=O)OCc1ccccc1 Amb28349891 [1,1,0,0,0,0|1,0,1]=4 751 B14R1.756 CC[C@@H](N)C(=O)C#Cc1ccccc1 Amb35596818 [1,1,0,0,0,0|0,0,2]=4 752 B14R1.756 CC[C@@H](O)C(=O)NCc1ccccc1 Amb28343252 [1,1,0,0,0,0|1,0,1]=4 753 B14R1.756 CC[C@H](C)C(=O)NCc1ccccc1 Amb27643489 [1,1,0,0,0,0|1,0,1]=4 754 B14R1.756 CC[C@H](N)C(=O)C#Cc1ccccc1 Amb35601316 [1,1,0,0,0,0|0,0,2]=4 755 B14R1.756 CC[C@H](N)C(=O)NCc1ccccc1 Amb27256982 [1,1,0,0,0,0|1,0,1]=4 756 B14R1.756 CC[C@H](O)C(=O)NCc1ccccc1 Amb28053819 [1,1,0,0,0,0|1,0,1]=4 757 B14R1.756 COC(=O)C(=O)\C=C\c1ccccc1 Amb31029020 [1,1,0,0,0,0|1,0,1]=4 758 B14R1.756 CON(C)C(=O)\C=C\c1ccccc1 Amb10569707 [1,1,0,0,0,0|2,0,0]=4 759 B14R1.818 CC(=C\C(C)O)\C=C\c1ccccc1 Amb27472779 [1,1,0,0,0,0|1,0,1]=4 760 B14R1.818 CC(=O)CC(=O)\C=C\c1ccccc1 Amb17594879 [1,1,0,0,0,0|0,0,1]=3 761 B14R1.818 CC(C)CC(=O)CCc1ccccc1 Amb3940664 [1,1,0,0,0,0|0,0,2]=4 762 B14R1.818 CC(C)CC(=O)NCc1ccccc1 Amb3109685 [1,1,0,0,0,0|1,0,1]=4 763 B14R1.818 CC(C)NC(=O)\C=C\c1ccccc1 Amb3096736 [1,1,0,0,0,0|1,0,0]=3 764 B14R1.818 CC(C)OC(=O)C#Cc1ccccc1 Amb27662961 [1,1,0,0,0,0|0,0,2]=4 765 B14R1.818 CC(Cl)OC(=O)OCc1ccccc1 Amb25202460 [1,1,0,0,0,0|1,0,1]=4 766 B14R1.818 CC(N)CC(=O)NNc1ccccc1 Amb27810166 [1,1,0,0,0,0|2,0,0]=4 767 B14R1.818 CC(N)CC(=O)OCc1ccccc1 Amb19042037 [1,1,0,0,0,0|1,0,1]=4 768 B14R1.818 CC(N)CC(=O)OCc1ccccc1 Amb32681166 [1,1,0,0,0,0|1,0,1]=4 769 B14R1.818 CC(O)CC(=O)NCc1ccccc1 Amb28287743 [1,1,0,0,0,0|1,0,1]=4 770 B14R1.818 CN(C)NC(=O)\C=C\c1ccccc1 Amb2620529 [1,1,0,0,0,0|2,0,0]=4 771 B14R1.818 C[C@H](N)CC(=O)OCc1ccccc1 Amb27249734 [1,1,0,0,0,0|1,0,1]=4 772 B14R1.33 CCCCC(=O)Nc1ccc(C)cc1 Amb3104090 [0,1,0,0,1,0|2,0,0]=4 773 B14R1.33 CCCCC(=O)Nc1ccc(Cl)cc1 Amb2674632 [0,1,0,0,1,0|2,0,0]=4 774 B14R1.33 CCCCC(=O)Nc1ccc(I)cc1 Amb2661169 [0,1,0,0,1,0|2,0,0]=4 775 B14R1.33 CCCCC(=O)Nc1ccc(N)cc1 Amb6246979 [0,1,0,0,1,0|2,0,0]=4 776 B14R1.33 CCCCC(=O)Nc1ccc(O)cc1 Amb844196 [0,1,0,0,1,0|2,0,0]=4 777 B14R1.33 CCCNC(=O)Cc1ccc(N)cc1 Amb1116639 [0,1,0,0,1,0|1,0,1]=4 778 B14R1.33 CCCNC(=O)Nc1ccc(C)cc1 Amb1242089 [0,1,0,0,1,0|2,0,0]=4 779 B14R1.33 CCCNC(=O)Nc1ccc(Cl)cc1 Amb2236961 [0,1,0,0,1,0|2,0,0]=4 780 B14R1.33 CCCOC(=O)Cc1ccc(N)cc1 Amb8426800 [0,1,0,0,1,0|0,0,1]=3 781 B14R1.33 CCCOC(=O)Nc1ccc(Br)cc1 Amb3101975 [0,1,0,0,1,0|1,0,0]=3 782 B14R1.33 CCCOC(=O)Nc1ccc(Br)cn1 Amb24370358 [0,1,0,0,1,0|2,0,0]=4 783 B14R1.33 CCCOC(=O)Nc1ccc(C)cc1 Amb3101939 [0,1,0,0,1,0|1,0,0]=3 784 B14R1.33 CCCOC(=O)Nc1ccc(C)cn1 Amb29375372 [0,1,0,0,1,0|2,0,0]=4 785 B14R1.33 CCCOC(=O)Nc1ccc(Cl)cc1 Amb3101972 [0,1,0,0,1,0|1,0,0]=3 786 B14R1.33 CCCOC(=O)Nc1ccc(F)cc1 Amb3095277 [0,1,0,0,1,0|1,0,0]=3 787 B14R1.33 CCCOC(=O)Nc1ccc(F)nc1 Amb27191106 [0,1,0,0,1,0|2,0,0]=4 788 B14R1.33 CCCSC(=O)Nc1ccc(Br)cc1 Amb4036376 [0,1,0,0,1,0|1,1,0]=4 789 B14R1.33 Cc1ccc(NC(=O)OCCCl)cc1 Amb22346324 [0,1,0,0,1,0|2,0,0]=4 790 B14R1.33 Cc1ccc(NC(=O)OCCO)cc1 Amb27755608 [0,1,0,0,1,0|2,0,0]=4 791 B14R1.33 NCCOC(=O)Nc1ccc(Br)cc1 Amb27959638 [0,1,0,0,1,0|2,0,0]=4 792 B14R1.33 O=C(Nc1ccc(Br)cc1)OCCBr Amb27217485 [0,1,0,0,1,0|2,0,0]=4 793 B14R1.33 O=C(Nc1ccc(Br)cc1)OCCCl Amb22346393 [0,1,0,0,1,0|2,0,0]=4 794 B14R1.33 O=C(Nc1ccc(Cl)cc1)OCCBr Amb28422318 [0,1,0,0,1,0|2,0,0]=4 795 B14R1.33 O=C(Nc1ccc(Cl)cc1)OCCCl Amb4005113 [0,1,0,0,1,0|2,0,0]=4 796 B14R1.33 O=C(Nc1ccc(F)cc1)OCCCl Amb17943397 [0,1,0,0,1,0|2,0,0]=4 797 B14R1.33 O=C(Nc1ccc(F)cc1)OCCO Amb27603644 [0,1,0,0,1,0|2,0,0]=4 798 B14R1.33 O=C(Nc1ccc(I)cc1)OCCO Amb27607471 [0,1,0,0,1,0|2,0,0]=4 799 B14R1.33 O=C(Nc1ccc(O)cc1)OCCCl Amb27237538 [0,1,0,0,1,0|2,0,0]=4 800 B14R1.33 O=C(Nc1ccc(O)cc1)OCCO Amb27254680 [0,1,0,0,1,0|2,0,0]=4 801 B14R1.34 CCCCC(=O)Nc1cccc(Br)c1 Amb2674345 [0,1,0,0,1,0|2,0,0]=4 802 B14R1.34 CCCCC(=O)Nc1cccc(Cl)c1 Amb2674347 [0,1,0,0,1,0|2,0,0]=4 803 B14R1.34 CCCCC(=O)Nc1cccc(N)c1 Amb1797215 [0,1,0,0,1,0|2,0,0]=4 804 B14R1.34 CCCCC(=O)Nc1cccc(O)c1 Amb844197 [0,1,0,0,1,0|2,0,0]=4 805 B14R1.34 CCCNC(=O)Cc1cccc(N)c1 Amb8426829 [0,1,0,0,1,0|1,0,1]=4 806 B14R1.34 CCCNC(=O)Nc1cccc(C)c1 Amb1233731 [0,1,0,0,1,0|2,0,0]=4 807 B14R1.34 CCCNC(=O)Nc1cccc(F)c1 Amb3102057 [0,1,0,0,1,0|2,0,0]=4 808 B14R1.34 CCCNC(=O)Nc1cccc(N)c1 Amb6747333 [0,1,0,0,1,0|2,0,0]=4 809 B14R1.34 CCCNC(=O)Nc1cccc(O)c1 Amb6748048 [0,1,0,0,1,0|2,0,0]=4 810 B14R1.34 CCCOC(=O)Cc1cccc(N)c1 Amb8426814 [0,1,0,0,1,0|0,0,1]=3 811 B14R1.34 CCCOC(=O)Nc1cc(C)ccn1 Amb29375335 [0,1,0,0,1,0|2,0,0]=4 812 B14R1.34 CCCOC(=O)Nc1cccc(Br)c1 Amb3095276 [0,1,0,0,1,0|1,0,0]=3 813 B14R1.34 CCCOC(=O)Nc1cccc(C)c1 Amb3101938 [0,1,0,0,1,0|1,0,0]=3 814 B14R1.34 CCCOC(=O)Nc1cccc(C)n1 Amb35611107 [0,1,0,0,1,0|2,0,0]=4 815 B14R1.34 CCCOC(=O)Nc1cccc(Cl)c1 Amb4018009 [0,1,0,0,1,0|1,0,0]=3 816 B14R1.34 CCCOC(=O)Nc1cccc(Cl)n1 Amb27803629 [0,1,0,0,1,0|2,0,0]=4 817 B14R1.34 CCCOC(=O)Nc1cccc(F)c1 Amb3101974 [0,1,0,0,1,0|1,0,0]=3 818 B14R1.34 CCCOC(=O)Nc1cccc(N)c1 Amb8941777 [0,1,0,0,1,0|1,0,0]=3 819 B14R1.34 CCCOC(=O)Nc1ccnc(Br)c1 Amb27173589 [0,1,0,0,1,0|2,0,0]=4 820 B14R1.34 CCCOC(=O)Nc1ccnc(C)c1 Amb27610433 [0,1,0,0,1,0|2,0,0]=4 821 B14R1.34 CCCOC(=O)Nc1ccnc(Cl)c1 Amb28352202 [0,1,0,0,1,0|2,0,0]=4 822 B14R1.34 CCCOC(=O)Nc1ccnc(N)c1 Amb35678025 [0,1,0,0,1,0|2,0,0]=4 823 B14R1.34 CCCOC(=O)Nc1cncc(C)c1 Amb27610496 [0,1,0,0,1,0|2,0,0]=4 824 B14R1.34 CCCOC(=O)Nc1cncc(Cl)c1 Amb35717890 [0,1,0,0,1,0|2,0,0]=4 825 B14R1.34 CCCSC(=O)Nc1cccc(C)c1 Amb22346511 [0,1,0,0,1,0|1,1,0]=4 826 B14R1.34 CCCSC(=O)Nc1cccc(Cl)c1 Amb4018019 [0,1,0,0,1,0|1,1,0]=4 827 B14R1.34 Cc1cccc(NC(=O)OCCN)c1 Amb27657319 [0,1,0,0,1,0|2,0,0]=4 828 B14R1.34 Cc1cccc(NC(=O)OCCO)c1 Amb27407482 [0,1,0,0,1,0|2,0,0]=4 829 B14R1.34 NCCOC(=O)Nc1cccc(Br)c1 Amb27475294 [0,1,0,0,1,0|2,0,0]=4 830 B14R1.34 O=C(Nc1cccc(Br)c1)OCCBr Amb27959620 [0,1,0,0,1,0|2,0,0]=4 831 B14R1.34 O=C(Nc1cccc(Br)c1)OCCCl Amb24590326 [0,1,0,0,1,0|2,0,0]=4 832 B14R1.34 O=C(Nc1cccc(Cl)c1)OCCBr Amb9808668 [0,1,0,0,1,0|2,0,0]=4 833 B14R1.34 O=C(Nc1cccc(Cl)c1)OCCCl Amb17844348 [0,1,0,0,1,0|2,0,0]=4 834 B14R1.34 O=C(Nc1cccc(F)c1)OCCBr Amb28186122 [0,1,0,0,1,0|2,0,0]=4 835 B14R1.34 O=C(Nc1cccc(I)c1)OCCO Amb27669684 [0,1,0,0,1,0|2,0,0]=4 836 B14R1.166 CCCNC(=O)C(=O)c1ccccc1 Amb17336308 [0,1,0,0,1,0|1,0,0]=3 837 B14R1.166 CCCNC(=O)C(N)c1ccccc1 Amb6265860 [0,1,0,0,1,0|1,0,1]=4 838 B14R1.166 CCCNC(=O)C(O)c1ccccc1 Amb17401749 [0,1,0,0,1,0|1,0,1]=4 839 B14R1.166 CCCNC(=O)[C@@H](N)c1ccccc1 Amb5784568 [0,1,0,0,1,0|1,0,1]=4 840 B14R1.166 CCCOC(=O)C(O)c1ccccc1 Amb9233477 [0,1,0,0,1,0|0,0,1]=3 841 B14R1.166 CCCOC(=O)N(N)c1ccccc1 Amb33191344 [0,1,0,0,1,0|1,0,0]=3 842 B14R1.166 CCCOC(=O)N(N)c1ccccn1 Amb33191462 [0,1,0,0,1,0|2,0,0]=4 843 B14R1.423 C=C(C)COC(=O)Nc1ccccc1 Amb26978839 [0,1,0,0,1,0|1,0,1]=4 844 B14R1.423 CC(C)COC(=O)Cc1ccccc1 Amb6357515 [0,1,0,0,1,0|0,0,1]=3 845 B14R1.423 CC(C)COC(=O)Nc1cccnc1 Amb444418 [0,1,0,0,1,0|2,0,0]=4 846 B14R1.423 CC(C)COC(=S)Nc1ccccc1 Amb1039629 [0,1,0,0,1,0|1,1,0]=4 847 B14R1.423 CC(N)COC(=O)Nc1ccccc1 Amb35723823 [0,1,0,0,1,0|1,0,0]=3 848 B14R1.423 CC(O)CCC(=O)Nc1ccccc1 Amb17336624 [0,1,0,0,1,0|2,0,0]=4 849 B14R1.423 CC(O)CNC(=O)Cc1ccccc1 Amb9244614 [0,1,0,0,1,0|1,0,1]=4 850 B14R1.423 CC(O)CNC(=O)Nc1ccccc1 Amb9246709 [0,1,0,0,1,0|2,0,0]=4 851 B14R1.423 CC(O)COC(=O)Nc1ccccc1 Amb27230575 [0,1,0,0,1,0|1,0,0]=3 852 B14R1.423 C[C@@H](O)CNC(=O)Nc1ccccc1 Amb27461579 [0,1,0,0,1,0|2,0,0]=4 853 B14R1.423 C[C@@H](O)CNC(=O)Oc1ccccc1 Amb33483091 [0,1,0,0,1,0|2,0,0]=4 854 B14R1.423 C\C(=C/c1ccccc1)CCC(C)N Amb33476718 [0,1,0,0,1,0|2,0,0]=4 855 B14R1.423 C\C(=C/c1ccccc1)CCC(C)O Amb33476722 [0,1,0,0,1,0|2,0,0]=4 856 B14R1.423 C\C(=C/c1ccccc1)CC[C@@H](C)N Amb33476737 [0,1,0,0,1,0|2,0,0]=4 857 B14R1.423 C\C(=C/c1ccccc1)CC[C@@H](C)O Amb33476735 [0,1,0,0,1,0|2,0,0]=4 858 B14R1.423 C\C(=C/c1ccccc1)CC[C@H](C)N Amb33476741 [0,1,0,0,1,0|2,0,0]=4 859 B14R1.423 C\C(=C/c1ccccc1)CC[C@H](C)O Amb33476731 [0,1,0,0,1,0|2,0,0]=4 860 B14R1.743 CC(CCl)OC(=O)Nc1ccccc1 Amb27830499 [0,1,0,0,1,0|2,0,0]=4 861 B14R1.743 CC(CO)OC(=O)Nc1ccccc1 Amb27614233 [0,1,0,0,1,0|2,0,0]=4 862 B14R1.743 CCC(C)OC(=O)Nc1ccccc1 Amb4017866 [0,1,0,0,1,0|1,0,0]=3 863 B14R1.743 CCC(N)CC(=O)Nc1ccccc1 Amb28123443 [0,1,0,0,1,0|2,0,0]=4 864 B14R1.743 CC[C@@H](C)CC(=O)Nc1ccccc1 Amb27810903 [0,1,0,0,1,0|2,0,0]=4 865 B14R1.946 CCCCC(=O)Nc1ccccc1C Amb2660530 [0,1,0,0,1,0|2,0,0]=4 866 B14R1.946 CCCCC(=O)Nc1ccccc1N Amb843225 [0,1,0,0,1,0|2,0,0]=4 867 B14R1.946 CCCCC(=O)Nc1ccccc1O Amb2661102 [0,1,0,0,1,0|2,0,0]=4 868 B14R1.946 CCCNC(=O)Cc1ccccc1N Amb1119442 [0,1,0,0,1,0|1,0,1]=4 869 B14R1.946 CCCNC(=O)Nc1ccccc1Br Amb6747941 [0,1,0,0,1,0|2,0,0]=4 870 B14R1.946 CCCNC(=O)Nc1ccccc1Cl Amb3102053 [0,1,0,0,1,0|2,0,0]=4 871 B14R1.946 CCCNC(=O)Nc1ccccc1F Amb3102056 [0,1,0,0,1,0|2,0,0]=4 872 B14R1.946 CCCNC(=O)Nc1ccccc1I Amb6510868 [0,1,0,0,1,0|2,0,0]=4 873 B14R1.946 CCCOC(=O)Nc1ccccc1Br Amb27755704 [0,1,0,0,1,0|1,0,0]=3 874 B14R1.946 CCCOC(=O)Nc1ccccc1Cl Amb3101971 [0,1,0,0,1,0|1,0,0]=3 875 B14R1.946 CCCOC(=O)Nc1ccccc1F Amb3101973 [0,1,0,0,1,0|1,0,0]=3 876 B14R1.946 CCCOC(=O)Nc1ccccc1I Amb27776383 [0,1,0,0,1,0|1,0,0]=3 877 B14R1.946 CCCOC(=O)Nc1cccnc1C Amb27773029 [0,1,0,0,1,0|2,0,0]=4 878 B14R1.946 CCCOC(=O)Nc1cccnc1Cl Amb26931624 [0,1,0,0,1,0|2,0,0]=4 879 B14R1.946 CCCOC(=O)Nc1cccnc1F Amb30018103 [0,1,0,0,1,0|2,0,0]=4 880 B14R1.946 CCCOC(=O)Nc1cnccc1C Amb27610552 [0,1,0,0,1,0|2,0,0]=4 881 B14R1.946 CCCOC(=O)Nc1ncccc1C Amb29375337 [0,1,0,0,1,0|2,0,0]=4 882 B14R1.946 Cc1ccccc1NC(=O)OCCCl Amb22346292 [0,1,0,0,1,0|2,0,0]=4 883 B14R1.946 Nc1ccccc1NC(=O)OCCO Amb27648649 [0,1,0,0,1,0|2,0,0]=4 884 B14R1.946 O=C(Nc1ccccc1Br)OCCCl Amb32664818 [0,1,0,0,1,0|2,0,0]=4 885 B14R1.946 O=C(Nc1ccccc1Br)OCCO Amb27205436 [0,1,0,0,1,0|2,0,0]=4 886 B14R1.946 O=C(Nc1ccccc1Cl)OCCO Amb28347906 [0,1,0,0,1,0|2,0,0]=4 887 B14R1.946 O=C(Nc1ccccc1F)OCCBr Amb27872861 [0,1,0,0,1,0|2,0,0]=4 888 B14R1.946 O=C(Nc1ccccc1F)OCCCl Amb4006531 [0,1,0,0,1,0|2,0,0]=4 889 B16R1.1516 CCCNC(=O)C(=O)NCc1ccccc1 Amb1799286 [0,1,0,0,0,1|1,0,1]=4 890 B16R1.1516 CCCOC(=O)C(C)OCc1ccccc1 Amb27855439 [0,1,0,0,0,1|0,0,2]=4 891 B16R1.1694 CCCOCC(=O)CNCc1ccccc1 Amb33131593 [0,1,0,0,0,1|0,0,2]=4 892 B16R1.18213 CC(C)COC(=O)NOCc1ccccc1 Amb27837078 [0,1,0,0,0,1|1,0,1]=4 893 B16R1.35 CCCCCC(=O)CC(=O)c1ccccc1 Amb8832784 [0,2,0,0,0,0|1,0,1]=4 894 B16R1.51 COCCNC(=O)\C=C\c1ccc(N)cc1 Amb23495190 [0,2,0,0,0,0|1,0,0]=3 895 B16R1.51 Cc1ccc(\C=C\C(=O)NCCCN)cc1 Amb18619963 [0,2,0,0,0,0|1,0,0]=3 896 B16R1.52 COCCNC(=O)\C=C\c1cccc(N)c1 Amb17141268 [0,2,0,0,0,0|1,0,0]=3 897 B16R1.608 O=C(O)CCNC(=O)\C=C\c1ccccc1 Amb1211750 [0,2,0,0,0,0|1,0,1]=4 898 B16R1.688 C#CCCCNC(=O)\C=C\c1ccccc1 Amb33743410 [0,2,0,0,0,0|1,0,0]=3 899 B16R1.688 CNCCOCC(=O)NCc1ccccc1 Amb28240553 [0,2,0,0,0,0|1,0,1]=4 900 B16R1.688 NCCCCNC(=O)\C=C\c1ccccc1 Amb18619997 [0,2,0,0,0,0|1,0,0]=3 901 B16R1.688 NCCCOCC(=O)NCc1ccccc1 Amb27667620 [0,2,0,0,0,0|1,0,1]=4 902 B16R1.1216 CCCCOC(=O)C(=O)Nc1ccccc1 Amb4171321 [0,2,0,0,0,0|1,0,0]=3 903 B16R1.1216 O=C(NCCCO)C(=O)Nc1ccccc1 Amb1000765 [0,2,0,0,0,0|2,0,0]=4 904 B16R1.1343 COC(=O)CNC(=O)\C=C\c1ccccc1 Amb1219873 [0,2,0,0,0,0|1,0,1]=4 905 B16R1.1343 NC(CO)COC(=O)NCc1ccccc1 Amb27453701 [0,2,0,0,0,0|1,0,1]=4 906 B16R1.1570 CCOC(=O)CC(=O)\C=C\c1ccccc1 Amb17529751 [0,2,0,0,0,0|1,0,1]=4 907 B16R1.20527 CCCCNS(=O)(=O)\C=C\c1ccccc1 Amb17903 [0,2,0,0,0,0|2,0,0]=4 908 B16R1.851 CCC(C)NC(=O)\C=C\c1cccc(N)c1 Amb17141101 [0,2,0,0,0,0|1,0,0]=3 909 B16R1.11227 CC(C)CNC(=O)\C=C\c1cccc(N)c1 Amb17141100 [0,2,0,0,0,0|1,0,0]=3 910 B16R1.20755 COc1cccc(\C=C\C(=O)NCCN)c1 Amb18619941 [0,2,0,0,0,0|2,0,0]=4 911 B16R1.20760 CCCNC(=O)\C=C\c1ccc(C)c(N)c1 Amb17141104 [0,2,0,0,0,0|1,0,0]=3 912 B16R1.20760 CCCNC(=O)\C=C\c1ccc(Cl)c(N)c1 Amb17158687 [0,2,0,0,0,0|1,0,0]=3 913 B16R1.20760 CCCNC(=O)\C=C\c1ccc(F)c(N)c1 Amb17141555 [0,2,0,0,0,0|1,0,0]=3 914 B16R1.658 Cc1ccc(NC(=O)C(=O)OCCCl)cc1 Amb10244504 [0,2,0,0,0,0|2,0,0]=4 915 B16R1.658 Cc1ccc(NC(=O)C(=O)OCCO)cc1 Amb10244505 [0,2,0,0,0,0|2,0,0]=4 916 B16R1.979 Cc1ccc(\C=C\C(=O)N(C)CCN)cc1 Amb18631573 [0,2,0,0,0,0|2,0,0]=4 917 B16R1.1478 NCCNC(=O)\C=C\c1ccc(Cl)cc1Cl Amb18619935 [0,2,0,0,0,0|2,0,0]=4 918 B16R1.1480 CCCOC(=O)COc1ccc(C=O)cc1 Amb2209385 [0,2,0,0,0,0|1,0,1]=4 919 B16R1.1480 CCCOC(=O)\C=C\c1ccc(OC)cc1 Amb21963214 [0,2,0,0,0,0|0,0,0]=2 920 B16R1.126 CCCOC(=O)N(CC)Cc1ccccc1 Amb25913980 [0,2,0,0,0,0|1,0,1]=4 921 B16R1.7289 CCC(CN)NC(=O)\C=C\c1ccccc1 Amb18631492 [0,2,0,0,0,0|1,0,0]=3 922 B14R1.934 CCCOC(=O)c1cccc(CN)c1 Amb17084760 [0,0,1,1,0,0|1,0,1]=4 923 B14R1.934 CCCOC(=O)c1cccc(NC)c1 Amb17307184 [0,0,1,1,0,0|1,0,1]=4 924 B14R1.918 CCCOC(=O)c1cc(Br)ccc1N Amb13951731 [0,0,1,1,0,0|2,0,0]=4 925 B14R1.918 CCCOC(=O)c1cc(C)ccc1N Amb8874748 [0,0,1,1,0,0|1,0,1]=4 926 B14R1.918 CCCOC(=O)c1cc(N)ccc1Cl Amb17307882 [0,0,1,1,0,0|2,0,0]=4 927 B14R1.918 CCCOC(=O)c1cc(O)ccc1N Amb19016134 [0,0,1,1,0,0|2,0,0]=4 928 B14R2.3 CCCNc1csc2ccccc12 Amb27186106 [1,0,0,1,0,0|2,0,0]=4 929 B14R2.3 CCCOn1cnc2ccccc21 Amb24725237 [1,0,0,1,0,0|2,0,0]=4 930 B14R2.3 COCOn1ccc2ccccc21 Amb28243604 [1,0,0,1,0,0|2,0,0]=4 931 B14R2.3 ClCCOc1csc2ccccc12 Amb27463408 [1,0,0,1,0,0|2,0,0]=4 932 B14R2.3 NCCOc1csc2ccccc12 Amb33196991 [1,0,0,1,0,0|2,0,0]=4 933 B14R2.6 C(=C1CCCCC1)c2ccccc2 Amb4035202 [1,0,0,1,0,0|1,0,1]=4 934 B14R2.6 C1=C(Oc2ccccc2)CCCC1 Amb27495638 [1,0,0,1,0,0|2,0,0]=4 935 B14R2.14 CCc1ocnc1-c2ccccc2 Amb28321142 [1,0,0,1,0,0|1,0,1]=4 936 B14R2.14 NCc1occc1-c2ccccc2 Amb18908922 [1,0,0,1,0,0|1,0,1]=4 937 B14R2.87 OCC1OC1\C=C\c2ccccc2 Amb28205977 [1,0,0,1,0,0|1,0,1]=4 938 B14R2.101 C(/Nc1ccccc1)=C2\CCCO2 Amb27453572 [1,0,0,1,0,0|1,0,0]=3 939 B14R2.101 C(/Sc1ccccc1)=C2/CCCN2 Amb27618452 [1,0,0,1,0,0|2,0,0]=4 940 B14R2.101 C(=C\C1CCCN1)/c2ccccc2 Amb23536589 [1,0,0,1,0,0|1,0,1]=4 941 B14R2.101 C(=C\C1CCCO1)/c2ccccc2 Amb4103388 [1,0,0,1,0,0|0,0,1]=3 942 B14R2.101 C(=C\C1OCCO1)/c2ccccc2 Amb26483959 [1,0,0,1,0,0|1,0,1]=4 943 B14R2.101 C(=C\c1ccccc1)/C2=NCCN2 Amb27474827 [1,0,0,1,0,0|2,0,0]=4 944 B14R2.101 C(=C\c1ccccc1)/C2=NCCS2 Amb28139613 [1,0,0,1,0,0|1,1,0]=4 945 B14R2.101 C(=N\C1CCCO1)/c2ccccc2 Amb26008253 [1,0,0,1,0,0|1,0,1]=4 946 B14R2.1253 C1=C(c2ccccc2)CCCCC1 Amb4001532 [1,0,0,1,0,0|1,0,1]=4 947 B14R2.1253 C1=CC(c2ccccc2)CCCC1 Amb4035375 [1,0,0,1,0,0|1,0,1]=4 948 B14R2.3018 C(=C\c1ccccc1)/CNC2CC2 Amb6865439 [1,0,0,1,0,0|1,0,1]=4 949 B14R2.3018 C(=C\c1ccccc1)/CNC2CC2 Amb9172372 [1,0,0,1,0,0|1,0,1]=4 950 B14R2.7150 BrCCc1cccc2ccccc12 Amb2721035 [1,0,0,1,0,0|2,0,0]=4 951 B14R2.7150 CCCc1cccc2cccnc12 Amb27630042 [1,0,0,1,0,0|2,0,0]=4 952 B14R2.7150 CCNc1cccc2ccccc12 Amb4313294 [1,0,0,1,0,0|2,0,0]=4 953 B14R2.7150 CCOc1cccc2ccccc12 Amb3100947 [1,0,0,1,0,0|2,0,0]=4 954 B14R2.7150 CCSc1cccc2ccccc12 Amb28316549 [1,0,0,1,0,0|2,0,0]=4 955 B14R2.7150 CNCc1cccc2ccccc12 Amb1115895 [1,0,0,1,0,0|2,0,0]=4 956 B14R2.7150 CNCc1cccc2ccccc12 Amb33531254 [1,0,0,1,0,0|2,0,0]=4 957 B14R2.7150 COCc1cccc2ccccc12 Amb28341769 [1,0,0,1,0,0|2,0,0]=4 958 B14R2.7150 CSC[n+]1cccc2ccccc21 Amb10573341 [1,0,0,1,0,0|2,0,0]=4 959 B14R2.7150 CSCc1cccc2ccccc12 Amb2613722 [1,0,0,1,0,0|2,0,0]=4 960 B14R2.7150 ICCc1cccc2ccccc12 Amb27808573 [1,0,0,1,0,0|2,0,0]=4 961 B14R2.7150 NCCc1cccc2ccccc12 Amb19373183 [1,0,0,1,0,0|2,0,0]=4 962 B14R2.7150 NCCc1cccc2ccccc12 Amb6245392 [1,0,0,1,0,0|2,0,0]=4 963 B14R2.7150 OCC[n+]1cccc2ccccc21 Amb3998310 [1,0,0,1,0,0|2,0,0]=4 964 B14R2.7150 OCCc1cccc2ccccc12 Amb2613650 [1,0,0,1,0,0|2,0,0]=4 965 B14R2.7150 SCCc1cccc2ccccc12 Amb25757447 [1,0,0,1,0,0|2,0,0]=4 966 B14R2.15 CCC1C(=O)CC1c2ccccc2 Amb27608698 [1,0,0,1,0,0|0,0,2]=4 967 B14R2.15 CCC1C(=O)NC1c2ccccc2 Amb2388317 [1,0,0,1,0,0|1,0,1]=4 968 B14R2.15 CC[C@@H]1C(=O)N[C@H]1c2ccccc2 Amb27640614 [1,0,0,1,0,0|1,0,1]=4 969 B14R2.21 N[C@@H]1C=C(c2ccccc2)CCC1 Amb27832427 [1,0,0,1,0,0|1,0,1]=4 970 B14R2.21 O=C1C=C(c2ccccc2)C=CO1 Amb27480961 [1,0,0,1,0,0|0,0,2]=4 971 B14R2.21 O=C1C=C(c2ccccc2)CCC1 Amb2613651 [1,0,0,1,0,0|0,0,0]=2 972 B14R2.21 O=C1C=C(c2ccccc2)OCC1 Amb22750040 [1,0,0,1,0,0|1,0,0]=3 973 B14R2.21 O=C1C=C(c2cccnc2)CCC1 Amb27837073 [1,0,0,1,0,0|1,0,0]=3 974 B14R2.21 O=C1C=C(c2cncnc2)CCC1 Amb27170240 [1,0,0,1,0,0|2,0,0]=4 975 B14R2.21 O=C1CC(c2ccccc2)CCO1 Amb22499444 [1,0,0,1,0,0|0,0,2]=4 976 B14R2.21 O=C1CCCC(c2ccccc2)C1 Amb18065540 [1,0,0,1,0,0|0,0,2]=4 977 B14R2.21 O=C1CCCC(c2ccccc2)N1 Amb2615419 [1,0,0,1,0,0|1,0,1]=4 978 B14R2.21 O=C1CCCN(c2ccccc2)N1 Amb4004671 [1,0,0,1,0,0|2,0,0]=4 979 B14R2.21 O=C1CCC[C@H](c2ccccc2)C1 Amb26881373 [1,0,0,1,0,0|0,0,2]=4 980 B14R2.21 O=C1C[C@@H](c2ccccc2)CCO1 Amb27187321 [1,0,0,1,0,0|0,0,2]=4 981 B14R2.21 O=C1NC(c2ccccc2)CCO1 Amb27481645 [1,0,0,1,0,0|1,0,1]=4 982 B14R2.21 O=C1NN(c2ccccc2)CCO1 Amb27826339 [1,0,0,1,0,0|2,0,0]=4 983 B14R2.21 OC1C=C(c2ccccc2)CCC1 Amb6360004 [1,0,0,1,0,0|0,0,2]=4 984 B14R2.112 BrCCc1ccc2ccccc2c1 Amb8439759 [1,0,0,1,0,0|2,0,0]=4 985 B14R2.112 BrCCc1ccc2ccccc2n1 Amb25113626 [1,0,0,1,0,0|2,0,0]=4 986 B14R2.112 CCC[n+]1ccc2ccccc2c1 Amb9825983 [1,0,0,1,0,0|2,0,0]=4 987 B14R2.112 CCCc1cc2ccccc2cn1 Amb27462348 [1,0,0,1,0,0|2,0,0]=4 988 B14R2.112 CCCc1ccc2ccccc2n1 Amb27265534 [1,0,0,1,0,0|1,0,0]=3 989 B14R2.112 CCCc1ccc2cccnc2n1 Amb27438611 [1,0,0,1,0,0|2,0,0]=4 990 B14R2.112 CCCc1ccc2ncccc2c1 Amb28067645 [1,0,0,1,0,0|2,0,0]=4 991 B14R2.112 CCNc1ccc2ccccc2c1 Amb7759811 [1,0,0,1,0,0|2,0,0]=4 992 B14R2.112 CCOc1cc2ccccc2cn1 Amb2610107 [1,0,0,1,0,0|2,0,0]=4 993 B14R2.112 CCOc1ccc2ccccc2c1 Amb4017891 [1,0,0,1,0,0|1,0,0]=3 994 B14R2.112 CCOc1ccc2cccnc2c1 Amb27772101 [1,0,0,1,0,0|2,0,0]=4 995 B14R2.112 CCOc1ccc2ncccc2c1 Amb19106597 [1,0,0,1,0,0|2,0,0]=4 996 B14R2.112 CCOc1ccc2ncccc2n1 Amb25900314 [1,0,0,1,0,0|2,0,0]=4 997 B14R2.112 CCSc1ccc2ccccc2c1 Amb24359866 [1,0,0,1,0,0|1,1,0]=4 998 B14R2.112 CCSc1ccc2ccccc2n1 Amb27972844 [1,0,0,1,0,0|1,1,0]=4 999 B14R2.112 CNCc1ccc2ccccc2c1 Amb1106022 [1,0,0,1,0,0|2,0,0]=4 1000 B14R2.112 CNCc1ccc2ccccc2n1 Amb6742539 [1,0,0,1,0,0|2,0,0]=4 1001 B14R2.112 CSCc1ccc2ccccc2c1 Amb4006802 [1,0,0,1,0,0|2,0,0]=4 1002 B14R2.112 CSCc1ccc2ccccc2n1 Amb27836677 [1,0,0,1,0,0|2,0,0]=4 1003 B14R2.112 NCCc1ccc2ccccc2c1 Amb6245305 [1,0,0,1,0,0|2,0,0]=4 1004 B14R2.112 NCCc1ccc2ccccc2c1 Amb7969583 [1,0,0,1,0,0|2,0,0]=4 1005 B14R2.112 NCCc1ccc2ccccc2n1 Amb6742401 [1,0,0,1,0,0|2,0,0]=4 1006 B14R2.112 NCCc1ccc2ccccc2n1 Amb9182400 [1,0,0,1,0,0|2,0,0]=4 1007 B14R2.112 OCCc1ccc2ccccc2c1 Amb3939094 [1,0,0,1,0,0|2,0,0]=4 1008 B14R2.112 OCCc1ccc2ccccc2n1 Amb4093502 [1,0,0,1,0,0|2,0,0]=4 1009 B14R2.112 SCCc1ccc2ccccc2c1 Amb28346891 [1,0,0,1,0,0|2,0,0]=4 1010 B14R2.112 SCCc1ccc2ccccc2n1 Amb26552663 [1,0,0,1,0,0|2,0,0]=4 1011 B14R2.203 CCN1C(=O)C=Cc2ccccc21 Amb22360524 [1,0,0,1,0,0|1,0,0]=3 1012 B14R2.203 CCN1C(=O)C=Cc2cccnc21 Amb26376360 [1,0,0,1,0,0|2,0,0]=4 1013 B14R2.203 CCN1C(=O)C=Nc2ccccc21 Amb26053521 [1,0,0,1,0,0|2,0,0]=4 1014 B14R2.203 CCN1C(=S)C=Cc2ccccc21 Amb20247294 [1,0,0,1,0,0|1,1,0]=4 1015 B14R2.203 CC[n+]1c(C)ccc2ccccc21 Amb1144527 [1,0,0,1,0,0|2,0,0]=4 1016 B14R2.203 CC[n+]1c(C)ccc2ccccc21 Amb2609772 [1,0,0,1,0,0|2,0,0]=4 1017 B14R2.203 CCc1c(N)ccc2ccccc12 Amb28322316 [1,0,0,1,0,0|1,0,1]=4 1018 B14R2.598 CC1CC(=O)CC1c2ccccc2 Amb27409582 [1,0,0,1,0,0|0,0,2]=4 1019 B14R2.598 CC1CC(=O)OC1c2ccccc2 Amb27429192 [1,0,0,1,0,0|1,0,1]=4 1020 B14R2.598 CC1OC(=O)NC1c2ccccc2 Amb25759483 [1,0,0,1,0,0|1,0,1]=4 1021 B14R2.598 C[C@H]1OC(=O)N[C@H]1c2ccccc2 Amb4090301 [1,0,0,1,0,0|1,0,1]=4 1022 B14R2.598 O=C1C=C(c2ccccc2)C(=O)O1 Amb2431774 [1,0,0,1,0,0|1,0,1]=4 1023 B14R2.598 O=C1C=C(c2ccccc2)C(O)O1 Amb28422312 [1,0,0,1,0,0|1,0,0]=3 1024 B14R2.2899 O=C(CCc1ccccc1)C2CC2 Amb6303743 [1,0,0,1,0,0|0,0,2]=4 1025 B14R2.2899 O=C(COc1ccccc1)C2CC2 Amb33512614 [1,0,0,1,0,0|1,0,1]=4 1026 B14R2.2899 O=C(CSc1ccccc1)C2CC2 Amb32682730 [1,0,0,1,0,0|1,0,1]=4 1027 B14R2.2899 O=C(\C=C/c1ccncc1)C2CC2 Amb27974604 [1,0,0,1,0,0|1,0,0]=3 1028 B14R2.2899 O=C(\C=C\c1ccccc1)C2CC2 Amb1796193 [1,0,0,1,0,0|0,0,0]=2 1029 B14R2.2899 O=C(\C=C\c1ccccn1)C2CC2 Amb28249412 [1,0,0,1,0,0|1,0,0]=3 1030 B14R2.2899 O=C(\C=C\c1ccncc1)C2CC2 Amb27878882 [1,0,0,1,0,0|1,0,0]=3 1031 B14R2.4656 NC1(\C=C\c2ccccc2)CCC1 Amb33081110 [1,0,0,1,0,0|1,0,1]=4 1032 B14R2.33858 CCOC(=O)C1Cc2ccccc21 Amb27872867 [1,0,0,1,0,0|0,0,2]=4 1033 B14R2.19 CC1COC(Nc2ccccc2)=N1 Amb27798313 [0,0,0,1,1,0|2,0,0]=4 1034 B14R2.39 CCCC1=C(c2ccccc2)C1=O Amb27261933 [0,0,0,1,1,0|1,0,0]=3 1035 B14R2.67 CCCCC1=Cc2ccccc2C1 Amb15692408 [0,0,0,1,1,0|2,0,0]=4 1036 B14R2.67 CCCCc1cc2ccccc2o1 Amb4019508 [0,0,0,1,1,0|1,0,1]=4 1037 B14R2.67 CCCSc1cc2ccccc2o1 Amb27968000 [0,0,0,1,1,0|0,1,1]=4 1038 B14R2.67 NCCOc1cc2ccccc2s1 Amb33312160 [0,0,0,1,1,0|1,1,0]=4 1039 B14R2.277 C[C@H]1CCC(=O)[C@@H]1c2ccccc2 Amb27855033 [0,0,0,1,1,0|1,0,1]=4 1040 B14R2.277 C[C@H]1CNC(=O)[C@H]1c2ccccc2 Amb27782414 [0,0,0,1,1,0|1,0,1]=4 1041 B14R2.277 NC1=C(c2ccccc2)C(=O)OC1 Amb27608580 [0,0,0,1,1,0|1,0,1]=4 1042 B14R2.277 O=C1OCC(Br)=C1c2ccccc2 Amb8394708 [0,0,0,1,1,0|1,0,1]=4 1043 B14R2.277 O=C1OCC(Cl)C1c2ccccc2 Amb27863423 [0,0,0,1,1,0|1,0,1]=4 1044 B14R2.287 CC1CCC(=O)Cc2ccccc21 Amb26029867 [0,0,0,1,1,0|1,0,1]=4 1045 B14R2.287 C[C@H]1CCC(=O)Nc2ccccc21 Amb27257904 [0,0,0,1,1,0|2,0,0]=4 1046 B14R2.343 CC1CC1C(=O)Nc2ccccc2 Amb8339873 [0,0,0,1,1,0|2,0,0]=4 1047 B14R2.391 O=C1CCCCc2ccccc2C1 Amb27260503 [0,0,0,1,1,0|1,0,1]=4 1048 B14R2.391 O=C1CCCCc2ccccc2N1 Amb27250578 [0,0,0,1,1,0|2,0,0]=4 1049 B14R2.391 O=C1CCCCc2ccccc2O1 Amb28242400 [0,0,0,1,1,0|2,0,0]=4 1050 B14R2.391 O=C1Cc2ccccc2CCCN1 Amb28252381 [0,0,0,1,1,0|1,0,1]=4 1051 B14R2.517 CCCC1C(=O)Nc2ccccc21 Amb17233120 [0,0,0,1,1,0|2,0,0]=4 1052 B14R2.517 CCCN1C(=O)Nc2ccccc21 Amb18034258 [0,0,0,1,1,0|2,0,0]=4 1053 B14R2.517 CCCn1c(=O)oc2ccccc21 Amb2834242 [0,0,0,1,1,0|2,0,0]=4 1054 B14R2.517 CCCn1c(=O)sc2ccccc21 Amb2916332 [0,0,0,1,1,0|2,0,0]=4 1055 B14R2.1146 CCC1=C2C=CC=CC2=CC(=O)N1 Amb27868485 [0,0,0,1,1,0|1,0,1]=4 1056 B14R2.1146 CCC1OC(=O)Nc2ccccc21 Amb27238489 [0,0,0,1,1,0|1,0,0]=3 1057 B14R2.1146 COC1OC(=O)Nc2ccccc21 Amb27607847 [0,0,0,1,1,0|2,0,0]=4 1058 B14R2.9589 O=C(Cc1ccccc1)C2CCC2 Amb18180445 [0,0,0,1,1,0|1,0,1]=4 1059 B14R2.9589 O=C(Nc1ccccc1)C2CCC2 Amb1205040 [0,0,0,1,1,0|2,0,0]=4 1060 B14R2.9589 O=C(Nc1ccccc1)N2CCC2 Amb25669364 [0,0,0,1,1,0|2,0,0]=4 1061 B14R2.9589 O=C(Oc1ccccc1)C2CCC2 Amb27479216 [0,0,0,1,1,0|2,0,0]=4 1062 B14R2.9589 O=C(Oc1ccccc1)N2CCC2 Amb25724473 [0,0,0,1,1,0|2,0,0]=4 1063 B14R2.9593 O=C(CC1CC1)Nc2ccccc2 Amb25820905 [0,0,0,1,1,0|2,0,0]=4 1064 B14R2.9593 O=C(Cc1ccccc1)NC2CC2 Amb16191813 [0,0,0,1,1,0|1,0,1]=4 1065 B14R2.9593 O=C(NC1CC1)Oc2ccccc2 Amb27817830 [0,0,0,1,1,0|2,0,0]=4 1066 B14R2.9593 O=C(Nc1ccccc1)NC2CC2 Amb6532091 [0,0,0,1,1,0|2,0,0]=4 1067 B14R2.9593 O=C(Nc1ccccc1)OC2CC2 Amb26348326 [0,0,0,1,1,0|1,0,0]=3 1068 B14R2.50 O=C1CCCC\C1=C/c2ccco2 Amb5494134 [0,0,0,1,1,0|2,0,0]=4 1069 B14R2.50 O=C1CCCC\C1=C/c2cccs2 Amb2371308 [0,0,0,1,1,0|2,0,0]=4 1070 B14R2.50 O=C1CCCC\C1=C\c2ccco2 Amb1159142 [0,0,0,1,1,0|2,0,0]=4 1071 B14R2.50 O=C1CCCC\C1=C\c2cccs2 Amb1155087 [0,0,0,1,1,0|2,0,0]=4 1072 B14R2.388 O=C1C=C(c2ccoc2)CCCC1 Amb28316830 [0,0,0,1,1,0|2,0,0]=4 1073 B14R2.4572 CC1CCC(=O)\C1=C\c2ccco2 Amb27772758 [0,0,0,1,1,0|2,0,0]=4 1074 B14R2.13184 O=C(\C=C\c1ccco1)NC2CC2 Amb3367237 [0,0,0,1,1,0|2,0,0]=4 1075 B14R2.13184 O=C(\C=C\c1cccs1)NC2CC2 Amb400185 [0,0,0,1,1,0|2,0,0]=4 1076 B14R2.13184 O=C(\C=C\c1ccsc1)NC2CC2 Amb27479276 [0,0,0,1,1,0|2,0,0]=4 1077 B14R2.40225 O=C(\C=C\c1ccsc1)N2CCC2 Amb27852983 [0,0,0,1,1,0|2,0,0]=4 1078 B16R2.37 CCSCC(=O)c1coc2ccccc12 Amb9668577 [0,0,0,1,0,1|2,0,0]=4 1079 B16R2.37 CC\C=C\C(=O)c1coc2ccccc12 Amb30014005 [0,0,0,1,0,1|1,0,1]=4 1080 B16R2.37 O=C(NCCI)c1csc2ccccc12 Amb28435904 [0,0,0,1,0,1|2,0,0]=4 1081 B16R2.71 O=C1CCCC\C1=C\Nc2ccccc2 Amb2386732 [0,0,0,1,0,1|1,0,0]=3 1082 B16R2.71 O=C1CCCC\C1=N/Nc2ccccc2 Amb9810486 [0,0,0,1,0,1|2,0,0]=4 1083 B16R2.150 CCCNc1nc(-c2ccccc2)cs1 Amb10073500 [0,0,0,1,0,1|2,0,0]=4 1084 B16R2.150 NCCOc1ccc(-c2ccccc2)s1 Amb33175576 [0,0,0,1,0,1|1,1,0]=4 1085 B16R2.2948 CC1COC(=O)C1NCc2ccccc2 Amb28184826 [0,0,0,1,0,1|0,0,2]=4 1086 B16R2.3253 O=C1C=C(Cc2ccccn2)CCCC1 Amb27240549 [0,0,0,1,0,1|2,0,0]=4 1087 B16R2.3253 O=C1C=C(Cc2cccnc2)CCCC1 Amb28456667 [0,0,0,1,0,1|2,0,0]=4 1088 B16R2.3253 O=C1C=C(Cc2ccncc2)CCCC1 Amb28280379 [0,0,0,1,0,1|2,0,0]=4 1089 B16R2.3602 CCCC1C(=O)NN=C1c2ccccc2 Amb7093936 [0,0,0,1,0,1|2,0,0]=4 1090 B16R2.3602 CCCn1c(-c2ccccc2)cnc1Cl Amb7093902 [0,0,0,1,0,1|2,0,0]=4 1091 B16R2.3602 CCCn1c(C)ccc1-c2ccccc2 Amb17236965 [0,0,0,1,0,1|2,0,0]=4 1092 B16R2.69 O=C1COCCCN1Cc2ccccc2 Amb16186654 [0,1,0,1,0,0|1,0,1]=4 1093 B16R2.2238 O=C(NCc1ccccc1)C2CCCO2 Amb154462 [0,1,0,1,0,0|1,0,1]=4 1094 B16R2.2238 O=C(NCc1ccccc1)N2CCCO2 Amb27833080 [0,1,0,1,0,0|1,0,1]=4 1095 B16R2.2238 O=C(NCc1ccccc1)[C@@H]2CCCO2 Amb27842918 [0,1,0,1,0,0|1,0,1]=4 1096 B16R2.2238 O=C(NCc1ccccc1)[C@H]2CCCO2 Amb27649318 [0,1,0,1,0,0|1,0,1]=4 1097 B16R2.2238 O=C(OCc1ccccc1)C2CCCO2 Amb25061813 [0,1,0,1,0,0|1,0,1]=4 1098 B16R2.2441 BrCCCOc1ccc2ccccc2c1 Amb2231590 [0,1,0,1,0,0|1,0,0]=3 1099 B16R2.2441 BrCCCOc1ccc2ncccc2c1 Amb17272079 [0,1,0,1,0,0|2,0,0]=4 1100 B16R2.2441 CCCCOc1ccc2ccccc2c1 Amb3836169 [0,1,0,1,0,0|1,0,0]=3 1101 B16R2.2441 CCCCOc1ccc2ncccc2c1 Amb19108435 [0,1,0,1,0,0|2,0,0]=4 1102 B16R2.2441 CCCNCc1ccc2ccccc2c1 Amb6665841 [0,1,0,1,0,0|2,0,0]=4 1103 B16R2.2441 CNCCOc1ccc2ccccc2c1 Amb7761798 [0,1,0,1,0,0|1,0,0]=3 1104 B16R2.2441 CNCCOc1ccc2ncccc2c1 Amb22642611 [0,1,0,1,0,0|2,0,0]=4 1105 B16R2.2441 CNCCOc1ccc2ncccc2c1 Amb32662269 [0,1,0,1,0,0|2,0,0]=4 1106 B16R2.2441 ClCCCOc1ccc2ccccc2c1 Amb6662694 [0,1,0,1,0,0|1,0,0]=3 1107 B16R2.2441 ClCCCOc1ccc2ncccc2c1 Amb17245288 [0,1,0,1,0,0|2,0,0]=4 1108 B16R2.2441 NCCCCc1ccc2ccccc2c1 Amb18049792 [0,1,0,1,0,0|2,0,0]=4 1109 B16R2.2441 NCCCCc1ccc2ccccc2n1 Amb33380484 [0,1,0,1,0,0|2,0,0]=4 1110 B16R2.2441 NCCCOc1ccc2ccccc2c1 Amb1135799 [0,1,0,1,0,0|1,0,0]=3 1111 B16R2.2441 NCCCOc1ccc2ccccc2n1 Amb18308517 [0,1,0,1,0,0|1,0,0]=3 1112 B16R2.2441 NCCCOc1ccc2cccnc2c1 Amb18355161 [0,1,0,1,0,0|2,0,0]=4 1113 B16R2.2441 NCCCOc1ccc2ccncc2c1 Amb19107941 [0,1,0,1,0,0|2,0,0]=4 1114 B16R2.2441 NCCCOc1ccc2ncccc2c1 Amb18355162 [0,1,0,1,0,0|2,0,0]=4 1115 B16R2.2441 NCCCOc1ccc2ncccc2c1 Amb32662402 [0,1,0,1,0,0|2,0,0]=4 1116 B16R2.2441 NCCCOc1cnc2ccccc2c1 Amb33171990 [0,1,0,1,0,0|2,0,0]=4 1117 B16R2.2441 NCCCOc1cnc2ccccc2n1 Amb18309344 [0,1,0,1,0,0|2,0,0]=4 1118 B16R2.2441 NNCCOc1ccc2ccccc2c1 Amb17402559 [0,1,0,1,0,0|2,0,0]=4 1119 B16R2.2441 NOCCOc1ccc2ccccc2c1 Amb17088333 [0,1,0,1,0,0|2,0,0]=4 1120 B16R2.2441 O=CCCOc1ccc2ccccc2c1 Amb5731790 [0,1,0,1,0,0|1,0,1]=4 1121 B16R2.2441 OCCCCc1ccc2ccccc2c1 Amb33716158 [0,1,0,1,0,0|2,0,0]=4 1122 B16R2.2441 OCCCOc1ccc2ccccc2c1 Amb9370699 [0,1,0,1,0,0|1,0,0]=3 1123 B16R2.2441 OCCCOc1ccc2ncccc2c1 Amb17105039 [0,1,0,1,0,0|2,0,0]=4 1124 B16R2.2441 ONCCOc1ccc2ccccc2c1 Amb17088459 [0,1,0,1,0,0|2,0,0]=4 1125 B16R2.2441 SCCCOc1ccc2ccccc2c1 Amb17243345 [0,1,0,1,0,0|1,0,0]=3 1126 B16R2.2441 SCCCOc1ccc2ncccc2c1 Amb17243779 [0,1,0,1,0,0|2,0,0]=4 1127 B16R2.2446 O=C1OC[C@H](CO)N1Cc2ccccc2 Amb24523369 [0,1,0,1,0,0|1,0,1]=4 1128 B16R2.2446 O=C1ON=C(CCl)\C1=C/c2ccccc2 Amb9901468 [0,1,0,1,0,0|1,0,1]=4 1129 B16R2.3259 CC1COCC(=O)N1Cc2ccccc2 Amb26514208 [0,1,0,1,0,0|1,0,1]=4 1130 B16R2.30013 CCNCc1c(C)ccc2ccccc12 Amb18940581 [0,1,0,1,0,0|2,0,0]=4 1131 B16R2.30013 CCNCc1c(O)ccc2ccccc12 Amb6281029 [0,1,0,1,0,0|1,0,1]=4 1132 B16R2.30013 CNCCc1c(O)ccc2ccccc12 Amb18940610 [0,1,0,1,0,0|1,0,1]=4 1133 B16R2.30013 NCCCN1C(=O)C=Cc2ccccc21 Amb18563359 [0,1,0,1,0,0|1,0,0]=3 1134 B16R2.30013 NCCCN1C(=O)C=Nc2ccccc21 Amb18038055 [0,1,0,1,0,0|2,0,0]=4 1135 B16R2.30013 NCCCc1c(O)ccc2ccccc12 Amb17477148 [0,1,0,1,0,0|1,0,1]=4 1136 B16R2.30013 NCCOc1c(O)ccc2ccccc12 Amb33420534 [0,1,0,1,0,0|1,0,1]=4 1137 B16R2.30013 O=C1C=Cc2ccccc2N1CCCBr Amb24587078 [0,1,0,1,0,0|1,0,0]=3 1138 B16R2.30013 O=C1C=Cc2ccccc2N1CCCCl Amb27950184 [0,1,0,1,0,0|1,0,0]=3 1139 B16R2.30013 O=CCCN1C(=O)C=Cc2ccccc21 Amb27668498 [0,1,0,1,0,0|1,0,1]=4 1140 B16R2.30013 OCCCc1c(O)ccc2ccccc12 Amb17477167 [0,1,0,1,0,0|1,0,1]=4 1141 B16R2.30013 Oc1ccc2ccccc2c1CCCBr Amb33336297 [0,1,0,1,0,0|1,0,1]=4 1142 B16R2.30013 Oc1ccc2ccccc2c1CCCS Amb33419594 [0,1,0,1,0,0|1,0,1]=4 1143 B16R2.44153 O=C(NCc1ccccc1)OC[C@H]2CO2 Amb27879548 [0,1,0,1,0,0|1,0,1]=4 1144 B16R2.44153 O=C(OCc1ccccc1)OCC2CO2 Amb27663559 [0,1,0,1,0,0|1,0,1]=4 1145 B16R2.19 CCC1=NC(c2ccccc2)=CC(=O)N1 Amb19090235 [0,1,0,1,0,0|1,0,1]=4 1146 B16R2.88 O=C(C=C1CCCCC1)c2ccccc2 Amb27494134 [0,1,0,1,0,0|2,0,0]=4 1147 B16R2.551 CCCn1nc(-c2ccccc2)cc1N Amb18974275 [0,1,0,1,0,0|2,0,0]=4 1148 B16R2.1054 CCCCc1cc(Cl)c2ccccc2n1 Amb22497152 [0,1,0,1,0,0|2,0,0]=4 1149 B16R2.1054 CCCOc1cc(N)c2ccccc2n1 Amb32669487 [0,1,0,1,0,0|1,0,0]=3 1150 B16R2.3896 O=C1CCCCC1C(=O)c2ccccc2 Amb1783552 [0,1,0,1,0,0|1,0,1]=4 1151 B16R2.3896 O=C1CCCCN1C(=O)c2ccccc2 Amb15690781 [0,1,0,1,0,0|2,0,0]=4 1152 B16R2.4101 CC1CC1C(=O)CC(=O)c2ccccc2 Amb33355829 [0,1,0,1,0,0|1,0,1]=4 1153 B16R2.11321 O=C(CC(=O)C1CCC1)c2ccccc2 Amb33355550 [0,1,0,1,0,0|1,0,1]=4 1154 B16R2.27712 CC(NC(=O)OC1CC1)c2ccccc2 Amb32697641 [0,1,0,1,0,0|1,0,1]=4 1155 B16R2.44545 CCCn1c(=O)oc(=O)c2ccccc21 Amb2796141 [0,1,0,1,0,0|2,0,0]=4 1156 B16R2.44545 CCCn1c(=S)cc(C)c2ccccc21 Amb24070481 [0,1,0,1,0,0|1,1,0]=4 1157 B16R2.1293 CCCOc1ccc2cccc(N)c2c1 Amb31094514 [0,1,0,1,0,0|1,0,0]=3 1158 B16R2.1293 CCCOc1ccc2cccc(O)c2c1 Amb35745079 [0,1,0,1,0,0|1,0,0]=3 1159 B16R2.2923 Cc1cccc(\C=C2/CCCCC2=O)c1 Amb31112222 [0,1,0,1,0,0|1,0,0]=3 1160 B16R2.2923 O=C1CCCC\C1=C/c2cccc(Br)c2 Amb32439054 [0,1,0,1,0,0|1,0,0]=3 1161 B16R2.2923 O=C1CCCC\C1=C/c2cccc(Cl)c2 Amb31181642 [0,1,0,1,0,0|1,0,0]=3 1162 B16R2.2923 O=C1CCCC\C1=C/c2cccc(F)c2 Amb31112656 [0,1,0,1,0,0|1,0,0]=3 1163 B16R2.3252 O=C1C=C(c2cccc(Br)c2)CCCC1 Amb30021789 [0,1,0,1,0,0|1,0,0]=3 1164 B16R2.11914 Nc1cccc(\C=C\C(=O)NC2CC2)c1 Amb17139868 [0,1,0,1,0,0|1,0,0]=3 1165 B16R2.30336 CCCOc1ccc2cc(Br)ccc2c1 Amb22728882 [0,1,0,1,0,0|1,0,0]=3 1166 B16R2.30336 CCCOc1ccc2cc(O)ccc2c1 Amb32721024 [0,1,0,1,0,0|1,0,0]=3 1167 B16R2.30336 CCCOc1ccc2nc(Br)ccc2c1 Amb27970243 [0,1,0,1,0,0|2,0,0]=4 1168 B16R2.30336 COCOc1ccc2cc(Br)ccc2c1 Amb26345369 [0,1,0,1,0,0|2,0,0]=4 1169 B16R2.30336 ClCCOc1ccc2cc(Br)ccc2c1 Amb8828441 [0,1,0,1,0,0|2,0,0]=4 1170 B16R2.30336 FCCOc1ccc2cc(Br)ccc2c1 Amb27454469 [0,1,0,1,0,0|2,0,0]=4 1171 B16R2.30336 NCCOc1ccc2cc(Br)ccc2c1 Amb10610366 [0,1,0,1,0,0|2,0,0]=4 1172 B16R2.30336 NCCOc1ccc2cc(Br)ccc2c1 Amb6262521 [0,1,0,1,0,0|2,0,0]=4 1173 B16R2.30336 OCCOc1ccc2cc(Br)ccc2c1 Amb9245004 [0,1,0,1,0,0|2,0,0]=4 1174 B16R2.366386 NCCN1C(=O)C=Cc2cccc(Br)c21 Amb31164976 [0,1,0,1,0,0|2,0,0]=4 1175 B16R2.366386 NCCN1C(=O)C=Cc2cccc(Cl)c21 Amb31124299 [0,1,0,1,0,0|2,0,0]=4 1176 B16R2.1129 Cc1ccc(\C=C2/CCCCC2=O)cc1 Amb31112223 [0,1,0,1,0,0|1,0,0]=3 1177 B16R2.1129 O=C1CCCC\C1=C/c2ccc(Br)cc2 Amb23463152 [0,1,0,1,0,0|1,0,0]=3 1178 B16R2.1129 O=C1CCCC\C1=C/c2ccc(Cl)cc2 Amb23526998 [0,1,0,1,0,0|1,0,0]=3 1179 B16R2.1129 O=C1CCCC\C1=C/c2ccc(F)cc2 Amb32439053 [0,1,0,1,0,0|1,0,0]=3 1180 B16R2.1129 O=C1CCCC\C1=C/c2ccc(O)cc2 Amb18653945 [0,1,0,1,0,0|1,0,0]=3 1181 B16R2.1285 CCCCc1ccc2ccc(O)cc2c1 Amb32751564 [0,1,0,1,0,0|2,0,0]=4 1182 B16R2.1285 CCCOc1ccc2ncc(N)cc2c1 Amb23580246 [0,1,0,1,0,0|2,0,0]=4 1183 B16R2.11542 O=C1C=C(c2ccc(Br)cc2)CCCC1 Amb30021783 [0,1,0,1,0,0|1,0,0]=3 1184 B16R2.366387 Cc1ccc2c(c1)N(CCN)C(=O)C=C2 Amb31142545 [0,1,0,1,0,0|2,0,0]=4 1185 B16R2.366387 NCCN1C(=O)C=Cc2ccc(Cl)cc21 Amb31124297 [0,1,0,1,0,0|2,0,0]=4 1186 B16R2.366387 NCCN1C(=O)C=Cc2ccc(F)cc21 Amb31142968 [0,1,0,1,0,0|2,0,0]=4 1187 B16R2.1056 CCCOc1nc2ccccc2nc1Cl Amb22476350 [0,1,0,1,0,0|2,0,0]=4 1188 B16R2.1056 CCCOc1nc2ccccc2nc1F Amb35593854 [0,1,0,1,0,0|2,0,0]=4 1189 B16R2.2128 CCSCC(=O)c1cc2ccccc2o1 Amb9231576 [0,1,0,1,0,0|2,0,0]=4 1190 B16R2.2128 NCCCC(=O)c1cc2ccccc2o1 Amb18785935 [0,1,0,1,0,0|2,0,0]=4 1191 B16R2.2128 O=C(NCCCl)c1cc2ccccc2o1 Amb27390126 [0,1,0,1,0,0|2,0,0]=4 1192 B16R2.2128 O=C(NCCI)c1cc2ccccc2o1 Amb27488092 [0,1,0,1,0,0|2,0,0]=4 1193 B16R2.27766 O=C(Cc1ccccc1)C(=O)NC2CC2 Amb17402667 [0,1,0,1,0,0|1,0,1]=4 1194 B16R2.44621 CC1=Cc2ccccc2N(CCN)C1=O Amb18559587 [0,1,0,1,0,0|2,0,0]=4 1195 B16R2.312 O=C1CC\C(=C/c2ccccc2)C(=O)O1 Amb17471013 [0,1,0,1,0,0|0,0,1]=3 1196 B16R2.312 O=C1CC\C(=C/c2ccccn2)C(=O)O1 Amb17471022 [0,1,0,1,0,0|1,0,1]=4 1197 B16R2.312 O=C1CC\C(=C/c2cccnc2)C(=O)O1 Amb17471023 [0,1,0,1,0,0|1,0,1]=4 1198 B16R2.312 O=C1CC\C(=C/c2ccncc2)C(=O)O1 Amb17471024 [0,1,0,1,0,0|1,0,1]=4 1199 B16R2.5347 CC(CBr)Oc1ccc2ccccc2c1 Amb17271457 [0,1,0,1,0,0|2,0,0]=4 1200 B16R2.5347 CC(CCl)Oc1ccc2ccccc2c1 Amb17244663 [0,1,0,1,0,0|2,0,0]=4 1201 B16R2.5347 CC(CO)Oc1ccc2ccccc2c1 Amb2642901 [0,1,0,1,0,0|2,0,0]=4 1202 B16R2.5347 CCC(Br)Cc1ccc2ccccc2c1 Amb18548932 [0,1,0,1,0,0|2,0,0]=4 1203 B16R2.5347 CCC(Cl)Cc1ccc2ccccc2n1 Amb27834391 [0,1,0,1,0,0|2,0,0]=4 1204 B16R2.767 CCCC(=O)c1ccc2ccccc2c1 Amb19067000 [0,1,0,1,0,0|2,0,0]=4 1205 B16R2.767 CCCC(Cl)c1ccc2ccccc2c1 Amb27656977 [0,1,0,1,0,0|2,0,0]=4 1206 B16R2.4062 Cc1ccccc1\C=C2/CCCCC2=O Amb31112221 [0,1,0,1,0,0|1,0,0]=3 1207 B16R2.4062 O=C1CCCC\C1=C/c2ccccc2Br Amb31115502 [0,1,0,1,0,0|1,0,0]=3 1208 B16R2.4062 O=C1CCCC\C1=C/c2ccccc2Cl Amb4016723 [0,1,0,1,0,0|1,0,0]=3 1209 B16R2.4062 O=C1CCCC\C1=C/c2ccccc2F Amb31112655 [0,1,0,1,0,0|1,0,0]=3 1210 B16R2.4062 O=C1CCCC\C1=C/c2ccccc2O Amb18653947 [0,1,0,1,0,0|1,0,0]=3 1211 B16R2.14422 O=C1C=C(c2ccccc2Cl)CCCC1 Amb28145611 [0,1,0,1,0,0|1,0,0]=3 1212 B16R2.14422 O=C1C=C(c2ccncc2F)CCCC1 Amb27421179 [0,1,0,1,0,0|2,0,0]=4 1213 B16R2.163604 CCCOc1ccc2c(Cl)nccc2c1 Amb17216946 [0,1,0,1,0,0|2,0,0]=4 1214 B16R2.163604 CCCOc1ccc2c(N)cccc2c1 Amb31094510 [0,1,0,1,0,0|1,0,0]=3 1215 B16R2.163604 CCCOc1ccc2c(N)nccc2c1 Amb17216967 [0,1,0,1,0,0|2,0,0]=4 1216 B16R2.163604 CCCOc1ccc2c(c1)C=CNC2=O Amb18034942 [0,1,0,1,0,0|2,0,0]=4 1217 B16R2.172 O=CC1=C(Sc2ccccc2)CCCC1 Amb424004 [0,1,0,1,0,0|2,0,0]=4 1218 B16R2.2942 BrCCOc1ccc2ccccc2c1Br Amb2610614 [0,1,0,1,0,0|2,0,0]=4 1219 B16R2.2942 CCCOc1ccc2ccccc2c1Br Amb24441351 [0,1,0,1,0,0|1,0,0]=3 1220 B16R2.2942 CCCOc1ccc2ccccc2c1N Amb18054415 [0,1,0,1,0,0|1,0,0]=3 1221 B16R2.2942 ClCCOc1ccc2ccccc2c1Br Amb28065398 [0,1,0,1,0,0|2,0,0]=4 1222 B16R2.2942 [NH3+]CCOc1ccc2ccccc2c1Cl Amb32411030 [0,1,0,1,0,0|2,0,0]=4 1223 B16R2.105078 CCOc1c(C=O)ccc2ccccc12 Amb2613510 [0,1,0,1,0,0|2,0,0]=4 1224 B16R2.333 CC(Br)Cc1c(O)ccc2ccccc12 Amb33336337 [0,1,0,1,0,0|1,0,1]=4 1225 B16R2.333 CC(O)Cc1c(O)ccc2ccccc12 Amb32954366 [0,1,0,1,0,0|1,0,1]=4 1226 B16R2.333 C[C@@H](N)Cc1c(O)ccc2ccccc12 Amb33421059 [0,1,0,1,0,0|1,0,1]=4 1227 B16R2.333 C[C@@H](O)Cc1c(O)ccc2ccccc12 Amb33421057 [0,1,0,1,0,0|1,0,1]=4 1228 B16R2.333 C[C@H](N)Cc1c(O)ccc2ccccc12 Amb33421058 [0,1,0,1,0,0|1,0,1]=4 1229 B16R2.333 C[C@H](O)Cc1c(O)ccc2ccccc12 Amb32953611 [0,1,0,1,0,0|1,0,1]=4 1230 B16R2.477 CC(Cl)CCc1ccc2ccccc2c1 Amb27873054 [0,1,0,1,0,0|2,0,0]=4 1231 B16R2.477 CC(Cl)CNc1ccc2ccccc2n1 Amb27809548 [0,1,0,1,0,0|2,0,0]=4 1232 B16R2.477 CC(N)CCc1ccc2ccccc2c1 Amb33359116 [0,1,0,1,0,0|2,0,0]=4 1233 B16R2.477 CC(N)CCc1ccc2ccccc2n1 Amb32952925 [0,1,0,1,0,0|2,0,0]=4 1234 B16R2.477 CC(N)COc1ccc2ncccc2c1 Amb22642661 [0,1,0,1,0,0|2,0,0]=4 1235 B16R2.477 CC(N)COc1ccc2ncccc2c1 Amb32662159 [0,1,0,1,0,0|2,0,0]=4 1236 B16R2.477 CC(O)CCc1ccc2ccccc2c1 Amb33429892 [0,1,0,1,0,0|2,0,0]=4 1237 B16R2.477 CC(O)CCc1ccc2ccccc2n1 Amb33450015 [0,1,0,1,0,0|2,0,0]=4 1238 B16R2.477 CC(O)COc1ccc2ccccc2c1 Amb22339930 [0,1,0,1,0,0|1,0,0]=3 1239 B16R2.477 C[C@@H](N)CCc1ccc2ccccc2c1 Amb33474915 [0,1,0,1,0,0|2,0,0]=4 1240 B16R2.477 C[C@@H](N)CCc1ccc2ccccc2n1 Amb33201377 [0,1,0,1,0,0|2,0,0]=4 1241 B16R2.477 C[C@@H](N)COc1ccc2ccccc2c1 Amb18538578 [0,1,0,1,0,0|1,0,0]=3 1242 B16R2.477 C[C@@H](N)COc1ccc2ncccc2c1 Amb18538581 [0,1,0,1,0,0|2,0,0]=4 1243 B16R2.477 C[C@@H](O)CCc1ccc2ccccc2c1 Amb33362161 [0,1,0,1,0,0|2,0,0]=4 1244 B16R2.477 C[C@@H](O)CCc1ccc2ccccc2n1 Amb33201378 [0,1,0,1,0,0|2,0,0]=4 1245 B16R2.477 C[C@H](N)CCc1ccc2ccccc2c1 Amb33079342 [0,1,0,1,0,0|2,0,0]=4 1246 B16R2.477 C[C@H](N)CCc1ccc2ccccc2n1 Amb33201376 [0,1,0,1,0,0|2,0,0]=4 1247 B16R2.477 C[C@H](O)CCc1ccc2ccccc2c1 Amb33362162 [0,1,0,1,0,0|2,0,0]=4 1248 B16R2.477 C[C@H](O)CCc1ccc2ccccc2n1 Amb33201379 [0,1,0,1,0,0|2,0,0]=4 1249 B16R3.335 CC1Cc2c(ccc3ccccc23)N1 Amb27165999 [0,0,0,2,0,0|2,0,0]=4 1250 B16R3.17959 O=C1NC2(c3ccccc3)CC2CO1 Amb27234774 [0,0,0,2,0,0|1,0,1]=4 1251 B16R3.17959 O=C1N[C@]2(c3ccccc3)C[C@@H]2CO1 Amb28435681 [0,0,0,2,0,0|1,0,1]=4 1252 B16R3.1720 c1ccc2cc3c(cc2c1)CCCN3 Amb25771744 [0,0,0,2,0,0|2,0,0]=4 1253 B16R3.1720 c1ccc2nc3c(cc2c1)CCCN3 Amb27203829 [0,0,0,2,0,0|2,0,0]=4 1254 B16R3.3329 O=C1CCCn2c1cc3ccccc32 Amb18822497 [0,0,0,2,0,0|2,0,0]=4 1255 B16R3.17428 NC1COc2cc3ccccc3cc21 Amb27640287 [0,0,0,2,0,0|2,0,0]=4 1256 B16R3.17428 N[C@H]1COc2cc3ccccc3cc21 Amb28313751 [0,0,0,2,0,0|2,0,0]=4 1257 B16R3.17428 O=C1OCC2Cc3ccccc3CN12 Amb22643151 [0,0,0,2,0,0|1,0,1]=4 1258 B16R3.17428 O=C1OCc2cc3ccccc3cc21 Amb4010632 [0,0,0,2,0,0|0,0,2]=4 1259 B16R3.63903 c1ccc2ncc(OC3CC3)cc2c1 Amb27600343 [0,0,0,2,0,0|2,0,0]=4 1260 B16R3.411 Oc1ccc2ccccc2c1C3CC3 Amb27612584 [0,0,0,2,0,0|1,0,1]=4 1261 B12R1.32 CCCC(=O)Cc1ccccc1 Amb3940679 [1,0,0,0,1,0|0,0,1]=3 1262 B12R1.32 CCCC(=O)Nc1ccccc1 Amb5794989 [1,0,0,0,1,0|1,0,0]=3 1263 B12R1.32 CCCC(=O)Nc1ccccn1 Amb5794992 [1,0,0,0,1,0|2,0,0]=4 1264 B12R1.32 CCCC(=O)Nc1ccncc1 Amb3367511 [1,0,0,0,1,0|2,0,0]=4 1265 B12R1.32 CCCC(=O)Oc1ccccc1 Amb3103918 [1,0,0,0,1,0|1,0,0]=3 1266 B12R1.32 CCC\C(I)=C/c1ccccc1 Amb22546627 [1,0,0,0,1,0|1,0,0]=3 1267 B12R1.32 CCNC(=O)Nc1ccccc1 Amb1233665 [1,0,0,0,1,0|2,0,0]=4 1268 B12R1.32 CCNC(=O)Oc1ccccc1 Amb2732291 [1,0,0,0,1,0|2,0,0]=4 1269 B12R1.32 CCOC(=N)Cc1ccccc1 Amb20673132 [1,0,0,0,1,0|1,0,1]=4 1270 B12R1.32 CCOC(=N)Cc1ccccc1 Amb2612454 [1,0,0,0,1,0|1,0,1]=4 1271 B12R1.32 CCOC(=O)C[n+]1ccccc1 Amb2794684 [1,0,0,0,1,0|1,0,1]=4 1272 B12R1.32 CCOC(=O)C[n+]1ccccc1 Amb3428028 [1,0,0,0,1,0|1,0,1]=4 1273 B12R1.32 CCOC(=O)Cc1ccccc1 Amb3940130 [1,0,0,0,1,0|0,0,1]=3 1274 B12R1.32 CCOC(=O)Cc1ccccn1 Amb2724370 [1,0,0,0,1,0|1,0,1]=4 1275 B12R1.32 CCOC(=O)Cc1cccnc1 Amb6356440 [1,0,0,0,1,0|1,0,1]=4 1276 B12R1.32 CCOC(=O)Cc1ccncc1 Amb20621993 [1,0,0,0,1,0|1,0,1]=4 1277 B12R1.32 CCOC(=O)Cc1ccncc1 Amb6357492 [1,0,0,0,1,0|1,0,1]=4 1278 B12R1.32 CCOC(=O)Nc1ccccc1 Amb3101817 [1,0,0,0,1,0|1,0,0]=3 1279 B12R1.32 CCOC(=O)Nc1ccccn1 Amb2609641 [1,0,0,0,1,0|2,0,0]=4 1280 B12R1.32 CCOC(=O)Nc1cccnc1 Amb6892831 [1,0,0,0,1,0|2,0,0]=4 1281 B12R1.32 CCOC(=O)Nc1ccncc1 Amb2692772 [1,0,0,0,1,0|2,0,0]=4 1282 B12R1.32 CCOC(=S)Nc1ccccc1 Amb4017698 [1,0,0,0,1,0|1,1,0]=4 1283 B12R1.32 CCO\C(C)=N\c1ccccc1 Amb17939699 [1,0,0,0,1,0|2,0,0]=4 1284 B12R1.32 CCSC(=O)Nc1ccccc1 Amb24310273 [1,0,0,0,1,0|1,1,0]=4 1285 B12R1.32 CNCC(=O)Cc1ccccc1 Amb32954289 [1,0,0,0,1,0|1,0,1]=4 1286 B12R1.32 CNCC(=O)Cc1ccccc1 Amb8628392 [1,0,0,0,1,0|1,0,1]=4 1287 B12R1.32 CNCC(=O)Nc1ccccc1 Amb6246115 [1,0,0,0,1,0|2,0,0]=4 1288 B12R1.32 CNCC(=O)Nc1ccccc1 Amb6893116 [1,0,0,0,1,0|2,0,0]=4 1289 B12R1.32 CNC\C(C)=C\c1ccccc1 Amb17100030 [1,0,0,0,1,0|2,0,0]=4 1290 B12R1.32 COCC(=O)Cc1ccccc1 Amb9665963 [1,0,0,0,1,0|1,0,1]=4 1291 B12R1.32 COCC(=O)Nc1ccccc1 Amb3115714 [1,0,0,0,1,0|2,0,0]=4 1292 B12R1.32 CSCC(=O)Cc1ccccc1 Amb18796330 [1,0,0,0,1,0|1,0,1]=4 1293 B12R1.32 CSCC(=O)Nc1ccccc1 Amb2373904 [1,0,0,0,1,0|2,0,0]=4 1294 B12R1.32 C\C(=C/c1ccccc1)CCBr Amb18063581 [1,0,0,0,1,0|2,0,0]=4 1295 B12R1.32 C\C(=C/c1ccccc1)CCN Amb18063553 [1,0,0,0,1,0|2,0,0]=4 1296 B12R1.32 C\C(=C/c1ccccc1)CCO Amb27792195 [1,0,0,0,1,0|2,0,0]=4 1297 B12R1.32 C\C(=C/c1ccccc1)CCS Amb33381247 [1,0,0,0,1,0|2,0,0]=4 1298 B12R1.32 C\C(=C\c1ccccc1)CCBr Amb27445443 [1,0,0,0,1,0|2,0,0]=4 1299 B12R1.32 C\C(=C\c1ccccc1)CCN Amb27843446 [1,0,0,0,1,0|2,0,0]=4 1300 B12R1.32 NCCC(=O)Cc1ccccc1 Amb32954715 [1,0,0,0,1,0|1,0,1]=4 1301 B12R1.32 NCCC(=O)Nc1ccccc1 Amb1125528 [1,0,0,0,1,0|2,0,0]=4 1302 B12R1.32 NCCC(=O)Nc1ccccc1 Amb15740909 [1,0,0,0,1,0|2,0,0]=4 1303 B12R1.32 NCCC(=O)Oc1ccccc1 Amb17334633 [1,0,0,0,1,0|2,0,0]=4 1304 B12R1.32 NCC\C(Br)=C\c1ccccc1 Amb27770057 [1,0,0,0,1,0|2,0,0]=4 1305 B12R1.32 NCC\C(Cl)=C/c1ccccc1 Amb27881313 [1,0,0,0,1,0|2,0,0]=4 1306 B12R1.32 NCC\C(Cl)=C\c1ccccc1 Amb27843483 [1,0,0,0,1,0|2,0,0]=4 1307 B12R1.32 NCOC(=O)Nc1ccccc1 Amb27407731 [1,0,0,0,1,0|2,0,0]=4 1308 B12R1.32 O=C(CCBr)Nc1ccccc1 Amb16191990 [1,0,0,0,1,0|2,0,0]=4 1309 B12R1.32 O=C(CCCl)Nc1ccccc1 Amb6458951 [1,0,0,0,1,0|2,0,0]=4 1310 B12R1.32 O=C(CCCl)Oc1ccccc1 Amb16230794 [1,0,0,0,1,0|2,0,0]=4 1311 B12R1.32 O=C(CCO)Nc1ccccc1 Amb9421562 [1,0,0,0,1,0|2,0,0]=4 1312 B12R1.32 O=C(CCS)Nc1ccccc1 Amb17305724 [1,0,0,0,1,0|2,0,0]=4 1313 B12R1.32 O=C(Nc1ccccc1)OCCl Amb28436871 [1,0,0,0,1,0|2,0,0]=4 1314 B12R1.51 CCNC(=O)\C=C\c1cccs1 Amb17786755 [1,0,0,0,1,0|2,0,0]=4 1315 B12R1.51 CCOC(=O)\C=C\c1ccco1 Amb1033025 [1,0,0,0,1,0|1,0,0]=3 1316 B12R1.51 CCOC(=O)\C=C\c1cccs1 Amb21858181 [1,0,0,0,1,0|1,0,0]=3 1317 B12R1.51 CCOC(=O)\C=C\c1ccsc1 Amb33990712 [1,0,0,0,1,0|1,0,0]=3 1318 B12R1.51 CCOC(=O)\C=C\c1cncs1 Amb33469175 [1,0,0,0,1,0|2,0,0]=4 1319 B12R1.51 CCOC(=O)\C=C\c1cscn1 Amb30594535 [1,0,0,0,1,0|2,0,0]=4 1320 B12R1.51 CCOC(=O)\C=C\c1nccs1 Amb33469170 [1,0,0,0,1,0|2,0,0]=4 1321 B12R1.30 C=CCOC(=O)c1ccccc1 Amb4034453 [0,0,0,0,2,0|0,0,2]=4 1322 B12R1.30 CC#COC(=O)c1ccccc1 Amb27777575 [0,0,0,0,2,0|0,0,2]=4 1323 B12R1.30 CCCCC(=O)c1ccccc1 Amb4605998 [0,0,0,0,2,0|1,0,0]=3 1324 B12R1.30 CCCCC(=O)c1ccccn1 Amb6301472 [0,0,0,0,2,0|2,0,0]=4 1325 B12R1.30 CCCCC(=O)c1cccnc1 Amb10607964 [0,0,0,0,2,0|2,0,0]=4 1326 B12R1.30 CCCCC(=O)c1ccncc1 Amb10573758 [0,0,0,0,2,0|2,0,0]=4 1327 B12R1.30 CCCNC(=N)c1ccccc1 Amb23447119 [0,0,0,0,2,0|2,0,0]=4 1328 B12R1.30 CCCNC(=O)c1ccccn1 Amb8330947 [0,0,0,0,2,0|2,0,0]=4 1329 B12R1.30 CCCNC(=O)c1cccnc1 Amb3357738 [0,0,0,0,2,0|2,0,0]=4 1330 B12R1.30 CCCOC(=O)c1ccccc1 Amb6357116 [0,0,0,0,2,0|0,0,0]=2 1331 B12R1.30 CCCOC(=O)c1cccnc1 Amb1958081 [0,0,0,0,2,0|1,0,0]=3 1332 B12R1.30 CCCOC(=O)c1cnccn1 Amb18801005 [0,0,0,0,2,0|2,0,0]=4 1333 B12R1.30 CCC\C=C(\N)c1ccccc1 Amb27965051 [0,0,0,0,2,0|2,0,0]=4 1334 B12R1.30 CCC\N=C(/C)c1ccccc1 Amb17779516 [0,0,0,0,2,0|2,0,0]=4 1335 B12R1.30 CCOCC(=O)c1ccccc1 Amb9666077 [0,0,0,0,2,0|2,0,0]=4 1336 B12R1.30 CCONC(=O)c1ccccc1 Amb10572541 [0,0,0,0,2,0|2,0,0]=4 1337 B12R1.30 CCSCC(=O)c1ccccc1 Amb2778943 [0,0,0,0,2,0|2,0,0]=4 1338 B12R1.30 CNCCC(=O)c1ccccc1 Amb11032366 [0,0,0,0,2,0|2,0,0]=4 1339 B12R1.30 CNCCC(=O)c1ccccc1 Amb8390832 [0,0,0,0,2,0|2,0,0]=4 1340 B12R1.30 CNCNC(=O)c1ccccc1 Amb27402677 [0,0,0,0,2,0|2,0,0]=4 1341 B12R1.30 COCCC(=O)c1ccccc1 Amb33538573 [0,0,0,0,2,0|2,0,0]=4 1342 B12R1.30 CSCCC(=O)c1ccccc1 Amb32683163 [0,0,0,0,2,0|2,0,0]=4 1343 B12R1.30 CSCNC(=O)c1ccccc1 Amb28208358 [0,0,0,0,2,0|2,0,0]=4 1344 B12R1.30 N#CCOC(=O)c1ccccc1 Amb8384344 [0,0,0,0,2,0|1,0,1]=4 1345 B12R1.30 NCCCC(=O)c1ccccc1 Amb18623671 [0,0,0,0,2,0|2,0,0]=4 1346 B12R1.30 NCCNC(=O)c1ccccc1 Amb302802 [0,0,0,0,2,0|2,0,0]=4 1347 B12R1.30 NCCNC(=O)c1ccccc1 Amb6662646 [0,0,0,0,2,0|2,0,0]=4 1348 B12R1.30 NCCOC(=O)c1ccccc1 Amb10807731 [0,0,0,0,2,0|1,0,0]=3 1349 B12R1.30 NCCSC(=O)c1ccccc1 Amb3987898 [0,0,0,0,2,0|1,1,0]=4 1350 B12R1.30 O=C(CCCBr)c1ccccc1 Amb17247624 [0,0,0,0,2,0|2,0,0]=4 1351 B12R1.30 O=C(CCCCl)c1ccccc1 Amb1229841 [0,0,0,0,2,0|2,0,0]=4 1352 B12R1.30 O=C(CCCO)c1ccccc1 Amb17334609 [0,0,0,0,2,0|2,0,0]=4 1353 B12R1.30 O=C(NCCCl)c1ccccc1 Amb2414312 [0,0,0,0,2,0|2,0,0]=4 1354 B12R1.30 O=C(NCCI)c1ccccc1 Amb22753771 [0,0,0,0,2,0|2,0,0]=4 1355 B12R1.30 O=C(NCCO)c1ccccc1 Amb4318140 [0,0,0,0,2,0|2,0,0]=4 1356 B12R1.30 O=C(NCCS)c1ccccc1 Amb26616512 [0,0,0,0,2,0|2,0,0]=4 1357 B12R1.30 O=C(OCCCl)c1ccccc1 Amb385414 [0,0,0,0,2,0|1,0,0]=3 1358 B12R1.30 O=C(OCCO)c1ccccc1 Amb1110468 [0,0,0,0,2,0|1,0,0]=3 1359 B12R1.53 CCCOC(=O)Nc1ccsc1 Amb28366123 [0,0,0,0,2,0|2,0,0]=4 1360 B16R1.1465 CCCCC(=O)\C=C\NCc1ccccc1 Amb27205232 [0,0,0,0,0,2|1,0,0]=3 1361 B16R1.1465 CCCOC(=O)CCNCc1ccccc1 Amb28256606 [0,0,0,0,0,2|0,0,2]=4