0 B13R1.153 CC(CCCO)NCc1ccco1 Amb33363380 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.153 CCCOC(=O)NCc1ccco1 Amb3101959 [0,0,0,0,0,0|2,0,0]=2 2 B13R1.153 CCNCC(=O)NCc1cccs1 Amb399608 [0,0,0,0,0,0|2,1,0]=3 3 B13R1.153 CCNCC(=O)NCc1cccs1 Amb6891852 [0,0,0,0,0,0|2,1,0]=3 4 B13R1.153 CNCCC(=O)NCc1cccs1 Amb19067239 [0,0,0,0,0,0|2,1,0]=3 5 B13R1.153 N#CCCC(=O)NCc1ccco1 Amb17335216 [0,0,0,0,0,0|2,0,1]=3 6 B13R1.153 NCCCC(=O)NCc1ccco1 Amb5785142 [0,0,0,0,0,0|2,0,0]=2 7 B13R1.153 NCCNC(=O)NCc1ccco1 Amb17233984 [0,0,0,0,0,0|3,0,0]=3 8 B13R1.153 O=C(CCCCl)NCc1nccs1 Amb17326606 [0,0,0,0,0,0|3,1,0]=4 9 B13R1.153 [N-]=[N+]=NCC(=O)NCc1ccco1 Amb18178798 [0,0,0,0,0,0|4,0,0]=4 10 B12R1.37 CCCCCCCc1ccco1 Amb10070289 [1,0,0,0,0,0|1,0,1]=3 11 B12R1.37 CCCCCCCc1cccs1 Amb24089104 [1,0,0,0,0,0|1,1,1]=4 12 B12R1.37 CCCCCNCc1ccco1 Amb5261471 [1,0,0,0,0,0|1,0,1]=3 13 B12R1.37 CCCCCNCc1cccs1 Amb837717 [1,0,0,0,0,0|1,1,1]=4 14 B12R1.37 CCNCCNCc1ccco1 Amb18805892 [1,0,0,0,0,0|2,0,1]=4 15 B12R1.37 CCOCCNCc1ccco1 Amb9241000 [1,0,0,0,0,0|2,0,1]=4 16 B12R1.37 CNCCCNCc1ccco1 Amb5261477 [1,0,0,0,0,0|2,0,1]=4 17 B12R1.37 COCCCNCc1ccco1 Amb875961 [1,0,0,0,0,0|2,0,1]=4 18 B12R1.37 CSCCCNCc1ccco1 Amb6719039 [1,0,0,0,0,0|2,0,1]=4 19 B12R1.51 C#CCC(=O)NCc1ccco1 Amb35727900 [1,0,0,0,0,0|1,0,2]=4 20 B12R1.51 CCCC(C)NCc1ccco1 Amb6249358 [1,0,0,0,0,0|2,0,1]=4 21 B12R1.51 CCNC(=N)NCc1ccco1 Amb18798817 [1,0,0,0,0,0|3,0,0]=4 22 B12R1.51 CCNC(=S)NCc1ccco1 Amb617866 [1,0,0,0,0,0|2,1,0]=4 23 B12R1.51 CCOC(=O)C#Cc1ccco1 Amb27401496 [1,0,0,0,0,0|2,0,1]=4 24 B12R1.51 CCOC(=O)CCc1ccco1 Amb6357512 [1,0,0,0,0,0|2,0,0]=3 25 B12R1.51 CCOC(=O)\C=C\c1ccco1 Amb1033025 [1,0,0,0,0,0|2,0,1]=4 26 B12R1.51 CNCC(=O)NCc1ccco1 Amb13951291 [1,0,0,0,0,0|2,0,0]=3 27 B12R1.51 CNCC(=O)NCc1ccco1 Amb418935 [1,0,0,0,0,0|2,0,0]=3 28 B12R1.51 CNCC(=O)NCc1cccs1 Amb19373753 [1,0,0,0,0,0|2,1,0]=4 29 B12R1.51 CNCC(=O)NCc1cccs1 Amb8866638 [1,0,0,0,0,0|2,1,0]=4 30 B12R1.51 CONC(=O)NCc1ccco1 Amb28283432 [1,0,0,0,0,0|3,0,0]=4 31 B12R1.51 N#CCC(=O)CCc1ccco1 Amb7768255 [1,0,0,0,0,0|2,0,1]=4 32 B12R1.51 N#CCC(=O)NCc1ccco1 Amb6334825 [1,0,0,0,0,0|2,0,1]=4 33 B12R1.51 NCCC(=O)NCc1ccco1 Amb1127809 [1,0,0,0,0,0|2,0,0]=3 34 B12R1.51 NCCC(=O)NCc1cccs1 Amb5782701 [1,0,0,0,0,0|2,1,0]=4 35 B12R1.51 O=C(CCBr)NCc1ccco1 Amb17323760 [1,0,0,0,0,0|2,0,0]=3 36 B12R1.51 O=C(CCBr)NCc1cccs1 Amb17324547 [1,0,0,0,0,0|2,1,0]=4 37 B12R1.51 O=C(CCCl)NCc1ccco1 Amb1137792 [1,0,0,0,0,0|2,0,0]=3 38 B12R1.51 O=C(CCCl)NCc1cccs1 Amb6512904 [1,0,0,0,0,0|2,1,0]=4 39 B12R1.51 O=C(CCO)NCc1ccco1 Amb17334760 [1,0,0,0,0,0|2,0,0]=3 40 B14R1.86 O=C(CSCCO)NCc1ccco1 Amb6760953 [0,1,0,0,0,0|2,0,0]=3 41 B14R1.86 O=C(CSCCO)NCc1cccs1 Amb6760954 [0,1,0,0,0,0|2,1,0]=4 42 B14R1.137 CC(NC(=O)CCCCl)c1ccco1 Amb17325961 [0,1,0,0,0,0|2,0,0]=3 43 B14R1.137 COCCC(=O)CC(=O)c1ccco1 Amb8833013 [0,1,0,0,0,0|2,0,1]=4 44 B14R1.454 CN(Cc1cccs1)C(=O)CCCCl Amb17331505 [0,1,0,0,0,0|2,1,0]=4 45 B14R1.588 CC(C#N)CC(=O)NCc1ccco1 Amb17336429 [0,1,0,0,0,0|2,0,1]=4 46 B14R1.633 CC(CC#N)C(=O)NCc1ccco1 Amb17336428 [0,1,0,0,0,0|2,0,1]=4 47 B14R1.633 CCCC(N)C(=O)NCc1cccs1 Amb33532340 [0,1,0,0,0,0|1,1,0]=3 48 B14R1.633 CCOC(=O)C(=O)NCc1ccco1 Amb6886488 [0,1,0,0,0,0|2,0,1]=4 49 B14R1.3343 CCCCC(CC)NCc1ccco1 Amb33496388 [0,1,0,0,0,0|2,0,1]=4 50 B14R1.4526 NC(=O)CCC(=O)NCc1ccco1 Amb17143167 [0,1,0,0,0,0|2,0,1]=4 51 B14R1.4526 O=C(O)CCC(=O)NCc1ccco1 Amb6355806 [0,1,0,0,0,0|2,0,1]=4 52 B14R1.4531 CCCCS(=O)(=O)NCc1ccco1 Amb17895359 [0,1,0,0,0,0|2,0,0]=3 53 B14R2.50 CC1CCCCN1Cc2ccco2 Amb27661667 [0,0,0,1,0,0|2,0,1]=4 54 B14R2.50 N=C1CCCCN1Cc2ccco2 Amb18180804 [0,0,0,1,0,0|2,0,0]=3 55 B14R2.50 N=C1CCCCN1Cc2cccs2 Amb19052002 [0,0,0,1,0,0|2,1,0]=4 56 B14R2.50 NC1CCCCC1Cc2ccco2 Amb1107542 [0,0,0,1,0,0|2,0,1]=4 57 B14R2.50 O=C1CCCCC1Cc2ccns2 Amb35651552 [0,0,0,1,0,0|2,1,0]=4 58 B14R2.50 O=C1CCCCC1Cc2ccsc2 Amb18317878 [0,0,0,1,0,0|3,0,0]=4 59 B14R2.50 O=C1CCCCC1Cc2cncs2 Amb27761005 [0,0,0,1,0,0|2,1,0]=4 60 B14R2.50 O=C1CCCCC1Cc2cscn2 Amb27852570 [0,0,0,1,0,0|3,0,0]=4 61 B14R2.50 O=C1CCCCN1Cc2ccco2 Amb28242401 [0,0,0,1,0,0|1,0,0]=2 62 B14R2.50 O=C1CCCC\C1=C/c2ccco2 Amb5494134 [0,0,0,1,0,0|1,0,1]=3 63 B14R2.50 O=C1CCCC\C1=C/c2cccs2 Amb2371308 [0,0,0,1,0,0|1,1,1]=4 64 B14R2.50 O=C1CCCC\C1=C\c2ccco2 Amb1159142 [0,0,0,1,0,0|1,0,1]=3 65 B14R2.50 O=C1CCCC\C1=C\c2cccs2 Amb1155087 [0,0,0,1,0,0|1,1,1]=4 66 B14R2.50 O=C1CCNCC1Cc2ccco2 Amb27657503 [0,0,0,1,0,0|2,0,0]=3 67 B14R2.50 O=C1CNCCN1Cc2ccco2 Amb22009243 [0,0,0,1,0,0|2,0,0]=3 68 B14R2.50 O=C1CNCCN1Cc2cccs2 Amb18285124 [0,0,0,1,0,0|2,1,0]=4 69 B14R2.50 O=C1NCCCC1Cc2ccco2 Amb27810872 [0,0,0,1,0,0|2,0,0]=3 70 B14R2.50 O=C1NCCNC1Cc2ccco2 Amb27173298 [0,0,0,1,0,0|3,0,0]=4 71 B14R2.50 OC1CCCCC1Cc2ccco2 Amb18178849 [0,0,0,1,0,0|1,0,2]=4 72 B14R2.50 O[C@@H]1CCCC[C@H]1Cc2ccco2 Amb33213273 [0,0,0,1,0,0|1,0,2]=4 73 B14R2.50 O[C@H]1CCCC[C@@H]1Cc2ccco2 Amb27432268 [0,0,0,1,0,0|1,0,2]=4 74 B14R2.101 C1=C(CCc2ccco2)CCNC1 Amb25992841 [0,0,0,1,0,0|3,0,0]=4 75 B14R2.101 c1coc(CCC2CCCCN2)c1 Amb18065857 [0,0,0,1,0,0|2,0,1]=4 76 B14R2.101 c1coc(CNC2=NCCCN2)c1 Amb27841577 [0,0,0,1,0,0|3,0,0]=4 77 B14R2.101 c1coc(CNC2=NCCCS2)c1 Amb8471531 [0,0,0,1,0,0|2,1,0]=4 78 B14R2.101 c1coc(CNC2CCCCC2)c1 Amb6335656 [0,0,0,1,0,0|2,0,1]=4 79 B14R2.101 c1coc(COC2CCCCO2)c1 Amb25837489 [0,0,0,1,0,0|0,0,2]=3 80 B14R2.101 c1coc(C[NH2+]C2CCCCC2)c1 Amb33513151 [0,0,0,1,0,0|2,0,1]=4 81 B14R2.124 CCC1NC(=O)NC1c2cccs2 Amb28068740 [0,0,0,1,0,0|2,1,0]=4 82 B14R2.124 CC[C@H]1NC(=O)N[C@H]1c2ccco2 Amb27960875 [0,0,0,1,0,0|2,0,0]=3 83 B14R2.124 O=C1N[C@@H](CO)[C@H](c2cccs2)O1 Amb27423291 [0,0,0,1,0,0|2,1,0]=4 84 B14R2.124 O=CC1CC(=O)CC1c2ccco2 Amb27618131 [0,0,0,1,0,0|2,0,1]=4 85 B14R2.252 CC1CCC(NCc2ccco2)C1 Amb26376373 [0,0,0,1,0,0|2,0,1]=4 86 B14R2.252 CC1CCC(SCc2ccco2)C1 Amb27451853 [0,0,0,1,0,0|1,1,1]=4 87 B14R2.252 CC1CN=C(NCc2ccco2)S1 Amb9238032 [0,0,0,1,0,0|2,1,0]=4 88 B14R2.252 CC1CNC(SCc2ccco2)=N1 Amb27452552 [0,0,0,1,0,0|2,1,0]=4 89 B14R2.252 OC1CCC(OCc2ccco2)C1 Amb35695408 [0,0,0,1,0,0|2,0,1]=4 90 B14R2.306 CC1CCC(=O)CC1c2ccco2 Amb32865267 [0,0,0,1,0,0|1,0,0]=2 91 B14R2.306 CC1CCC(=O)CC1c2cccs2 Amb32865295 [0,0,0,1,0,0|1,1,0]=3 92 B14R2.306 CC1CCC(=O)CC1c2ccns2 Amb32865403 [0,0,0,1,0,0|2,1,0]=4 93 B14R2.306 CC1CCC(=O)CC1c2ccoc2 Amb32865306 [0,0,0,1,0,0|3,0,0]=4 94 B14R2.306 CC1CCC(=O)CC1c2ccsc2 Amb32865292 [0,0,0,1,0,0|3,0,0]=4 95 B14R2.306 CC1CCC(=O)CC1c2ccsn2 Amb32865310 [0,0,0,1,0,0|3,0,0]=4 96 B14R2.306 CC1CCC(=O)CC1c2cncs2 Amb32865418 [0,0,0,1,0,0|2,1,0]=4 97 B14R2.306 CC1CCC(=O)CC1c2cscn2 Amb32865372 [0,0,0,1,0,0|3,0,0]=4 98 B14R2.306 CC1CCC(=O)CC1c2nccs2 Amb32865448 [0,0,0,1,0,0|2,1,0]=4 99 B14R2.306 CC1CCC(=O)CC1n2cccn2 Amb32866893 [0,0,0,1,0,0|3,0,0]=4 100 B14R2.306 CC1CCC(Br)CC1c2ccco2 Amb32866042 [0,0,0,1,0,0|2,0,1]=4 101 B14R2.306 CC1CCC(Cl)CC1c2ccco2 Amb32865819 [0,0,0,1,0,0|2,0,1]=4 102 B14R2.306 CC1CCC(N)CC1c2ccco2 Amb32866267 [0,0,0,1,0,0|2,0,1]=4 103 B14R2.306 CN1CCC(=O)CC1c2ccco2 Amb25157270 [0,0,0,1,0,0|2,0,0]=3 104 B14R2.306 CN1CCC(=O)CC1c2cccs2 Amb25119927 [0,0,0,1,0,0|2,1,0]=4 105 B14R2.306 NC1CCC(=O)NC1c2ccco2 Amb17400756 [0,0,0,1,0,0|2,0,0]=3 106 B14R2.388 NC1CCCCC(c2ccco2)C1 Amb27667368 [0,0,0,1,0,0|2,0,1]=4 107 B14R2.388 O=C1CC(c2ccco2)NCCN1 Amb18065920 [0,0,0,1,0,0|3,0,0]=4 108 B14R2.388 O=C1CC(c2ccco2)SCCN1 Amb22642285 [0,0,0,1,0,0|3,0,0]=4 109 B14R2.388 O=C1CCCCC(c2cncs2)C1 Amb35640530 [0,0,0,1,0,0|2,1,0]=4 110 B14R2.388 O=C1CCCCC(n2cccn2)C1 Amb28144046 [0,0,0,1,0,0|3,0,0]=4 111 B14R2.674 CC1CC1C(=O)NCc2ccco2 Amb8335698 [0,0,0,1,0,0|1,0,0]=2 112 B14R2.674 CC1CC1C(=O)NCc2cccs2 Amb8342627 [0,0,0,1,0,0|1,1,0]=3 113 B14R2.674 CC1CC1C(=O)NCc2ccno2 Amb28184919 [0,0,0,1,0,0|2,0,0]=3 114 B14R2.674 CC1CC1C(=O)NCc2ccoc2 Amb28064694 [0,0,0,1,0,0|3,0,0]=4 115 B14R2.674 CC1CC1C(=O)NCc2ccsc2 Amb27665081 [0,0,0,1,0,0|3,0,0]=4 116 B14R2.674 C[C@@H]1C[C@H]1C(=O)NCc2ccco2 Amb27779725 [0,0,0,1,0,0|1,0,0]=2 117 B14R2.674 C[C@@H]1C[C@H]1C(=O)NCc2ccon2 Amb27625852 [0,0,0,1,0,0|3,0,0]=4 118 B14R2.674 C[C@@H]1C[C@H]1C(=O)NCc2cscn2 Amb28196980 [0,0,0,1,0,0|3,0,0]=4 119 B14R2.674 C[C@@H]1C[C@H]1C(=O)NCc2nccs2 Amb27473486 [0,0,0,1,0,0|2,1,0]=4 120 B14R2.674 C[C@H]1C[C@@H]1C(=O)NCc2cncs2 Amb27982741 [0,0,0,1,0,0|2,1,0]=4 121 B14R2.4572 CC1CCC(=O)\C1=C\c2ccco2 Amb27772758 [0,0,0,1,0,0|1,0,1]=3 122 B14R2.4572 CC1NCC(=O)N1Cc2ccco2 Amb26563264 [0,0,0,1,0,0|2,0,0]=3 123 B14R2.4572 CC1OCC(=O)C1Cc2ccco2 Amb35682824 [0,0,0,1,0,0|2,0,0]=3 124 B14R2.4572 CC1OCC(=O)C1Cc2cccs2 Amb35683058 [0,0,0,1,0,0|2,1,0]=4 125 B14R2.5478 CC1(NCc2ccco2)CCCC1 Amb18291922 [0,0,0,1,0,0|2,0,1]=4 126 B14R2.13184 O=C(NCc1ccco1)NC2CC2 Amb2132676 [0,0,0,1,0,0|2,0,0]=3 127 B14R2.13184 O=C(NCc1cccs1)NC2CC2 Amb24370594 [0,0,0,1,0,0|2,1,0]=4 128 B14R2.13184 O=C(\C=C\c1ccco1)NC2CC2 Amb3367237 [0,0,0,1,0,0|2,0,1]=4 129 B14R2.40225 O=C(NCc1ccco1)C2CCC2 Amb6536036 [0,0,0,1,0,0|1,0,0]=2 130 B14R2.40225 O=C(NCc1ccco1)C2CCO2 Amb27399339 [0,0,0,1,0,0|2,0,0]=3 131 B14R2.40225 O=C(NCc1ccco1)C2CNC2 Amb26853552 [0,0,0,1,0,0|2,0,0]=3 132 B14R2.40225 O=C(NCc1cccs1)C2CCC2 Amb6536089 [0,0,0,1,0,0|1,1,0]=3 133 B14R2.40225 O=C(NCc1cccs1)C2CCO2 Amb28182677 [0,0,0,1,0,0|2,1,0]=4 134 B14R2.40225 O=C(NCc1ccno1)C2CCO2 Amb28204711 [0,0,0,1,0,0|3,0,0]=4 135 B14R2.40225 O=C(NCc1ccno1)C2COC2 Amb28280668 [0,0,0,1,0,0|3,0,0]=4 136 B14R2.40225 O=C(NCc1ccsc1)C2CCC2 Amb10945329 [0,0,0,1,0,0|3,0,0]=4 137 B14R2.40225 O=C(NCc1cocn1)C2CCC2 Amb28189107 [0,0,0,1,0,0|3,0,0]=4 138 B14R2.40225 S=C(NCc1ccco1)N2CCC2 Amb27604095 [0,0,0,1,0,0|2,1,0]=4 139 B12R1.53 CCCCC(=O)Cc1ccco1 Amb533038 [0,0,0,0,1,0|0,0,0]=1 140 B12R1.53 CCCCC(=O)Nc1cccs1 Amb27816414 [0,0,0,0,1,0|1,1,0]=3 141 B12R1.53 CCCCC(=O)Nc1ccsc1 Amb28316876 [0,0,0,0,1,0|3,0,0]=4 142 B12R1.53 CCCCC(=O)Nc1cncs1 Amb4398896 [0,0,0,0,1,0|2,1,0]=4 143 B12R1.53 CCCCC(=O)Nc1nccs1 Amb1000672 [0,0,0,0,1,0|2,1,0]=4 144 B12R1.53 CCCNC(=O)Nc1cccs1 Amb27178847 [0,0,0,0,1,0|2,1,0]=4 145 B12R1.53 CN(CCCN)Cc1ccco1 Amb9388019 [0,0,0,0,1,0|3,0,0]=4 146 B12R1.53 CNCC\C(C)=C\c1ccco1 Amb33311947 [0,0,0,0,1,0|2,0,1]=4 147 B12R1.53 COCCC(N)Cc1ccco1 Amb32718689 [0,0,0,0,1,0|2,0,1]=4 148 B12R1.53 C\C(=C/c1ccco1)CCCBr Amb33333491 [0,0,0,0,1,0|2,0,1]=4 149 B12R1.53 C\C(=C/c1ccco1)CCCN Amb33311954 [0,0,0,0,1,0|2,0,1]=4 150 B12R1.53 C\C(=C/c1ccco1)CCCO Amb33311255 [0,0,0,0,1,0|2,0,1]=4 151 B12R1.53 C\C(=C/c1ccco1)CCCS Amb33197994 [0,0,0,0,1,0|2,0,1]=4 152 B12R1.53 N#CCNC(=O)Cc1ccco1 Amb27178709 [0,0,0,0,1,0|2,0,1]=4 153 B12R1.53 NCCNC(=O)Cc1cccs1 Amb1124387 [0,0,0,0,1,0|2,1,0]=4 154 B12R1.53 O=C(Cc1cccs1)NCCCl Amb17103220 [0,0,0,0,1,0|2,1,0]=4 155 B12R1.53 O=C(Cc1cccs1)NCCO Amb3571323 [0,0,0,0,1,0|2,1,0]=4 156 B12R1.53 O=C(NCCO)Nc1ccco1 Amb28189874 [0,0,0,0,1,0|3,0,0]=4 157 B14R1.156 C#CCCC(=O)OCc1ccccc1 Amb18118053 [0,0,0,0,0,1|1,0,2]=4 158 B14R1.156 C=CCCC(=O)OCc1ccccc1 Amb24644242 [0,0,0,0,0,1|1,0,2]=4 159 B14R1.156 CCCCC(=N)NCc1ccccc1 Amb27747036 [0,0,0,0,0,1|3,0,0]=4 160 B14R1.156 CCCCC(=O)NCc1ccccc1 Amb3363781 [0,0,0,0,0,1|2,0,0]=3 161 B14R1.156 CCCNC(=O)NCc1ccccc1 Amb2236970 [0,0,0,0,0,1|3,0,0]=4 162 B14R1.156 CCCOC(=O)NCc1ccccc1 Amb3101958 [0,0,0,0,0,1|3,0,0]=4 163 B14R1.156 CCCOC(=O)OCc1ccccc1 Amb27976572 [0,0,0,0,0,1|2,0,0]=3 164 B14R1.156 CCNCC(=O)OCc1ccccc1 Amb19079330 [0,0,0,0,0,1|2,0,0]=3 165 B14R1.156 CCOCC(=O)NCc1ccccn1 Amb2662090 [0,0,0,0,0,1|3,0,0]=4 166 B14R1.156 CCSCC(=O)NCc1ccccc1 Amb28076986 [0,0,0,0,0,1|3,0,0]=4 167 B14R1.156 CNCCC(=O)NCc1ccccc1 Amb19073978 [0,0,0,0,0,1|3,0,0]=4 168 B14R1.156 CNCCC(=O)OCc1ccccc1 Amb19061708 [0,0,0,0,0,1|2,0,0]=3 169 B14R1.156 CNCCC(=O)OCc1ccccc1 Amb33330108 [0,0,0,0,0,1|2,0,0]=3 170 B14R1.156 COCCC(=O)NCc1ccccc1 Amb28384929 [0,0,0,0,0,1|3,0,0]=4 171 B14R1.156 COCNC(=O)OCc1ccccc1 Amb26316850 [0,0,0,0,0,1|3,0,0]=4 172 B14R1.156 CSCCC(=O)NCc1ccccc1 Amb25311912 [0,0,0,0,0,1|3,0,0]=4 173 B14R1.156 NCCCC(=O)NCc1ccccc1 Amb5785143 [0,0,0,0,0,1|3,0,0]=4 174 B14R1.156 NCCCC(=O)OCc1ccccc1 Amb33038335 [0,0,0,0,0,1|2,0,0]=3 175 B14R1.156 NCCCC(=O)OCc1ccccc1 Amb4247412 [0,0,0,0,0,1|2,0,0]=3 176 B14R1.156 NCCCC(=O)OCc1ccccc1 Amb594688 [0,0,0,0,0,1|2,0,0]=3 177 B14R1.156 NCCNC(=O)OCc1ccccc1 Amb2720022 [0,0,0,0,0,1|3,0,0]=4 178 B14R1.156 NCCNC(=O)OCc1ccccc1 Amb3941558 [0,0,0,0,0,1|3,0,0]=4 179 B14R1.156 O=C(CCCBr)OCc1ccccc1 Amb2413170 [0,0,0,0,0,1|2,0,0]=3 180 B14R1.156 O=C(CCCO)OCc1ccccc1 Amb27877363 [0,0,0,0,0,1|2,0,0]=3 181 B14R1.156 O=C(CCCS)OCc1ccccc1 Amb27171726 [0,0,0,0,0,1|2,0,0]=3 182 B14R1.156 O=C(NCCBr)OCc1ccccc1 Amb10608828 [0,0,0,0,0,1|3,0,0]=4 183 B14R1.156 O=C(NCCCl)OCc1ccccc1 Amb27387761 [0,0,0,0,0,1|3,0,0]=4 184 B14R1.156 O=C(NCCF)OCc1ccccc1 Amb27591394 [0,0,0,0,0,1|3,0,0]=4 185 B14R1.156 O=C(NCCI)OCc1ccccc1 Amb21962791 [0,0,0,0,0,1|3,0,0]=4 186 B14R1.156 O=C(NCCO)OCc1ccccc1 Amb17719245 [0,0,0,0,0,1|3,0,0]=4 187 B14R1.177 O=C(CCCCl)NCCc1cccs1 Amb1131499 [0,0,0,0,0,1|2,1,0]=4 188 B11R1.4 BrCCC\C=C/c1ccco1 Amb27673526 [2,0,0,0,0,0|1,0,1]=4 189 B11R1.4 BrCCC\C=C\c1ccco1 Amb27672061 [2,0,0,0,0,0|1,0,1]=4 190 B11R1.4 CCCCCCc1cccs1 Amb6358035 [2,0,0,0,0,0|0,1,1]=4 191 B11R1.4 CCCCNCc1ccco1 Amb1140392 [2,0,0,0,0,0|1,0,0]=3 192 B11R1.4 CCCCNCc1ccco1 Amb6867989 [2,0,0,0,0,0|1,0,0]=3 193 B11R1.4 CCCCNCc1cccs1 Amb20673561 [2,0,0,0,0,0|1,1,0]=4 194 B11R1.4 CCCCNCc1cccs1 Amb534495 [2,0,0,0,0,0|1,1,0]=4 195 B11R1.4 CCCCOCc1ccco1 Amb24054478 [2,0,0,0,0,0|0,0,0]=2 196 B11R1.4 CCNC\C=C\c1ccco1 Amb27271367 [2,0,0,0,0,0|1,0,1]=4 197 B11R1.4 CCOCOCc1ccco1 Amb21856201 [2,0,0,0,0,0|1,0,0]=3 198 B11R1.4 CNCCNCc1ccco1 Amb18791584 [2,0,0,0,0,0|2,0,0]=4 199 B11R1.4 CNCCSCc1ccco1 Amb18807017 [2,0,0,0,0,0|1,1,0]=4 200 B11R1.4 CNCC\C=C\c1ccco1 Amb27987208 [2,0,0,0,0,0|1,0,1]=4 201 B11R1.4 COCCNCc1ccco1 Amb2592327 [2,0,0,0,0,0|2,0,0]=4 202 B11R1.4 ClCCCNCc1ccco1 Amb20573428 [2,0,0,0,0,0|2,0,0]=4 203 B11R1.4 N#CCCOCc1ccco1 Amb5494057 [2,0,0,0,0,0|1,0,1]=4 204 B11R1.4 NCCCNCc1ccco1 Amb17315268 [2,0,0,0,0,0|2,0,0]=4 205 B11R1.4 NCCCOCc1ccco1 Amb1154610 [2,0,0,0,0,0|1,0,0]=3 206 B11R1.4 NCCCSCc1ccco1 Amb21984189 [2,0,0,0,0,0|1,1,0]=4 207 B11R1.4 NCCCSCc1ccco1 Amb9203028 [2,0,0,0,0,0|1,1,0]=4 208 B11R1.4 OCCCNCc1ccco1 Amb2592329 [2,0,0,0,0,0|2,0,0]=4 209 B11R1.25 CCC(=O)CCc1ccco1 Amb18177203 [2,0,0,0,0,0|1,0,0]=3 210 B11R1.25 CCC(=O)NCc1ccco1 Amb3097296 [2,0,0,0,0,0|1,0,0]=3 211 B11R1.25 CCC(=O)NCc1cccs1 Amb8324161 [2,0,0,0,0,0|1,1,0]=4 212 B11R1.25 CCC(=O)OSc1cccs1 Amb27272272 [2,0,0,0,0,0|1,1,0]=4 213 B11R1.25 CCC(=O)SCc1ccco1 Amb9786684 [2,0,0,0,0,0|0,1,0]=3 214 B11R1.25 CCC(=O)\C=C\c1ccco1 Amb25233726 [2,0,0,0,0,0|1,0,1]=4 215 B11R1.25 CNC(=O)CCc1ccco1 Amb8328018 [2,0,0,0,0,0|2,0,0]=4 216 B11R1.25 COC(=O)NCc1ccco1 Amb3363702 [2,0,0,0,0,0|2,0,0]=4 217 B11R1.25 NCC(=O)NCc1ccco1 Amb10609039 [2,0,0,0,0,0|2,0,0]=4 218 B11R1.25 NCC(=O)NCc1ccco1 Amb444976 [2,0,0,0,0,0|2,0,0]=4 219 B11R1.25 O=C(CBr)NCc1ccco1 Amb2221075 [2,0,0,0,0,0|2,0,0]=4 220 B11R1.25 O=C(CCl)CCc1ccco1 Amb27672907 [2,0,0,0,0,0|2,0,0]=4 221 B11R1.25 O=C(CCl)NCc1ccco1 Amb6334831 [2,0,0,0,0,0|2,0,0]=4 222 B11R1.25 O=C(CI)NCc1ccco1 Amb26943751 [2,0,0,0,0,0|2,0,0]=4 223 B11R1.25 O=C(CO)CCc1ccco1 Amb18065408 [2,0,0,0,0,0|2,0,0]=4 224 B11R1.25 O=C(CO)NCc1ccco1 Amb5798115 [2,0,0,0,0,0|2,0,0]=4 225 B11R1.25 O=C(CO)OCc1ccco1 Amb27988703 [2,0,0,0,0,0|1,0,0]=3 226 B11R1.25 O=C(CO)OCc1cccs1 Amb27988704 [2,0,0,0,0,0|1,1,0]=4 227 B13R1.27 CCCCCNCc1ccc(C)o1 Amb6688089 [1,1,0,0,0,0|1,0,1]=4 228 B13R1.48 CCCCCNC(C)c1ccco1 Amb6688129 [1,1,0,0,0,0|1,0,1]=4 229 B13R1.119 CCCCCCNCc1ccco1 Amb5261472 [1,1,0,0,0,0|1,0,1]=4 230 B13R1.119 CCCNCCNCc1ccco1 Amb18327940 [1,1,0,0,0,0|1,0,1]=4 231 B13R1.119 CCNCCCNCc1ccco1 Amb880553 [1,1,0,0,0,0|1,0,1]=4 232 B13R1.119 CCOCCCNCc1ccco1 Amb2592330 [1,1,0,0,0,0|1,0,1]=4 233 B13R1.119 COCCCCNCc1ccco1 Amb18322554 [1,1,0,0,0,0|1,0,1]=4 234 B13R1.119 OCCCCCNCc1ccco1 Amb875965 [1,1,0,0,0,0|1,0,1]=4 235 B13R1.404 CCCC(C)CNCc1ccco1 Amb6719044 [1,1,0,0,0,0|1,0,1]=4 236 B13R1.404 CNCC(O)COCc1ccco1 Amb9741135 [1,1,0,0,0,0|1,0,1]=4 237 B13R1.33 CC(NC(=O)CCCl)c1ccco1 Amb9397445 [1,1,0,0,0,0|2,0,0]=4 238 B13R1.33 CCCC(=O)CC(=O)c1ccco1 Amb18791102 [1,1,0,0,0,0|1,0,1]=4 239 B13R1.33 CCNC(=O)CC(N)c1ccco1 Amb17233902 [1,1,0,0,0,0|2,0,0]=4 240 B13R1.33 CCOC(=O)CC(N)c1ccco1 Amb2697506 [1,1,0,0,0,0|2,0,0]=4 241 B13R1.33 CCOC(=O)C[C@@H](N)c1ccco1 Amb19057066 [1,1,0,0,0,0|2,0,0]=4 242 B13R1.33 CCOC(=O)C[C@H](N)c1ccco1 Amb33254115 [1,1,0,0,0,0|2,0,0]=4 243 B13R1.41 CCNC(=O)NCc1ccc(Cl)o1 Amb27804673 [1,1,0,0,0,0|2,0,0]=4 244 B13R1.66 CCOC(=O)C(N)Cc1ccco1 Amb19045175 [1,1,0,0,0,0|2,0,0]=4 245 B13R1.66 CN(Cc1ccco1)C(=O)CCN Amb9388250 [1,1,0,0,0,0|2,0,0]=4 246 B13R1.444 CCNC(=O)NCc1occc1C Amb27950243 [1,1,0,0,0,0|2,0,0]=4 247 B13R1.554 CCC(Br)C(=O)NCc1ccco1 Amb9173997 [1,1,0,0,0,0|1,0,0]=3 248 B13R1.554 CCC(Br)C(=O)NCc1cccs1 Amb9174109 [1,1,0,0,0,0|1,1,0]=4 249 B13R1.554 CCC(N)C(=O)NCc1cccs1 Amb32663889 [1,1,0,0,0,0|1,1,0]=4 250 B13R1.554 CCC(N)C(=O)NCc1cccs1 Amb9514364 [1,1,0,0,0,0|1,1,0]=4 251 B13R1.593 CC(=O)CC(=O)NCc1ccco1 Amb3685915 [1,1,0,0,0,0|1,0,1]=4 252 B13R1.593 CC(C)CC(=O)\C=C\c1ccco1 Amb17594541 [1,1,0,0,0,0|1,0,1]=4 253 B13R1.593 CC(C)NC(=O)NCc1ccco1 Amb2611867 [1,1,0,0,0,0|2,0,0]=4 254 B13R1.1330 CCCS(=O)(=O)NCc1ccco1 Amb29233 [1,1,0,0,0,0|2,0,0]=4 255 B13R1.43 CCCCC(=O)Nc1cc(C)no1 Amb28349868 [0,1,0,0,1,0|2,0,0]=4 256 B13R1.43 CCCCC(=O)Nc1nc(C)co1 Amb27797235 [0,1,0,0,1,0|2,0,0]=4 257 B13R1.43 CCCCC(=O)Nc1ncc(C)o1 Amb27598290 [0,1,0,0,1,0|2,0,0]=4 258 B13R1.344 CC(O)CNC(=O)Cc1cccs1 Amb9275480 [0,1,0,0,1,0|1,1,0]=4 259 B13R1.344 C[C@H](O)CNC(=O)Nc1ccco1 Amb27771593 [0,1,0,0,1,0|2,0,0]=4 260 B13R1.344 C\C(=C/c1ccco1)CCC(C)N Amb33311328 [0,1,0,0,1,0|1,0,1]=4 261 B13R1.344 C\C(=C/c1ccco1)CCC(C)O Amb33311326 [0,1,0,0,1,0|1,0,1]=4 262 B13R1.344 C\C(=C/c1ccco1)CC[C@@H](C)N Amb33311321 [0,1,0,0,1,0|1,0,1]=4 263 B13R1.344 C\C(=C/c1ccco1)CC[C@@H](C)O Amb33311324 [0,1,0,0,1,0|1,0,1]=4 264 B13R1.344 C\C(=C/c1ccco1)CC[C@H](C)N Amb33225732 [0,1,0,0,1,0|1,0,1]=4 265 B13R1.344 C\C(=C/c1ccco1)CC[C@H](C)O Amb33311325 [0,1,0,0,1,0|1,0,1]=4 266 B15R1.78 CCCCCC(=O)NCc1ccccc1 Amb3360906 [0,1,0,0,0,1|2,0,0]=4 267 B15R1.78 CCCCCC(=O)OCc1ccccc1 Amb22734264 [0,1,0,0,0,1|1,0,0]=3 268 B15R1.78 CCCCNC(=O)OCc1ccccc1 Amb3988246 [0,1,0,0,0,1|1,0,0]=3 269 B15R1.78 CCCCOC(=O)NCc1ccccc1 Amb3106123 [0,1,0,0,0,1|2,0,0]=4 270 B15R1.78 CNCCCC(=O)OCc1ccccc1 Amb27610831 [0,1,0,0,0,1|1,0,0]=3 271 B15R1.78 CNCCNC(=O)OCc1ccccc1 Amb10604122 [0,1,0,0,0,1|2,0,0]=4 272 B15R1.78 CNCCNC(=O)OCc1ccccc1 Amb19889524 [0,1,0,0,0,1|2,0,0]=4 273 B15R1.78 COCCCC(=O)OCc1ccccc1 Amb29838335 [0,1,0,0,0,1|1,0,0]=3 274 B15R1.78 COCCNC(=O)OCc1ccccc1 Amb25866758 [0,1,0,0,0,1|2,0,0]=4 275 B15R1.78 CSCCNC(=O)OCc1ccccc1 Amb27601087 [0,1,0,0,0,1|2,0,0]=4 276 B15R1.78 NCCCCC(=O)OCc1ccccc1 Amb17608237 [0,1,0,0,0,1|1,0,0]=3 277 B15R1.78 NCCCCC(=O)OCc1ccccc1 Amb24271768 [0,1,0,0,0,1|1,0,0]=3 278 B15R1.78 NCCCCC(=O)OCc1ccccc1 Amb26477625 [0,1,0,0,0,1|1,0,0]=3 279 B15R1.78 NCCCNC(=O)OCc1ccccc1 Amb10844746 [0,1,0,0,0,1|2,0,0]=4 280 B15R1.78 NCCCNC(=O)OCc1ccccc1 Amb2719986 [0,1,0,0,0,1|2,0,0]=4 281 B15R1.78 NCCOCC(=O)OCc1ccccc1 Amb27412669 [0,1,0,0,0,1|2,0,0]=4 282 B15R1.78 O=C(CCCCBr)NCc1ccccc1 Amb17274561 [0,1,0,0,0,1|2,0,0]=4 283 B15R1.78 O=C(CCCCO)NCc1ccccc1 Amb8593338 [0,1,0,0,0,1|2,0,0]=4 284 B15R1.78 O=C(CCCCO)OCc1ccccc1 Amb25832761 [0,1,0,0,0,1|1,0,0]=3 285 B15R1.78 O=C(NCCCBr)OCc1ccccc1 Amb10608829 [0,1,0,0,0,1|2,0,0]=4 286 B15R1.78 O=C(NCCCCl)OCc1ccccc1 Amb28343008 [0,1,0,0,0,1|2,0,0]=4 287 B15R1.78 O=C(NCCCF)OCc1ccccc1 Amb28197434 [0,1,0,0,0,1|2,0,0]=4 288 B15R1.78 O=C(NCCCI)OCc1ccccc1 Amb26471798 [0,1,0,0,0,1|2,0,0]=4 289 B15R1.78 O=C(NCCCO)OCc1ccccc1 Amb9273969 [0,1,0,0,0,1|2,0,0]=4 290 B15R1.78 O=CCCCC(=O)OCc1ccccc1 Amb25315072 [0,1,0,0,0,1|1,0,1]=4 291 B15R1.78 [NH3+]CCCNC(=O)OCc1ccccc1 Amb22452694 [0,1,0,0,0,1|2,0,0]=4 292 B15R1.741 CCC(=O)CC(=O)OCc1ccccc1 Amb28255666 [0,1,0,0,0,1|1,0,1]=4 293 B15R1.741 CCC(N)CC(=O)OCc1ccccc1 Amb27666847 [0,1,0,0,0,1|1,0,0]=3 294 B15R1.741 CCC(O)CC(=O)NCc1ccccc1 Amb27464441 [0,1,0,0,0,1|2,0,0]=4 295 B15R1.741 CCC(O)CC(=O)OCc1ccccc1 Amb32992107 [0,1,0,0,0,1|1,0,0]=3 296 B15R1.741 CC[C@@H](O)CC(=O)OCc1ccccc1 Amb32796104 [0,1,0,0,0,1|1,0,0]=3 297 B15R1.741 NC(CO)CC(=O)OCc1ccccc1 Amb27774316 [0,1,0,0,0,1|2,0,0]=4 298 B15R1.741 NCC(N)CC(=O)OCc1ccccc1 Amb27864434 [0,1,0,0,0,1|2,0,0]=4 299 B15R1.826 CCCC(N)C(=O)NCc1ccccc1 Amb9514830 [0,1,0,0,0,1|2,0,0]=4 300 B15R1.826 CCCC(N)C(=O)OCc1ccccc1 Amb23511177 [0,1,0,0,0,1|1,0,0]=3 301 B15R1.826 CCCC(O)C(=O)OCc1ccccc1 Amb27653326 [0,1,0,0,0,1|1,0,0]=3 302 B15R1.826 CCC[C@H](N)C(=O)OCc1ccccc1 Amb27751337 [0,1,0,0,0,1|1,0,0]=3 303 B15R1.826 CNC[C@@H](C)C(=O)OCc1ccccc1 Amb28255779 [0,1,0,0,0,1|2,0,0]=4 304 B15R1.826 COCC(N)C(=O)OCc1ccccc1 Amb26841519 [0,1,0,0,0,1|2,0,0]=4 305 B15R1.826 COC[C@@H](N)C(=O)OCc1ccccc1 Amb22899198 [0,1,0,0,0,1|2,0,0]=4 306 B15R1.826 COC[C@H](N)C(=O)OCc1ccccc1 Amb27628382 [0,1,0,0,0,1|2,0,0]=4 307 B15R1.826 NC(CCO)C(=O)OCc1ccccc1 Amb27610818 [0,1,0,0,0,1|2,0,0]=4 308 B15R1.826 NC(CCS)C(=O)OCc1ccccc1 Amb27773170 [0,1,0,0,0,1|2,0,0]=4 309 B15R1.826 NCCC(O)C(=O)OCc1ccccc1 Amb27408944 [0,1,0,0,0,1|2,0,0]=4 310 B15R1.826 N[C@@H](CCO)C(=O)OCc1ccccc1 Amb22756996 [0,1,0,0,0,1|2,0,0]=4 311 B15R1.826 N[C@H](CCO)C(=O)OCc1ccccc1 Amb27219499 [0,1,0,0,0,1|2,0,0]=4 312 B15R1.826 O=C(OCc1ccccc1)C(Br)CCBr Amb22265938 [0,1,0,0,0,1|2,0,0]=4 313 B15R1.5919 CC(=O)CCC(=O)OCc1ccccc1 Amb6357593 [0,1,0,0,0,1|1,0,1]=4 314 B15R1.5919 CC(C)NCC(=O)OCc1ccccc1 Amb27208862 [0,1,0,0,0,1|2,0,0]=4 315 B15R1.5919 CC(N)CNC(=O)OCc1ccccc1 Amb25678582 [0,1,0,0,0,1|2,0,0]=4 316 B15R1.5919 CC(S)CCC(=O)OCc1ccccc1 Amb27974968 [0,1,0,0,0,1|1,0,0]=3 317 B15R1.5919 C[C@@H](N)CNC(=O)OCc1ccccc1 Amb26469780 [0,1,0,0,0,1|2,0,0]=4 318 B15R1.5919 C[C@@H](N)CNC(=O)OCc1ccccc1 Amb33328777 [0,1,0,0,0,1|2,0,0]=4 319 B15R1.5919 C[C@H](N)CNC(=O)OCc1ccccc1 Amb28123101 [0,1,0,0,0,1|2,0,0]=4 320 B15R1.5919 C[C@H](O)CNC(=O)OCc1ccccc1 Amb27949661 [0,1,0,0,0,1|2,0,0]=4 321 B15R1.1237 CC(Cc1ccco1)NC(=O)CCCCl Amb13837838 [0,1,0,0,0,1|2,0,0]=4 322 B15R1.1237 CCOCC(=O)NC(C)Cc1ccco1 Amb13799269 [0,1,0,0,0,1|2,0,0]=4 323 B15R1.51 CCCCCC(=O)CC(=O)c1ccco1 Amb8832794 [0,2,0,0,0,0|1,0,1]=4 324 B15R1.51 CCOCCC(=O)CC(=O)c1ccco1 Amb8833014 [0,2,0,0,0,0|1,0,1]=4 325 B15R1.503 O=C(O)CCCC(=O)NCc1ccco1 Amb1811880 [0,2,0,0,0,0|1,0,1]=4 326 B15R1.579 NCCCCCC(=O)NCc1ccco1 Amb6270030 [0,2,0,0,0,0|1,0,0]=3 327 B15R1.579 NCCCCNC(=O)\C=C\c1ccco1 Amb18102558 [0,2,0,0,0,0|1,0,1]=4 328 B15R1.782 CCCC(N)C(=O)NC(C)c1cccs1 Amb33550337 [0,2,0,0,0,0|1,1,0]=4 329 B15R1.782 CCCC(N)C(=O)NC(C)c1cccs1 Amb9515133 [0,2,0,0,0,0|1,1,0]=4 330 B15R1.802 CCCC(N)C(=O)N(C)Cc1ccco1 Amb33550320 [0,2,0,0,0,0|1,0,0]=3 331 B15R1.802 CCCC(N)C(=O)N(C)Cc1ccco1 Amb9515127 [0,2,0,0,0,0|1,0,0]=3 332 B15R1.5726 CCN(CC)CC(=O)NCc1ccco1 Amb20140853 [0,2,0,0,0,0|2,0,0]=4 333 B13R1.44 CCCCC(=O)Oc1ccccc1 Amb3123544 [0,0,1,1,0,0|1,0,1]=4 334 B13R1.279 O=C1CCC=CC=CCCCCC1 Amb27212505 [0,0,1,1,0,0|2,0,0]=4 335 B13R1.674 CCCCC(=O)c1ccccc1O Amb17621754 [0,0,1,1,0,0|1,0,1]=4 336 B13R2.183 c1coc(CNC2CCCC2)c1 Amb6335657 [1,0,0,1,0,0|1,0,1]=4 337 B13R2.183 c1coc(CSC2CCCC2)c1 Amb28193657 [1,0,0,1,0,0|0,1,1]=4 338 B13R2.292 CCCC1NCCc2occc21 Amb27239837 [1,0,0,1,0,0|2,0,0]=4 339 B13R2.677 c1coc(C2CCCCCN2)c1 Amb17622151 [1,0,0,1,0,0|1,0,1]=4 340 B13R2.677 c1coc(C2CCCCCN2)c1 Amb2234791 [1,0,0,1,0,0|1,0,1]=4 341 B13R2.677 c1coc(C2CNCCCO2)c1 Amb9358527 [1,0,0,1,0,0|1,0,1]=4 342 B13R2.13 O=C1CCCC(c2cccs2)C1 Amb18564148 [1,0,0,1,0,0|1,1,0]=4 343 B13R2.13 O=C1CCNC(c2ccco2)C1 Amb17232522 [1,0,0,1,0,0|2,0,0]=4 344 B13R2.13 O=C1CCOC(c2ccco2)C1 Amb27860978 [1,0,0,1,0,0|2,0,0]=4 345 B13R2.13 O=C1NCCC(c2ccco2)N1 Amb25279940 [1,0,0,1,0,0|2,0,0]=4 346 B13R2.13 O=C1NCC[C@@H](c2cccs2)O1 Amb28123090 [1,0,0,1,0,0|1,1,0]=4 347 B13R2.13 O=C1N[C@@H](c2ccco2)CCO1 Amb27600854 [1,0,0,1,0,0|2,0,0]=4 348 B13R2.122 CCC1C(=O)NC1c2ccco2 Amb27882891 [1,0,0,1,0,0|1,0,0]=3 349 B13R2.122 CC[C@@H]1C(=O)N[C@@H]1c2ccco2 Amb27966654 [1,0,0,1,0,0|1,0,0]=3 350 B13R2.122 CC[C@H]1C(=O)N[C@@H]1c2cccs2 Amb28079195 [1,0,0,1,0,0|1,1,0]=4 351 B13R2.4666 CC1NC(=O)CC1c2ccco2 Amb28461643 [1,0,0,1,0,0|2,0,0]=4 352 B13R2.4666 CC1NC(=O)OC1c2cccs2 Amb28040911 [1,0,0,1,0,0|1,1,0]=4 353 B13R2.4666 C[C@H]1OC(=O)N[C@@H]1c2ccco2 Amb27194387 [1,0,0,1,0,0|2,0,0]=4 354 B13R2.4666 C[C@H]1OC(=O)N[C@H]1c2ccco2 Amb28350191 [1,0,0,1,0,0|2,0,0]=4 355 B13R2.6970 N=C(NCc1ccco1)C2CC2 Amb27426905 [1,0,0,1,0,0|2,0,0]=4 356 B13R2.6970 O=C(NCc1ccco1)C2CC2 Amb3145117 [1,0,0,1,0,0|1,0,0]=3 357 B13R2.6970 O=C(NCc1cccs1)C2CC2 Amb1152363 [1,0,0,1,0,0|1,1,0]=4 358 B13R2.6970 O=C(\C=C\c1ccco1)C2CC2 Amb1033027 [1,0,0,1,0,0|1,0,1]=4 359 B13R2.142 CC1CCN(Cc2ccco2)C1 Amb27414349 [0,0,0,1,1,0|2,0,0]=4 360 B13R2.164 NCCCc1nc2ccoc2o1 Amb18827866 [0,0,0,1,1,0|2,0,0]=4 361 B13R2.166 NC1CCC(=O)Nc2occc21 Amb18827910 [0,0,0,1,1,0|2,0,0]=4 362 B13R2.201 CC1CC1C(=O)Cc2ccns2 Amb35673921 [0,0,0,1,1,0|1,1,0]=4 363 B13R2.201 CC1CC1C(=O)Cc2cncs2 Amb27881139 [0,0,0,1,1,0|1,1,0]=4 364 B13R2.201 CC1CC1C(O)Cc2ccco2 Amb27979894 [0,0,0,1,1,0|0,0,2]=4 365 B13R2.696 O=C(Cc1ccco1)NC2CC2 Amb27178708 [0,0,0,1,1,0|1,0,0]=3 366 B13R2.696 O=C(Cc1cccs1)NC2CC2 Amb3571667 [0,0,0,1,1,0|1,1,0]=4 367 B13R2.3594 NC1(Cc2ccco2)CCCC1 Amb5737620 [0,0,0,1,1,0|1,0,1]=4 368 B13R2.14233 O=C(Cc1ccco1)C2CSC2 Amb35715974 [0,0,0,1,1,0|1,0,0]=3 369 B13R2.14233 O=C(Cc1ccco1)N2CCC2 Amb27756083 [0,0,0,1,1,0|1,0,0]=3 370 B13R2.14233 O=C(Cc1cccs1)C2CSC2 Amb29868021 [0,0,0,1,1,0|1,1,0]=4 371 B13R2.14233 O=C(Cc1cccs1)N2CCC2 Amb27751514 [0,0,0,1,1,0|1,1,0]=4 372 B13R2.14233 O=C(Cc1ccns1)C2CCC2 Amb35673923 [0,0,0,1,1,0|1,1,0]=4 373 B13R2.14233 O=C(Cc1cncs1)C2CCC2 Amb27390951 [0,0,0,1,1,0|1,1,0]=4 374 B13R2.14233 O=C(Nc1ccco1)N2CCC2 Amb28140451 [0,0,0,1,1,0|2,0,0]=4 375 B13R2.14233 OC(Cc1ccco1)C2CCC2 Amb28140346 [0,0,0,1,1,0|0,0,2]=4 376 B15R2.33 CC1CCC(=O)CC1c2ccccc2 Amb32865311 [0,0,0,1,0,1|2,0,0]=4 377 B15R2.33 CC1CCC(=O)CC1c2cccnc2 Amb32865325 [0,0,0,1,0,1|2,0,0]=4 378 B15R2.33 CC1CCC(=O)CC1c2ccncc2 Amb32865383 [0,0,0,1,0,1|2,0,0]=4 379 B15R2.33 CC1CCC(=O)CC1c2cnccn2 Amb32865329 [0,0,0,1,0,1|2,0,0]=4 380 B15R2.38 O=C1CCCCC1Cc2ccccc2 Amb3941676 [0,0,0,1,0,1|2,0,0]=4 381 B15R2.38 O=C1CCCCC1Cc2cnccn2 Amb35723164 [0,0,0,1,0,1|2,0,0]=4 382 B15R2.38 O=C1CCCCN1Cc2ccccc2 Amb9826065 [0,0,0,1,0,1|2,0,0]=4 383 B15R2.355 CC1CCC(=O)N1Cc2ccccc2 Amb20667833 [0,0,0,1,0,1|2,0,0]=4 384 B15R2.505 CC1CC1C(=O)NCc2ccccc2 Amb8338086 [0,0,0,1,0,1|2,0,0]=4 385 B15R2.505 CC1OC1C(=O)OCc2ccccc2 Amb25801937 [0,0,0,1,0,1|2,0,0]=4 386 B15R2.505 C[C@@H]1C[C@H]1C(=O)NCc2ccccc2 Amb27767896 [0,0,0,1,0,1|2,0,0]=4 387 B15R2.505 C[C@H]1CN1C(=O)OCc2ccccc2 Amb33871578 [0,0,0,1,0,1|2,0,0]=4 388 B15R2.543 O=C1CCCCC(c2ccccc2)C1 Amb22059558 [0,0,0,1,0,1|2,0,0]=4 389 B15R2.543 O=C1CCCCC(c2ccccc2)N1 Amb25050480 [0,0,0,1,0,1|2,0,0]=4 390 B15R2.543 O=C1CCCCC(c2ccccn2)N1 Amb23569073 [0,0,0,1,0,1|2,0,0]=4 391 B15R2.543 O=C1CCCCC(c2cccnc2)C1 Amb28430436 [0,0,0,1,0,1|2,0,0]=4 392 B15R2.24490 O=C(NCc1ccccn1)C2CCC2 Amb2661302 [0,0,0,1,0,1|2,0,0]=4 393 B15R2.24490 O=C(OCc1ccccc1)C2CCN2 Amb25765750 [0,0,0,1,0,1|2,0,0]=4 394 B15R2.24490 O=C(OCc1ccccc1)C2CNC2 Amb22642168 [0,0,0,1,0,1|2,0,0]=4 395 B15R2.24490 O=C(OCc1ccccc1)C2CNC2 Amb30628600 [0,0,0,1,0,1|2,0,0]=4 396 B15R2.24490 O=C(OCc1ccccc1)C2CNC2 Amb32941930 [0,0,0,1,0,1|2,0,0]=4 397 B15R2.24490 O=C(OCc1ccccc1)[C@@H]2CCN2 Amb28123561 [0,0,0,1,0,1|2,0,0]=4 398 B15R2.562 N=C1CCCCN1CCc2ccco2 Amb19050664 [0,0,0,1,0,1|2,0,0]=4 399 B15R2.562 O=C1CCCCC1SCc2ccco2 Amb9269501 [0,0,0,1,0,1|0,1,0]=3 400 B15R2.562 OC1CCCCC1OCc2ccco2 Amb35695409 [0,0,0,1,0,1|0,0,2]=4 401 B15R2.7273 O=C1C=C(Cc2cccs2)CCCC1 Amb27859981 [0,0,0,1,0,1|1,1,0]=4 402 B15R2.7567 CC1CCC(=O)CC1Cc2cccs2 Amb32865274 [0,0,0,1,0,1|1,1,0]=4 403 B15R2.7567 CC1CCC(=O)CC1Sc2cccs2 Amb32867533 [0,0,0,1,0,1|1,1,0]=4 404 B15R2.7567 CC1CCC(=O)CC1Sc2ncco2 Amb32867526 [0,0,0,1,0,1|2,0,0]=4 405 B15R2.69949 O=C(CNCc1ccco1)NC2CC2 Amb6477744 [0,0,0,1,0,1|2,0,0]=4 406 B15R2.343 O=C1CCCCCC1Cc2ccco2 Amb19041638 [0,1,0,1,0,0|1,0,0]=3 407 B15R2.343 O=C1CCNCCN1Cc2ccco2 Amb27953079 [0,1,0,1,0,0|1,0,0]=3 408 B15R2.343 O=C1CCNCCN1Cc2cccs2 Amb31128812 [0,1,0,1,0,0|1,1,0]=4 409 B15R2.343 O=C1CNCCCN1Cc2ccco2 Amb25697582 [0,1,0,1,0,0|1,0,0]=3 410 B15R2.343 O=C1NCCCCC1Cc2cccs2 Amb27953521 [0,1,0,1,0,0|1,1,0]=4 411 B15R2.1117 NC1CCCC(OCc2ccco2)C1 Amb27826841 [0,1,0,1,0,0|1,0,1]=4 412 B15R2.1117 OC1CCCC(OCc2ccco2)C1 Amb35695410 [0,1,0,1,0,0|1,0,1]=4 413 B15R2.3805 c1coc(CNC2=NCCCCN2)c1 Amb30036060 [0,1,0,1,0,0|2,0,0]=4 414 B15R2.3805 c1coc(COC2CCCNCC2)c1 Amb27863060 [0,1,0,1,0,0|1,0,1]=4 415 B15R2.3805 c1coc(CSC2=NCCCCN2)c1 Amb35635190 [0,1,0,1,0,0|1,1,0]=4 416 B15R2.3989 N=C(NCc1ccco1)C2CCCC2 Amb26052592 [0,1,0,1,0,0|2,0,0]=4 417 B15R2.3989 N\C(=N/Cc1ccco1)C2CCCC2 Amb33552385 [0,1,0,1,0,0|2,0,0]=4 418 B15R2.3989 N\C(=N\Cc1ccco1)C2CCCC2 Amb28653174 [0,1,0,1,0,0|2,0,0]=4 419 B15R2.3989 O=C(CCc1cccs1)C2CCCN2 Amb18568950 [0,1,0,1,0,0|1,1,0]=4 420 B15R2.3989 O=C(NCc1ccco1)C2CCCN2 Amb6662616 [0,1,0,1,0,0|1,0,0]=3 421 B15R2.3989 O=C(NCc1ccco1)C2CCCN2 Amb6892505 [0,1,0,1,0,0|1,0,0]=3 422 B15R2.3989 O=C(NCc1ccco1)C2CCNC2 Amb18302725 [0,1,0,1,0,0|1,0,0]=3 423 B15R2.3989 O=C(NCc1ccco1)C2CCOC2 Amb28477939 [0,1,0,1,0,0|1,0,0]=3 424 B15R2.3989 O=C(NCc1ccco1)[C@@H]2CCCN2 Amb5784235 [0,1,0,1,0,0|1,0,0]=3 425 B15R2.3989 O=C(NCc1ccco1)[C@@H]2CCNC2 Amb35696267 [0,1,0,1,0,0|1,0,0]=3 426 B15R2.3989 O=C(NCc1ccco1)[C@H]2CCNC2 Amb35696268 [0,1,0,1,0,0|1,0,0]=3 427 B15R2.3989 O=C(NCc1cccs1)C2CCCN2 Amb8866659 [0,1,0,1,0,0|1,1,0]=4 428 B15R2.3989 O=C(NCc1cccs1)N2CCCC2 Amb11256198 [0,1,0,1,0,0|1,1,0]=4 429 B15R2.3989 O=C(NCc1cccs1)[C@@H]2CCCN2 Amb5782608 [0,1,0,1,0,0|1,1,0]=4 430 B15R2.3989 O=C(NCc1cccs1)[C@@H]2CCNC2 Amb35702294 [0,1,0,1,0,0|1,1,0]=4 431 B15R2.3989 O=C(NCc1cccs1)[C@H]2CCCN2 Amb28124336 [0,1,0,1,0,0|1,1,0]=4 432 B15R2.3989 O=C(NCc1cccs1)[C@H]2CCNC2 Amb35702295 [0,1,0,1,0,0|1,1,0]=4 433 B15R2.3989 O=C(NCc1ccno1)C2CCCN2 Amb27772942 [0,1,0,1,0,0|2,0,0]=4 434 B15R2.3989 O=C(NCc1ccno1)[C@@H]2CCNC2 Amb35675081 [0,1,0,1,0,0|2,0,0]=4 435 B15R2.3989 O=C(NCc1ccno1)[C@H]2CCNC2 Amb35675082 [0,1,0,1,0,0|2,0,0]=4 436 B15R2.3989 O=C(NCc1cnco1)C2CCCN2 Amb24450005 [0,1,0,1,0,0|2,0,0]=4 437 B15R2.3989 O=C(NCc1ncco1)C2CCCN2 Amb27404966 [0,1,0,1,0,0|2,0,0]=4 438 B15R2.3989 S=C(NCc1ccco1)N2CCCC2 Amb6514496 [0,1,0,1,0,0|1,1,0]=4 439 B15R2.4334 CCC1CCC(=O)CC1c2ccco2 Amb32865465 [0,1,0,1,0,0|1,0,0]=3 440 B15R2.4334 CCC1CCC(=O)CC1c2cccs2 Amb32865478 [0,1,0,1,0,0|1,1,0]=4 441 B15R2.4334 CCN1CCC(=O)CC1c2ccco2 Amb25700035 [0,1,0,1,0,0|1,0,0]=3 442 B15R2.4334 CCN1CCC(=O)CC1c2cccs2 Amb26383934 [0,1,0,1,0,0|1,1,0]=4 443 B15R2.4907 N#CC1CCC(=O)N1Cc2ccco2 Amb5755887 [0,1,0,1,0,0|1,0,1]=4 444 B15R2.4907 O=C1CCC(CO)N1Cc2ccco2 Amb5755826 [0,1,0,1,0,0|1,0,0]=3 445 B15R2.4907 O=C1CCC(CO)N1Cc2cccs2 Amb5755827 [0,1,0,1,0,0|1,1,0]=4 446 B15R2.15371 CC1CNCC(=O)N1Cc2ccco2 Amb27242490 [0,1,0,1,0,0|1,0,0]=3 447 B15R2.15371 CC1CNCC(=O)N1Cc2cccs2 Amb26656703 [0,1,0,1,0,0|1,1,0]=4 448 B15R2.24499 O=C(CNC1CC1)NCc2cccs2 Amb9102053 [0,1,0,1,0,0|1,1,0]=4 449 B15R2.358 O=C1CCCCC1C(=O)c2ccco2 Amb19073802 [0,1,0,1,0,0|1,0,1]=4 450 B15R2.358 O=C1CCCC[C@H]1[C@@H](O)c2ccco2 Amb27619204 [0,1,0,1,0,0|1,0,0]=3 451 B15R2.1060 CC1CC1C(=O)CC(=O)c2ccco2 Amb33355824 [0,1,0,1,0,0|1,0,1]=4 452 B15R2.1273 NCCN1CC(c2ccco2)OC1=O Amb17236359 [0,1,0,1,0,0|2,0,0]=4 453 B15R2.1273 O=C1OC(c2ccco2)CN1CCCl Amb17242154 [0,1,0,1,0,0|2,0,0]=4 454 B15R2.2235 CCC1CS(=O)CC(c2ccco2)N1 Amb28346158 [0,1,0,1,0,0|2,0,0]=4 455 B15R2.6857 CC(NC(=O)C1CCC1)c2ccco2 Amb13966455 [0,1,0,1,0,0|1,0,0]=3 456 B15R2.6857 CC(NC(=O)C1CCC1)c2cccs2 Amb8244636 [0,1,0,1,0,0|1,1,0]=4 457 B15R2.6857 CC(NC(=O)C1CCN1)c2ccco2 Amb27200951 [0,1,0,1,0,0|2,0,0]=4 458 B15R2.6857 CC(NC(=O)[C@H]1CCN1)c2ccco2 Amb28192706 [0,1,0,1,0,0|2,0,0]=4 459 B15R2.6857 C[C@@H](NC(=O)C1CCN1)c2ccco2 Amb27490216 [0,1,0,1,0,0|2,0,0]=4 460 B15R2.6857 O=C(CC(=O)C1CCC1)c2ccco2 Amb33355566 [0,1,0,1,0,0|1,0,1]=4 461 B15R2.6857 O=C(NC(=O)C1CCC1)c2ccco2 Amb28252414 [0,1,0,1,0,0|1,0,1]=4 462 B15R2.16434 NC(CC(=O)NC1CC1)c2ccco2 Amb17235921 [0,1,0,1,0,0|2,0,0]=4 463 B15R2.290 CC1CCC(=O)CC1c2ccc(Cl)s2 Amb32865313 [0,1,0,1,0,0|1,1,0]=4 464 B15R2.290 Cc1ccc(C2CC(=O)CCC2C)s1 Amb32865276 [0,1,0,1,0,0|1,1,0]=4 465 B15R2.290 Cc1ccc(C2NC(=O)CCC2N)o1 Amb27806885 [0,1,0,1,0,0|2,0,0]=4 466 B15R2.290 Cc1coc(C2CC(=O)CCC2C)c1 Amb32865444 [0,1,0,1,0,0|1,0,0]=3 467 B15R2.305 Cc1ccc(CN2CCCNC2=O)o1 Amb27833807 [0,1,0,1,0,0|2,0,0]=4 468 B15R2.305 Cc1ccc(CN2CCNCC2=O)o1 Amb25754489 [0,1,0,1,0,0|2,0,0]=4 469 B15R2.305 N=C1CCCCN1Cc2ccc(Cl)o2 Amb35635349 [0,1,0,1,0,0|2,0,0]=4 470 B15R2.305 O=C1CCCCC1Cc2cc(Br)cs2 Amb27445378 [0,1,0,1,0,0|1,1,0]=4 471 B15R2.305 O=C1CCCCN1Cc2ccc(Br)s2 Amb28347706 [0,1,0,1,0,0|1,1,0]=4 472 B15R2.305 O=C1CCOCC1Cc2ccc(Br)o2 Amb27245904 [0,1,0,1,0,0|2,0,0]=4 473 B15R2.305 O=C1CNCCN1Cc2ccc(Br)o2 Amb27768207 [0,1,0,1,0,0|2,0,0]=4 474 B15R2.305 O=C1COCCN1Cc2ccc(Br)o2 Amb28201750 [0,1,0,1,0,0|2,0,0]=4 475 B15R2.305 O=C1NCCCN1Cc2ccc(Cl)o2 Amb30036288 [0,1,0,1,0,0|2,0,0]=4 476 B15R2.305 O=C1OCCCN1Cc2ccc(Br)o2 Amb28201728 [0,1,0,1,0,0|2,0,0]=4 477 B15R2.544 Cc1ccc(C2CCCCC(=O)C2)s1 Amb27206396 [0,1,0,1,0,0|1,1,0]=4 478 B15R2.6920 CC1CC1C(=O)NCc2ccc(Br)o2 Amb27768254 [0,1,0,1,0,0|1,0,0]=3 479 B15R2.6920 CC1CC1C(=O)NCc2ccc(Br)s2 Amb8266073 [0,1,0,1,0,0|1,1,0]=4 480 B15R2.6945 CC1CCC(=O)N1Cc2cc(Br)cs2 Amb28281066 [0,1,0,1,0,0|1,1,0]=4 481 B15R2.6945 CC1OCC(=O)C1Cc2ccc(Br)o2 Amb35697581 [0,1,0,1,0,0|2,0,0]=4 482 B15R2.6948 Cc1ccc(CNC(=O)NC2CC2)o1 Amb28460891 [0,1,0,1,0,0|2,0,0]=4 483 B15R2.6948 O=C(NCc1ccc(Cl)o1)NC2CC2 Amb35724886 [0,1,0,1,0,0|2,0,0]=4 484 B15R2.41332 O=C(NCc1cc(Br)cs1)C2CCC2 Amb11398787 [0,1,0,1,0,0|1,1,0]=4 485 B15R2.41332 O=C(NCc1ccc(Br)o1)C2CCC2 Amb27245901 [0,1,0,1,0,0|1,0,0]=3 486 B15R2.41332 O=C(NCc1ccc(Cl)o1)C2CCN2 Amb35654945 [0,1,0,1,0,0|2,0,0]=4 487 B15R2.41332 O=C(NCc1ccc(Cl)o1)C2CNC2 Amb35676051 [0,1,0,1,0,0|2,0,0]=4 488 B15R2.4706 CNC1CC(=O)N(Cc2ccco2)C1 Amb25722171 [0,1,0,1,0,0|2,0,0]=4 489 B15R2.4706 NCC1CC(=O)N(Cc2ccco2)C1 Amb17077361 [0,1,0,1,0,0|2,0,0]=4 490 B15R2.4706 O=C1CC(CO)CN1Cc2ccco2 Amb5755316 [0,1,0,1,0,0|2,0,0]=4 491 B15R2.1154 NC1CCN(Cc2ccco2)C(=O)C1 Amb25671861 [0,1,0,1,0,0|1,0,0]=3 492 B15R2.1154 O=C1CCN(Cc2ccco2)C(=O)C1 Amb23400306 [0,1,0,1,0,0|1,0,1]=4 493 B15R2.7084 O=C1CC(O)C(O)N1Cc2ccco2 Amb27764819 [0,1,0,1,0,0|2,0,0]=4 494 B15R2.7084 O=C1C[C@H](O)[C@@H](O)N1Cc2ccco2 Amb27472649 [0,1,0,1,0,0|2,0,0]=4 495 B15R2.1095 NC1CC(C(=O)NCc2ccco2)C1 Amb35594719 [0,1,0,1,0,0|1,0,0]=3 496 B15R2.1095 NC1CC(C(=O)NCc2cccs2)C1 Amb35594729 [0,1,0,1,0,0|1,1,0]=4 497 B15R2.1095 NC1CC(C(=O)NCc2ccno2)C1 Amb29888388 [0,1,0,1,0,0|2,0,0]=4 498 B15R2.1095 N[C@H]1C[C@@H](C(=O)NCc2ccco2)C1 Amb35677972 [0,1,0,1,0,0|1,0,0]=3 499 B15R2.1095 N[C@H]1C[C@@H](C(=O)NCc2cccs2)C1 Amb30009775 [0,1,0,1,0,0|1,1,0]=4 500 B15R2.1095 N[C@H]1C[C@@H](C(=O)NCc2ccno2)C1 Amb35594546 [0,1,0,1,0,0|2,0,0]=4 501 B15R2.1095 N[C@H]1C[C@H](C(=O)NCc2ccco2)C1 Amb30033381 [0,1,0,1,0,0|1,0,0]=3 502 B15R2.1095 N[C@H]1C[C@H](C(=O)NCc2cccs2)C1 Amb35594655 [0,1,0,1,0,0|1,1,0]=4 503 B15R2.1095 N[C@H]1C[C@H](C(=O)NCc2ccno2)C1 Amb29886283 [0,1,0,1,0,0|2,0,0]=4 504 B15R2.1109 CC1NCCN(Cc2ccco2)C1=O Amb22009266 [0,1,0,1,0,0|2,0,0]=4 505 B15R2.1109 NC1CCCN(Cc2ccco2)C1=O Amb28137648 [0,1,0,1,0,0|1,0,0]=3 506 B15R2.1109 NC1CCCN(Cc2ccno2)C1=O Amb27171904 [0,1,0,1,0,0|2,0,0]=4 507 B15R2.1109 O=C1C(Br)CCCN1Cc2ccco2 Amb28059942 [0,1,0,1,0,0|1,0,0]=3 508 B15R2.1109 O=C1C(Br)CCCN1Cc2ccno2 Amb27824176 [0,1,0,1,0,0|2,0,0]=4 509 B15R2.95176 NC1(C(=O)NCc2ccno2)CCC1 Amb27250067 [0,1,0,1,0,0|2,0,0]=4 510 B15R2.359 O=C1CCCCC1Cc2sccc2Br Amb27615644 [0,1,0,1,0,0|1,1,0]=4 511 B15R2.359 O=C1CCCCN1Cc2sccc2Br Amb27956671 [0,1,0,1,0,0|1,1,0]=4 512 B15R2.390 CC1CCC(=O)CC1c2occc2Br Amb32865332 [0,1,0,1,0,0|1,0,0]=3 513 B15R2.390 CC1CCC(=O)CC1c2sccc2Br Amb32865334 [0,1,0,1,0,0|1,1,0]=4 514 B15R2.390 CC1CCC(=O)CC1c2sccc2Cl Amb32865314 [0,1,0,1,0,0|1,1,0]=4 515 B15R2.390 Cc1ccsc1C2CC(=O)CCC2C Amb32865352 [0,1,0,1,0,0|1,1,0]=4 516 B15R2.7644 CC1CC1C(=O)NCc2sccc2Br Amb15563149 [0,1,0,1,0,0|1,1,0]=4 517 B15R2.8486 CC1CCC(=O)N1Cc2sccc2Br Amb27946256 [0,1,0,1,0,0|1,1,0]=4 518 B15R2.8639 O=C1CCCCC(c2occc2Br)C1 Amb27783780 [0,1,0,1,0,0|1,0,0]=3 519 B15R2.8639 O=C1CCCCC(c2sccc2Br)C1 Amb27965300 [0,1,0,1,0,0|1,1,0]=4 520 B15R2.8639 O=C1CCCCC(c2sccc2Cl)C1 Amb27667385 [0,1,0,1,0,0|1,1,0]=4 521 B15R2.44125 Cc1ccoc1CNC(=O)C2CNC2 Amb28195538 [0,1,0,1,0,0|2,0,0]=4 522 B15R2.100 CC1CCC(OCc2ccco2)CN1 Amb27236164 [0,1,0,1,0,0|1,0,1]=4 523 B15R2.100 NC1CCC(OCc2ccco2)CC1 Amb19000637 [0,1,0,1,0,0|1,0,1]=4 524 B15R2.100 N[C@H]1CC[C@H](OCc2ccco2)CC1 Amb27877232 [0,1,0,1,0,0|1,0,1]=4 525 B15R2.123 O\N=C1/CCCCC1Cc2ccco2 Amb27855562 [0,1,0,1,0,0|1,0,1]=4 526 B15R2.328 CC(C)C1NC(=O)OC1c2ccco2 Amb27235926 [0,1,0,1,0,0|1,0,0]=3 527 B15R2.391 CC1(C)CCC(=O)CC1c2ccco2 Amb32865647 [0,1,0,1,0,0|1,0,0]=3 528 B15R2.391 CC1(C)CCC(=O)CC1c2cccs2 Amb32865666 [0,1,0,1,0,0|1,1,0]=4 529 B15R2.1026 CN(C)C[C@@H]1C(=O)N[C@@H]1c2ccco2 Amb27841080 [0,1,0,1,0,0|2,0,0]=4 530 B15R2.1026 CN(C)C[C@H]1C(=O)N[C@@H]1c2ccco2 Amb28292802 [0,1,0,1,0,0|2,0,0]=4 531 B15R2.7349 CC1(C)NCC(=O)N1Cc2ccco2 Amb27396596 [0,1,0,1,0,0|2,0,0]=4 532 B15R2.7349 CC1(O)CCC(=O)N1Cc2ccco2 Amb6372944 [0,1,0,1,0,0|1,0,0]=3 533 B15R2.8883 O=S1(=O)CCCCN1Cc2ccco2 Amb17404429 [0,1,0,1,0,0|2,0,0]=4 534 B15R3.84 O=C1NC(c2cccs2)C13CCC3 Amb27435549 [0,0,0,2,0,0|1,1,0]=4 535 B15R3.88 O=C1NC(c2cccs2)C1C3CC3 Amb27433395 [0,0,0,2,0,0|1,1,0]=4 536 B11R1.30 CCCC(=O)CC1=CCCO1 Amb27672361 [1,0,0,0,1,0|0,0,2]=4 537 B11R1.30 CCCC(=O)Cc1ccco1 Amb10608081 [1,0,0,0,1,0|0,0,0]=2 538 B11R1.30 CCCC(=O)Cc1ccoc1 Amb27986302 [1,0,0,0,1,0|2,0,0]=4 539 B11R1.30 CCCC(=O)Cc1ccsc1 Amb18180161 [1,0,0,0,1,0|2,0,0]=4 540 B11R1.30 CCCC(=O)Cc1nccs1 Amb27269136 [1,0,0,0,1,0|1,1,0]=4 541 B11R1.30 CCCC(=O)Cn1cccn1 Amb18799411 [1,0,0,0,1,0|2,0,0]=4 542 B11R1.30 CCCC(=O)Nc1ncco1 Amb27853086 [1,0,0,0,1,0|2,0,0]=4 543 B11R1.30 CCCC(O)Cc1ccco1 Amb27986288 [1,0,0,0,1,0|0,0,2]=4 544 B11R1.30 CCNC(=O)Nc1ccco1 Amb28349736 [1,0,0,0,1,0|2,0,0]=4 545 B11R1.30 CCOC(=O)Cc1ccco1 Amb27266773 [1,0,0,0,1,0|1,0,0]=3 546 B11R1.30 CCOC(=O)Cc1cccs1 Amb2687957 [1,0,0,0,1,0|1,1,0]=4 547 B11R1.30 CCOC(=O)Cc1ncco1 Amb26998110 [1,0,0,0,1,0|2,0,0]=4 548 B11R1.30 CCOC(=O)Nc1ccco1 Amb24744539 [1,0,0,0,1,0|2,0,0]=4 549 B11R1.30 CCSC(=O)Nc1ccco1 Amb27955904 [1,0,0,0,1,0|2,0,0]=4 550 B11R1.30 CNCC(=O)Cc1ccco1 Amb26651238 [1,0,0,0,1,0|1,0,0]=3 551 B11R1.30 CNCC(=O)Cc1cccs1 Amb26651299 [1,0,0,0,1,0|1,1,0]=4 552 B11R1.30 COCC(=O)Cc1ccco1 Amb27986306 [1,0,0,0,1,0|1,0,0]=3 553 B11R1.30 COCC(=O)Cc1cccs1 Amb18801755 [1,0,0,0,1,0|1,1,0]=4 554 B11R1.30 NCCC(=O)Cc1ccco1 Amb26651249 [1,0,0,0,1,0|1,0,0]=3 555 B11R1.30 NCCC(=O)Cc1cccs1 Amb26651235 [1,0,0,0,1,0|1,1,0]=4 556 B11R1.29 C=CCCC(=O)c1ccco1 Amb27271593 [0,0,0,0,2,0|0,0,2]=4 557 B11R1.29 CCCCC(=O)C1=CCCO1 Amb27492703 [0,0,0,0,2,0|0,0,2]=4 558 B11R1.29 CCCCC(=O)c1ccco1 Amb10070291 [0,0,0,0,2,0|0,0,0]=2 559 B11R1.29 CCCCC(=O)c1cccs1 Amb8850831 [0,0,0,0,2,0|0,1,0]=3 560 B11R1.29 CCCCC(=O)c1ccoc1 Amb10562664 [0,0,0,0,2,0|2,0,0]=4 561 B11R1.29 CCCCC(=O)c1cscn1 Amb26997873 [0,0,0,0,2,0|2,0,0]=4 562 B11R1.29 CCCCC(=O)c1nccs1 Amb33250592 [0,0,0,0,2,0|1,1,0]=4 563 B11R1.29 CCCCC(Cl)c1ccco1 Amb27990129 [0,0,0,0,2,0|1,0,1]=4 564 B11R1.29 CCCCC(N)c1ccco1 Amb18796711 [0,0,0,0,2,0|1,0,1]=4 565 B11R1.29 CCCC[C@@H](N)c1ccco1 Amb27269531 [0,0,0,0,2,0|1,0,1]=4 566 B11R1.29 CCCC[C@H](N)c1ccco1 Amb27269532 [0,0,0,0,2,0|1,0,1]=4 567 B11R1.29 CCCOC(=O)c1ccco1 Amb9242873 [0,0,0,0,2,0|1,0,0]=3 568 B11R1.29 CCCOC(=O)c1cnco1 Amb28387222 [0,0,0,0,2,0|2,0,0]=4 569 B11R1.29 CCCOC(=O)c1ncco1 Amb27492623 [0,0,0,0,2,0|2,0,0]=4 570 B11R1.29 CCNCC(=O)c1ccco1 Amb26651169 [0,0,0,0,2,0|1,0,0]=3 571 B11R1.29 CCNCC(=O)c1cccs1 Amb17314790 [0,0,0,0,2,0|1,1,0]=4 572 B11R1.29 CCOCC(=O)c1ccco1 Amb9666059 [0,0,0,0,2,0|1,0,0]=3 573 B11R1.29 CCOCC(=O)c1ncco1 Amb27492624 [0,0,0,0,2,0|2,0,0]=4 574 B11R1.29 CCONC(=O)c1ccco1 Amb10572673 [0,0,0,0,2,0|2,0,0]=4 575 B11R1.29 CCSCC(=O)c1ccco1 Amb9668504 [0,0,0,0,2,0|1,0,0]=3 576 B11R1.29 CNCCC(=O)c1ccco1 Amb25382971 [0,0,0,0,2,0|1,0,0]=3 577 B11R1.29 CNCCC(=O)c1cccs1 Amb17334774 [0,0,0,0,2,0|1,1,0]=4 578 B11R1.29 CNCCC(=O)c1cccs1 Amb22235115 [0,0,0,0,2,0|1,1,0]=4 579 B11R1.29 N#CCCC(=O)c1ccco1 Amb408799 [0,0,0,0,2,0|1,0,1]=4 580 B11R1.29 NCCCC(=O)c1ccco1 Amb18120247 [0,0,0,0,2,0|1,0,0]=3 581 B11R1.29 NCCCC(=O)c1cccs1 Amb18623716 [0,0,0,0,2,0|1,1,0]=4 582 B11R1.29 NCCNC(=O)c1ccco1 Amb1869482 [0,0,0,0,2,0|2,0,0]=4 583 B11R1.29 NCCNC(=O)c1ccco1 Amb4026631 [0,0,0,0,2,0|2,0,0]=4 584 B11R1.29 O=C(CCCBr)c1ccco1 Amb10562218 [0,0,0,0,2,0|1,0,0]=3 585 B11R1.29 O=C(CCCBr)c1cccs1 Amb17250552 [0,0,0,0,2,0|1,1,0]=4 586 B11R1.29 O=C(CCCCl)c1ccco1 Amb17138699 [0,0,0,0,2,0|1,0,0]=3 587 B11R1.29 O=C(CCCCl)c1cccs1 Amb1159154 [0,0,0,0,2,0|1,1,0]=4 588 B11R1.29 O=C(CCCO)c1cccs1 Amb1110142 [0,0,0,0,2,0|1,1,0]=4 589 B11R1.29 O=C(NCCCl)c1ccco1 Amb17103197 [0,0,0,0,2,0|2,0,0]=4 590 B11R1.29 O=C(NCCO)c1ccco1 Amb9242269 [0,0,0,0,2,0|2,0,0]=4 591 B11R1.29 O=C(OCCF)c1ccco1 Amb27818404 [0,0,0,0,2,0|2,0,0]=4 592 B11R1.29 O=C(OCCO)c1ccco1 Amb27272304 [0,0,0,0,2,0|2,0,0]=4 593 B11R1.285 CCCCC(=O)OC[C@@H]1CO1 Amb28988550 [0,0,0,0,2,0|0,0,2]=4 594 B15R1.157 CCCCC(=O)CNCc1ccccc1 Amb33131583 [0,0,0,0,0,2|2,0,0]=4 595 B15R1.157 CNCCC(=O)NOCc1ccccc1 Amb27863313 [0,0,0,0,0,2|2,0,0]=4 596 B15R1.157 CSCCC(=O)NOCc1ccccc1 Amb27590507 [0,0,0,0,0,2|2,0,0]=4 597 B15R1.157 NCCCC(=O)NOCc1ccccc1 Amb24364961 [0,0,0,0,0,2|2,0,0]=4