0 B12R1.125 CC(=O)NCc1ccccc1Br AIFCHEM-94605352816 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.125 CC(=O)NCc1ccccc1O AIFCHEM-94535601059 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.125 CC(O)C=Cc1ccccc1F AIFCHEM-6194306919 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.125 CC(O)C=Cc1cnccc1F AIFCHEM-6291790610 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.125 CC(O)C=Cc1cncnc1O AIFCHEM-94560351426 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.125 CC(O)C=Cc1ncccc1N AIFCHEM-6362339694 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.125 Cc1cnccc1C=CC(C)O AIFCHEM-6384264405 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.17 Cc1ccncc1C=CCO AIFCHEM-6424106960 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.17 OCC=Cc1ccccc1O AIFCHEM-6364368587 [1,0,0,0,0,0|0,0,1]=2 9 B13R1.90 CC(O)C=Cc1ccccc1CO AIFCHEM-6311091209 [0,1,0,0,0,0|1,0,1]=3 10 B13R1.90 CC(O)C=Cc1cccnc1CO AIFCHEM-6296374115 [0,1,0,0,0,0|2,0,1]=4 11 B13R1.90 CC(O)C=Cc1cnccc1CO AIFCHEM-6351052320 [0,1,0,0,0,0|2,0,1]=4 12 B13R1.90 CSc1ccccc1C=CC(C)O AIFCHEM-6341944588 [0,1,0,0,0,0|1,1,1]=4 13 B13R1.150 CC(=O)NCc1cccc(c1O)Br AIFCHEM-94605347587 [0,1,0,0,0,0|2,0,1]=4 14 B13R1.150 CC(=O)NCc1cccc(c1O)C AIFCHEM-94605348593 [0,1,0,0,0,0|2,0,1]=4 15 B13R1.150 CC(=O)NCc1cccc(c1O)F AIFCHEM-94535593612 [0,1,0,0,0,0|2,0,1]=4 16 B13R1.150 CC(=O)NCc1cccc(c1O)O AIFCHEM-94535589508 [0,1,0,0,0,0|2,0,1]=4 17 B13R1.150 CC(O)C=Cc1cccc(c1N)N AIFCHEM-6407909796 [0,1,0,0,0,0|2,0,1]=4 18 B13R1.150 CC(O)C=Cc1cccc(c1O)F AIFCHEM-6422661050 [0,1,0,0,0,0|1,0,1]=3 19 B13R1.150 CC(O)C=Cc1cccc(c1O)O AIFCHEM-6308212490 [0,1,0,0,0,0|1,0,1]=3 20 B13R1.150 Cc1c(cccc1C=CC(C)O)N AIFCHEM-6167828909 [0,1,0,0,0,0|2,0,1]=4 21 B13R1.157 CC(C)(O)C=Cc1ccccc1O AIFCHEM-6343910298 [0,1,0,0,0,0|1,0,1]=3 22 B13R1.164 CC(=O)NCc1ccc(cc1O)Br AIFCHEM-94605348591 [0,1,0,0,0,0|2,0,1]=4 23 B13R1.164 CC(=O)NCc1ccc(cc1O)F AIFCHEM-94535600212 [0,1,0,0,0,0|2,0,1]=4 24 B13R1.201 CC(=O)NC(C)c1ccccc1O AIFCHEM-94603821401 [0,1,0,0,0,0|2,0,1]=4 25 B13R1.201 CC(=O)N[C@@H](C)c1ccccc1O AIFCHEM-94543560091 [0,1,0,0,0,0|2,0,1]=4 26 B13R1.201 CC(=O)N[C@H](C)c1ccccc1O AIFCHEM-94535590096 [0,1,0,0,0,0|2,0,1]=4 27 B13R1.202 CC(=O)N(C)Cc1ccccc1O AIFCHEM-94535597948 [0,1,0,0,0,0|2,0,1]=4 28 B13R1.528 C#CC(=O)NCc1ccccc1O AIFCHEM-94592072286 [0,1,0,0,0,0|2,0,1]=4 29 B13R1.528 CCC(=O)NCc1ccccc1O AIFCHEM-94592074375 [0,1,0,0,0,0|2,0,1]=4 30 B13R1.528 O=C(CO)NCc1ccccc1Br AIFCHEM-5867710510 [0,1,0,0,0,0|2,0,1]=4 31 B13R1.528 O=C(CO)NCc1ccccc1I AIFCHEM-94532682311 [0,1,0,0,0,0|2,0,1]=4 32 B13R1.528 O=C(CO)NCc1ccccc1O AIFCHEM-94532675766 [0,1,0,0,0,0|1,0,1]=3 33 B13R1.893 CC(=O)NCc1cc(ccc1O)Br AIFCHEM-94535592844 [0,1,0,0,0,0|2,0,1]=4 34 B13R1.893 CC(=O)NCc1cc(ccc1O)C AIFCHEM-94577951124 [0,1,0,0,0,0|2,0,1]=4 35 B13R1.893 CC(=O)NCc1cc(ccc1O)Cl AIFCHEM-94535596130 [0,1,0,0,0,0|2,0,1]=4 36 B13R1.893 CC(=O)NCc1cc(ccc1O)F AIFCHEM-94535589094 [0,1,0,0,0,0|2,0,1]=4 37 B13R1.893 CC(O)C=Cc1cc(ccc1N)N AIFCHEM-6485838671 [0,1,0,0,0,0|2,0,1]=4 38 B13R1.893 CC(O)C=Cc1cc(ccc1O)N AIFCHEM-5885074818 [0,1,0,0,0,0|1,0,1]=3 39 B13R1.893 Cc1cc(c(cn1)O)C=CC(C)O AIFCHEM-6336143892 [0,1,0,0,0,0|2,0,1]=4 40 B13R1.893 Cc1ccc(c(c1)C=CC(C)O)C AIFCHEM-6368213891 [0,1,0,0,0,0|2,0,1]=4 41 B13R1.3787 CC(=O)NCc1c(cccc1Br)O AIFCHEM-94535594124 [0,1,0,0,0,0|2,0,1]=4 42 B13R1.3787 CC(=O)NCc1c(cccc1F)O AIFCHEM-94535593728 [0,1,0,0,0,0|2,0,1]=4 43 B13R1.3787 CC(O)C=Cc1c(cccc1F)O AIFCHEM-6336938203 [0,1,0,0,0,0|1,0,1]=3 44 B13R1.3787 Cc1cccc(c1C=CC(C)O)O AIFCHEM-6311454853 [0,1,0,0,0,0|1,0,1]=3 45 B11R1.86 CC(=O)Nc1ccccc1C AIFCHEM-94578149958 [0,0,0,0,1,0|3,0,0]=4 46 B11R1.86 CC(=O)Nc1ccccc1F AIFCHEM-6022739701 [0,0,0,0,1,0|3,0,0]=4 47 B11R1.86 CC(=O)Nc1ccccc1I AIFCHEM-94605354755 [0,0,0,0,1,0|3,0,0]=4 48 B11R1.86 CC(=O)Nc1ccccc1O AIFCHEM-94605355387 [0,0,0,0,1,0|2,0,0]=3 49 B11R1.86 CC(=O)Nc1cnccc1O AIFCHEM-94605354960 [0,0,0,0,1,0|3,0,0]=4 50 B13R1.158 NC(=O)CNCc1ccccc1O AIFCHEM-94550120374 [0,0,0,0,0,1|1,0,2]=4 51 B13R1.158 O=C(O)CNCc1ccccc1O AIFCHEM-94532467001 [0,0,0,0,0,1|0,0,2]=3 52 B13R1.158 O=C(O)CNCc1cccnc1O AIFCHEM-94541104874 [0,0,0,0,0,1|1,0,2]=4 53 B10R1.4 CC=Cc1ccccc1C AIFCHEM-6371242545 [2,0,0,0,0,0|1,0,1]=4 54 B12R1.25 OCC=Cc1cccc(c1O)O AIFCHEM-6309534545 [1,1,0,0,0,0|0,0,1]=3 55 B12R1.69 Cc1ccc(c(c1)C)C=CCO AIFCHEM-94607013894 [1,1,0,0,0,0|1,0,1]=4 56 B12R1.69 Cc1ccc(c(c1)F)C=CCO AIFCHEM-6337803033 [1,1,0,0,0,0|1,0,1]=4 57 B12R1.69 Nc1cc(ccc1C=CCO)O AIFCHEM-6118720578 [1,1,0,0,0,0|1,0,1]=4 58 B12R1.69 OCC=Cc1ccc(cc1O)O AIFCHEM-6301496114 [1,1,0,0,0,0|0,0,1]=3 59 B12R1.121 CCc1ccccc1C=CCO AIFCHEM-6403285681 [1,1,0,0,0,0|1,0,1]=4 60 B12R1.121 COc1cnccc1C=CCO AIFCHEM-6366453398 [1,1,0,0,0,0|1,0,1]=4 61 B12R1.121 COc1ncccc1C=CCO AIFCHEM-6291962493 [1,1,0,0,0,0|1,0,1]=4 62 B12R1.121 OCC=Cc1cccnc1CO AIFCHEM-6319523560 [1,1,0,0,0,0|1,0,1]=4 63 B12R1.121 OCC=Cc1cnccc1CO AIFCHEM-6313458849 [1,1,0,0,0,0|1,0,1]=4 64 B12R1.267 COCC=Cc1ccccc1F AIFCHEM-6203896649 [1,1,0,0,0,0|1,0,1]=4 65 B12R1.267 COCC=Cc1ccccc1O AIFCHEM-6341471182 [1,1,0,0,0,0|0,0,1]=3 66 B12R1.374 Cc1cc(c(cn1)O)C=CCO AIFCHEM-6299058679 [1,1,0,0,0,0|1,0,1]=4 67 B12R1.374 Cc1ccc(c(n1)C=CCO)O AIFCHEM-6415695634 [1,1,0,0,0,0|1,0,1]=4 68 B12R1.374 Nc1ccc(c(c1)C=CCO)F AIFCHEM-5796105624 [1,1,0,0,0,0|1,0,1]=4 69 B12R1.374 OCC=Cc1cc(ccc1F)O AIFCHEM-6316570592 [1,1,0,0,0,0|1,0,1]=4 70 B12R1.1631 Cc1cccc(c1C=CCO)F AIFCHEM-6339770229 [1,1,0,0,0,0|1,0,1]=4 71 B12R1.1631 Cc1cccc(c1C=CCO)N AIFCHEM-5754692448 [1,1,0,0,0,0|1,0,1]=4 72 B12R1.1631 Cc1cccc(c1C=CCO)O AIFCHEM-6378257590 [1,1,0,0,0,0|0,0,1]=3 73 B12R1.1631 Nc1cccc(c1C=CCO)O AIFCHEM-5847428384 [1,1,0,0,0,0|0,0,1]=3 74 B12R1.1631 OCC=Cc1c(cccc1F)F AIFCHEM-6357391618 [1,1,0,0,0,0|1,0,1]=4 75 B12R1.1631 OCC=Cc1c(cccc1F)O AIFCHEM-6381666064 [1,1,0,0,0,0|0,0,1]=3 76 B12R1.21 CC(O)C=Cc1ccc(cc1)O AIFCHEM-94601033022 [1,1,0,0,0,0|1,0,1]=4 77 B12R1.21 Cc1ccc(cc1)C=CC(C)O AIFCHEM-94528939842 [1,1,0,0,0,0|1,0,1]=4 78 B12R1.891 CC(C)(O)C=Cc1ccccc1 AIFCHEM-94590917375 [1,1,0,0,0,0|1,0,1]=4 79 B12R1.75 COc1ccccc1NC(=O)C AIFCHEM-94535590793 [0,1,0,0,1,0|2,0,0]=4 80 B12R1.124 CC(=O)N(C)c1ccccc1O AIFCHEM-94535598018 [0,1,0,0,1,0|2,0,0]=4 81 B12R1.127 CC(=Cc1cc(ccc1O)N)C AIFCHEM-6050835391 [0,1,0,0,1,0|2,0,0]=4 82 B12R1.127 CC(=O)Nc1cc(ccc1O)C AIFCHEM-94535601312 [0,1,0,0,1,0|2,0,0]=4 83 B12R1.224 CC(=Cc1cccc(c1O)O)C AIFCHEM-6309171139 [0,1,0,0,1,0|2,0,0]=4 84 B12R1.224 CC(=O)Nc1cccc(c1O)F AIFCHEM-94535597309 [0,1,0,0,1,0|2,0,0]=4 85 B12R1.233 CC(=O)Nc1ccc(cc1O)Cl AIFCHEM-94605351667 [0,1,0,0,1,0|2,0,0]=4 86 B12R1.1009 CC(=O)Nc1c(cccc1Cl)O AIFCHEM-94605354309 [0,1,0,0,1,0|2,0,0]=4 87 B14R1.154 O=C(O)CNCc1cccc(c1O)Br AIFCHEM-5913099658 [0,1,0,0,0,1|0,0,2]=4 88 B14R1.154 O=C(O)CNCc1cccc(c1O)Cl AIFCHEM-94542883143 [0,1,0,0,0,1|0,0,2]=4 89 B14R1.154 O=C(O)CNCc1cccc(c1O)F AIFCHEM-5913143712 [0,1,0,0,0,1|0,0,2]=4 90 B14R1.161 CC(NCc1ccccc1O)C(=O)O AIFCHEM-94532464066 [0,1,0,0,0,1|0,0,2]=4 91 B14R1.161 C[C@@H](NCc1ccccc1O)C(=O)O AIFCHEM-94532464536 [0,1,0,0,0,1|0,0,2]=4 92 B14R1.161 C[C@H](NCc1ccccc1O)C(=O)O AIFCHEM-94576655007 [0,1,0,0,0,1|0,0,2]=4 93 B14R1.161 O=C(O)C(O)NCc1ccccc1O AIFCHEM-94532466047 [0,1,0,0,0,1|0,0,2]=4 94 B14R1.337 CN(CC(=O)O)Cc1ccccc1O AIFCHEM-94554261915 [0,1,0,0,0,1|0,0,2]=4 95 B14R1.837 COC(=O)CNCc1ccccc1O AIFCHEM-94532467104 [0,1,0,0,0,1|0,0,2]=4 96 B14R1.4464 Cc1ccc(c(c1)O)CNCC(=O)O AIFCHEM-94542886255 [0,1,0,0,0,1|0,0,2]=4 97 B14R1.4464 O=C(O)CNCc1ccc(cc1O)Br AIFCHEM-94542883557 [0,1,0,0,0,1|0,0,2]=4 98 B14R1.4464 O=C(O)CNCc1ccc(cc1O)Cl AIFCHEM-5889123396 [0,1,0,0,0,1|0,0,2]=4 99 B14R1.4920 O=C(O)CNCc1c(cccc1Br)O AIFCHEM-5979083581 [0,1,0,0,0,1|0,0,2]=4 100 B14R1.4920 O=C(O)CNCc1c(cccc1Cl)O AIFCHEM-5979128580 [0,1,0,0,0,1|0,0,2]=4 101 B14R1.6072 Cc1ccc(c(c1)CNCC(=O)O)O AIFCHEM-94542885805 [0,1,0,0,0,1|0,0,2]=4 102 B14R1.6072 O=C(O)CNCc1cc(ccc1O)Br AIFCHEM-94542882901 [0,1,0,0,0,1|0,0,2]=4 103 B14R1.6072 O=C(O)CNCc1cc(ccc1O)Cl AIFCHEM-94542885962 [0,1,0,0,0,1|0,0,2]=4 104 B14R1.6072 O=C(O)CNCc1cc(ccc1O)F AIFCHEM-5889087173 [0,1,0,0,0,1|0,0,2]=4 105 B14R1.6072 O=C(O)CNCc1cc(ccc1O)I AIFCHEM-94542882902 [0,1,0,0,0,1|0,0,2]=4 106 B14R1.482 CC(O)C=Cc1ccccc1CON AIFCHEM-6334705649 [0,2,0,0,0,0|1,0,1]=4 107 B14R1.863 COc1ccccc1CNC(=O)CO AIFCHEM-5640000018 [0,2,0,0,0,0|1,0,1]=4 108 B14R1.1600 COc1cc(ccc1C=CC(C)O)F AIFCHEM-6326931955 [0,2,0,0,0,0|1,0,1]=4 109 B14R1.1865 CC(O)C=Cc1cc(ccc1CO)O AIFCHEM-6364511730 [0,2,0,0,0,0|1,0,1]=4 110 B14R1.2172 Cc1cccc(c1C=CC(C)O)CO AIFCHEM-6355614183 [0,2,0,0,0,0|1,0,1]=4 111 B14R1.4522 CC(O)C=Cc1ccccc1C(C)O AIFCHEM-6312118701 [0,2,0,0,0,0|1,0,1]=4 112 B14R1.4522 CC(O)C=Cc1ccccc1[C@@H](C)O AIFCHEM-6324024751 [0,2,0,0,0,0|1,0,1]=4 113 B14R1.4522 CC(O)C=Cc1ccccc1[C@H](C)O AIFCHEM-6296613198 [0,2,0,0,0,0|1,0,1]=4 114 B14R1.15 Cc1cccc(c1O)CNC(=O)CO AIFCHEM-94532679442 [0,2,0,0,0,0|1,0,1]=4 115 B14R1.15 O=C(CO)NCc1cccc(c1O)Br AIFCHEM-94532678916 [0,2,0,0,0,0|1,0,1]=4 116 B14R1.15 O=C(CO)NCc1cccc(c1O)F AIFCHEM-94532679739 [0,2,0,0,0,0|1,0,1]=4 117 B14R1.15 O=C(CO)NCc1cccc(c1O)O AIFCHEM-94532675635 [0,2,0,0,0,0|1,0,1]=4 118 B14R1.81 CC(O)C=Cc1cccc(c1O)CN AIFCHEM-6255515680 [0,2,0,0,0,0|1,0,1]=4 119 B14R1.5967 CC(C)(O)C=Cc1cccc(c1O)O AIFCHEM-6375470145 [0,2,0,0,0,0|1,0,1]=4 120 B14R1.5967 Cc1cccc(c1O)C=CC(C)(C)O AIFCHEM-6298150598 [0,2,0,0,0,0|1,0,1]=4 121 B14R1.6054 CC(O)C=Cc1c(ccc(c1O)N)F AIFCHEM-6237613285 [0,2,0,0,0,0|1,0,1]=4 122 B14R1.6054 Cc1ccc(c(c1C=CC(C)O)O)F AIFCHEM-6313511720 [0,2,0,0,0,0|1,0,1]=4 123 B14R1.6073 CC(C)(O)C=Cc1cc(ccc1O)O AIFCHEM-6378907594 [0,2,0,0,0,0|1,0,1]=4 124 B14R1.103 COc1ccc(c(c1)O)C=CC(C)O AIFCHEM-6326373023 [0,2,0,0,0,0|1,0,1]=4 125 B14R1.727 O=C(CO)NCc1ccc(cc1O)Br AIFCHEM-94532679440 [0,2,0,0,0,0|1,0,1]=4 126 B14R1.727 O=C(CO)NCc1ccc(cc1O)F AIFCHEM-94532686339 [0,2,0,0,0,0|1,0,1]=4 127 B14R1.6036 CC(O)C=Cc1cc(c(cc1O)F)N AIFCHEM-94540399192 [0,2,0,0,0,0|1,0,1]=4 128 B14R1.587 CC(NC(=O)CO)c1ccccc1O AIFCHEM-94532686799 [0,2,0,0,0,0|1,0,1]=4 129 B14R1.587 C[C@@H](NC(=O)CO)c1ccccc1O AIFCHEM-94532676223 [0,2,0,0,0,0|1,0,1]=4 130 B14R1.587 C[C@H](NC(=O)CO)c1ccccc1O AIFCHEM-94543562984 [0,2,0,0,0,0|1,0,1]=4 131 B14R1.1007 CN(Cc1ccccc1O)C(=O)CO AIFCHEM-94532684075 [0,2,0,0,0,0|1,0,1]=4 132 B14R1.598 COCC(=O)NCc1ccccc1O AIFCHEM-94592073446 [0,2,0,0,0,0|1,0,1]=4 133 B14R1.598 O=C(CCO)NCc1ccccc1O AIFCHEM-94592072495 [0,2,0,0,0,0|1,0,1]=4 134 B14R1.820 Cc1ccc(c(c1)CNC(=O)CO)O AIFCHEM-94577957727 [0,2,0,0,0,0|1,0,1]=4 135 B14R1.820 O=C(CO)NCc1cc(ccc1O)Br AIFCHEM-94532678971 [0,2,0,0,0,0|1,0,1]=4 136 B14R1.820 O=C(CO)NCc1cc(ccc1O)Cl AIFCHEM-94532682257 [0,2,0,0,0,0|1,0,1]=4 137 B14R1.820 O=C(CO)NCc1cc(ccc1O)F AIFCHEM-94532675221 [0,2,0,0,0,0|1,0,1]=4 138 B14R1.19598 O=C(CO)NCc1c(cccc1Br)O AIFCHEM-94532680251 [0,2,0,0,0,0|1,0,1]=4 139 B14R1.19598 O=C(CO)NCc1c(cccc1F)O AIFCHEM-94532679855 [0,2,0,0,0,0|1,0,1]=4 140 B14R1.2335 CC(O)C=Cc1cc(ccc1O)CO AIFCHEM-6351690102 [0,2,0,0,0,0|1,0,1]=4 141 B14R1.2335 COc1ccc(c(c1)C=CC(C)O)O AIFCHEM-6347511154 [0,2,0,0,0,0|1,0,1]=4 142 B14R2.256 Cc1cc(cs1)c2ccccc2O AIFCHEM-94553450624 [0,0,0,1,0,1|2,0,0]=4 143 B14R2.256 Cc1ccc(o1)c2ccncc2O AIFCHEM-6299701615 [0,0,0,1,0,1|2,0,0]=4 144 B14R2.256 Cc1csc(n1)c2ccccc2O AIFCHEM-6367142892 [0,0,0,1,0,1|2,0,0]=4 145 B14R2.256 Cc1nc(c[nH]1)c2ccccc2O AIFCHEM-6375715799 [0,0,0,1,0,1|2,0,0]=4 146 B14R2.256 Cc1ncc(s1)c2ccccc2O AIFCHEM-6447162885 [0,0,0,1,0,1|1,1,0]=4 147 B14R2.256 Cc1nnc(o1)c2ccccc2O AIFCHEM-94583463691 [0,0,0,1,0,1|2,0,0]=4 148 B10R1.18 CC(=Cc1ccccc1)C AIFCHEM-6323250098 [1,0,0,0,1,0|2,0,0]=4 149 B14R1.159 O=C(O)CCNCc1ccccc1O AIFCHEM-94532456069 [0,0,0,0,0,2|0,0,2]=4