0 B13R1.575 CCCNc1ccc(c(c1)OC)Br AIFCHEM-94569014546 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.575 CCNCc1ccc(c(c1)OC)O AIFCHEM-94537413052 [0,0,0,0,0,0|2,0,1]=3 2 B13R1.575 CNc1cc(cnc1N)C=CCO AIFCHEM-6324304721 [0,0,0,0,0,0|3,0,0]=3 3 B13R1.575 Cc1ncc(cc1C#N)C=CCO AIFCHEM-6334497561 [0,0,0,0,0,0|4,0,0]=4 4 B13R1.575 NCc1cc(ccc1O)C=CCO AIFCHEM-5612367522 [0,0,0,0,0,0|2,0,0]=2 5 B13R1.575 NCc1cc(cnc1N)C=CCO AIFCHEM-94536795462 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.286 CC=Cc1ccc(c(c1)CN)O AIFCHEM-5660679463 [1,0,0,0,0,0|2,0,0]=3 7 B12R1.286 CC=Cc1ccc(c(c1)CO)N AIFCHEM-6472298569 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.286 CC=Cc1ccc(c(c1)NC)F AIFCHEM-5843997786 [1,0,0,0,0,0|2,0,0]=3 9 B12R1.286 CC=Cc1ccc(c(c1)NC)N AIFCHEM-6363724941 [1,0,0,0,0,0|2,0,0]=3 10 B12R1.286 CC=Cc1ccc(c(c1)OC)O AIFCHEM-6360952734 [1,0,0,0,0,0|0,0,0]=1 11 B12R1.286 CC=Cc1ccc(c(n1)OC)O AIFCHEM-6323484763 [1,0,0,0,0,0|1,0,0]=2 12 B12R1.286 CC=Cc1cnc(c(c1)OC)N AIFCHEM-5724752859 [1,0,0,0,0,0|2,0,0]=3 13 B12R1.286 CCNc1ccc(c(c1)OC)Br AIFCHEM-94537417463 [1,0,0,0,0,0|2,0,1]=4 14 B12R1.286 CCNc1ccc(c(c1)OC)F AIFCHEM-94537418734 [1,0,0,0,0,0|2,0,1]=4 15 B12R1.286 CCNc1ccc(c(c1)OC)O AIFCHEM-94537422385 [1,0,0,0,0,0|1,0,1]=3 16 B12R1.382 CCc1cc(ccn1)C=CCO AIFCHEM-6361186689 [1,0,0,0,0,0|2,0,0]=3 17 B12R1.382 CNc1cncc(c1)C=CCO AIFCHEM-5785655795 [1,0,0,0,0,0|2,0,0]=3 18 B12R1.382 CSc1cncc(c1)C=CCO AIFCHEM-6346032677 [1,0,0,0,0,0|1,1,0]=3 19 B12R1.382 N#Cc1cccc(c1)C=CCO AIFCHEM-6289569821 [1,0,0,0,0,0|2,0,0]=3 20 B12R1.382 NCc1ccnc(c1)C=CCO AIFCHEM-6341651908 [1,0,0,0,0,0|3,0,0]=4 21 B12R1.382 NCc1cncc(c1)C=CCO AIFCHEM-5736302359 [1,0,0,0,0,0|3,0,0]=4 22 B12R1.382 O=Cc1ccnc(c1)C=CCO AIFCHEM-6474034713 [1,0,0,0,0,0|3,0,0]=4 23 B12R1.385 CCNCc1ccc(c(c1)O)O AIFCHEM-94537416373 [1,0,0,0,0,0|2,0,1]=4 24 B12R1.385 Cc1c[nH]c(cc1=O)C=CCO AIFCHEM-6461087163 [1,0,0,0,0,0|2,0,1]=4 25 B12R1.385 Cc1nc(cnc1O)C=CCO AIFCHEM-6318177238 [1,0,0,0,0,0|2,0,0]=3 26 B12R1.385 Cc1nc(ncc1F)C=CCO AIFCHEM-6404032813 [1,0,0,0,0,0|3,0,0]=4 27 B12R1.385 Cc1ncc(cc1O)C=CCO AIFCHEM-6327346363 [1,0,0,0,0,0|2,0,0]=3 28 B12R1.385 Cc1ncc(nc1C)C=CCO AIFCHEM-6421672074 [1,0,0,0,0,0|3,0,0]=4 29 B12R1.385 Cn1cc(cnc1=O)C=CCO AIFCHEM-6326372384 [1,0,0,0,0,0|2,0,1]=4 30 B12R1.385 Nc1cc(ccc1F)C=CCO AIFCHEM-6156626666 [1,0,0,0,0,0|2,0,0]=3 31 B12R1.385 Nc1ccc([nH]c1=O)C=CCO AIFCHEM-6372935109 [1,0,0,0,0,0|2,0,1]=4 32 B12R1.385 Nc1nc(ccc1F)C=CCO AIFCHEM-6295306436 [1,0,0,0,0,0|3,0,0]=4 33 B12R1.385 Nc1nc(ccc1O)C=CCO AIFCHEM-6382326426 [1,0,0,0,0,0|2,0,0]=3 34 B12R1.385 OCC=Cc1ccc(c(c1)F)O AIFCHEM-6209350294 [1,0,0,0,0,0|1,0,0]=2 35 B12R1.385 OCC=Cc1ccc(c(c1)O)O AIFCHEM-6413125974 [1,0,0,0,0,0|0,0,0]=1 36 B14R1.42 CC(O)C=Cc1ccc(c(c1)C#N)O AIFCHEM-6359704076 [0,1,0,0,0,0|2,0,0]=3 37 B14R1.42 CC(O)C=Cc1ccc(c(c1)CN)O AIFCHEM-5641015266 [0,1,0,0,0,0|2,0,0]=3 38 B14R1.42 CCc1cc(ccc1F)C=CC(C)O AIFCHEM-6368065433 [0,1,0,0,0,0|2,0,0]=3 39 B14R1.42 CCc1cc(ccc1O)C=CC(C)O AIFCHEM-6309383863 [0,1,0,0,0,0|1,0,0]=2 40 B14R1.42 COc1cc(ccc1C)C=CC(C)O AIFCHEM-6357993115 [0,1,0,0,0,0|1,0,0]=2 41 B14R1.791 N#CCc1cc(ccc1F)C=CCO AIFCHEM-6478546942 [0,1,0,0,0,0|2,0,1]=4 42 B14R1.793 CCCNc1ccc(c(c1)OC)OC AIFCHEM-94569020898 [0,1,0,0,0,0|2,0,1]=4 43 B14R1.793 COc1ccc(nc1OC)C=CCO AIFCHEM-6426301820 [0,1,0,0,0,0|1,0,0]=2 44 B14R1.793 COc1nc(ccc1C=O)C=CCO AIFCHEM-6455446316 [0,1,0,0,0,0|1,0,1]=3 45 B14R1.793 COc1nc(ccc1CO)C=CCO AIFCHEM-6291919082 [0,1,0,0,0,0|1,0,0]=2 46 B14R1.793 COc1ncc(cc1CO)C=CCO AIFCHEM-6411428913 [0,1,0,0,0,0|3,0,0]=4 47 B14R1.793 COc1ncc(nc1OC)C=CCO AIFCHEM-6353328875 [0,1,0,0,0,0|2,0,0]=3 48 B14R1.793 N#Cc1ccc(cc1C#N)C=CCO AIFCHEM-6412697338 [0,1,0,0,0,0|3,0,0]=4 49 B14R1.794 CC(C)c1cc(ccc1N)C=CCO AIFCHEM-6249876988 [0,1,0,0,0,0|2,0,0]=3 50 B14R1.794 CC(C)n1cc(ccc1=O)C=CCO AIFCHEM-6459453356 [0,1,0,0,0,0|2,0,1]=4 51 B14R1.907 CCCC=Cc1ccc(c(c1)CN)O AIFCHEM-5612330712 [0,1,0,0,0,0|3,0,0]=4 52 B14R1.907 CCCC=Cc1ccc(c(c1)CO)O AIFCHEM-6475758972 [0,1,0,0,0,0|3,0,0]=4 53 B14R1.907 CCCC=Cc1ccc(c(c1)NC)N AIFCHEM-6312860344 [0,1,0,0,0,0|3,0,0]=4 54 B14R1.907 CCCC=Cc1ccc(c(c1)OC)N AIFCHEM-5742709271 [0,1,0,0,0,0|2,0,0]=3 55 B14R1.907 CCCC=Cc1ccc(c(c1)OC)O AIFCHEM-6395533732 [0,1,0,0,0,0|1,0,0]=2 56 B14R1.907 CCCC=Cc1ccc(c(n1)OC)N AIFCHEM-6356694385 [0,1,0,0,0,0|3,0,0]=4 57 B14R1.907 CCCC=Cc1cnc(c(c1)OC)N AIFCHEM-5698624910 [0,1,0,0,0,0|3,0,0]=4 58 B14R1.907 CCOC=Cc1ccc(c(c1)C=O)O AIFCHEM-94580717443 [0,1,0,0,0,0|3,0,0]=4 59 B14R1.907 CCOC=Cc1ccc(c(c1)CC)F AIFCHEM-6383827998 [0,1,0,0,0,0|3,0,0]=4 60 B14R1.907 CCOC=Cc1ccc(c(c1)CN)O AIFCHEM-94580717632 [0,1,0,0,0,0|3,0,0]=4 61 B14R1.907 COCC=Cc1ccc(c(c1)C#N)C AIFCHEM-6406131875 [0,1,0,0,0,0|3,0,0]=4 62 B14R1.907 COCC=Cc1ccc(c(c1)C#N)F AIFCHEM-6375184883 [0,1,0,0,0,0|3,0,0]=4 63 B14R1.907 COCC=Cc1ccc(c(c1)C#N)O AIFCHEM-6438905428 [0,1,0,0,0,0|2,0,0]=3 64 B14R1.907 COCC=Cc1ccc(c(c1)CN)F AIFCHEM-94543094971 [0,1,0,0,0,0|3,0,0]=4 65 B14R1.907 COCC=Cc1ccc(c(c1)CN)O AIFCHEM-5619058527 [0,1,0,0,0,0|2,0,0]=3 66 B14R1.907 COCC=Cc1ccc(c(c1)CO)C AIFCHEM-6368675998 [0,1,0,0,0,0|3,0,0]=4 67 B14R1.907 COCC=Cc1ccc(c(c1)CO)N AIFCHEM-6352793155 [0,1,0,0,0,0|3,0,0]=4 68 B14R1.907 COCC=Cc1cnc(c(n1)OC)N AIFCHEM-6225435247 [0,1,0,0,0,0|3,0,0]=4 69 B14R1.907 COc1cc(ccc1Br)CNCCO AIFCHEM-94577778972 [0,1,0,0,0,0|1,0,2]=4 70 B14R1.1362 N#Cc1c(ccc(c1F)C=CCO)F AIFCHEM-6345694121 [0,1,0,0,0,0|3,0,0]=4 71 B14R1.3405 COc1cc(ccc1O)NC(=O)CO AIFCHEM-94532683252 [0,1,0,0,0,0|1,0,0]=2 72 B14R1.3405 N#Cc1cc(ccc1O)NC(=O)CO AIFCHEM-94532686336 [0,1,0,0,0,0|3,0,0]=4 73 B14R1.4435 COc1cc(c(nc1N)C)C=CCO AIFCHEM-6250961741 [0,1,0,0,0,0|2,0,0]=3 74 B14R1.4435 N#Cc1cc(c(cc1F)O)C=CCO AIFCHEM-6253741699 [0,1,0,0,0,0|3,0,0]=4 75 B14R1.7499 COc1cc(cc(c1O)O)C=CCO AIFCHEM-6194267857 [0,1,0,0,0,0|0,0,0]=1 76 B14R1.7499 Cc1cc(cc(c1F)C#N)C=CCO AIFCHEM-6409388756 [0,1,0,0,0,0|3,0,0]=4 77 B14R1.7499 Cc1cc(cc(c1O)C#N)C=CCO AIFCHEM-6343631633 [0,1,0,0,0,0|2,0,0]=3 78 B14R2.991 CCCNc1ccc2c(c1)OCO2 AIFCHEM-94559635856 [0,0,0,1,0,0|2,0,1]=4 79 B14R2.991 CCNCc1ccc2c(c1)OCO2 AIFCHEM-94537419381 [0,0,0,1,0,0|2,0,1]=4 80 B14R2.991 OCC=Cc1ccc2[nH]ccc2c1 AIFCHEM-6485430057 [0,0,0,1,0,0|2,0,1]=4 81 B14R2.991 OCC=Cc1ccc2c(c1)COC2 AIFCHEM-6315505975 [0,0,0,1,0,0|3,0,0]=4 82 B14R2.991 OCC=Cc1ccc2c(c1)OCC2 AIFCHEM-6322511760 [0,0,0,1,0,0|1,0,0]=2 83 B14R2.991 OCC=Cc1ccc2c(n1)CCN2 AIFCHEM-5782094298 [0,0,0,1,0,0|3,0,0]=4 84 B14R2.991 OCC=Cc1ccc2ccsc2c1 AIFCHEM-6404294905 [0,0,0,1,0,0|1,1,1]=4 85 B14R2.991 OCC=Cc1ccc2cnoc2c1 AIFCHEM-6453131473 [0,0,0,1,0,0|2,0,0]=3 86 B14R2.991 OCC=Cc1ccc2ncoc2c1 AIFCHEM-6376462776 [0,0,0,1,0,0|1,0,1]=3 87 B14R2.991 OCC=Cc1ccc2nonc2c1 AIFCHEM-6354294858 [0,0,0,1,0,0|3,0,0]=4 88 B14R2.991 OCC=Cc1ccc2nsnc2c1 AIFCHEM-6221361617 [0,0,0,1,0,0|3,0,0]=4 89 B14R2.991 OCC=Cc1cnc2c(c1)NCC2 AIFCHEM-6042270655 [0,0,0,1,0,0|3,0,0]=4 90 B11R1.189 CC=Cc1cccc(c1)C=O AIFCHEM-6307889102 [2,0,0,0,0,0|2,0,0]=4 91 B11R1.189 CC=Cc1cccc(c1)CO AIFCHEM-6418881109 [2,0,0,0,0,0|2,0,0]=4 92 B11R1.189 CC=Cc1cccc(n1)SC AIFCHEM-6372619487 [2,0,0,0,0,0|1,1,0]=4 93 B11R1.189 CC=Cc1ccnc(c1)OC AIFCHEM-6344092018 [2,0,0,0,0,0|1,0,0]=3 94 B11R1.189 CCNc1cccc(c1)OC AIFCHEM-94573851857 [2,0,0,0,0,0|1,0,1]=4 95 B11R1.192 CC=Cc1cc(c(cn1)C)C AIFCHEM-6428991009 [2,0,0,0,0,0|2,0,0]=4 96 B11R1.192 CC=Cc1cc(c(cn1)N)C AIFCHEM-6384769933 [2,0,0,0,0,0|2,0,0]=4 97 B11R1.192 CC=Cc1cc(c(cn1)O)N AIFCHEM-6387440914 [2,0,0,0,0,0|2,0,0]=4 98 B11R1.192 CC=Cc1ccc(c(c1)C)C AIFCHEM-94530432251 [2,0,0,0,0,0|1,0,0]=3 99 B11R1.192 CC=Cc1ccc(c(c1)N)C AIFCHEM-5799362878 [2,0,0,0,0,0|2,0,0]=4 100 B11R1.192 CC=Cc1ccc(c(c1)N)N AIFCHEM-6377944982 [2,0,0,0,0,0|2,0,0]=4 101 B11R1.192 CC=Cc1ccc(c(c1)O)O AIFCHEM-6368218750 [2,0,0,0,0,0|0,0,0]=2 102 B11R1.192 CC=Cc1cnc(c(c1)C)C AIFCHEM-6339539947 [2,0,0,0,0,0|2,0,0]=4 103 B11R1.192 CCNc1ccc(c(c1)O)O AIFCHEM-94537416152 [2,0,0,0,0,0|1,0,1]=4 104 B11R1.24 Cc1cc(ccn1)C=CCO AIFCHEM-6288997802 [2,0,0,0,0,0|1,0,0]=3 105 B11R1.24 Cc1cccc(c1)C=CCO AIFCHEM-6381275994 [2,0,0,0,0,0|0,0,0]=2 106 B11R1.24 Cc1cccc(n1)C=CCO AIFCHEM-6310808161 [2,0,0,0,0,0|1,0,0]=3 107 B11R1.24 Cc1ccnc(c1)C=CCO AIFCHEM-6260228726 [2,0,0,0,0,0|1,0,0]=3 108 B11R1.24 Nc1cccc(n1)C=CCO AIFCHEM-6434654348 [2,0,0,0,0,0|2,0,0]=4 109 B11R1.24 OCC=Cc1cccc(c1)O AIFCHEM-6420389960 [2,0,0,0,0,0|0,0,0]=2 110 B11R1.24 OCC=Cc1cncc(c1)O AIFCHEM-6406081445 [2,0,0,0,0,0|1,0,0]=3 111 B11R1.1 Cc1ccc(cc1)C=CCO AIFCHEM-6341313267 [2,0,0,0,0,0|1,0,0]=3 112 B11R1.1 Nc1ccc(nc1)C=CCO AIFCHEM-6290912965 [2,0,0,0,0,0|2,0,0]=4 113 B11R1.1 OCC=Cc1ccc(cc1)F AIFCHEM-6361757288 [2,0,0,0,0,0|1,0,0]=3 114 B11R1.1 OCC=Cc1cnc(cn1)O AIFCHEM-6376252210 [2,0,0,0,0,0|2,0,0]=4 115 B13R1.49 C/C=C(\C)/c1ccc(c(c1)CC)F AIFCHEM-94584220477 [1,1,0,0,0,0|2,0,0]=4 116 B13R1.49 C/C=C(\C)/c1ccc(c(c1)CC)N AIFCHEM-94584217042 [1,1,0,0,0,0|2,0,0]=4 117 B13R1.49 C/C=C(\C)/c1ccc(c(c1)CN)O AIFCHEM-94584214566 [1,1,0,0,0,0|2,0,0]=4 118 B13R1.49 C/C=C(\C)/c1ccc(c(c1)NC)F AIFCHEM-94584210144 [1,1,0,0,0,0|2,0,0]=4 119 B13R1.49 C/C=C(\C)/c1ccc(c(c1)OC)O AIFCHEM-94584221496 [1,1,0,0,0,0|0,0,0]=2 120 B13R1.52 CC(=Cc1ccc(c(c1)C=O)O)C AIFCHEM-6312947168 [1,1,0,0,0,0|2,0,0]=4 121 B13R1.52 CC(=Cc1ccc(c(c1)CN)O)C AIFCHEM-5659313066 [1,1,0,0,0,0|2,0,0]=4 122 B13R1.52 COc1cc(ccc1Br)NC(=O)C AIFCHEM-6215120655 [1,1,0,0,0,0|2,0,0]=4 123 B13R1.52 COc1cc(ccc1N)C=C(C)C AIFCHEM-5750864117 [1,1,0,0,0,0|1,0,0]=3 124 B13R1.384 CC=Cc1ccc(c(c1)CNC)O AIFCHEM-6005260118 [1,1,0,0,0,0|1,0,0]=3 125 B13R1.384 CC=Cc1ccc(c(c1)COC)F AIFCHEM-6349853715 [1,1,0,0,0,0|1,0,0]=3 126 B13R1.386 CC=Cc1ccc(c(c1)C#N)OC AIFCHEM-6357181624 [1,1,0,0,0,0|2,0,0]=4 127 B13R1.386 CC=Cc1ccc(c(c1)CO)OC AIFCHEM-6257205066 [1,1,0,0,0,0|2,0,0]=4 128 B13R1.386 CC=Cc1ccc(c(c1)OC)C=O AIFCHEM-6295872623 [1,1,0,0,0,0|0,0,1]=3 129 B13R1.386 CC=Cc1ccc(c(c1)OC)CN AIFCHEM-6266350440 [1,1,0,0,0,0|1,0,0]=3 130 B13R1.386 CC=Cc1cnc(c(n1)OC)OC AIFCHEM-6378685638 [1,1,0,0,0,0|2,0,0]=4 131 B13R1.386 CCNc1ccc(c(c1)OC)OC AIFCHEM-94569350064 [1,1,0,0,0,0|1,0,1]=4 132 B13R1.387 CC=Cc1ccc(c(c1)C(C)C)O AIFCHEM-6369487315 [1,1,0,0,0,0|1,0,0]=3 133 B13R1.1255 CC=Cc1ccc(c(c1F)OC)F AIFCHEM-6382308871 [1,1,0,0,0,0|1,0,0]=3 134 B13R1.1255 CC=Cc1ccc(c(c1F)OC)N AIFCHEM-5954296744 [1,1,0,0,0,0|1,0,0]=3 135 B13R1.2900 CC=Cc1cc(c(cc1F)N)OC AIFCHEM-6076013335 [1,1,0,0,0,0|1,0,0]=3 136 B13R1.2900 CC=Cc1cc(c(nc1C)N)OC AIFCHEM-6224843956 [1,1,0,0,0,0|2,0,0]=4 137 B13R1.4030 CC=Cc1cc(c(c(c1)OC)N)C AIFCHEM-6188510077 [1,1,0,0,0,0|1,0,0]=3 138 B13R1.4030 CC=Cc1cc(c(c(c1)OC)O)O AIFCHEM-6193764374 [1,1,0,0,0,0|0,0,0]=2 139 B13R1.81 CCC(=O)Nc1cccc(c1)OC AIFCHEM-94526505747 [1,1,0,0,0,0|2,0,0]=4 140 B13R1.81 CCc1cccc(c1)NC(=O)CO AIFCHEM-94532683929 [1,1,0,0,0,0|2,0,0]=4 141 B13R1.81 CSc1cccc(c1)NC(=O)CO AIFCHEM-94580164653 [1,1,0,0,0,0|1,1,0]=4 142 B13R1.124 CCc1cc(cc(c1)C=CCO)N AIFCHEM-6153756906 [1,1,0,0,0,0|1,0,0]=3 143 B13R1.124 COc1cc(cc(c1)C=CCO)C AIFCHEM-6470302096 [1,1,0,0,0,0|0,0,0]=2 144 B13R1.124 COc1cc(cc(c1)C=CCO)N AIFCHEM-6172452366 [1,1,0,0,0,0|0,0,0]=2 145 B13R1.124 N#Cc1cc(cc(c1)C=CCO)O AIFCHEM-6189415721 [1,1,0,0,0,0|2,0,0]=4 146 B13R1.124 NCc1cc(cc(c1)C=CCO)F AIFCHEM-5878822691 [1,1,0,0,0,0|2,0,0]=4 147 B13R1.124 OCC=Cc1cc(cc(c1)CO)F AIFCHEM-6204132109 [1,1,0,0,0,0|2,0,0]=4 148 B13R1.558 COc1cc(c(cn1)C)C=CCO AIFCHEM-6405971532 [1,1,0,0,0,0|1,0,0]=3 149 B13R1.558 COc1ccc(c(c1)C=CCO)N AIFCHEM-5705471852 [1,1,0,0,0,0|0,0,0]=2 150 B13R1.558 Cc1ccc(cc1C=CCO)C#N AIFCHEM-6340519650 [1,1,0,0,0,0|2,0,0]=4 151 B13R1.558 Cc1ccc(cc1C=CCO)CN AIFCHEM-6004459555 [1,1,0,0,0,0|2,0,0]=4 152 B13R1.558 NCc1ccc(c(c1)C=CCO)F AIFCHEM-94551020804 [1,1,0,0,0,0|2,0,0]=4 153 B13R1.567 CCOc1cc(ccn1)C=CCO AIFCHEM-6287618895 [1,1,0,0,0,0|1,0,0]=3 154 B13R1.567 CCOc1cncc(c1)C=CCO AIFCHEM-6303034502 [1,1,0,0,0,0|1,0,0]=3 155 B13R1.567 CNCc1cccc(c1)C=CCO AIFCHEM-6003014261 [1,1,0,0,0,0|1,0,0]=3 156 B13R1.567 COCc1cccc(c1)C=CCO AIFCHEM-6442413770 [1,1,0,0,0,0|0,0,0]=2 157 B13R1.567 OCC=Cc1cccc(c1)CCO AIFCHEM-6356947789 [1,1,0,0,0,0|1,0,0]=3 158 B13R1.568 CC(C)c1cccc(n1)C=CCO AIFCHEM-6313787005 [1,1,0,0,0,0|2,0,0]=4 159 B13R1.569 Cc1c(cccc1C=CCO)C#N AIFCHEM-6324376421 [1,1,0,0,0,0|2,0,0]=4 160 B13R1.569 NCc1cccc(c1O)C=CCO AIFCHEM-6255656032 [1,1,0,0,0,0|2,0,0]=4 161 B13R1.643 CC(O)C=Cc1cccc(c1)C=O AIFCHEM-6375347422 [1,1,0,0,0,0|2,0,0]=4 162 B13R1.643 CC(O)C=Cc1cccc(c1)CN AIFCHEM-6203376330 [1,1,0,0,0,0|2,0,0]=4 163 B13R1.643 CCc1cc(ccn1)C=CC(C)O AIFCHEM-6344240288 [1,1,0,0,0,0|2,0,0]=4 164 B13R1.643 CNc1cccc(c1)C=CC(C)O AIFCHEM-94597171854 [1,1,0,0,0,0|1,0,0]=3 165 B13R1.643 COc1cc(ncn1)C=CC(C)O AIFCHEM-6388913441 [1,1,0,0,0,0|2,0,0]=4 166 B13R1.643 CSc1cncc(c1)C=CC(C)O AIFCHEM-6343701594 [1,1,0,0,0,0|1,1,0]=4 167 B13R1.666 CCOC=Cc1cccc(n1)OC AIFCHEM-6329840169 [1,1,0,0,0,0|2,0,0]=4 168 B13R1.666 CCOC=Cc1cncc(c1)OC AIFCHEM-94580722161 [1,1,0,0,0,0|2,0,0]=4 169 B13R1.666 CCc1cncc(c1)C=CCOC AIFCHEM-6472298847 [1,1,0,0,0,0|2,0,0]=4 170 B13R1.666 CNc1cccc(c1)C=CCOC AIFCHEM-94597172921 [1,1,0,0,0,0|1,0,0]=3 171 B13R1.666 COCC=Cc1cccc(c1)C=O AIFCHEM-6398153872 [1,1,0,0,0,0|2,0,0]=4 172 B13R1.666 COCC=Cc1cccc(c1)SC AIFCHEM-6413662926 [1,1,0,0,0,0|0,1,0]=3 173 B13R1.666 COc1cccc(c1)CNCCO AIFCHEM-94577779790 [1,1,0,0,0,0|0,0,2]=4 174 B13R1.136 Cc1cc(cc(c1F)N)C=CCO AIFCHEM-5952981468 [1,1,0,0,0,0|1,0,0]=3 175 B13R1.136 Cc1cc(cc(c1F)O)C=CCO AIFCHEM-94526550557 [1,1,0,0,0,0|1,0,0]=3 176 B13R1.136 Cc1cc(cc(c1O)F)C=CCO AIFCHEM-6376171919 [1,1,0,0,0,0|0,0,0]=2 177 B13R1.136 Cc1cc(cn(c1=O)C)C=CCO AIFCHEM-6474115484 [1,1,0,0,0,0|1,0,1]=4 178 B13R1.136 OCC=Cc1cc(c(c(c1)F)O)O AIFCHEM-6309340370 [1,1,0,0,0,0|0,0,0]=2 179 B13R1.136 OCC=Cc1cc(c(c(c1)O)O)O AIFCHEM-6387555873 [1,1,0,0,0,0|0,0,0]=2 180 B13R1.511 CC(O)C=Cc1cc(c(cn1)F)O AIFCHEM-6444850057 [1,1,0,0,0,0|2,0,0]=4 181 B13R1.511 CC(O)C=Cc1cc(c(cn1)O)N AIFCHEM-6482714883 [1,1,0,0,0,0|2,0,0]=4 182 B13R1.511 CC(O)C=Cc1ccc(c(c1)F)F AIFCHEM-6331848800 [1,1,0,0,0,0|2,0,0]=4 183 B13R1.511 CC(O)C=Cc1ccc(c(c1)F)N AIFCHEM-94536058595 [1,1,0,0,0,0|2,0,0]=4 184 B13R1.511 CC(O)C=Cc1ccc(c(c1)F)O AIFCHEM-6274210590 [1,1,0,0,0,0|1,0,0]=3 185 B13R1.511 CC(O)C=Cc1ccc(c(c1)O)O AIFCHEM-6368210826 [1,1,0,0,0,0|0,0,0]=2 186 B13R1.511 CC(O)C=Cc1cnc(c(c1)O)N AIFCHEM-6212344190 [1,1,0,0,0,0|2,0,0]=4 187 B13R1.511 Cc1ccc(cc1O)C=CC(C)O AIFCHEM-6353214399 [1,1,0,0,0,0|1,0,0]=3 188 B13R1.511 Cc1nc(cnc1O)C=CC(C)O AIFCHEM-6357668214 [1,1,0,0,0,0|2,0,0]=4 189 B13R1.577 CNc1ccc(cc1F)C=CCO AIFCHEM-5782011411 [1,1,0,0,0,0|2,0,0]=4 190 B13R1.577 CNc1ccc(cc1N)C=CCO AIFCHEM-6354636532 [1,1,0,0,0,0|2,0,0]=4 191 B13R1.577 COc1ccc(cc1C)C=CCO AIFCHEM-6299143739 [1,1,0,0,0,0|0,0,0]=2 192 B13R1.577 COc1ccc(nc1C)C=CCO AIFCHEM-6442335950 [1,1,0,0,0,0|1,0,0]=3 193 B13R1.577 COc1ncc(cc1C)C=CCO AIFCHEM-6372536874 [1,1,0,0,0,0|1,0,0]=3 194 B13R1.577 COc1ncc(cc1N)C=CCO AIFCHEM-6022451627 [1,1,0,0,0,0|2,0,0]=4 195 B13R1.577 CSc1ccc(cc1F)C=CCO AIFCHEM-6462485112 [1,1,0,0,0,0|1,1,0]=4 196 B13R1.577 Cc1cc(ncc1C#N)C=CCO AIFCHEM-6449762158 [1,1,0,0,0,0|2,0,0]=4 197 B13R1.577 Cc1nc(ccc1C#N)C=CCO AIFCHEM-6397370386 [1,1,0,0,0,0|2,0,0]=4 198 B13R1.577 N#Cc1ccc(cc1N)C=CCO AIFCHEM-5675992654 [1,1,0,0,0,0|2,0,0]=4 199 B13R1.577 N#Cc1ccc(cc1O)C=CCO AIFCHEM-6297453436 [1,1,0,0,0,0|1,0,0]=3 200 B13R1.577 NCc1ccc(cc1O)C=CCO AIFCHEM-94527572798 [1,1,0,0,0,0|1,0,0]=3 201 B13R1.577 OCC=Cc1ccc(c(c1)F)CO AIFCHEM-6347794962 [1,1,0,0,0,0|1,0,0]=3 202 B13R1.669 CCCC=Cc1ccc(c(c1)C)F AIFCHEM-6350801331 [1,1,0,0,0,0|2,0,0]=4 203 B13R1.669 CCCC=Cc1ccc(c(c1)F)O AIFCHEM-6303851609 [1,1,0,0,0,0|2,0,0]=4 204 B13R1.669 CCCC=Cc1ccc(c(c1)O)O AIFCHEM-6423574076 [1,1,0,0,0,0|1,0,0]=3 205 B13R1.669 CCOC=Cc1ccc(c(c1)C)C AIFCHEM-94530431227 [1,1,0,0,0,0|2,0,0]=4 206 B13R1.669 CCOC=Cc1ccc(c(c1)O)O AIFCHEM-6398564245 [1,1,0,0,0,0|1,0,0]=3 207 B13R1.669 CCOC=Cc1cnc(c(c1)O)O AIFCHEM-6409971287 [1,1,0,0,0,0|2,0,0]=4 208 B13R1.669 COCC=Cc1ccc(c(c1)F)F AIFCHEM-6306533078 [1,1,0,0,0,0|2,0,0]=4 209 B13R1.669 COCC=Cc1ccc(c(c1)O)O AIFCHEM-6368050024 [1,1,0,0,0,0|0,0,0]=2 210 B13R1.669 COCC=Cc1ccc(c(n1)C)F AIFCHEM-6307847343 [1,1,0,0,0,0|2,0,0]=4 211 B13R1.669 COCC=Cc1cnc(c(c1)C)C AIFCHEM-6296245858 [1,1,0,0,0,0|2,0,0]=4 212 B13R1.669 COCC=Cc1cnc(c(c1)O)C AIFCHEM-6326631737 [1,1,0,0,0,0|2,0,0]=4 213 B13R1.669 Cc1cc(ccc1O)CNCCO AIFCHEM-94577776631 [1,1,0,0,0,0|0,0,2]=4 214 B13R1.669 OCCNCc1ccc(c(c1)O)O AIFCHEM-94577776353 [1,1,0,0,0,0|0,0,2]=4 215 B13R1.1630 Cc1cc(c(cc1C)C=CCO)O AIFCHEM-6349590028 [1,1,0,0,0,0|1,0,0]=3 216 B13R1.1630 Cc1cc(c(cc1C=CCO)N)F AIFCHEM-5628774111 [1,1,0,0,0,0|2,0,0]=4 217 B13R1.1630 Cc1cc(c(cc1F)C=CCO)N AIFCHEM-6183240965 [1,1,0,0,0,0|2,0,0]=4 218 B13R1.1630 Cc1cc(c(nc1C)N)C=CCO AIFCHEM-6138138291 [1,1,0,0,0,0|2,0,0]=4 219 B13R1.1630 Nc1cc(c(cc1O)F)C=CCO AIFCHEM-6129469508 [1,1,0,0,0,0|1,0,0]=3 220 B13R1.1630 OCC=Cc1cc(c(cc1O)F)F AIFCHEM-6372552289 [1,1,0,0,0,0|2,0,0]=4 221 B13R1.2879 CCC(=O)Nc1ccc(c(c1)O)O AIFCHEM-94526502977 [1,1,0,0,0,0|2,0,0]=4 222 B13R1.2879 Cc1cc(ccc1Br)NC(=O)CO AIFCHEM-94532679652 [1,1,0,0,0,0|2,0,0]=4 223 B13R1.2879 Cc1cc(ccc1Cl)NC(=O)CO AIFCHEM-94532685108 [1,1,0,0,0,0|2,0,0]=4 224 B13R1.2879 O=C(CO)Nc1ccc(c(c1)O)F AIFCHEM-94532674100 [1,1,0,0,0,0|2,0,0]=4 225 B13R1.2879 O=C(CO)Nc1ccc(c(c1)O)O AIFCHEM-94532678182 [1,1,0,0,0,0|1,0,0]=3 226 B13R1.3518 Cc1c(ccc(c1C)C=CCO)N AIFCHEM-5749568552 [1,1,0,0,0,0|1,0,0]=3 227 B13R1.3518 Cc1c(ccc(c1O)C=CCO)F AIFCHEM-6323011219 [1,1,0,0,0,0|1,0,0]=3 228 B13R1.3518 Cc1c(cnc(c1C)N)C=CCO AIFCHEM-5896522103 [1,1,0,0,0,0|2,0,0]=4 229 B13R1.3518 Cc1ccc(c(c1N)C)C=CCO AIFCHEM-5647429494 [1,1,0,0,0,0|2,0,0]=4 230 B13R1.3518 Nc1c(ccc(c1F)C=CCO)F AIFCHEM-6122023696 [1,1,0,0,0,0|2,0,0]=4 231 B13R1.3518 Nc1c(ccc(c1F)F)C=CCO AIFCHEM-6095498138 [1,1,0,0,0,0|2,0,0]=4 232 B13R1.3518 Nc1c(ccc(c1N)C=CCO)F AIFCHEM-6324056872 [1,1,0,0,0,0|2,0,0]=4 233 B15R1.392 COc1cc(cc(c1O)O)C=CC(C)O AIFCHEM-6256676919 [0,2,0,0,0,0|0,0,0]=2 234 B15R1.531 CNCc1cc(ccc1O)C=CC(C)O AIFCHEM-6033711044 [0,2,0,0,0,0|1,0,0]=3 235 B15R1.873 CC(O)C=Cc1ccc(c(c1)C(C)C)F AIFCHEM-6398608745 [0,2,0,0,0,0|2,0,0]=4 236 B15R1.1803 COc1cc(c(nc1N)C)C=CC(C)O AIFCHEM-6250898883 [0,2,0,0,0,0|2,0,0]=4 237 B15R1.4027 CC(C)(O)C=Cc1ccc(c(c1)CN)O AIFCHEM-5612077404 [0,2,0,0,0,0|2,0,0]=4 238 B15R1.4027 CCc1cc(ccc1O)C=CC(C)(C)O AIFCHEM-6310081527 [0,2,0,0,0,0|1,0,0]=3 239 B15R1.4027 CNc1cc(ccc1F)C=CC(C)(C)O AIFCHEM-5821131679 [0,2,0,0,0,0|2,0,0]=4 240 B15R1.4027 CNc1cc(ccc1N)C=CC(C)(C)O AIFCHEM-6364059885 [0,2,0,0,0,0|2,0,0]=4 241 B15R1.4027 COc1cc(cnc1N)C=CC(C)(C)O AIFCHEM-5697423619 [0,2,0,0,0,0|2,0,0]=4 242 B15R1.4038 COc1cc(ccc1Br)NC(=O)C(C)O AIFCHEM-94571303295 [0,2,0,0,0,0|2,0,0]=4 243 B15R1.4038 COc1cc(ccc1F)NC(=O)C(C)O AIFCHEM-94571304326 [0,2,0,0,0,0|2,0,0]=4 244 B15R1.4038 COc1cc(ccc1F)NC(=O)[C@@H](C)O AIFCHEM-94569321452 [0,2,0,0,0,0|2,0,0]=4 245 B15R1.4038 COc1cc(ccc1F)NC(=O)[C@H](C)O AIFCHEM-94569329476 [0,2,0,0,0,0|2,0,0]=4 246 B15R1.4039 COc1cc(ccc1O)CNC(C)CO AIFCHEM-6176106881 [0,2,0,0,0,0|0,0,2]=4 247 B15R1.4039 COc1cc(ccc1O)CN[C@@H](C)CO AIFCHEM-6446705265 [0,2,0,0,0,0|0,0,2]=4 248 B15R1.4039 COc1cc(ccc1O)CN[C@H](C)CO AIFCHEM-6414328870 [0,2,0,0,0,0|0,0,2]=4 249 B15R1.12854 CCc1cc(ccc1C=O)C=CC(C)O AIFCHEM-6434808126 [0,2,0,0,0,0|1,0,1]=4 250 B15R1.12854 CCc1cc(ccc1CO)C=CC(C)O AIFCHEM-6375000360 [0,2,0,0,0,0|1,0,0]=3 251 B15R1.12854 COc1cc(ccc1C=O)C=CC(C)O AIFCHEM-6295633936 [0,2,0,0,0,0|0,0,1]=3 252 B15R1.12854 COc1ccc(cc1CN)C=CC(C)O AIFCHEM-6237203522 [0,2,0,0,0,0|2,0,0]=4 253 B15R1.12854 COc1ccc(cc1OC)C=CC(C)O AIFCHEM-6300235653 [0,2,0,0,0,0|0,0,0]=2 254 B15R1.12854 COc1ccc(nc1OC)C=CC(C)O AIFCHEM-6422769404 [0,2,0,0,0,0|1,0,0]=3 255 B15R1.1243 CCCNC(=O)c1ccc(c(c1)OC)O AIFCHEM-94521373343 [0,2,0,0,0,0|1,0,1]=4 256 B15R1.1243 COc1cc(ccc1O)C(=O)NCCF AIFCHEM-5862344352 [0,2,0,0,0,0|1,0,1]=4 257 B15R1.4029 CCN(C)C(=O)c1ccc(c(c1)OC)O AIFCHEM-94563262430 [0,2,0,0,0,0|2,0,0]=4 258 B15R1.1058 CC(=O)Nc1cc(ccc1F)C=CCO AIFCHEM-94623999058 [0,2,0,0,0,0|2,0,0]=4 259 B15R1.1058 CC(=O)Nc1cc(ccc1O)C=CCO AIFCHEM-94624007420 [0,2,0,0,0,0|1,0,0]=3 260 B15R1.1058 Cc1ccc(cc1NC(C)C)C=CCO AIFCHEM-6049838131 [0,2,0,0,0,0|2,0,0]=4 261 B15R1.1058 Cc1ccc(cc1OC(C)C)C=CCO AIFCHEM-6355952392 [0,2,0,0,0,0|1,0,0]=3 262 B15R1.1058 Nc1ccc(cc1OC(F)F)C=CCO AIFCHEM-5738550557 [0,2,0,0,0,0|1,0,0]=3 263 B15R1.1193 CCCC=Cc1ccc(c(c1)CNC)O AIFCHEM-6071258527 [0,2,0,0,0,0|2,0,0]=4 264 B15R1.1193 CCCC=Cc1ccc(c(c1)OCC)C AIFCHEM-6345308487 [0,2,0,0,0,0|2,0,0]=4 265 B15R1.1193 CCOC=Cc1ccc(c(c1)CNC)O AIFCHEM-94580716753 [0,2,0,0,0,0|2,0,0]=4 266 B15R1.1193 CNCc1cc(ccc1O)C=CCOC AIFCHEM-6005305710 [0,2,0,0,0,0|1,0,0]=3 267 B15R1.9222 CC=Cc1cc(ccc1O)NC(=O)CO AIFCHEM-98308207550 [0,2,0,0,0,0|2,0,0]=4 268 B15R1.12138 CCNCc1cc(ccc1O)C=CCO AIFCHEM-6158620195 [0,2,0,0,0,0|1,0,0]=3 269 B15R1.12147 COC(=O)c1nc(ccc1C)C=CCO AIFCHEM-6485985431 [0,2,0,0,0,0|2,0,0]=4 270 B15R1.1062 CNc1cc(ccc1C(=O)O)C=CCO AIFCHEM-6169680944 [0,2,0,0,0,0|1,0,0]=3 271 B15R1.1062 COc1cc(ccc1C(=O)O)C=CCO AIFCHEM-6289109094 [0,2,0,0,0,0|0,0,0]=2 272 B15R1.1062 O=Cc1cc(ccc1C(=O)O)C=CCO AIFCHEM-6359054168 [0,2,0,0,0,0|2,0,0]=4 273 B15R1.1195 CCCC=Cc1ccc(c(c1)OC)CN AIFCHEM-6242259410 [0,2,0,0,0,0|2,0,0]=4 274 B15R1.1195 CCCC=Cc1ccc(c(c1)SC)OC AIFCHEM-6470083687 [0,2,0,0,0,0|1,1,0]=4 275 B15R1.1195 CCOC=Cc1ccc(c(c1)OC)C=O AIFCHEM-94580715807 [0,2,0,0,0,0|1,0,1]=4 276 B15R1.1195 CCOC=Cc1cnc(c(c1)OC)CO AIFCHEM-6373629556 [0,2,0,0,0,0|2,0,0]=4 277 B15R1.1195 CCc1cc(ccc1CO)C=CCOC AIFCHEM-6371833716 [0,2,0,0,0,0|1,0,0]=3 278 B15R1.1195 COCC=Cc1ccc(c(c1)OC)CN AIFCHEM-6283975968 [0,2,0,0,0,0|1,0,0]=3 279 B15R1.1195 COCC=Cc1cnc(c(c1)OC)CO AIFCHEM-6370114477 [0,2,0,0,0,0|1,0,0]=3 280 B15R1.1195 COc1ccc(cc1OC)CNCCO AIFCHEM-6481551318 [0,2,0,0,0,0|0,0,2]=4 281 B15R1.3769 COc1ccc(cc1OC)NC(C)CO AIFCHEM-94569345016 [0,2,0,0,0,0|1,0,1]=4 282 B15R1.3769 COc1ccc(nc1OC)NC(=O)CO AIFCHEM-94532676609 [0,2,0,0,0,0|2,0,0]=4 283 B15R1.5537 COc1c(cc(cc1CO)C=CCO)F AIFCHEM-6472283508 [0,2,0,0,0,0|2,0,0]=4 284 B15R1.12146 COc1ccc(cc1C(=O)O)C=CCO AIFCHEM-6330107091 [0,2,0,0,0,0|2,0,0]=4 285 B15R1.23243 COc1ccc(c(c1C=O)C)C=CCO AIFCHEM-6485645139 [0,2,0,0,0,0|2,0,0]=4 286 B15R1.1060 Cc1ccc(cc1S(=O)(=O)C)C=CCO AIFCHEM-6386214916 [0,2,0,0,0,0|1,1,0]=4 287 B15R1.1060 OCC=Cc1ccc(c(c1)C(F)(F)F)O AIFCHEM-6426603917 [0,2,0,0,0,0|2,0,0]=4 288 B15R1.1196 COCC=Cc1ccc(c(c1)N(C)C)F AIFCHEM-94526753831 [0,2,0,0,0,0|2,0,0]=4 289 B15R1.245 CCCCC=Cc1ccc(c(c1)OC)C AIFCHEM-6484408038 [0,2,0,0,0,0|2,0,0]=4 290 B15R1.245 COc1cc(ccc1O)CNCOC=O AIFCHEM-94595103748 [0,2,0,0,0,0|1,0,1]=4 291 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)C AIFCHEM-5926384933 [0,2,0,0,0,0|2,0,0]=4 292 B15R1.1277 COc1cc(ccc1F)NC(=O)CCO AIFCHEM-94569327593 [0,2,0,0,0,0|1,0,1]=4 293 B15R1.2085 CCCC=Cc1ccc(c(c1F)OC)F AIFCHEM-6382393259 [0,2,0,0,0,0|2,0,0]=4 294 B15R1.4141 CCCC=Cc1cc(c(c(c1)OC)O)O AIFCHEM-6194222772 [0,2,0,0,0,0|1,0,0]=3 295 B15R1.4141 CCOC=Cc1cc(c(c(c1)OC)N)C AIFCHEM-6213503605 [0,2,0,0,0,0|2,0,0]=4 296 B15R1.4141 CCOC=Cc1cc(c(c(c1)OC)O)O AIFCHEM-6256539860 [0,2,0,0,0,0|1,0,0]=3 297 B15R1.4141 COCC=Cc1cc(c(c(c1)OC)O)O AIFCHEM-6203830991 [0,2,0,0,0,0|0,0,0]=2 298 B15R1.4141 COc1cc(cc(c1O)Br)CNCCO AIFCHEM-94544767452 [0,2,0,0,0,0|0,0,2]=4 299 B15R1.4141 COc1cc(cc(c1O)O)CNCCO AIFCHEM-94577778736 [0,2,0,0,0,0|0,0,2]=4 300 B15R1.4458 CCCC=Cc1cc(c(cc1N)F)OC AIFCHEM-5958282923 [0,2,0,0,0,0|2,0,0]=4 301 B15R1.4458 COCC=Cc1cc(c(cc1F)O)C#N AIFCHEM-94599687086 [0,2,0,0,0,0|2,0,0]=4 302 B15R1.4458 COCC=Cc1cc(c(cc1N)F)OC AIFCHEM-5935626939 [0,2,0,0,0,0|1,0,0]=3 303 B15R1.4458 COCC=Cc1cc(c(cc1O)O)C=O AIFCHEM-6384397084 [0,2,0,0,0,0|2,0,0]=4 304 B15R1.1794 COc1cc(c(cc1Br)F)NC(=O)CO AIFCHEM-94532674768 [0,2,0,0,0,0|2,0,0]=4 305 B15R1.1794 COc1cc(c(cc1Cl)Br)NC(=O)CO AIFCHEM-94532687616 [0,2,0,0,0,0|2,0,0]=4 306 B15R1.1794 COc1cc(c(cc1Cl)C)NC(=O)CO AIFCHEM-94532684277 [0,2,0,0,0,0|2,0,0]=4 307 B15R1.5536 COc1cc(cc(c1N)OC)C=CCO AIFCHEM-5634761897 [0,2,0,0,0,0|1,0,0]=3 308 B13R1.495 COC(=O)c1ccc(s1)C=CCO AIFCHEM-6334517252 [0,0,1,1,0,0|1,1,0]=4 309 B13R2.449 CC=Cc1ccc2c(c1)CCO2 AIFCHEM-6403707624 [1,0,0,1,0,0|1,0,0]=3 310 B13R2.449 CC=Cc1ccc2occc2c1 AIFCHEM-6341830459 [1,0,0,1,0,0|1,0,1]=4 311 B13R2.449 CCNc1ccc2c(c1)OCO2 AIFCHEM-94559640615 [1,0,0,1,0,0|1,0,1]=4 312 B15R2.7688 CC(O)C=Cc1ccc2c(c1)CCN2 AIFCHEM-5919661452 [0,1,0,1,0,0|2,0,0]=4 313 B15R2.7688 CC(O)C=Cc1ccc2c(c1)OCO2 AIFCHEM-6354273153 [0,1,0,1,0,0|0,0,0]=2 314 B15R2.7688 CC(O)C=Cc1ccc2cnoc2c1 AIFCHEM-6448911940 [0,1,0,1,0,0|2,0,0]=4 315 B15R2.2234 CCc1cc(ccc1N)C2=CCOC2 AIFCHEM-94590950455 [0,1,0,1,0,0|2,0,0]=4 316 B15R2.2234 CCc1cc(ccc1O)C2=COCC2 AIFCHEM-6310725769 [0,1,0,1,0,0|1,0,1]=4 317 B15R2.2234 CCc1cc(ccc1O)c2ccon2 AIFCHEM-94523449188 [0,1,0,1,0,0|1,0,1]=4 318 B15R2.2234 CCc1cc(ccc1O)c2ncco2 AIFCHEM-94523462186 [0,1,0,1,0,0|1,0,1]=4 319 B15R2.2234 COc1cc(ccc1F)C2=CCCC2 AIFCHEM-6304474206 [0,1,0,1,0,0|2,0,0]=4 320 B15R2.2234 COc1cc(ccc1F)C2=COCC2 AIFCHEM-6326996955 [0,1,0,1,0,0|1,0,1]=4 321 B15R2.2234 COc1cc(ccc1F)c2ccon2 AIFCHEM-6421425113 [0,1,0,1,0,0|1,0,1]=4 322 B15R2.2234 COc1cc(ccc1N)C2=CCCC2 AIFCHEM-5734374190 [0,1,0,1,0,0|2,0,0]=4 323 B15R2.2234 COc1cc(ccc1N)C2=CCNC2 AIFCHEM-5708722141 [0,1,0,1,0,0|2,0,0]=4 324 B15R2.2234 COc1cc(ccc1O)C2=CCNC2 AIFCHEM-6360971430 [0,1,0,1,0,0|1,0,0]=3 325 B15R2.2234 COc1cc(ccc1O)c2cc[nH]c2 AIFCHEM-6410084119 [0,1,0,1,0,0|1,0,1]=4 326 B15R2.2234 COc1cc(ccc1O)c2cccs2 AIFCHEM-6453028748 [0,1,0,1,0,0|0,1,1]=4 327 B15R2.2234 COc1cc(ccc1O)c2ccn[nH]2 AIFCHEM-94592429503 [0,1,0,1,0,0|1,0,1]=4 328 B15R2.2234 COc1cc(ccc1O)c2ccoc2 AIFCHEM-6321764774 [0,1,0,1,0,0|0,0,1]=3 329 B15R2.2234 COc1cc(ccc1O)c2ccon2 AIFCHEM-6389902043 [0,1,0,1,0,0|0,0,1]=3 330 B15R2.2234 COc1cc(ccc1O)c2ccsc2 AIFCHEM-6472883740 [0,1,0,1,0,0|0,1,1]=4 331 B15R2.2234 COc1cc(ccc1O)c2cn[nH]n2 AIFCHEM-94553323860 [0,1,0,1,0,0|2,0,0]=4 332 B15R2.2234 COc1cc(ccc1O)c2ncc[nH]2 AIFCHEM-6393359315 [0,1,0,1,0,0|1,0,1]=4 333 B15R2.2234 COc1cc(ccc1O)c2nccs2 AIFCHEM-6314059612 [0,1,0,1,0,0|0,1,1]=4 334 B15R2.2234 COc1cc(ccc1O)c2ncns2 AIFCHEM-6350262722 [0,1,0,1,0,0|1,1,0]=4 335 B15R2.2234 COc1cc(ccc1O)c2nncs2 AIFCHEM-6373037523 [0,1,0,1,0,0|2,0,0]=4 336 B15R2.2234 COc1nc(ccc1O)C2=CCNC2 AIFCHEM-6335917809 [0,1,0,1,0,0|2,0,0]=4 337 B15R2.2234 NCc1cc(ccc1O)C2=CCOC2 AIFCHEM-5619311904 [0,1,0,1,0,0|2,0,0]=4 338 B15R2.352 OCC=Cc1ccc2c(c1)CCCN2 AIFCHEM-5996241969 [0,1,0,1,0,0|2,0,0]=4 339 B15R2.352 OCC=Cc1ccc2c(c1)CCCO2 AIFCHEM-6404963688 [0,1,0,1,0,0|1,0,0]=3 340 B15R2.352 OCC=Cc1ccc2c(c1)CCOC2 AIFCHEM-6430725368 [0,1,0,1,0,0|1,0,0]=3 341 B15R2.352 OCC=Cc1ccc2c(c1)CNCC2 AIFCHEM-5941457170 [0,1,0,1,0,0|2,0,0]=4 342 B15R2.352 OCC=Cc1ccc2c(n1)NCCO2 AIFCHEM-6239865882 [0,1,0,1,0,0|2,0,0]=4 343 B15R2.17700 Cc1nc2ccc(cc2s1)C=CCO AIFCHEM-6435044533 [0,1,0,1,0,0|1,1,0]=4 344 B15R2.17700 O=c1[nH]c2cc(ccc2o1)C=CCO AIFCHEM-6369866983 [0,1,0,1,0,0|1,0,1]=4 345 B15R2.17700 OCC=Cc1ccc2c(c1)CC(C2)O AIFCHEM-6324707569 [0,1,0,1,0,0|2,0,0]=4 346 B15R2.1393 Cc1n[nH]c2c1cc(cc2)C=CCO AIFCHEM-6405088373 [0,1,0,1,0,0|2,0,0]=4 347 B15R2.1393 Nc1noc2c1cc(cc2)C=CCO AIFCHEM-5603010357 [0,1,0,1,0,0|2,0,0]=4 348 B15R2.1393 O=c1[nH]oc2c1cc(cc2)C=CCO AIFCHEM-6483206580 [0,1,0,1,0,0|2,0,0]=4 349 B15R2.17712 CN1CCc2c1ccc(c2)C=CCO AIFCHEM-6349548038 [0,1,0,1,0,0|2,0,0]=4 350 B15R2.17712 NC1COc2c1ccc(c2)C=CCO AIFCHEM-5783703675 [0,1,0,1,0,0|1,0,0]=3 351 B15R2.2123 CCOC=Cc1ccc2c(c1)OCO2 AIFCHEM-6288788499 [0,1,0,1,0,0|1,0,0]=3 352 B15R2.2123 COCC=Cc1ccc2c(c1)CCC2 AIFCHEM-6298153953 [0,1,0,1,0,0|2,0,0]=4 353 B15R2.2123 COCC=Cc1ccc2ccoc2c1 AIFCHEM-6398748952 [0,1,0,1,0,0|1,0,1]=4 354 B15R2.2123 COCC=Cc1ccc2ocnc2c1 AIFCHEM-6486289422 [0,1,0,1,0,0|1,0,1]=4 355 B15R2.30442 CCc1cc(ccc1O)C=C2CCC2 AIFCHEM-6348330587 [0,1,0,1,0,0|2,0,0]=4 356 B15R2.30442 COc1cc(ccc1O)NC2COC2 AIFCHEM-5608209927 [0,1,0,1,0,0|1,0,1]=4 357 B15R2.1636 OCC=Cc1ccc2c(c1O)CCC2 AIFCHEM-6395088717 [0,1,0,1,0,0|2,0,0]=4 358 B15R2.4343 CC(CO)Nc1ccc2c(c1)OCO2 AIFCHEM-94528074328 [0,1,0,1,0,0|1,0,1]=4 359 B15R2.4343 O=C(CO)Nc1ccc2c(c1)OCC2 AIFCHEM-94532683830 [0,1,0,1,0,0|2,0,0]=4 360 B15R2.1503 OCC=Cc1cc2c(cc1O)OCO2 AIFCHEM-6483062726 [0,1,0,1,0,0|0,0,0]=2 361 B11R1.18 CCc1ccsc1C=CCO AIFCHEM-6293615659 [1,0,0,0,1,0|2,0,0]=4 362 B13R1.73 COc1cc(ccc1C=CCO)F AIFCHEM-6326605297 [0,0,0,0,1,1|1,0,0]=3 363 B13R1.73 COc1cc(ccc1C=CCO)N AIFCHEM-6214863531 [0,0,0,0,1,1|1,0,0]=3 364 B13R1.3516 NCc1c(cccc1C=CCO)O AIFCHEM-5804384247 [0,0,0,0,1,1|2,0,0]=4 365 B10R1.10 CC=Cc1cc(ccn1)C AIFCHEM-6229029433 [3,0,0,0,0,0|1,0,0]=4 366 B10R1.1 CC=Cc1ccc(cc1)N AIFCHEM-94608719473 [3,0,0,0,0,0|1,0,0]=4 367 B12R1.41 CC=Cc1cc(nc(c1)OC)C AIFCHEM-6310237079 [2,1,0,0,0,0|1,0,0]=4 368 B12R1.270 CC=Cc1cc(ccc1N)CC AIFCHEM-6189151926 [2,1,0,0,0,0|1,0,0]=4 369 B12R1.270 CC=Cc1cc(ccc1O)CC AIFCHEM-6387526475 [2,1,0,0,0,0|1,0,0]=4 370 B12R1.270 CC=Cc1cc(ccc1O)OC AIFCHEM-6347348005 [2,1,0,0,0,0|0,0,0]=3 371 B12R1.270 CC=Cc1cc(ncc1C)OC AIFCHEM-6337456605 [2,1,0,0,0,0|1,0,0]=4 372 B12R1.270 CC=Cc1nc(ccc1O)OC AIFCHEM-6380064637 [2,1,0,0,0,0|1,0,0]=4 373 B12R1.278 CC=Cc1cccc(c1)COC AIFCHEM-6432225327 [2,1,0,0,0,0|0,0,0]=3 374 B12R1.278 CC=Cc1cccc(c1)SCC AIFCHEM-6344730616 [2,1,0,0,0,0|0,1,0]=4 375 B12R1.279 CC=Cc1cccc(c1)C(C)O AIFCHEM-6406032175 [2,1,0,0,0,0|1,0,0]=4 376 B12R1.279 CC=Cc1cccc(c1)[C@@H](C)O AIFCHEM-6315978601 [2,1,0,0,0,0|1,0,0]=4 377 B12R1.279 CC=Cc1cccc(c1)[C@H](C)O AIFCHEM-6358323213 [2,1,0,0,0,0|1,0,0]=4 378 B12R1.280 CC=Cc1cccc(c1C)OC AIFCHEM-6189756030 [2,1,0,0,0,0|0,0,0]=3 379 B12R1.280 CC=Cc1ccnc(c1C)OC AIFCHEM-6380456186 [2,1,0,0,0,0|1,0,0]=4 380 B12R1.435 C/C=C(\C)/c1cc(ccn1)OC AIFCHEM-94584223333 [2,1,0,0,0,0|1,0,0]=4 381 B12R1.435 C/C=C(\C)/c1cccc(c1)OC AIFCHEM-94584221738 [2,1,0,0,0,0|0,0,0]=3 382 B12R1.435 C/C=C(\C)/c1cncc(c1)OC AIFCHEM-94584219095 [2,1,0,0,0,0|1,0,0]=4 383 B12R1.19 CC(=Cc1ccc(c(c1)O)O)C AIFCHEM-6398326996 [2,1,0,0,0,0|0,0,0]=3 384 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O AIFCHEM-94527206242 [2,1,0,0,0,0|1,0,0]=4 385 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O AIFCHEM-94535592055 [2,1,0,0,0,0|1,0,0]=4 386 B12R1.44 CC=Cc1cc(c(c(c1)F)O)O AIFCHEM-6377699158 [2,1,0,0,0,0|0,0,0]=3 387 B12R1.44 CC=Cc1cc(c(c(c1)O)N)C AIFCHEM-5693022545 [2,1,0,0,0,0|1,0,0]=4 388 B12R1.44 CC=Cc1cc(c(c(c1)O)O)O AIFCHEM-6469866739 [2,1,0,0,0,0|0,0,0]=3 389 B12R1.288 CC=Cc1ccc(c(c1)C)CN AIFCHEM-5979164459 [2,1,0,0,0,0|1,0,0]=4 390 B12R1.288 CC=Cc1ccc(c(c1)F)CO AIFCHEM-6347865552 [2,1,0,0,0,0|1,0,0]=4 391 B12R1.288 CC=Cc1ccc(c(c1)O)C=O AIFCHEM-6293566946 [2,1,0,0,0,0|0,0,1]=4 392 B12R1.288 CC=Cc1ccc(c(c1)O)CN AIFCHEM-94527574218 [2,1,0,0,0,0|1,0,0]=4 393 B12R1.288 CC=Cc1ccc(c(c1)O)CO AIFCHEM-6374086241 [2,1,0,0,0,0|0,0,0]=3 394 B12R1.367 C/C=C(\C)/c1ccc(c(c1)O)N AIFCHEM-94584218023 [2,1,0,0,0,0|1,0,0]=4 395 B12R1.367 C/C=C(\C)/c1ccc(c(c1)O)O AIFCHEM-94584214301 [2,1,0,0,0,0|0,0,0]=3 396 B12R1.544 CC=Cc1ccc(c(c1C)C)F AIFCHEM-6354953734 [2,1,0,0,0,0|1,0,0]=4 397 B12R1.544 CC=Cc1ccc(c(c1F)C)O AIFCHEM-6411723785 [2,1,0,0,0,0|0,0,0]=3 398 B12R1.544 CC=Cc1ccc(c(c1F)O)F AIFCHEM-6452343618 [2,1,0,0,0,0|1,0,0]=4 399 B12R1.1123 CC=Cc1cc(c(cc1C)F)C AIFCHEM-6367410346 [2,1,0,0,0,0|1,0,0]=4 400 B12R1.1123 CC=Cc1cc(c(cc1C)F)O AIFCHEM-6420636872 [2,1,0,0,0,0|1,0,0]=4 401 B12R1.1123 CC=Cc1cc(c(cc1C)O)C AIFCHEM-94548651906 [2,1,0,0,0,0|0,0,0]=3 402 B12R1.1123 CC=Cc1cc(c(cc1F)O)F AIFCHEM-6292639947 [2,1,0,0,0,0|1,0,0]=4 403 B12R1.1123 CC=Cc1cc(c(cc1O)C)C AIFCHEM-6307721343 [2,1,0,0,0,0|1,0,0]=4 404 B12R1.25 Cc1ccnc(c1F)C=CCO AIFCHEM-6354992976 [2,1,0,0,0,0|1,0,0]=4 405 B12R1.25 Cc1cncc(c1C)C=CCO AIFCHEM-6309309029 [2,1,0,0,0,0|1,0,0]=4 406 B12R1.25 Cc1nccc(c1N)C=CCO AIFCHEM-6221163417 [2,1,0,0,0,0|1,0,0]=4 407 B12R1.25 OCC=Cc1cccc(c1O)O AIFCHEM-6309534545 [2,1,0,0,0,0|0,0,0]=3 408 B12R1.28 CCOC=Cc1cccc(c1)C AIFCHEM-6334722464 [2,1,0,0,0,0|1,0,0]=4 409 B12R1.28 COCC=Cc1cccc(c1)N AIFCHEM-94552694627 [2,1,0,0,0,0|1,0,0]=4 410 B12R1.28 COCC=Cc1ccnc(c1)C AIFCHEM-6316377501 [2,1,0,0,0,0|1,0,0]=4 411 B12R1.28 COCC=Cc1cncc(c1)O AIFCHEM-6391339069 [2,1,0,0,0,0|1,0,0]=4 412 B12R1.100 Cc1cc(cc(=O)[nH]1)C=CCO AIFCHEM-6329056253 [2,1,0,0,0,0|1,0,0]=4 413 B12R1.100 Cc1cc(cc(c1)C=CCO)F AIFCHEM-6354116384 [2,1,0,0,0,0|0,0,0]=3 414 B12R1.100 Cc1cc(cc(n1)C=CCO)N AIFCHEM-6314737182 [2,1,0,0,0,0|1,0,0]=4 415 B12R1.100 Cc1cc(cc(n1)N)C=CCO AIFCHEM-5695915396 [2,1,0,0,0,0|1,0,0]=4 416 B12R1.100 Nc1cc(cc(c1)C=CCO)F AIFCHEM-6050088281 [2,1,0,0,0,0|1,0,0]=4 417 B12R1.226 CC(O)C=Cc1cncc(c1)O AIFCHEM-6476489739 [2,1,0,0,0,0|1,0,0]=4 418 B12R1.374 Cc1cc(c(cn1)F)C=CCO AIFCHEM-6470281658 [2,1,0,0,0,0|1,0,0]=4 419 B12R1.374 Cc1cc(c(cn1)O)C=CCO AIFCHEM-6299058679 [2,1,0,0,0,0|1,0,0]=4 420 B12R1.374 Cc1ccc(c(n1)C=CCO)F AIFCHEM-6413529296 [2,1,0,0,0,0|1,0,0]=4 421 B12R1.374 Cc1ccc(c(n1)C=CCO)O AIFCHEM-6415695634 [2,1,0,0,0,0|1,0,0]=4 422 B12R1.374 Cc1cnc(c(c1)C=CCO)C AIFCHEM-6350593601 [2,1,0,0,0,0|1,0,0]=4 423 B12R1.374 Nc1ccc(c(c1)C=CCO)F AIFCHEM-5796105624 [2,1,0,0,0,0|1,0,0]=4 424 B12R1.374 OCC=Cc1cc(ccc1F)O AIFCHEM-6316570592 [2,1,0,0,0,0|0,0,0]=3 425 B12R1.1 COCC=Cc1ccc(cc1)F AIFCHEM-6359501464 [2,1,0,0,0,0|1,0,0]=4 426 B12R1.1 COCC=Cc1ccc(nc1)O AIFCHEM-94542527616 [2,1,0,0,0,0|1,0,0]=4 427 B12R1.21 CC(O)C=Cc1ccc(cc1)O AIFCHEM-94601033022 [2,1,0,0,0,0|0,0,0]=3 428 B12R1.21 Cc1ccc(cc1)C=CC(C)O AIFCHEM-94528939842 [2,1,0,0,0,0|1,0,0]=4 429 B12R1.49 O=C(CO)Nc1ccc(cc1)O AIFCHEM-94532676141 [2,1,0,0,0,0|1,0,0]=4 430 B12R1.69 Cc1ccc(c(c1)C)C=CCO AIFCHEM-94607013894 [2,1,0,0,0,0|1,0,0]=4 431 B12R1.69 Cc1ccc(c(c1)F)C=CCO AIFCHEM-6337803033 [2,1,0,0,0,0|1,0,0]=4 432 B12R1.69 Nc1cc(ccc1C=CCO)O AIFCHEM-6118720578 [2,1,0,0,0,0|0,0,0]=3 433 B12R1.69 OCC=Cc1ccc(cc1O)O AIFCHEM-6301496114 [2,1,0,0,0,0|0,0,0]=3 434 B12R1.71 COc1ccc(cn1)C=CCO AIFCHEM-6336731333 [2,1,0,0,0,0|1,0,0]=4 435 B12R1.71 CSc1ccc(cc1)C=CCO AIFCHEM-6381160487 [2,1,0,0,0,0|0,1,0]=4 436 B12R1.71 N#Cc1ccc(cc1)C=CCO AIFCHEM-6325207024 [2,1,0,0,0,0|1,0,0]=4 437 B12R1.71 NCc1ccc(cc1)C=CCO AIFCHEM-5598304750 [2,1,0,0,0,0|1,0,0]=4 438 B14R1.358 C/C=C(\C)/c1cc(c(c(c1)OC)N)C AIFCHEM-94584217612 [1,2,0,0,0,0|1,0,0]=4 439 B14R1.358 C/C=C(\C)/c1cc(c(c(c1)OC)O)O AIFCHEM-94584218093 [1,2,0,0,0,0|0,0,0]=3 440 B14R1.436 C/C=C(\C)/c1ccc(c(c1)CNC)O AIFCHEM-94584213687 [1,2,0,0,0,0|1,0,0]=4 441 B14R1.436 C/C=C(\C)/c1ccc(c(c1)OCC)C AIFCHEM-94584222712 [1,2,0,0,0,0|1,0,0]=4 442 B14R1.1864 C/C=C(\C)/c1ccc(c(c1)OC)SC AIFCHEM-94534009046 [1,2,0,0,0,0|0,1,0]=4 443 B14R1.1864 C/C=C(\C)/c1cnc(c(c1)OC)OC AIFCHEM-94584219330 [1,2,0,0,0,0|1,0,0]=4 444 B14R1.2283 C/C=C(\C)/c1cc(c(cc1F)F)OC AIFCHEM-94584224042 [1,2,0,0,0,0|1,0,0]=4 445 B14R1.343 COc1cc(cc(c1O)O)C=C(C)C AIFCHEM-6260426356 [1,2,0,0,0,0|0,0,0]=3 446 B14R1.439 CNCc1cc(ccc1O)C=C(C)C AIFCHEM-6072907125 [1,2,0,0,0,0|1,0,0]=4 447 B14R1.439 COCc1cc(ccc1F)C=C(C)C AIFCHEM-6381388368 [1,2,0,0,0,0|1,0,0]=4 448 B14R1.3651 COc1cc(ccc1CN)C=C(C)C AIFCHEM-6194214084 [1,2,0,0,0,0|1,0,0]=4 449 B14R1.3651 COc1cc(ccc1CO)C=C(C)C AIFCHEM-6406154968 [1,2,0,0,0,0|0,0,0]=3 450 B14R1.3651 COc1ccc(cc1OC)NC(=O)C AIFCHEM-6033371770 [1,2,0,0,0,0|1,0,0]=4 451 B14R1.3651 COc1ccc(nc1OC)C=C(C)C AIFCHEM-6397658338 [1,2,0,0,0,0|1,0,0]=4 452 B14R1.489 CC=Cc1ccc(c(c1)NC(=O)C)O AIFCHEM-98308201064 [1,2,0,0,0,0|1,0,0]=4 453 B14R1.489 CC=Cc1ccc(c(c1)OC(C)C)C AIFCHEM-6303478430 [1,2,0,0,0,0|1,0,0]=4 454 B14R1.489 CC=Cc1ccc(c(c1)OC(F)F)F AIFCHEM-6444747226 [1,2,0,0,0,0|1,0,0]=4 455 B14R1.761 CC=Cc1ccc(c(c1)CNCC)O AIFCHEM-6158486962 [1,2,0,0,0,0|1,0,0]=4 456 B14R1.492 CC=Cc1ccc(c(n1)OC)C(=O)O AIFCHEM-6375728550 [1,2,0,0,0,0|1,0,0]=4 457 B14R1.6788 CC=Cc1ccc(c(c1)OC)CC#N AIFCHEM-6301118459 [1,2,0,0,0,0|1,0,0]=4 458 B14R1.6788 CC=Cc1ccc(c(c1)OC)OCC AIFCHEM-6342843633 [1,2,0,0,0,0|0,0,0]=3 459 B14R1.10285 CC=Cc1ccc(c(c1F)OC)C#N AIFCHEM-6377273402 [1,2,0,0,0,0|1,0,0]=4 460 B14R1.491 CC=Cc1ccc(c(c1)C(C)(C)C)O AIFCHEM-6358979464 [1,2,0,0,0,0|1,0,0]=4 461 B14R1.3227 CC=Cc1cc(c(c(c1F)OC)F)F AIFCHEM-6290481217 [1,2,0,0,0,0|1,0,0]=4 462 B14R1.15069 CC=Cc1cc(c(cc1C=O)O)OC AIFCHEM-6372017653 [1,2,0,0,0,0|0,0,0]=3 463 B14R1.3236 CC=Cc1cc(c(c(c1)OC)O)C=O AIFCHEM-6306764836 [1,2,0,0,0,0|0,0,0]=3 464 B14R1.75 COc1cccc(c1)NC(=O)C(C)O AIFCHEM-94573859437 [1,2,0,0,0,0|1,0,0]=4 465 B14R1.75 COc1cccc(c1)NC(=O)[C@@H](C)O AIFCHEM-94573853167 [1,2,0,0,0,0|1,0,0]=4 466 B14R1.75 COc1cccc(c1)NC(=O)[C@H](C)O AIFCHEM-94573861191 [1,2,0,0,0,0|1,0,0]=4 467 B14R1.83 COc1cccc(c1Br)NC(=O)CO AIFCHEM-94532675023 [1,2,0,0,0,0|1,0,0]=4 468 B14R1.378 COc1cc(cc(c1)NC(=O)CO)F AIFCHEM-94532680437 [1,2,0,0,0,0|1,0,0]=4 469 B14R1.48 CCOC=Cc1cc(cc(c1)OC)C AIFCHEM-94580720047 [1,2,0,0,0,0|1,0,0]=4 470 B14R1.376 COc1cc(cc(c1)C=CC(C)O)N AIFCHEM-6105281020 [1,2,0,0,0,0|0,0,0]=3 471 B14R1.376 COc1cc(cc(n1)C=CC(C)O)C AIFCHEM-6318760436 [1,2,0,0,0,0|1,0,0]=4 472 B14R1.376 COc1cc(nc(c1)C=CC(C)O)N AIFCHEM-6336820102 [1,2,0,0,0,0|1,0,0]=4 473 B14R1.763 COc1cc(cc(c1)C=CCO)C#N AIFCHEM-6372119136 [1,2,0,0,0,0|0,0,0]=3 474 B14R1.763 COc1cc(cc(c1)CO)C=CCO AIFCHEM-6390403286 [1,2,0,0,0,0|0,0,0]=3 475 B14R1.763 COc1cc(cc(n1)C#N)C=CCO AIFCHEM-6335103305 [1,2,0,0,0,0|1,0,0]=4 476 B14R1.7444 COc1cc(c(c(c1)C=CCO)F)N AIFCHEM-94601422402 [1,2,0,0,0,0|0,0,0]=3 477 B14R1.7444 COc1cc(c(c(c1)C=CCO)O)N AIFCHEM-5737661531 [1,2,0,0,0,0|0,0,0]=3 478 B14R1.759 COc1ccc(c(c1)C=CCO)C=O AIFCHEM-6444394969 [1,2,0,0,0,0|0,0,0]=3 479 B14R1.885 CCCC=Cc1cc(ccc1N)OC AIFCHEM-5710751911 [1,2,0,0,0,0|1,0,0]=4 480 B14R1.885 CCOC=Cc1cc(ccc1O)OC AIFCHEM-6308835002 [1,2,0,0,0,0|1,0,0]=4 481 B14R1.2335 CCc1ccc(c(c1)C=CC(C)O)N AIFCHEM-6210866072 [1,2,0,0,0,0|1,0,0]=4 482 B14R1.2335 COc1ccc(c(c1)C=CC(C)O)C AIFCHEM-6296326025 [1,2,0,0,0,0|0,0,0]=3 483 B14R1.2335 COc1ccc(c(c1)C=CC(C)O)O AIFCHEM-6347511154 [1,2,0,0,0,0|0,0,0]=3 484 B14R1.2335 COc1cnc(c(c1)C=CC(C)O)N AIFCHEM-5682102893 [1,2,0,0,0,0|1,0,0]=4 485 B14R1.468 CCOc1ccnc(c1)C=CC(C)O AIFCHEM-6400655863 [1,2,0,0,0,0|1,0,0]=4 486 B14R1.468 CCOc1cncc(c1)C=CC(C)O AIFCHEM-6301805071 [1,2,0,0,0,0|1,0,0]=4 487 B14R1.468 COCc1cccc(c1)C=CC(C)O AIFCHEM-6442293647 [1,2,0,0,0,0|0,0,0]=3 488 B14R1.778 CC(C)Oc1cc(ccn1)C=CCO AIFCHEM-6305717172 [1,2,0,0,0,0|1,0,0]=4 489 B14R1.778 CN(C)Cc1cccc(c1)C=CCO AIFCHEM-6191697195 [1,2,0,0,0,0|1,0,0]=4 490 B14R1.778 OCC=Cc1cccc(c1)OC(F)F AIFCHEM-6362256982 [1,2,0,0,0,0|0,0,0]=3 491 B14R1.780 CNC(=O)c1cccc(c1)C=CCO AIFCHEM-6446609590 [1,2,0,0,0,0|1,0,0]=4 492 B14R1.780 COC(=O)c1cc(ccn1)C=CCO AIFCHEM-6319315637 [1,2,0,0,0,0|1,0,0]=4 493 B14R1.780 NC(CO)c1cccc(c1)C=CCO AIFCHEM-94574901151 [1,2,0,0,0,0|1,0,0]=4 494 B14R1.780 N[C@@H](CO)c1cccc(c1)C=CCO AIFCHEM-94603254617 [1,2,0,0,0,0|1,0,0]=4 495 B14R1.780 N[C@H](CO)c1cccc(c1)C=CCO AIFCHEM-6309626491 [1,2,0,0,0,0|1,0,0]=4 496 B14R1.898 CCCc1cccc(c1)C=CCOC AIFCHEM-6307478534 [1,2,0,0,0,0|1,0,0]=4 497 B14R1.898 CCOC=Cc1cccc(c1)COC AIFCHEM-6442121383 [1,2,0,0,0,0|1,0,0]=4 498 B14R1.898 CCOC=Cc1cccc(c1)OCC AIFCHEM-94580719711 [1,2,0,0,0,0|1,0,0]=4 499 B14R1.898 CCOc1cccc(c1)C=CCOC AIFCHEM-6288854198 [1,2,0,0,0,0|0,0,0]=3 500 B14R1.898 CCOc1ccnc(c1)C=CCOC AIFCHEM-6480068915 [1,2,0,0,0,0|1,0,0]=4 501 B14R1.899 COCC=Cc1cccc(c1)N(C)C AIFCHEM-6287839654 [1,2,0,0,0,0|1,0,0]=4 502 B14R1.81 CNc1cccc(c1N)C=CC(C)O AIFCHEM-6434639624 [1,2,0,0,0,0|1,0,0]=4 503 B14R1.81 COc1ccnc(c1C)C=CC(C)O AIFCHEM-6367537681 [1,2,0,0,0,0|1,0,0]=4 504 B14R1.900 CCCC=Cc1cccc(c1O)OC AIFCHEM-6317614317 [1,2,0,0,0,0|1,0,0]=4 505 B14R1.900 CCOC=Cc1cccc(c1N)OC AIFCHEM-94580722711 [1,2,0,0,0,0|1,0,0]=4 506 B14R1.900 COCC=Cc1ccnc(c1C)OC AIFCHEM-6347968467 [1,2,0,0,0,0|1,0,0]=4 507 B14R1.7368 CNc1cccc(c1C#N)C=CCO AIFCHEM-6214320936 [1,2,0,0,0,0|1,0,0]=4 508 B14R1.7368 COc1ccnc(c1C#N)C=CCO AIFCHEM-94585154618 [1,2,0,0,0,0|1,0,0]=4 509 B14R1.2162 COc1cccc(c1)C=CC(C)(C)O AIFCHEM-94547742811 [1,2,0,0,0,0|0,0,0]=3 510 B14R1.228 CCCCC=Cc1cccc(c1)OC AIFCHEM-94547741011 [1,2,0,0,0,0|1,0,0]=4 511 B14R1.61 CCCC=Cc1cc(c(c(c1)F)O)O AIFCHEM-6309027945 [1,2,0,0,0,0|1,0,0]=4 512 B14R1.61 CCCC=Cc1cc(c(c(c1)N)O)C AIFCHEM-94536947220 [1,2,0,0,0,0|1,0,0]=4 513 B14R1.61 CCCC=Cc1cc(c(c(c1)O)O)O AIFCHEM-6387877294 [1,2,0,0,0,0|1,0,0]=4 514 B14R1.61 CCOC=Cc1cc(c(c(c1)F)O)O AIFCHEM-94580725878 [1,2,0,0,0,0|1,0,0]=4 515 B14R1.61 CCOC=Cc1cc(c(c(c1)O)O)O AIFCHEM-6469858768 [1,2,0,0,0,0|1,0,0]=4 516 B14R1.61 COCC=Cc1cc(c(c(c1)F)N)O AIFCHEM-5839063749 [1,2,0,0,0,0|1,0,0]=4 517 B14R1.61 COCC=Cc1cc(c(c(c1)F)O)C AIFCHEM-6373005860 [1,2,0,0,0,0|0,0,0]=3 518 B14R1.61 COCC=Cc1cc(c(c(c1)F)O)F AIFCHEM-6309062295 [1,2,0,0,0,0|1,0,0]=4 519 B14R1.61 COCC=Cc1cc(c(c(c1)F)O)N AIFCHEM-5933551204 [1,2,0,0,0,0|1,0,0]=4 520 B14R1.61 COCC=Cc1cc(c(c(c1)F)O)O AIFCHEM-6386323648 [1,2,0,0,0,0|0,0,0]=3 521 B14R1.61 COCC=Cc1cc(c(c(c1)O)O)O AIFCHEM-6401881785 [1,2,0,0,0,0|0,0,0]=3 522 B14R1.7500 COc1c(cc(cc1F)C=CCO)F AIFCHEM-6432902768 [1,2,0,0,0,0|1,0,0]=4 523 B14R1.7500 N#Cc1c(cc(cc1F)C=CCO)O AIFCHEM-6311576988 [1,2,0,0,0,0|1,0,0]=4 524 B14R1.7500 O=Cc1c(cc(cc1F)C=CCO)O AIFCHEM-6193529190 [1,2,0,0,0,0|0,0,1]=4 525 B14R1.15552 CC(O)C=Cc1cc(c(c(c1)F)O)O AIFCHEM-6368624223 [1,2,0,0,0,0|0,0,0]=3 526 B14R1.15552 CC(O)C=Cc1cc(c(c(c1)O)O)O AIFCHEM-6475270799 [1,2,0,0,0,0|0,0,0]=3 527 B14R1.15552 Cc1cc(cc(c1N)C)C=CC(C)O AIFCHEM-6055135467 [1,2,0,0,0,0|1,0,0]=4 528 B14R1.684 CC(C)(O)C=Cc1ccc(c(c1)O)F AIFCHEM-6330550474 [1,2,0,0,0,0|1,0,0]=4 529 B14R1.684 CC(C)(O)C=Cc1ccc(c(c1)O)O AIFCHEM-6312109662 [1,2,0,0,0,0|0,0,0]=3 530 B14R1.684 CC(C)(O)C=Cc1cnc(c(c1)O)O AIFCHEM-6395828417 [1,2,0,0,0,0|1,0,0]=4 531 B14R1.684 Cc1cc(ccc1O)C=CC(C)(C)O AIFCHEM-6311747988 [1,2,0,0,0,0|0,0,0]=3 532 B14R1.686 CC(O)C(=O)Nc1ccc(c(c1)O)O AIFCHEM-94540227612 [1,2,0,0,0,0|1,0,0]=4 533 B14R1.833 O=C(CO)NCc1ccc(c(c1)O)O AIFCHEM-94532678370 [1,2,0,0,0,0|0,0,1]=4 534 B14R1.3653 CC(O)C=Cc1ccc(c(c1)F)CO AIFCHEM-6348053358 [1,2,0,0,0,0|1,0,0]=4 535 B14R1.3653 CC(O)C=Cc1ccc(c(c1)O)CN AIFCHEM-94527571720 [1,2,0,0,0,0|1,0,0]=4 536 B14R1.6036 CC(O)C=Cc1cc(c(cc1F)N)O AIFCHEM-5765353687 [1,2,0,0,0,0|1,0,0]=4 537 B14R1.6036 CC(O)C=Cc1cc(c(cc1F)O)N AIFCHEM-6176156105 [1,2,0,0,0,0|1,0,0]=4 538 B14R1.6036 Cc1cc(c(cc1C)C=CC(C)O)F AIFCHEM-6301719695 [1,2,0,0,0,0|1,0,0]=4 539 B14R1.6036 Cc1cc(c(cc1O)C)C=CC(C)O AIFCHEM-6303494260 [1,2,0,0,0,0|0,0,0]=3 540 B14R1.6059 CC(O)C=Cc1ccc(c(c1F)F)O AIFCHEM-6427252497 [1,2,0,0,0,0|1,0,0]=4 541 B14R1.6059 Cc1ccc(c(c1C)F)C=CC(C)O AIFCHEM-6359437410 [1,2,0,0,0,0|1,0,0]=4 542 B14R1.792 Cc1cc(ccc1C(F)F)C=CCO AIFCHEM-6317213276 [1,2,0,0,0,0|1,0,0]=4 543 B14R1.792 NC(=O)c1ccc(cc1O)C=CCO AIFCHEM-6356295915 [1,2,0,0,0,0|0,0,1]=4 544 B14R1.795 Cc1cc(ccc1CC#N)C=CCO AIFCHEM-6426718124 [1,2,0,0,0,0|1,0,0]=4 545 B14R1.909 CCCC=Cc1ccc(c(c1)C)CO AIFCHEM-6420337711 [1,2,0,0,0,0|1,0,0]=4 546 B14R1.909 CCCC=Cc1ccc(c(c1)O)CO AIFCHEM-6365076999 [1,2,0,0,0,0|1,0,0]=4 547 B14R1.909 CCOC=Cc1ccc(c(c1)C)CO AIFCHEM-94580717284 [1,2,0,0,0,0|1,0,0]=4 548 B14R1.909 COCC=Cc1ccc(c(c1)O)CN AIFCHEM-94527572787 [1,2,0,0,0,0|1,0,0]=4 549 B14R1.909 COCC=Cc1ccc(c(c1)O)OC AIFCHEM-6366693902 [1,2,0,0,0,0|0,0,0]=3 550 B14R1.909 COCC=Cc1cnc(c(c1)C)OC AIFCHEM-6353936924 [1,2,0,0,0,0|1,0,0]=4 551 B14R1.1361 COc1ccc(c(c1C)C)C=CCO AIFCHEM-6296657217 [1,2,0,0,0,0|0,0,0]=3 552 B14R1.4436 Cc1cc(c(cc1C=O)C)C=CCO AIFCHEM-6302534195 [1,2,0,0,0,0|0,0,1]=4 553 B14R1.232 CCCCC=Cc1ccc(c(c1)O)O AIFCHEM-6296051617 [1,2,0,0,0,0|1,0,0]=4 554 B14R1.3621 COCC=Cc1cc(c(cc1C)C)C AIFCHEM-6374274547 [1,2,0,0,0,0|1,0,0]=4 555 B14R1.3621 COCC=Cc1cc(c(cc1C)F)C AIFCHEM-6367636782 [1,2,0,0,0,0|1,0,0]=4 556 B14R1.3621 COCC=Cc1cc(c(cc1F)F)O AIFCHEM-6302034702 [1,2,0,0,0,0|1,0,0]=4 557 B14R1.3621 COCC=Cc1cc(c(cc1F)N)C AIFCHEM-5697799635 [1,2,0,0,0,0|1,0,0]=4 558 B14R1.3621 COCC=Cc1cc(c(cc1N)F)C AIFCHEM-5884639322 [1,2,0,0,0,0|1,0,0]=4 559 B14R1.3622 CCCC=Cc1ccc(c(c1C)C)O AIFCHEM-6359589318 [1,2,0,0,0,0|1,0,0]=4 560 B14R1.3622 CCCC=Cc1ccc(c(c1F)C)O AIFCHEM-6411839274 [1,2,0,0,0,0|1,0,0]=4 561 B14R1.3622 COCC=Cc1ccc(c(c1O)C)F AIFCHEM-6322825460 [1,2,0,0,0,0|1,0,0]=4 562 B14R1.4434 COc1cc(c(cc1C=CCO)C)N AIFCHEM-5632086398 [1,2,0,0,0,0|1,0,0]=4 563 B14R1.8824 Cc1c(ccc(c1F)NC(=O)CO)O AIFCHEM-94532674295 [1,2,0,0,0,0|1,0,0]=4 564 B14R1.461 COCC=Cc1ccc(nc1OC)C AIFCHEM-6330965095 [0,1,0,0,1,1|1,0,0]=4 565 B14R1.1354 CCOc1cc(ccc1C=CCO)N AIFCHEM-5929909912 [0,1,0,0,1,1|1,0,0]=4 566 B14R1.1355 CCc1ccc(c(c1)OC)C=CCO AIFCHEM-6447044253 [0,1,0,0,1,1|1,0,0]=4 567 B14R1.1355 COc1cc(ccc1C=CCO)C=O AIFCHEM-6337321062 [0,1,0,0,1,1|0,0,1]=4 568 B14R1.1600 COc1cc(ccc1C=CC(C)O)F AIFCHEM-6326931955 [0,1,0,0,1,1|1,0,0]=4 569 B14R1.3619 CCCC=Cc1cccc(c1OC)O AIFCHEM-6383279680 [0,1,0,0,1,1|1,0,0]=4 570 B14R1.3619 CCOC=Cc1cccc(c1OC)O AIFCHEM-6365792119 [0,1,0,0,1,1|1,0,0]=4 571 B14R1.3619 COCC=Cc1cccc(c1OC)C AIFCHEM-6361901298 [0,1,0,0,1,1|1,0,0]=4 572 B16R1.423 COc1cc(cc(c1N)OC)C=CC(C)O AIFCHEM-5634604720 [0,3,0,0,0,0|1,0,0]=4 573 B16R1.11597 COc1cc(cc(c1O)O)C=CC(C)(C)O AIFCHEM-6194632432 [0,3,0,0,0,0|0,0,0]=3 574 B16R1.1045 CC(=O)Nc1cc(ccc1O)C=CC(C)O AIFCHEM-95494950950 [0,3,0,0,0,0|1,0,0]=4 575 B16R1.1097 COC(=O)c1cc(ccc1N)C=CC(C)O AIFCHEM-5846975159 [0,3,0,0,0,0|1,0,0]=4 576 B16R1.1097 COC(=O)c1nc(ccc1O)C=CC(C)O AIFCHEM-6354265801 [0,3,0,0,0,0|1,0,0]=4 577 B16R1.1196 CCNCc1cc(ccc1O)C=CC(C)O AIFCHEM-6166400966 [0,3,0,0,0,0|1,0,0]=4 578 B16R1.10273 CCOc1cc(ccc1OC)C=CC(C)O AIFCHEM-6352029918 [0,3,0,0,0,0|0,0,0]=3 579 B16R1.12730 CCOc1cc(ccc1C)C=CC(C)(C)O AIFCHEM-6365271339 [0,3,0,0,0,0|1,0,0]=4 580 B16R1.12730 CNCc1cc(ccc1O)C=CC(C)(C)O AIFCHEM-6005159413 [0,3,0,0,0,0|1,0,0]=4 581 B16R1.12730 COCc1cc(ccc1F)C=CC(C)(C)O AIFCHEM-6381388370 [0,3,0,0,0,0|1,0,0]=4 582 B16R1.1075 CC(O)C=Cc1ccc(c(c1)C(C)(C)C)O AIFCHEM-6348226358 [0,3,0,0,0,0|1,0,0]=4 583 B16R1.16574 CC(C)c1cc(ccc1O)C=CC(C)(C)O AIFCHEM-6378347990 [0,3,0,0,0,0|1,0,0]=4 584 B16R1.20040 COc1cc(c(cc1OC)C=CC(C)O)O AIFCHEM-6227080933 [0,3,0,0,0,0|0,0,0]=3 585 B16R1.20063 COc1cc(c(cc1F)N)C=CC(C)(C)O AIFCHEM-5935604899 [0,3,0,0,0,0|1,0,0]=4 586 B16R1.20063 COc1cc(c(cc1N)C)C=CC(C)(C)O AIFCHEM-5977867354 [0,3,0,0,0,0|1,0,0]=4 587 B16R1.20063 COc1cc(c(cc1N)F)C=CC(C)(C)O AIFCHEM-6044132605 [0,3,0,0,0,0|1,0,0]=4 588 B16R1.84799 CCc1ccc(cc1OC)C=CC(C)(C)O AIFCHEM-6474506022 [0,3,0,0,0,0|1,0,0]=4 589 B16R1.84799 COc1cc(ccc1CO)C=CC(C)(C)O AIFCHEM-6431516871 [0,3,0,0,0,0|0,0,0]=3 590 B16R1.84799 COc1ccc(cc1SC)C=CC(C)(C)O AIFCHEM-6402801594 [0,3,0,0,0,0|0,1,0]=4 591 B16R1.84799 COc1nc(ccc1CO)C=CC(C)(C)O AIFCHEM-6292155643 [0,3,0,0,0,0|1,0,0]=4 592 B16R1.15083 COCC(=O)NCc1ccc(c(c1)OC)O AIFCHEM-6127297092 [0,3,0,0,0,0|0,0,1]=4 593 B16R1.4746 CCc1cc(ccc1C(=O)O)C=CC(C)O AIFCHEM-6332104477 [0,3,0,0,0,0|1,0,0]=4 594 B16R1.1432 COCC=Cc1ccc(c(c1)NC(=O)C)O AIFCHEM-98363059179 [0,3,0,0,0,0|1,0,0]=4 595 B16R1.1432 COCC=Cc1ccc(c(c1)OC(F)F)F AIFCHEM-6461920336 [0,3,0,0,0,0|1,0,0]=4 596 B16R1.6994 CC(=O)Nc1cc(cc(c1O)C)C=CCO AIFCHEM-94623999595 [0,3,0,0,0,0|1,0,0]=4 597 B16R1.6994 CC(=O)Nc1cc(cc(c1O)F)C=CCO AIFCHEM-94624009375 [0,3,0,0,0,0|1,0,0]=4 598 B16R1.7367 CC(=O)Nc1cc(c(cc1O)C)C=CCO AIFCHEM-94624014862 [0,3,0,0,0,0|1,0,0]=4 599 B16R1.7367 CC(=O)Nc1cc(c(cc1O)F)C=CCO AIFCHEM-94624010654 [0,3,0,0,0,0|1,0,0]=4 600 B16R1.17951 OCC=Cc1ccc(c(c1)OC(F)(F)F)F AIFCHEM-6321179618 [0,3,0,0,0,0|1,0,0]=4 601 B16R1.17978 CC(C)Oc1cc(ccc1CO)C=CCO AIFCHEM-6291769966 [0,3,0,0,0,0|0,0,0]=3 602 B16R1.17978 COc1ccc(cc1NC(=O)C)C=CCO AIFCHEM-94624015664 [0,3,0,0,0,0|1,0,0]=4 603 B16R1.17979 CCC(=O)Nc1cc(ccc1O)C=CCO AIFCHEM-94623998429 [0,3,0,0,0,0|1,0,0]=4 604 B16R1.17979 O=C(CO)Nc1cc(ccc1O)C=CCO AIFCHEM-94623996849 [0,3,0,0,0,0|1,0,0]=4 605 B16R1.20617 CCNCc1cc(ccc1O)C=CCOC AIFCHEM-6182389434 [0,3,0,0,0,0|1,0,0]=4 606 B16R1.20618 CCCC=Cc1ccc(c(c1)OCC)OC AIFCHEM-6371026286 [0,3,0,0,0,0|1,0,0]=4 607 B16R1.20626 COCC=Cc1ccc(c(c1)C(=O)OC)N AIFCHEM-6115876556 [0,3,0,0,0,0|1,0,0]=4 608 B16R1.20626 COCC=Cc1ccc(c(c1)C(=O)OC)O AIFCHEM-6310179176 [0,3,0,0,0,0|0,0,0]=3 609 B16R1.6975 COC(=O)c1cc(cc(c1C)F)C=CCO AIFCHEM-6416394621 [0,3,0,0,0,0|1,0,0]=4 610 B16R1.6975 COC(=O)c1cc(cc(c1O)O)C=CCO AIFCHEM-6378580564 [0,3,0,0,0,0|0,0,0]=3 611 B16R1.17950 CC(=O)NCc1cc(ccc1O)C=CCO AIFCHEM-94623996829 [0,3,0,0,0,0|1,0,0]=4 612 B16R1.17950 CC(C)COc1cc(ccc1N)C=CCO AIFCHEM-6245843332 [0,3,0,0,0,0|1,0,0]=4 613 B16R1.17969 CCc1ccc(cc1C(=O)OC)C=CCO AIFCHEM-6319438426 [0,3,0,0,0,0|1,0,0]=4 614 B16R1.73207 COC(=O)c1cc(c(cc1C)F)C=CCO AIFCHEM-6377017766 [0,3,0,0,0,0|1,0,0]=4 615 B16R1.73207 COC(=O)c1cc(c(cc1F)C)C=CCO AIFCHEM-6350352099 [0,3,0,0,0,0|1,0,0]=4 616 B16R1.73207 COC(=O)c1cc(c(cc1O)F)C=CCO AIFCHEM-6405201519 [0,3,0,0,0,0|0,0,0]=3 617 B16R1.79608 COC(=O)c1c(ccc(c1C)C=CCO)C AIFCHEM-6383418342 [0,3,0,0,0,0|1,0,0]=4 618 B16R1.1264 COc1cc(ccc1C(F)(F)F)C=CCO AIFCHEM-6371901610 [0,3,0,0,0,0|1,0,0]=4 619 B16R1.1264 COc1cc(ccc1S(=O)(=O)C)C=CCO AIFCHEM-6347924331 [0,3,0,0,0,0|0,0,1]=4 620 B16R1.1436 CCc1cc(ccc1C(=O)O)C=CCOC AIFCHEM-6339492458 [0,3,0,0,0,0|1,0,0]=4 621 B16R1.17949 COC(=O)c1ccc(nc1OC)C=CCO AIFCHEM-6303571560 [0,3,0,0,0,0|1,0,0]=4 622 B16R1.17949 COC(=O)c1ncc(cc1OC)C=CCO AIFCHEM-6384844437 [0,3,0,0,0,0|1,0,0]=4 623 B16R1.277 CCCCC=Cc1ccc(c(c1)OC)OC AIFCHEM-6476164882 [0,3,0,0,0,0|1,0,0]=4 624 B16R1.4988 COCC=Cc1cc(c(c(c1)OC)C=O)F AIFCHEM-6404838380 [0,3,0,0,0,0|0,0,1]=4 625 B16R1.20619 CCOc1ccc(cc1OC)C=CCOC AIFCHEM-6363455358 [0,3,0,0,0,0|0,0,0]=3 626 B16R1.20619 COCC=Cc1ccc(c(c1)OC)CC#N AIFCHEM-6353858654 [0,3,0,0,0,0|1,0,0]=4 627 B16R1.6992 COc1cc(cc(c1OC)C=O)C=CCO AIFCHEM-6304178200 [0,3,0,0,0,0|0,0,0]=3 628 B16R1.12858 CCCCC=Cc1cc(c(c(c1)OC)O)O AIFCHEM-6260463117 [0,3,0,0,0,0|1,0,0]=4 629 B16R1.4977 COCC=Cc1cc(c(c(c1F)OC)F)F AIFCHEM-6314254644 [0,3,0,0,0,0|1,0,0]=4 630 B16R1.4987 CCOC=Cc1cc(c(c(c1)OC)O)C=O AIFCHEM-6295114968 [0,3,0,0,0,0|1,0,0]=4 631 B16R1.29870 CCOC=Cc1cc(c(cc1C=O)O)OC AIFCHEM-6317037188 [0,3,0,0,0,0|1,0,0]=4 632 B12R1.179 CC=Cc1ccc(o1)C(=O)OC AIFCHEM-6288960479 [1,0,1,1,0,0|1,0,0]=4 633 B12R1.121 COc1ncccc1C=CCO AIFCHEM-6291962493 [1,0,1,1,0,0|1,0,0]=4 634 B12R2.143 CC=Cc1ccc2c(c1)CC2 AIFCHEM-6307603872 [2,0,0,1,0,0|1,0,0]=4 635 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 AIFCHEM-94605351261 [1,1,0,1,0,0|1,0,0]=4 636 B14R2.10 COc1cccc(c1)C2=CCCC2 AIFCHEM-94547742394 [1,1,0,1,0,0|1,0,0]=4 637 B14R2.10 COc1cccc(c1)C2=CCOC2 AIFCHEM-94547741979 [1,1,0,1,0,0|0,0,0]=3 638 B14R2.10 COc1cccc(c1)c2cnco2 AIFCHEM-6326135917 [1,1,0,1,0,0|0,0,1]=4 639 B14R2.10 COc1cccc(c1)c2cnoc2 AIFCHEM-94547743723 [1,1,0,1,0,0|1,0,0]=4 640 B14R2.10 COc1cccc(c1)c2ncco2 AIFCHEM-6403466497 [1,1,0,1,0,0|0,0,1]=4 641 B16R2.26496 COc1cc(cc(c1O)O)C=CC2CC2 AIFCHEM-6260459565 [0,2,0,1,0,0|1,0,0]=4 642 B16R2.477 CC(O)C=Cc1ccc2c(c1)NCCO2 AIFCHEM-6190152546 [0,2,0,1,0,0|1,0,0]=4 643 B16R2.3892 Cc1cc2ccc(cc2o1)C=CC(C)O AIFCHEM-94570352798 [0,2,0,1,0,0|1,0,0]=4 644 B16R2.82843 CC(C)(O)C=Cc1ccc2c(c1)OCO2 AIFCHEM-6290792558 [0,2,0,1,0,0|0,0,0]=3 645 B16R2.6257 CC(O)C(=O)Nc1ccc2c(c1)OCO2 AIFCHEM-94571301591 [0,2,0,1,0,0|1,0,0]=4 646 B16R2.6257 C[C@@H](O)C(=O)Nc1ccc2c(c1)OCO2 AIFCHEM-94559641925 [0,2,0,1,0,0|1,0,0]=4 647 B16R2.6257 C[C@H](O)C(=O)Nc1ccc2c(c1)OCO2 AIFCHEM-94528088710 [0,2,0,1,0,0|1,0,0]=4 648 B16R2.83537 CC(O)C=Cc1ccc2c(c1F)OCO2 AIFCHEM-6370825033 [0,2,0,1,0,0|0,0,0]=3 649 B16R2.83537 Cc1c(ccc2c1OCO2)C=CC(C)O AIFCHEM-6365415132 [0,2,0,1,0,0|0,0,0]=3 650 B16R2.2321 CCc1cc(ccc1O)C2=CCCCO2 AIFCHEM-6310441173 [0,2,0,1,0,0|1,0,0]=4 651 B16R2.2321 COc1cc(ccc1O)C2=CCCCC2 AIFCHEM-6397634252 [0,2,0,1,0,0|1,0,0]=4 652 B16R2.6871 COc1cc(ccc1O)c2cnoc2C AIFCHEM-6384557831 [0,2,0,1,0,0|1,0,0]=4 653 B16R2.6871 COc1cc(ccc1O)c2nonc2N AIFCHEM-94573371323 [0,2,0,1,0,0|1,0,0]=4 654 B16R2.2275 COc1cc(ccc1CO)c2ccoc2 AIFCHEM-6387033653 [0,2,0,1,0,0|0,0,1]=4 655 B16R2.539 CCOc1cc(ccc1N)C2=CCOC2 AIFCHEM-5764795845 [0,2,0,1,0,0|1,0,0]=4 656 B16R2.539 CNCc1cc(ccc1O)C2=CCOC2 AIFCHEM-6072933641 [0,2,0,1,0,0|1,0,0]=4 657 B16R2.2042 COc1cc(c(cc1C)N)C2=CCOC2 AIFCHEM-5907136675 [0,2,0,1,0,0|1,0,0]=4 658 B16R2.72 COc1cc(cc(c1N)C)C2=CCOC2 AIFCHEM-6188510074 [0,2,0,1,0,0|1,0,0]=4 659 B16R2.72 COc1cc(cc(c1O)O)C2=CCCC2 AIFCHEM-6260362170 [0,2,0,1,0,0|1,0,0]=4 660 B16R2.72 COc1cc(cc(c1O)O)C2=CCNC2 AIFCHEM-6204096300 [0,2,0,1,0,0|1,0,0]=4 661 B16R2.72 COc1cc(cc(c1O)O)C2=CCOC2 AIFCHEM-6194492059 [0,2,0,1,0,0|0,0,0]=3 662 B16R2.72 COc1cc(cc(c1O)O)C2=COCC2 AIFCHEM-6260433407 [0,2,0,1,0,0|0,0,1]=4 663 B16R2.72 COc1cc(cc(c1O)O)c2ccoc2 AIFCHEM-6260511525 [0,2,0,1,0,0|0,0,1]=4 664 B16R2.1285 CC1CNc2ccc(cc2O1)C=CCO AIFCHEM-5920979732 [0,2,0,1,0,0|1,0,0]=4 665 B16R2.1285 O=C1Nc2cc(ccc2CO1)C=CCO AIFCHEM-6366268450 [0,2,0,1,0,0|1,0,0]=4 666 B16R2.34585 OCC=Cc1ccc2c(c1)OC(O2)(F)F AIFCHEM-6375098656 [0,2,0,1,0,0|0,0,0]=3 667 B16R2.4322 COCC=Cc1ccc2nc(oc2c1)C AIFCHEM-6340428605 [0,2,0,1,0,0|1,0,0]=4 668 B16R2.1056 OCC=Cc1cc2c(cc1F)OCCN2 AIFCHEM-6139447296 [0,2,0,1,0,0|1,0,0]=4 669 B16R2.82508 COc1ccc(c2c1OCO2)C=CCO AIFCHEM-6404598455 [0,2,0,1,0,0|0,0,0]=3 670 B16R2.163604 CN1CCOc2c1ccc(c2)C=CCO AIFCHEM-6373876704 [0,2,0,1,0,0|1,0,0]=4 671 B16R2.1293 O=C1CCOc2c1cc(cc2)C=CCO AIFCHEM-6385476243 [0,2,0,1,0,0|1,0,0]=4 672 B16R2.1293 O=C1COCc2c1cc(cc2)C=CCO AIFCHEM-6319557969 [0,2,0,1,0,0|1,0,0]=4 673 B16R2.2942 Cc1c(ccc2c1OCCO2)C=CCO AIFCHEM-6299968002 [0,2,0,1,0,0|0,0,0]=3 674 B16R2.27892 COCC=Cc1ccc2c(c1)C(CO2)N AIFCHEM-5591666660 [0,2,0,1,0,0|1,0,0]=4 675 B16R2.12177 COc1cc(cc2c1scc2)C=CCO AIFCHEM-94594158320 [0,2,0,1,0,0|0,1,0]=4 676 B16R2.2089 CCCC=Cc1ccc2c(c1F)OCO2 AIFCHEM-6334327415 [0,2,0,1,0,0|1,0,0]=4 677 B16R2.2089 CCOC=Cc1ccc2c(c1N)OCO2 AIFCHEM-6143986312 [0,2,0,1,0,0|1,0,0]=4 678 B16R2.2089 COCC=Cc1ccc2c(c1F)OCO2 AIFCHEM-6321226529 [0,2,0,1,0,0|0,0,0]=3 679 B16R2.26469 COc1cc(cc(c1O)O)C=C2CCC2 AIFCHEM-6194699526 [0,2,0,1,0,0|1,0,0]=4 680 B16R3.1779 C1=C(COC1)c2ccc3c(c2)OCO3 AIFCHEM-6339745824 [0,1,0,2,0,0|0,0,0]=3 681 B16R3.1779 c1coc(n1)c2ccc3c(c2)OCO3 AIFCHEM-6292618343 [0,1,0,2,0,0|0,0,1]=4