0 B12R1.5 C/C=C(\C)/c1ccc(cc1)SC AIFCHEM-94584209307 [0,0,0,0,0,0|2,1,0]=3 1 B12R1.5 C/C=C(\C)/c1ccc(nn1)OC AIFCHEM-94584214288 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.5 CCN(C)c1ccc(cc1)OC AIFCHEM-94537411832 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.22 C/C=C(\C)/c1ccc(cc1)C AIFCHEM-94584220431 [1,0,0,0,0,0|2,0,0]=3 4 B11R1.22 C/C=C(\C)/c1ccc(nc1)O AIFCHEM-94584212304 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.22 CCN(C)c1ccc(cc1)C AIFCHEM-94537423659 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.22 CCN(C)c1ccc(cc1)O AIFCHEM-94520567749 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.83 CC=Cc1ccc(cc1)C#N AIFCHEM-6320108023 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.83 CC=Cc1ccc(nc1)OC AIFCHEM-6304788304 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.83 CC=Cc1cnc(nc1)OC AIFCHEM-6405006277 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.83 CC=Cc1ncc(cn1)OC AIFCHEM-6376224948 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.83 CCNc1ccc(cc1)OC AIFCHEM-94577704899 [1,0,0,0,0,0|2,0,0]=3 12 B13R1.36 COc1ccc(cc1)N(C)C(=O)C AIFCHEM-94605337723 [0,1,0,0,0,0|3,0,0]=4 13 B13R1.95 C/C=C(\C)/c1ccc(cc1C)NC AIFCHEM-94584222064 [0,1,0,0,0,0|3,0,0]=4 14 B13R1.95 C/C=C(\C)/c1ccc(cc1F)OC AIFCHEM-94584218757 [0,1,0,0,0,0|2,0,0]=3 15 B13R1.95 C/C=C(\C)/c1ccc(cc1O)OC AIFCHEM-94584218405 [0,1,0,0,0,0|2,0,0]=3 16 B13R1.139 CC=Cc1ccc(cc1)C(=O)NC AIFCHEM-6328508123 [0,1,0,0,0,0|2,0,0]=3 17 B13R1.139 CC=Cc1ccc(nc1)C(=O)OC AIFCHEM-6287741204 [0,1,0,0,0,0|2,0,0]=3 18 B13R1.139 CC=Cc1ccc(nn1)C(=O)OC AIFCHEM-6364093069 [0,1,0,0,0,0|3,0,0]=4 19 B13R1.139 CCNc1ccc(cc1)C(=O)NC AIFCHEM-94537423740 [0,1,0,0,0,0|2,0,0]=3 20 B13R1.139 CCOc1ccc(cc1)N(C)CC AIFCHEM-94537420104 [0,1,0,0,0,0|3,0,0]=4 21 B13R1.452 CCCN(C)c1ccc(cc1)OC AIFCHEM-94569008915 [0,1,0,0,0,0|3,0,0]=4 22 B13R1.537 C/C=C(\C)/c1ccc(cc1)C(C)N AIFCHEM-94584216318 [0,1,0,0,0,0|3,0,0]=4 23 B13R1.537 C/C=C(\C)/c1ccc(cc1)N(C)C AIFCHEM-94584221172 [0,1,0,0,0,0|3,0,0]=4 24 B13R1.537 C/C=C(\C)/c1ccc(cc1)[C@@H](C)N AIFCHEM-94584220673 [0,1,0,0,0,0|3,0,0]=4 25 B13R1.537 C/C=C(\C)/c1ccc(cc1)[C@H](C)N AIFCHEM-94584212060 [0,1,0,0,0,0|3,0,0]=4 26 B13R1.3088 C/C=C(\C)/c1cc(c(cn1)OC)N AIFCHEM-94584212935 [0,1,0,0,0,0|3,0,0]=4 27 B13R1.3088 C/C=C(\C)/c1ccc(c(c1)C)NC AIFCHEM-94584220162 [0,1,0,0,0,0|3,0,0]=4 28 B13R1.3088 C/C=C(\C)/c1ccc(c(n1)C)OC AIFCHEM-94584222398 [0,1,0,0,0,0|3,0,0]=4 29 B13R1.3088 C/C=C(\C)/c1ccc(c(n1)N)OC AIFCHEM-94584223710 [0,1,0,0,0,0|3,0,0]=4 30 B13R1.5 C#CC(=O)Nc1ccc(cc1)SC AIFCHEM-94525190848 [0,0,0,0,0,1|1,1,1]=4 31 B13R1.5 C#CC(=O)Nc1ccc(cn1)OC AIFCHEM-94525190579 [0,0,0,0,0,1|2,0,1]=4 32 B10R1.1 CC=Cc1ccc(cc1)N AIFCHEM-94608719473 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.1 CCNc1ccc(cc1)C AIFCHEM-94537411875 [2,0,0,0,0,0|2,0,0]=4 34 B12R1.367 C/C=C(\C)/c1ccc(c(c1)O)O AIFCHEM-94584214301 [1,1,0,0,0,0|2,0,0]=4 35 B12R1.4 CCc1ccc(cc1)C=C(C)C AIFCHEM-6310436895 [1,1,0,0,0,0|2,0,0]=4 36 B12R1.4 CSc1ccc(cc1)C=C(C)C AIFCHEM-6350061194 [1,1,0,0,0,0|1,1,0]=4 37 B12R1.71 CCCNc1ccc(cc1)OC AIFCHEM-94569015005 [1,1,0,0,0,0|1,0,1]=4 38 B12R1.71 COc1ccc(cn1)C=CCO AIFCHEM-6336731333 [1,1,0,0,0,0|2,0,0]=4 39 B12R1.71 CSc1ccc(cc1)C=CCO AIFCHEM-6381160487 [1,1,0,0,0,0|1,1,0]=4 40 B12R1.114 CC=Cc1ccc(cc1C)NC AIFCHEM-6231664050 [1,1,0,0,0,0|2,0,0]=4 41 B12R1.114 CC=Cc1ncc(cc1F)OC AIFCHEM-6350006579 [1,1,0,0,0,0|2,0,0]=4 42 B12R1.114 CCNc1ccc(cc1Br)OC AIFCHEM-94537420206 [1,1,0,0,0,0|2,0,0]=4 43 B12R1.114 CCNc1ccc(cc1C)OC AIFCHEM-94537414605 [1,1,0,0,0,0|2,0,0]=4 44 B12R1.114 CCNc1ccc(cc1Cl)OC AIFCHEM-94537419817 [1,1,0,0,0,0|2,0,0]=4 45 B12R1.114 CCNc1ccc(cc1F)OC AIFCHEM-94537421843 [1,1,0,0,0,0|2,0,0]=4 46 B12R1.114 CCNc1ccc(cc1I)OC AIFCHEM-94537417491 [1,1,0,0,0,0|2,0,0]=4 47 B12R1.114 CCNc1ccc(cc1O)OC AIFCHEM-94537421384 [1,1,0,0,0,0|2,0,0]=4 48 B12R1.116 CC=Cc1ccc(nc1)OCC AIFCHEM-6353407578 [1,1,0,0,0,0|2,0,0]=4 49 B12R1.116 CCNc1ccc(cc1)OCC AIFCHEM-94537423900 [1,1,0,0,0,0|2,0,0]=4 50 B12R1.288 CC=Cc1cc(=O)c(c[nH]1)OC AIFCHEM-6294545198 [1,1,0,0,0,0|2,0,0]=4 51 B12R1.288 CC=Cc1cc(c(cn1)OC)N AIFCHEM-6334757480 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.288 CC=Cc1ccc(c(c1)F)NC AIFCHEM-5767755365 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.288 CCNc1ccc(c(c1)Br)OC AIFCHEM-94537417464 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.288 CCNc1ccc(c(c1)C)OC AIFCHEM-94537414806 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.288 CCNc1ccc(c(c1)Cl)OC AIFCHEM-94537422558 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.288 CCNc1ccc(c(c1)F)OC AIFCHEM-94537420801 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.288 CCNc1ccc(c(c1)I)OC AIFCHEM-94537425038 [1,1,0,0,0,0|2,0,0]=4 58 B12R1.288 CCNc1ccc(c(c1)O)OC AIFCHEM-94537416616 [1,1,0,0,0,0|2,0,0]=4 59 B12R1.179 CC=Cc1ccc([nH]1)C(=O)OC AIFCHEM-6303655697 [0,1,0,0,1,0|2,0,0]=4 60 B12R1.179 CC=Cc1ccc(o1)C(=O)OC AIFCHEM-6288960479 [0,1,0,0,1,0|2,0,0]=4 61 B14R1.3 CCc1ccc(cc1)NC(=O)C(C)C AIFCHEM-94545050272 [0,1,0,0,0,1|2,0,0]=4 62 B14R1.3 COc1ccc(nc1)NC(=O)C(C)C AIFCHEM-94545040564 [0,1,0,0,0,1|2,0,0]=4 63 B14R1.7 C#CC(=O)N(C)c1ccc(cc1)OC AIFCHEM-94525190960 [0,1,0,0,0,1|1,0,1]=4 64 B14R1.24 C#CC(=O)Nc1ccc(cc1)OCC AIFCHEM-94525200807 [0,1,0,0,0,1|1,0,1]=4 65 B14R1.24 CC=Cc1ccc(cc1)NC(=O)CC AIFCHEM-98308197729 [0,1,0,0,0,1|2,0,0]=4 66 B14R1.24 CC=Cc1ccc(nc1)CC(=O)OC AIFCHEM-6430372923 [0,1,0,0,0,1|2,0,0]=4 67 B14R1.24 CCC(=O)Nc1ccc(cc1)COC AIFCHEM-94526510598 [0,1,0,0,0,1|1,0,0]=3 68 B14R1.24 CCCc1ccc(cc1)NC(=O)CC AIFCHEM-94535645846 [0,1,0,0,0,1|2,0,0]=4 69 B14R1.954 C#CCC(=O)Nc1ccc(cc1)OC AIFCHEM-94577710243 [0,1,0,0,0,1|1,0,1]=4 70 B14R1.954 CC#CC(=O)Nc1ccc(cc1)SC AIFCHEM-5795155622 [0,1,0,0,0,1|1,1,0]=4 71 B14R1.954 CC#CC(=O)Nc1ccc(nc1)OC AIFCHEM-5606758437 [0,1,0,0,0,1|2,0,0]=4 72 B14R1.954 COCC(=O)Nc1ccc(cn1)SC AIFCHEM-6200863476 [0,1,0,0,0,1|1,1,0]=4 73 B14R1.2879 CCC(=O)Nc1ccc(cc1)N(C)C AIFCHEM-94533793599 [0,1,0,0,0,1|2,0,0]=4 74 B14R1.3276 C#CC(=O)Nc1ccc(c(c1)Br)OC AIFCHEM-94525195633 [0,1,0,0,0,1|1,0,1]=4 75 B14R1.3276 C#CC(=O)Nc1ccc(c(c1)O)OC AIFCHEM-94525194917 [0,1,0,0,0,1|1,0,1]=4 76 B14R1.3276 CCC(=O)Nc1ccc(c(c1)Cl)CC AIFCHEM-94526507897 [0,1,0,0,0,1|2,0,0]=4 77 B14R1.3276 CCC(=O)Nc1ccc(c(c1)Cl)OC AIFCHEM-94526508175 [0,1,0,0,0,1|1,0,0]=3 78 B14R1.3276 CCC(=O)Nc1ccc(c(c1)F)OC AIFCHEM-94526506767 [0,1,0,0,0,1|1,0,0]=3 79 B14R1.3276 CCC(=O)Nc1ccc(c(c1)F)SC AIFCHEM-94526504620 [0,1,0,0,0,1|1,1,0]=4 80 B14R1.3276 CCC(=O)Nc1ccc(c(c1)I)OC AIFCHEM-94526510153 [0,1,0,0,0,1|1,0,0]=3 81 B14R1.3714 C#CC(=O)Nc1ccc(cc1Br)OC AIFCHEM-94525197839 [0,1,0,0,0,1|1,0,1]=4 82 B14R1.3714 C#CC(=O)Nc1ccc(cc1Cl)OC AIFCHEM-94525197526 [0,1,0,0,0,1|1,0,1]=4 83 B14R1.3714 C#CC(=O)Nc1ccc(cc1O)OC AIFCHEM-94525198783 [0,1,0,0,0,1|1,0,1]=4 84 B14R1.3714 CCC(=O)Nc1ccc(cc1C)OC AIFCHEM-94526499083 [0,1,0,0,0,1|1,0,0]=3 85 B14R1.3714 CCC(=O)Nc1cnc(cc1C)OC AIFCHEM-94526509487 [0,1,0,0,0,1|2,0,0]=4 86 B14R1.3714 COc1ccc(c(c1)F)NC(=O)CO AIFCHEM-94532682806 [0,1,0,0,0,1|2,0,0]=4 87 B14R1.8 CCN(C(=O)C)c1ccc(cc1)OC AIFCHEM-98288965083 [0,2,0,0,0,0|2,0,0]=4 88 B14R1.141 CC=Cc1ccc(cc1)C(=O)N(C)C AIFCHEM-6300007736 [0,2,0,0,0,0|2,0,0]=4 89 B14R1.487 CC=Cc1ccc(c(=O)[nH]1)C(=O)OC AIFCHEM-6384295029 [0,2,0,0,0,0|2,0,0]=4 90 B14R1.487 CC=Cc1ccc(c(c1)N)C(=O)OC AIFCHEM-5731249684 [0,2,0,0,0,0|1,0,0]=3 91 B14R1.487 CC=Cc1ccc(c(n1)C)C(=O)OC AIFCHEM-6358258660 [0,2,0,0,0,0|2,0,0]=4 92 B14R1.487 CC=Cc1ccc(c(n1)N)C(=O)OC AIFCHEM-6296606560 [0,2,0,0,0,0|2,0,0]=4 93 B14R1.487 CCNc1cc(c(cn1)C(=O)OC)C AIFCHEM-94537417023 [0,2,0,0,0,0|2,0,0]=4 94 B14R1.487 CCNc1ccc(c(c1)Cl)C(=O)OC AIFCHEM-94537421856 [0,2,0,0,0,0|1,0,0]=3 95 B14R1.2316 C/C=C(\C)/c1ccc(c(c1F)N)OC AIFCHEM-94584213480 [0,2,0,0,0,0|2,0,0]=4 96 B14R1.2316 C/C=C(\C)/c1ccc(c(c1O)O)OC AIFCHEM-94584220347 [0,2,0,0,0,0|2,0,0]=4 97 B14R1.2334 C/C=C(\C)/c1ccc(cc1C=O)OC AIFCHEM-94584221621 [0,2,0,0,0,0|2,0,0]=4 98 B14R1.65 C/C=C(\C)/c1ccc(cc1)OCC#N AIFCHEM-94584218162 [0,2,0,0,0,0|2,0,0]=4 99 B14R1.65 C/C=C(\C)/c1ccc(cc1)OCCC AIFCHEM-94555409216 [0,2,0,0,0,0|2,0,0]=4 100 B14R1.65 C/C=C(\C)/c1ccc(cc1)OCOC AIFCHEM-94584216468 [0,2,0,0,0,0|2,0,0]=4 101 B14R1.65 CCCNc1ccc(cn1)C(=O)OC AIFCHEM-94569017805 [0,2,0,0,0,0|2,0,0]=4 102 B14R1.65 CCNCc1ccc(cc1)C(=O)NC AIFCHEM-94537412538 [0,2,0,0,0,0|2,0,0]=4 103 B14R1.65 CCNCc1ccc(cc1)C(=O)OC AIFCHEM-94537423663 [0,2,0,0,0,0|1,0,0]=3 104 B14R1.718 C/C=C(\C)/c1ccc(cc1)C(=O)OC AIFCHEM-94584220381 [0,2,0,0,0,0|1,0,0]=3 105 B14R1.6720 CC=Cc1ccc(cc1F)C(=O)NC AIFCHEM-6367807367 [0,2,0,0,0,0|2,0,0]=4 106 B14R1.6720 CC=Cc1ccc(nc1C)C(=O)OC AIFCHEM-6362628622 [0,2,0,0,0,0|2,0,0]=4 107 B14R1.6720 CCNc1ccc(cc1C)C(=O)NC AIFCHEM-94537427181 [0,2,0,0,0,0|2,0,0]=4 108 B14R1.6720 CCNc1ccc(nc1Br)C(=O)OC AIFCHEM-94537425541 [0,2,0,0,0,0|2,0,0]=4 109 B14R1.2 COc1ccc(cc1)C(=O)NC(C)C AIFCHEM-94520542936 [0,2,0,0,0,0|1,0,0]=3 110 B14R1.2 COc1ccc(cn1)C(=O)NC(C)C AIFCHEM-94520550541 [0,2,0,0,0,0|2,0,0]=4 111 B14R1.926 CCCNC(=O)c1ccc(cc1)OC AIFCHEM-5853736664 [0,2,0,0,0,0|1,0,0]=3 112 B14R1.926 CCCNC(=O)c1ccc(cn1)OC AIFCHEM-94521377240 [0,2,0,0,0,0|2,0,0]=4 113 B14R1.1864 C/C=C(\C)/c1ccc(c(c1)C#N)OC AIFCHEM-94584213166 [0,2,0,0,0,0|2,0,0]=4 114 B14R1.1864 C/C=C(\C)/c1ccc(c(c1)CN)OC AIFCHEM-94584214067 [0,2,0,0,0,0|2,0,0]=4 115 B14R1.1864 C/C=C(\C)/c1ccc(c(c1)CO)OC AIFCHEM-94584222054 [0,2,0,0,0,0|2,0,0]=4 116 B14R1.12512 C/C=C(\C)/c1cc(c(c(c1)C)OC)C AIFCHEM-94584213324 [0,2,0,0,0,0|2,0,0]=4 117 B12R2.143 CC=Cc1ccc2c(c1)CC2 AIFCHEM-6307603872 [1,0,0,1,0,0|2,0,0]=4 118 B14R2.331 COc1ccc(cc1)C=C2CCC2 AIFCHEM-94553274097 [0,0,0,1,0,1|2,0,0]=4 119 B14R2.1 COc1ccc(cc1)C2=CCCC2 AIFCHEM-94553274362 [0,1,0,1,0,0|2,0,0]=4 120 B14R2.1 COc1ccc(cc1)c2ccon2 AIFCHEM-6444949374 [0,1,0,1,0,0|1,0,1]=4 121 B14R2.1 COc1ccc(cn1)C2=COCC2 AIFCHEM-6386169624 [0,1,0,1,0,0|2,0,0]=4 122 B14R2.966 C/C=C(\C)/c1ccc2c(c1)COC2 AIFCHEM-94584215875 [0,1,0,1,0,0|2,0,0]=4 123 B12R1.49 C#CC(=O)Nc1ccc(cc1)O AIFCHEM-94525200720 [1,0,0,0,0,1|1,0,1]=4 124 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl AIFCHEM-94526499445 [1,0,0,0,0,1|2,0,0]=4 125 B12R1.49 CCC(=O)Nc1ccc(cn1)O AIFCHEM-94526508419 [1,0,0,0,0,1|2,0,0]=4 126 B12R1.49 O=C(CO)Nc1ccc(cc1)O AIFCHEM-94532676141 [1,0,0,0,0,1|2,0,0]=4 127 B12R1.435 C/C=C(\C)/c1cc(ccn1)OC AIFCHEM-94584223333 [0,0,0,0,1,1|2,0,0]=4 128 B12R1.435 C/C=C(\C)/c1cccc(c1)OC AIFCHEM-94584221738 [0,0,0,0,1,1|2,0,0]=4 129 B12R1.435 C/C=C(\C)/c1cncc(c1)OC AIFCHEM-94584219095 [0,0,0,0,1,1|2,0,0]=4 130 B14R1.5 C#CC(=O)NCc1ccc(cc1)OC AIFCHEM-94525196876 [0,0,0,0,0,2|1,0,1]=4 131 B14R1.5 CCC(=O)NCc1ccc(cc1)SC AIFCHEM-94526510727 [0,0,0,0,0,2|1,1,0]=4