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["ID","Name","MF","pIC50","Pc","DPLL","Homo","HF","H","CLogPMR","TIndx","VP","WIndx"]
[1,"N-phenylquinazolin-4-amine","C14H12N3",6.46,36.50934183,3.535452501,-8.311517452,439.42,8.6435,6.834300041,4126,0,518]
[3,"N-(3-bromophenyl)quinazolin-4-amine","C14H11BrN3",7.57,39.01371761,2.069809245,-8.478277418,454.28,9.0432,7.611299515,4563,0,608]
[4,"N-(3-(trifluoromethyl)phenyl)quinazolin-4-amine","C15H11F3N3",6.24,28.23324272,1.327738193,-8.609530081,-189.77,7.7045,7.344599724,6420,0,938]
[6,"N-(3-bromophenyl)-6-methoxyquinazolin-4-amine","C15H13BrN3O",6.45,33.45106995,2.489578802,-8.197504616,289.95,10.2712,8.228199959,5951,0,815]
[7,"N-(3-bromophenyl)-7-nitroquinazolin-4-amine","C14H10BrN4O2",6,0,6.156116221,-9.072848107,0,8.3631,8.222799301,6585,0,954]
[9,"N-(3-fluorophenyl)quinazolin-4-amine","C14H11FN3",7.25,33.99943901,2.073211737,-8.454748029,231.84,8.5764,6.84980011,4563,0,608]
[10,"6-methoxy-N-phenylquinazolin-4-amine","C15H14N3O",7.25,31.4555522,3.138162534,-8.029711923,275.09,9.8715,7.451199532,5437,0,706]
[12,"N4-(3-(trifluoromethyl)phenyl)quinazoline-4,6-diamine","C15H14F3N4",6.24,29.536862,3.781011365,-7.850028769,-167.45,11.1562,7.713299751,7190,0,1062]
[14,"N-(3-fluorophenyl)-7-nitroquinazolin-4-amine","C14H10FN4O2",5.21,0,6.082051611,-9.061448977,0,8.3631,7.461299896,6585,0,954]
[16,"N-(3-iodophenyl)-7-nitroquinazolin-4-amine","C14H10IN4O2",6.26,0,6.119721743,-9.081730003,0,8.3631,8.752199173,6585,0,954]
[18,"N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine","C16H15ClN3O2",9.5,25.95131689,2.297459503,-8.192759067,83.55,11.2297,8.559499741,7543,0,1054]
[20,"N4-(3-bromophenyl)-N6-methylquinazoline-4,6-diamine","C15H15BrN4",8.39,34.6428204,3.965162652,-7.663952071,475.64,12.1524,8.443799973,6048,0,815]
[21,"N4-(3-bromophenyl)-N6,N6-dimethylquinazoline-4,6-diamine","C16H16BrN4",7.07,30.52409878,4.669709327,-7.471200253,469.06,11.8099,8.907599449,6926,0,930]
[22,"methyl 4-(3-bromophenylamino)quinazolin-6-ylcarbamate","C16H15BrN4O2",7.92,31.21001217,0.898965762,-8.230772034,137.72,14.4353,9.096399307,8743,0,1240]
[23,"4-(3-bromophenylamino)quinazolin-7-ol","C14H12BrN3O",8.32,47.43148996,1.185975752,-8.561749016,276.97,13.026,7.764399529,5135,0,710]
[24,"N4-(3-bromophenyl)-N7-methylquinazoline-4,7-diamine","C15H15BrN4",8.15,34.6428204,3.60781198,-8.255012617,475.64,12.1524,8.443799973,6160,0,831]
[26,"N4-(3-bromophenyl)-N7,N7-dimethylquinazoline-4,7-diamine","C16H16BrN4",7.95,30.52409878,3.868349417,-8.216704444,469.06,11.8099,8.907599449,7098,0,954]
[28,"N4-(3-bromophenyl)-N7,N7-dimethylquinazoline-4,6,7-triamine","C16H19BrN5",6.79,31.99156446,6.435437716,-7.483977631,491.38,15.2616,9.276299477,7795,0,1059]
[30,"N4-(3-bromophenyl)-7-chloroquinazoline-4,6-diamine","C14H13BrClN4",8.18,38.53087922,3.470186606,-7.879771921,449.39,12.6251,8.471400261,5667,0,807]
[31,"N-(3-bromophenyl)-7-methoxy-6-nitroquinazolin-4-amine","C15H12BrN4O3",7.82,0,3.143254333,-7.925814737,0,8.2536,8.839699745,8070,0,1178]
[32,"N-(3-bromophenyl)-7-chloro-6-nitroquinazolin-4-amine","C14H9BrClN4O2",7.6,0,2.968550589,-8.048346224,0,8.2536,8.714199066,6949,0,1043]
[34,"6,7-dimethoxy-N-p-tolylquinazolin-4-amine","C17H18N3O2",9.01,24.45894371,2.532400254,-7.998001396,78.65,11.0566,8.531899452,8049,0,1069]
[35,"N-(3-bromophenyl)pyrido[3,2-d]pyrimidin-4-amine","C13H10BrN4",7.46,44.2083522,3.644436309,-8.692910293,507.71,11.9263,7.40019989,4497,0,608]
[36,"N4-(3-bromophenyl)pyrido[3,2-d]pyrimidine-4,6-diamine","C13H13BrN5",8.11,46.78485144,6.431273469,-8.186563085,530.03,15.378,7.768899918,5118,0,702]
[37,"N-(3-bromophenyl)-6-chloropyrido[3,2-d]pyrimidin-4-amine","C13H9BrClN4",7.74,41.30292557,3.082684795,-8.787721205,480.5,12.0565,7.891599655,4928,0,702]
[39,"N4-(3-bromophenyl)-N6-methylpyrido[3,2-d]pyrimidine-4,6-diamine","C14H14BrN5",8.5,38.96502655,5.770647778,-8.307154116,529.07,15.0355,8.232699394,5977,0,815]
[42,"N-(4-(3-bromophenylamino)pyrido[4,3-d]pyrimidin-7-yl)acetamide","C15H14BrN5O",7.53,39.01371761,5.382706117,-8.840749911,342.75,17.8672,8.732199669,7949,0,1115]
[43,"N-(3-bromophenyl)-7-fluoropyrido[4,3-d]pyrimidin-4-amine","C13H9BrFN4",7.88,40.8814699,0.291473166,-9.15424389,300.13,11.8592,7.415699959,4952,0,710]
[44,"N-(3-bromophenyl)-7-methoxypyrido[4,3-d]pyrimidin-4-amine","C14H12BrN4O",7.4,37.54565552,2.421521948,-9.00512047,343.38,13.1543,8.01709938,5972,0,831]
[47,"N4-(3-bromophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine","C13H13BrN5",8,46.78485144,4.940176744,-8.796011393,530.03,15.378,7.768899918,5158,0,710]
[49,"N4-(2-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine","C14H16N5O",5.43,36.99954417,3.54834277,-8.329584095,350.84,16.2063,7.608799934,6016,0,805]
[52,"N4-(2-aminophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine","C13H17N6",5.27,46.02619074,5.325278731,-7.770903915,537.49,18.43,7.360599518,5281,0,698]
[53,"N4-(3-(dimethylamino)phenyl)pyrido[4,3-d]pyrimidine-4,7-diamine","C15H19N6",5.74,33.60638521,4.086557813,-7.719968132,529.95,17.745,8.288199425,7210,0,950]
[54,"N4-(4-(dimethylamino)phenyl)pyrido[4,3-d]pyrimidine-4,7-diamine","C15H19N6",5.31,33.60638521,2.065170747,-7.373212258,529.95,17.745,8.288199425,7471,0,986]
[55,"N4-(3-fluorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine","C13H13FN5",6.07,40.2612796,4.907096261,-8.766751187,307.59,14.9112,7.007399559,5158,0,710]
[58,"N-(3-bromophenyl)pyrido[3,4-d]pyrimidin-4-amine","C13H10BrN4",7.29,44.2083522,1.313295637,-8.958789709,507.71,11.9263,7.40019989,4477,0,608]
[59,"N-(3-bromophenyl)-6-chloropyrido[3,4-d]pyrimidin-4-amine","C13H9BrClN4",7.39,41.30292557,0.49148684,-9.033394325,480.5,12.0565,7.891599655,4908,0,702]
[60,"N-(3-bromophenyl)-6-fluoropyrido[3,4-d]pyrimidin-4-amine","C13H9BrFN4",6.9,40.8814699,0.359006408,-9.016423296,300.13,11.8592,7.415699959,4908,0,702]
[61,"N-(3-bromophenyl)-6-methoxypyrido[3,4-d]pyrimidin-4-amine","C14H12BrN4O",8.58,37.54565552,2.527491201,-8.750514237,343.38,13.1543,8.01709938,5860,0,815]
[62,"N4-(3-bromophenyl)-N6-(4-methoxyphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine","C20H18BrN5O",8.63,28.32346874,1.488133441,-8.075182843,498.07,16.8642,10.89699936,14675,0,2012]
[64,"N4-(3-bromophenyl)pyrido[2,3-d]pyrimidine-4,7-diamine","C13H13BrN5",6.02,46.78485144,5.337901422,-8.795488018,530.03,15.378,7.768899918,5162,0,710]
[65,"N4-(3-bromophenyl)-N7-methylpyrido[2,3-d]pyrimidine-4,7-diamine","C14H14BrN5",7.28,38.96502655,4.546781626,-8.865203206,529.07,15.0355,8.232699394,6081,0,831]
[66,"N4-(3-bromophenyl)-N7,N7-dimethylpyrido[2,3-d]pyrimidine-4,7-diamine","C15H15BrN5",6.48,34.07887692,5.525925144,-8.730731404,522.49,14.693,8.696499825,7016,0,954]
[67,"N-(3-bromophenyl)-7-methoxypyrido[2,3-d]pyrimidin-4-amine","C14H12BrN4O",6.58,37.54565552,2.868896766,-9.049170288,343.38,13.1543,8.01709938,5976,0,831]
[69,"N-(3-bromophenyl)-6-chloropyrimido[5,4-d]pyrimidin-4-amine","C12H8BrClN5",7.08,46.97744754,1.051746768,-9.007315606,533.93,14.9396,7.680500031,4840,0,702]
[70,"N4-(3-bromophenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine","C12H12BrN6",8.82,53.67038334,4.379641621,-8.422048964,583.46,18.2611,7.557800293,5030,0,702]
[71,"N8-(3-bromophenyl)-N2-methylpyrimido[5,4-d]pyrimidine-2,8-diamine","C13H13BrN6",9.11,44.14962307,1.988190728,-8.095402316,582.5,17.9186,8.02159977,5886,0,815]
[73,"N-(3-bromophenyl)-6-methoxypyrimido[5,4-d]pyrimidin-4-amine","C13H11BrN5O",8.42,42.4407686,3.143803339,-8.754427332,396.81,16.0374,7.805999756,5789,0,815]
[75,"N8-(3-bromophenyl)-N2-(3-morpholinopropyl)pyrimido[5,4-d]pyrimidine-2,8-diamine","C19H24BrN7O",8.53,28.32346874,1.610622424,-8.081788935,475.01,26.5384,11.1487999,17098,0,2383]
[76,"N2-(2-(1H-imidazol-1-yl)ethyl)-N8-(3-bromophenyl)pyrimido[5,4-d]pyrimidine-2,8-diamine","C17H17BrN8",8.63,0,3.356563909,-8.350281653,0,20.6546,10.21500015,13444,0,1859]
[77,"6-chloro-N-(m-tolyl)pyrimido[5,4-d]pyrimidin-4-amine","C13H11ClN5",6.42,37.91647456,1.143168095,-8.757241417,486.96,14.497,7.367300034,5140,0,702]
[79,"N2-methyl-N8-(m-tolyl)pyrimido[5,4-d]pyrimidine-2,8-diamine","C14H16N6",8.36,35.85643085,2.830756271,-7.862534285,535.53,17.476,7.708399773,6216,0,815]
[80,"N2-(2-morpholinoethyl)-N8-(m-tolyl)pyrimido[5,4-d]pyrimidine-2,8-diamine","C19H25N7O",8.63,26.35251656,2.587288471,-7.87162338,448.68,26.2189,10.37180042,15535,0,2088]
[81,"N-(3-chloro-4-((3-fluorobenzyl)oxy)phenyl)-6-methyl-5-(phenylethynyl)pyrimidin-4-amine","C26H20ClFN3O",6.19,17.52135547,0.248913003,-7.61606868,356.08,5.9883,12.63309956,25396,1.25,3446]
[82,"N-(3-chloro-4-((3-fluorobenzyl)oxy)phenyl)-5-((4-((isopropylamino)methyl)phenyl)ethynyl)-6-methylpyrimidin-4-amine","C30H30ClFN4O",8.52,13.06115796,1.283241713,-7.561430712,310.24,5.9883,14.8569994,39860,1.25,5402]
[83,"N-(3-chloro-4-((3-fluorobenzyl)oxy)phenyl)-6-methyl-5-((4-(pyrrolidin-1-ylmethyl)phenyl)ethynyl)pyrimidin-4-amine","C31H29ClFN4O",8.05,13.73776583,1.703984195,-7.474482751,395.92,5.9883,15.14339924,42917,1.25,5804]
[84,"N-(3-chloro-4-((3-fluorobenzyl)oxy)phenyl)-5-((3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl)ethynyl)-6-methylpyrimidin-4-amine","C31H28ClF2N4O",6.72,13.14654028,2.817349848,-7.653491831,188.34,5.9883,15.15889931,44443,1.25,6137]
[85,"N-(3-chloro-4-((3-fluorobenzyl)oxy)phenyl)-6-methyl-5-((5-(pyrrolidin-1-ylmethyl)furan-2-yl)ethynyl)pyrimidin-4-amine","C29H27ClFN4O2",7.1,15.06982755,1.51689795,-7.753036917,253.58,5.9883,14.50929928,38674,1.25,5312]
[88,"N-(3-chloro-4-((3-fluorobenzyl)oxy)phenyl)pyrimidin-4-amine","C17H14ClFN3O",6.04,25.3537096,0.560828697,-8.785508848,55.95,10.0171,8.781299591,9964,1.25,1400]
[89,"N-(3-chloro-4-((3-fluorobenzyl)oxy)phenyl)-6-methylpyrimidin-4-amine","C18H16ClFN3O",5.94,22.74066388,0.246528131,-8.733161212,23.84,9.9742,9.245100021,11270,1.25,1574]
[90,"N-(3-chloro-4-((3-fluorobenzyl)oxy)phenyl)-6-(pyridin-3-yl)pyrimidin-4-amine","C22H17ClFN4O",4.33,21.65345337,2.855019883,-8.991160845,210.6,14.0148,11.08139896,19350,1.25,2678]
[92,"N-(3-chloro-4-((3-fluorobenzyl)oxy)phenyl)-6-phenoxypyrimidin-4-amine","C23H18ClFN3O2",5,19.52679164,1.546932187,-8.868348857,24.95,11.6773,11.44559956,21663,1.25,3005]
[93,"(E)-4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)-6-methylpyrimidine-5-carbaldehyde O-(2-morpholinoethyl) oxime","C25H28ClFN5O3",7.17,13.67686706,2.160530713,-8.031281115,-165.76,8.2175,13.48449993,33031,1.25,4692]
[94,"(E)-4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)-6-methylpyrimidine-5-carbaldehyde O-(3-morpholinopropyl) oxime","C26H30ClFN5O3",7.19,12.75510204,2.837276026,-8.016390114,-186.4,8.2175,13.94830036,36581,1.25,5176]
[95,"N-(3-chloro-4-((3-fluorobenzyl)oxy)phenyl)-6-methyl-5-(3-(morpholinomethyl)phenyl)pyrimidin-4-amine","C29H29ClFN4O2",6.23,14.23994304,3.232625366,-7.317996606,26.74,16.5119,14.41969872,36128,1.25,4998]
[97,"N-(1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl)-1,3-dimethyl-1H-pyrazole-4-carboxamide","C16H16ClFN5O",4.14,0,6.864405073,-7.323983611,0,0,8.914299965,10379,1.25,1486]
[98,"N-(3-chloro-4-((3-fluorobenzyl)oxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)furan-2-yl)quinazolin-4-amine","C29H28ClFN4O4S",8.05,13.12749422,7.306205662,-8.035868434,71.31,16.1514,15.29080009,47734,1.25,6645]
[99,"N-(3-((6-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)pyrimidin-4-yl)oxy)phenyl)acetamide","C25H22ClFN4O3",6.97,17.95461074,7.580852033,-8.355616713,-140.01,17.6182,12.77760029,30444,1.25,4304]
[100,"N-(3-((6-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)pyrimidin-4-yl)oxy)phenyl)-2-(2,4,5-trifluorophenyl)acetamide","C31H23ClF4N4O3",6.2,12.89286992,6.964508128,-8.381477406,-650.06,18.5098,15.33530045,57116,1.25,8456]
["ZINC_A1","(1R,3R)-3-((2-hydroxy-2,2-diphenylacetoxy)methyl)-1-methylpyrrolidinium","C20H26NO3+",null,0,21.77686958,-11.96270516,0,0,9.532100677,10232,90.911751,1323]
["ZINC_A10","(1r,4r)-1-((1H-pyrrolo[2,3-b]pyridin-3-yl)methyl)-4-phenethylpiperidinium","C21H28N3+",null,0,6.163575732,-11.55502181,0,0,10.42400074,13058,90.911751,1690]
["ZINC_A101","(1r,4r)-1-(2-(1,3-dioxoisoindolin-2-yl)ethyl)-4-(1-methyl-1H-indol-4-yloxy)piperidinium","C24H27N3O3+",null,20.10899073,3.055820841,-8.776661586,-208,9.9208,10.19219971,14048,90.911751,1838]
["ZINC_A103","1-(2-(4,5-diphenyl-4H-1,2,4-triazol-3-ylthio)ethyl)piperidinium","C21H26N4S+",null,23.247834,3.784399211,-9.261940499,-27.17,14.861,8.984100342,10131,90.911751,1346]
["ZINC_A104","1-(2-(((3-cyano-1-methyl-1H-indol-2-yl)methyl)(phenyl)amino)-2-oxoethyl)pyrrolidinium","C23H26N4O+",null,0,9.12095672,-11.60860371,0,0,10.25650024,13057,90.911751,1662]
["ZINC_A106","4-(2-(4-phenyl-5-p-tolyl-4H-1,2,4-triazol-3-ylthio)ethyl)morpholin-4-ium","C21H26N4OS+",null,0,9.259348723,-12.07150527,0,0,9.463299751,10812,90.911751,1404]
["ZINC_A108","3-amino-7-ethoxy-N,N-diethylthieno[2,3-b]quinoline-2-carboxamide","C18H23N3O2S",null,0,21.89414663,-11.22235924,0,0,10.42400074,13884,90.911751,1775]
["ZINC_A109","(3-amino-7-ethoxythieno[2,3-b]quinolin-2-yl)(p-tolyl)methanone","C21H20N2O2S",null,0,14.57165648,-12.30662817,0,0.0635,10.07580185,11628,90.911751,1540]
["ZINC_A110","(3-amino-7-ethoxythieno[2,3-b]quinolin-2-yl)(2,5-dimethoxyphenyl)methanone","C22H22N2O4S",null,0,25.6029363,-10.46211098,0,0,9.333399773,9489,90.911751,1260]
["ZINC_A111","1-(2-(4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-ylthio)ethyl)piperidinium","C20H25N5S+",null,0,10.44728421,-11.32141806,0,0,10.52220058,14240,90.911751,1818]
["ZINC_A112","1-(3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl)-4-(2-fluorophenyl)piperazin-1-ium","C22H29FN3O+",null,0,3.457752089,-11.42255358,0,0,9.688000679,13376,90.911751,1851]
["ZINC_A113","1-(3-(2,5-dimethylphenylamino)-3-oxopropyl)-4-(2-fluorophenyl)piperazin-1-ium","C21H29FN3O+",null,21.63331531,5.574499294,-7.335103528,40.89,15.8374,9.835400581,10020,90.911751,1353]
["ZINC_A114","1-(2-(5-(pyridin-3-yl)-4-p-tolyl-4H-1,2,4-triazol-3-ylthio)ethyl)piperidinium","C21H27N5S+",null,0,2.211986646,-11.20948672,0,0,11.25070095,15825,90.911751,2095]
["ZINC_A116","(3-amino-7-methylthieno[2,3-b]quinolin-2-yl)(2,5-dimethoxyphenyl)methanone","C21H20N2O3S",null,0,5.765969167,-10.47301038,0,0,11.40680027,18680,90.911751,2390]
["ZINC_A118","(3-amino-6-methylthieno[2,3-b]quinolin-2-yl)(2,5-dimethoxyphenyl)methanone","C21H20N2O3S",null,0,6.047205855,-11.56893811,0,0,10.6753006,14427,90.911751,1866]
["ZINC_A119","(3-amino-6-ethoxythieno[2,3-b]quinolin-2-yl)(3,4-dihydroquinolin-1(2H)-yl)methanone","C23H23N3O2S",null,0,4.96492634,-11.27258038,0,0,10.2850008,15420,90.911751,2148]
["ZINC_A12","(1R,4aS,10aR)-6-hydroxy-1-methyl-3-((pyridin-2-yloxy)methyl)-1,2,4a,5,10,10a-hexahydrobenzo[g]quinolinium","C20H25N2O2+",null,0,3.465637308,-7.314245264,0,12.1881,11.78520107,16084,90.911751,2164]
["ZINC_A123","(1r,4r)-1-benzyl-4-(2-methylimidazo[1,2-a]pyridine-3-carboxamido)piperidinium","C21H30N4O+",null,21.69381394,10.12870708,-7.751713363,29.1,15.2808,11.09899998,15815,90.911751,2143]
["ZINC_A124","(1r,4r)-1-benzyl-4-(7-methylimidazo[1,2-a]pyridine-2-carboxamido)piperidinium","C21H30N4O+",null,21.69381394,9.903844563,-7.694656868,29.1,15.2808,11.09899998,16059,90.911751,2181]
["ZINC_A125","3-(benzyl(2-hydroxyethyl)amino)-4-chloro-1-(2,3-dimethylphenyl)-1H-pyrrole-2,5-dione","C21H22ClN2O3",null,20.47460126,6.784224489,-6.934060279,12.07,12.7157,10.57630062,12443,90.911751,1648]
["ZINC_A126","N-ethyl-N-((7-hydroxy-3-(1-methyl-1H-benzo[d]imidazol-2-yl)-2-oxo-2H-chromen-8-yl)methyl)ethanaminium","C22H26N3O3+",null,20.47460126,9.00714368,-7.726945433,12.07,12.7157,10.57630062,12683,90.911751,1684]
["ZINC_A135","(3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl)(4-methoxyphenyl)methanone","C22H20N2O3S",null,20.47460126,9.042712118,-7.730470646,12.07,12.7157,10.57630062,12683,90.911751,1684]
["ZINC_A136","(3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl)(p-tolyl)methanone","C18H20N2O2S",null,21.69381394,7.890162142,-7.700570714,29.1,15.2808,11.09899998,15775,90.911751,2131]
["ZINC_A138","1-(2-(5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-ylthio)ethyl)piperidinium","C19H24N4OS+",null,18.53111625,5.377455217,-8.065762136,-465.98,0,10.43820095,11873,90.911751,1604]
["ZINC_A141","(S)-N,N-diethyl-2-(4-oxo-3-p-tolyl-1,2,3,4-tetrahydroquinazolin-2-ylthio)ethanaminium","C21H30N3OS+",null,20.41912709,7.178709449,-7.340406177,219.68,17.0155,11.77839947,15814,90.911751,2100]
["ZINC_A144","(3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-2-yl)(3,4-dimethoxyphenyl)methanone","C23H22N2O4S",null,0,4.666172996,-11.27166271,0,0,10.17129993,13530,90.911751,1843]
["ZINC_A145","ethyl 3-amino-4-(furan-2-yl)-6-p-tolylfuro[2,3-b]pyridine-2-carboxylate","C21H20N2O4",null,0,10.87279356,-11.30147967,0,0,10.36460114,15904,90.911751,2105]
["ZINC_A147","ethyl 3-amino-4-(furan-2-yl)-6-p-tolylfuro[2,3-b]pyridine-2-carboxylate","C21H20N2O4",null,0,9.023093509,-11.30223484,0,0,11.6420002,19822,90.911751,2529]
["ZINC_A148","(R)-3-(2-phenylhydrazinyl)-1-(4-(piperidin-1-yl)phenyl)pyrrolidine-2,5-dione","C21H26N4O2",null,0,6.813139259,-11.42755205,0,0,10.36460114,14805,90.911751,1982]
["ZINC_A149","(1S,2R,6R)-2-((R)-2-hydroxy-2-phenylethyl)-1-methyl-6-(2-oxo-2-phenylethyl)piperidinium","C22H30NO2+",null,0,17.5173739,-9.967980327,0,0,10.61840057,13672,90.911751,1760]
["ZINC_A150","(5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)(4-methoxyphenyl)methanone","C21H19N3O2S",null,24.10004991,10.5996427,-7.560212841,153.54,16.7276,10.01740074,10670,90.911751,1431]
["ZINC_A155","4-(4-acetylphenyl)-1-(4-(methoxycarbonyl)benzyl)piperazin-1-ium","C21H26N2O3+",null,0,20.33725668,-10.46876032,0,0,11.74540043,15758,90.911751,2032]
["ZINC_A16","(S)-1-(2-hydroxy-3-(4-(2-phenylpropan-2-yl)phenoxy)propyl)pyrrolidinium","C22H32NO2+",null,0,21.62405272,-11.72456747,0,0.1551,10.89520073,14235,90.911751,1806]
["ZINC_A160","4-(4-acetylphenyl)-1-((2-methoxynaphthalen-1-yl)methyl)piperazin-1-ium","C24H28N2O2+",null,0,4.077218107,-10.49616699,0,0,11.65110016,21494,90.911751,2846]
["ZINC_A161","4-(4-acetylphenyl)-1-((4-methoxynaphthalen-1-yl)methyl)piperazin-1-ium","C24H28N2O2+",null,0,22.10696234,-11.13585111,0,0,11.05119896,13710,90.911751,1750]
["ZINC_A164","(3-tert-butyl-6-oxo-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl)-N-(furan-2-ylmethyl)methanaminium","C22H27N4O2+",null,0,8.185985757,-11.13398291,0,0,11.18980026,15144,90.911751,1942]
["ZINC_A165","(3-tert-butyl-6-hydroxy-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-N-(furan-2-ylmethyl)methanaminium","C22H27N4O2+",null,21.63331531,4.715442371,-7.331435961,40.89,15.8374,9.835400581,10048,90.911751,1356]
["ZINC_A167","(3S,5S)-1-((S)-3-(9H-carbazol-9-yl)-2-hydroxypropyl)-3,5-dimethylpiperidinium","C22H31N2O+",null,22.249911,8.639367764,-7.637404101,136.5,13.7826,10.58650017,12976,90.911751,1721]
["ZINC_A168","1-(2-(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-ylthio)ethyl)piperidinium","C21H25N3OS+",null,19.49232246,9.031331985,-6.734466279,-160.05,16.2815,11.35649967,16499,90.911751,2271]
["ZINC_A170","1-(2-(5-cyano-2,4'-bipyridin-6-ylthio)ethyl)piperidinium","C18H22N4S+",null,0,9.61131397,-10.88191996,0,0,10.72900009,17044,90.911751,2253]
["ZINC_A171","2-(5-(benzyloxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl)-N,N-diethylethanaminium","C20H31N2O2+",null,0,7.924354158,-11.0839428,0,0,10.44260025,15110,90.911751,2002]
["ZINC_A172","(1r,4r)-4-benzyl-1-((7-methoxy-2-oxo-2H-chromen-4-yl)methyl)piperidinium","C23H27NO3+",null,0,24.36309063,-11.34350946,0,0,11.30390072,15041,90.911751,1940]
["ZINC_A174","1-methyl-4-(4-(6-phenylpyrimidin-4-ylamino)phenyl)piperazin-1-ium","C21H26N5+",null,21.59312337,6.242587608,-6.953323733,-7.19,15.1337,10.73960018,13369,90.911751,1807]
["ZINC_A175","(E)-5-(1-(azepan-1-ylamino)ethylidene)-3-benzyl-6-hydroxypyrimidine-2,4(3H,5H)-dione","C19H26N4O3",null,21.61320532,9.758788367,-7.640964449,255.89,16.874,11.70539951,16948,90.911751,2252]
["ZINC_A176","4-(furan-2-carbonyl)-1-(2-(naphthalen-1-yloxy)ethyl)piperazin-1-ium","C21H24N2O3+",null,0,5.082996811,-7.148896078,0,0,10.81380081,11526,0,1483]
["ZINC_A177","(R)-1-(3,4-dimethoxyphenethyl)-3-(2-phenylhydrazinyl)pyrrolidine-2,5-dione","C20H25N3O4",null,0,6.252174792,-7.205801621,0,0,10.81380081,11767,0,1515]
["ZINC_A178","(S)-1-(3,4-dimethoxyphenethyl)-3-(2-phenylhydrazinyl)pyrrolidine-2,5-dione","C20H25N3O4",null,20.41912709,7.848269305,-8.164512457,-89.8,7.5086,10.4725008,12959,0,1766]
["ZINC_A179","1-((2-(ethoxycarbonyl)benzofuran-3-yl)methyl)-4-phenylpiperazin-1-ium","C22H26N2O3+",null,23.18072458,9.909078706,-7.699673736,7.350000001,13.5131,9.362299919,8742,88.9135,1168]
["ZINC_A180","2-(3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-ylthio)-N,N-dimethylethanaminium","C19H23N3O2S+",null,0,23.92306542,-10.70890459,0,0.1163,11.2334013,13023,88.9135,1679]
["ZINC_A181","N,N-diethyl-2-(4-oxo-3-o-tolyl-3,4-dihydroquinazolin-2-ylthio)ethanaminium","C21H27N3OS+",null,21.67361956,9.667147254,-8.382400981,-251.4,12.2582,10.02839947,13000,88.9135,1759]
["ZINC_A183","N,N-dimethyl-2-(4-(2-methylbenzo[d]thiazol-6-ylamino)quinazolin-2-yl)ethanaminium","C20H24N5S+",null,21.67361956,9.667147254,-8.382400981,-251.4,12.2582,10.02839947,13000,88.9135,1759]
["ZINC_A184","N,N-dimethyl-2-(4-(2-methylbenzo[d]thiazol-5-ylamino)quinazolin-2-yl)ethanaminium","C20H24N5S+",null,23.72586753,1.713413389,-7.805312416,222.22,13.6157,10.56540108,15780,88.9135,2083]
["ZINC_A185","(1R,3s,5S,8s)-3-(2-hydroxy-2,2-diphenylacetoxy)-8-methyl-8-azonia-bicyclo[3.2.1]octane","C22H27NO3+",null,0,7.139422126,-12.78784031,0,0,10.30660057,12748,88.9135,1634]
["ZINC_A186","(5-hydroxy-3-(4-methoxybenzoyl)naphtho[1,2-b]furan-4-yl)-N,N-dimethylmethanaminium","C23H23NO4+",null,0,12.5386983,-11.40101122,0,0,10.24720097,15201,88.9135,2046]
["ZINC_A187","((3R,5R)-2-methyl-3-phenylisoxazolidin-5-yl)methyl 4-methoxybenzoate","C19H21NO4",null,0,11.226689,-11.28119728,0,0,11.43570042,17420,88.9135,2265]
["ZINC_A188","3-amino-N-benzyl-4-(methoxymethyl)-N,6-dimethylthieno[2,3-b]pyridine-2-carboxamide","C19H23N3O2S",null,0,10.86802644,-11.30579039,0,0,11.43570042,17800,88.9135,2321]
["ZINC_A190","(1S,3r,5R,8s)-8-(2-(4-benzylphenoxy)ethyl)-3-(methoxycarbonyl)-8-azonia-bicyclo[3.2.1]octane","C24H30NO3+",null,0,6.762002008,-11.57232248,0,0,11.07349968,14999,88.9135,1965]
["ZINC_A191","(1R,3s,5S,9s)-9-(2-hydroxy-2,2-diphenylacetoxy)-3-methyl-3-azonia-bicyclo[3.3.1]nonane","C23H30NO3+",null,0,10.01340219,-11.36729734,0,0,11.01349926,14999,88.9135,1965]
["ZINC_A193","(E)-1-(3-(hydroxyimino)-3-(3-methylthiophen-2-yl)propyl)-4-(2-methoxyphenyl)piperazin-1-ium","C19H28N3O2S+",null,0,11.30050338,-10.79127331,0,0,10.56519985,11979,88.9135,1509]
["ZINC_A194","(2S,3S)-5-amino-N-(3-phenylpropyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-aminium","C22H34N2+",null,0,15.06611055,-10.7158504,0,0,11.01160049,13127,88.9135,1692]
["ZINC_A195","(E)-1-(2-(2-(4-methoxybenzylideneamino)-1H-benzo[d]imidazol-1-yl)ethyl)piperidinium","C22H28N4O+",null,0,18.87267786,-11.83316756,0,0,9.588200569,9986,88.9135,1292]
["ZINC_A197","(1r,4r)-4-(2,2-diphenyl-2-propoxyacetoxy)-1-methylpiperidinium","C23H31NO3+",null,0,23.16515964,-11.51027018,0,0,9.913499832,11848,88.9135,1524]
["ZINC_A20","N-allyl-N-((6-(ethoxycarbonyl)-2-methyl-4-oxo-1,4-dihydroquinolin-3-yl)methyl)prop-2-en-1-aminium","C20H27N2O3+",null,0,2.902514874,-12.13723796,0,0,10.81770039,15876,88.9135,2084]
["ZINC_A202","(1r,4r)-1-(2-cyanoethyl)-4-((1-methyl-1H-indole-3-carbonyloxy)methyl)piperidinium","C19H25N3O2+",null,0,26.50717266,-10.50212072,0,0,10.62520027,15217,88.9135,1941]
["ZINC_A203","(R)-N-methyl-N-(3-(3-(1-methyl-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl)propyl)butan-1-aminium","C19H28N4O+",null,26.0574029,9.23079421,-6.785968762,-13.9,10.6041,10.23970032,12644,88.9135,1705]
["ZINC_A205","(S)-4-(1-(2-aminophenyl)-3-oxoisoindolin-2-yl)-N,N-diethylbutan-1-aminium","C22H33N3O+",null,0,4.315506182,-10.93761762,0,0,10.18580055,15063,88.9135,1991]
["ZINC_A207","(E)-3-(6-(4-methoxystyryl)-1-oxophthalazin-2(1H)-yl)-N-methylpropan-1-aminium","C21H26N3O2+",null,20.34551155,2.191673806,-8.27064926,-181.4,10.621,10.21650124,15628,88.9135,2143]
["ZINC_A208","4-(5-methoxypyrimidin-4-yl)-1-(4-phenylbutyl)piperazin-1-ium","C19H28N4O+",null,0,2.208869952,-11.18456294,0,0,10.64960003,14846,88.9135,1952]
["ZINC_A21","2-(2-amino-3-(ethoxycarbonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)-N,N-dimethylethanaminium","C17H25N5O2+",null,0,16.0009617,-10.91147089,0,0,10.41450024,11229,88.9135,1490]
["ZINC_A210","N,N-dimethyl-2-(2-(1-(naphthalen-2-yl)cyclobutyl)-2-oxoethylthio)ethanaminium","C20H27NOS+",null,0,23.31160827,-10.14184066,0,0.1163,10.89669991,13217,88.9135,1720]
["ZINC_A211","N,N-diethyl-3-(4-methylpyridazino[4,5-b]indolizin-1-ylamino)propan-1-aminium","C18H28N5+",null,0,22.9005493,-10.12410199,0,0.1163,10.89669991,13201,88.9135,1720]
["ZINC_A214","N-methyl-5-(2-(phenylsulfonyl)phenoxy)pentan-1-aminium","C18H26NO3S+",null,0,4.90415456,-11.07326784,0,0,10.90799999,14052,88.9135,1870]
["ZINC_A215","3-(4-(1-(cyanomethyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)phenoxy)-N,N-dimethylpropan-1-aminium","C19H23N5O+",null,18.96951523,4.915754259,-9.574268824,-441.57,4.3118,9.13270092,11501,88.9135,1553]
["ZINC_A216","10-(3-(dimethylammonio)propylamino)-7-hydroxy-11-oxo-11H-indeno[1,2-b]quinolinium","C21H27N3O2+2",null,0,10.0637637,-10.94860382,0,0.2326,11.03820038,19364,0,2538]
["ZINC_A218","1-(3-(2,3-dihydro-1H-inden-5-yloxy)propyl)-4-(pyrimidin-2-yl)piperazin-1-ium","C20H28N4O+",null,0,14.73358808,-12.39457623,0,0.2292,10.6631012,13282,0,1710]
["ZINC_A221","1-(4-(4-(1H-pyrrol-1-yl)-1H-pyrazol-1-yl)butyl)-4-(pyrimidin-2-yl)piperazin-1-ium","C19H27N7+",null,0,4.299187983,-11.28539814,0,0.1551,10.48650074,11909,0,1482]
["ZINC_A223","4-(2-methoxyphenyl)-1-(4-(3-methyl-6-oxopyridazin-1(6H)-yl)butyl)piperazin-1-ium","C20H30N4O2+",null,0,17.95203057,-10.24287411,0,0,10.90480042,15705,0,2027]
["ZINC_A224","N,N-diethyl-2-(N-(9-oxo-9H-fluoren-4-yl)propionamido)ethanaminium","C22H28N2O2+",null,0,19.12508073,-12.10794285,0,0,10.92350006,13322,0,1714]
["ZINC_A225","4-(3-(2-(3,5-dimethoxyphenoxy)ethoxy)pyrazin-2-yl)piperazin-1-ium","C18H27N4O4+",null,0,18.46591403,-10.46808041,0,0,9.390600204,11892,0,1557]
["ZINC_A226","4-(3-(2-(1-oxo-2,3-dihydro-1H-inden-4-yloxy)ethoxy)pyrazin-2-yl)piperazin-1-ium","C19H25N4O3+",null,0,23.76357804,-10.05791299,0,0.1163,9.740599632,12230,0,1572]
["ZINC_A228","(R)-2-(2-(benzyloxy)-2-oxoethyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolinium","C20H25NO4+",null,0,20.84549961,-10.21361351,0,0.1163,10.89090061,13329,0,1699]
["ZINC_A229","1-(4-(benzo[d]oxazol-2-yl)butyl)-4-phenylpiperazin-1-ium","C21H27N3O+",null,0,29.15595114,-10.12624455,0,0.1163,10.66240025,15263,0,2005]
["ZINC_A230","1-(3-(4-(6-fluorobenzo[d]isoxazol-3-yl)phenoxy)propyl)piperidinium","C21H25FN2O2+",null,0,19.48126631,-10.54582169,0,0.1163,10.13660049,10028,0,1280]
["ZINC_A231","1-(3-(4-(6-fluorobenzo[d]isoxazol-3-yl)phenoxy)propyl)pyrrolidinium","C20H23FN2O2+",null,0,22.09582712,-9.861540219,0,0.1163,9.608399391,10165,0,1294]
["ZINC_A232","(1R,1s,4S)-N-(4-(4-hydroxyphenyl)butyl)-N-methyl-4-phenylcyclohexanaminium","C23H34NO+",null,0,35.4268516,-11.64799455,0,0.1163,9.465600967,10390,0,1328]
["ZINC_A234","4-(6-(5-phenylpentyloxy)pyrazin-2-yloxy)piperidinium","C20H30N3O2+",null,0,23.85353147,-10.54645925,0,0.1163,9.76609993,13201,0,1725]
["ZINC_A235","1-((2-(1H-benzo[d]imidazol-1-yl)ethoxy)methyl)-4-(2-methoxyphenyl)piperazin-1-ium","C21H28N4O2+",null,0,18.94822747,-14.79642589,0,0,10.45870018,12236,0,1583]
["ZINC_A236","N-methyl-4-(3-(3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)phenoxy)butan-1-aminium","C17H22N3O2S+",null,0,14.31318521,-9.941164317,0,0,10.29579926,16523,0,2163]
["ZINC_A237","(3R,4aR)-3-(4-(1,3-dioxoisoindolin-2-yl)butyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinolin-3-ium","C24H29N3O2+",null,0,17.25546918,-9.596616013,0,0.1163,10.63090038,12126,0,1564]
["ZINC_A239","(1r,4S)-1-((S)-1,4-dioxo-1,4-diphenylbutan-2-yl)-4-methylpiperidinium","C22H27NO2+",null,0,24.11162529,-10.87627095,0,0,9.749099731,14140,0,1937]
["ZINC_A27","4-(4-acetylphenyl)-1-(4-methoxy-3-methylbenzyl)piperazin-1-ium","C21H28N2O2+",null,0,26.64921238,-11.24651165,0,0,9.765000343,14102,0,1890]
["ZINC_A28","4-(4-acetylphenyl)-1-(4-isopropylbenzyl)piperazin-1-ium","C22H30N2O+",null,0,6.529884983,-11.87512684,0,0,9.685201645,12904,0,1728]
["ZINC_A29","4-(4-acetylphenyl)-1-(4-(dimethylamino)benzyl)piperazin-1-ium","C21H29N3O+",null,0,32.76591194,-11.31807427,0,0,10.04959965,15345,0,2060]
["ZINC_A3","(R)-N-benzyl-1-(4-cyanophenyl)-N-methylpiperidin-4-aminium","C20H25N3+",null,0,33.7362456,-11.3778047,0,0,9.585799217,13571,0,1826]
["ZINC_A32","(Z)-4-(4-fluorophenyl)-1-(2-(2-(1-(furan-2-yl)ethylidene)hydrazinyl)-2-oxoethyl)piperazin-1-ium","C18H24FN4O2+",null,0,8.304905429,-11.13285282,0,0.2326,10.7347002,15050,0,1910]
["ZINC_A34","3-amino-6-ethoxy-N,N-diethylthieno[2,3-b]quinoline-2-carboxamide","C18H23N3O2S",null,0,23.7781078,-11.12040404,0,0,10.00180054,15285,0,1982]
["ZINC_A35","(3-amino-6-ethoxythieno[2,3-b]quinolin-2-yl)(pyrrolidin-1-yl)methanone","C18H21N3O2S",null,0,9.732321236,-10.39753294,0,0,10.77149963,17351,0,2283]
["ZINC_A39","4-(2-methoxyphenyl)-1-(2-(1-methyl-5-(thiophen-2-yl)-1H-pyrazol-4-yl)ethyl)piperazin-1-ium","C21H28N4OS+",null,0,36.29168301,-9.625795495,0,0.1163,9.417301178,10117,0,1346]
["ZINC_A4","(1r,4S)-4-benzyl-1-((2S,3R)-4-hydroxy-3-(4-hydroxyphenyl)butan-2-yl)piperidinium","C22H33NO2+",null,0,4.32622014,-11.62760036,0,0,10.18920135,11682,0,1490]
["ZINC_A41","(R)-4-(1H-indazol-3-yl)-1-(3-(2-methyl-3H-indol-3-yl)propyl)piperazin-1-ium","C23H30N5+",null,0,17.61876233,-10.92869691,0,3.2007,9.572800636,11058,90.911751,1392]
["ZINC_A42","(1r,4s)-4-(2-methoxy-N-phenylacetamido)-1-phenethylpiperidinium","C22H30N2O2+",null,0,5.97589107,-12.04633651,0,0,9.96020031,11928,90.911751,1542]
["ZINC_A46","4-(2-fluorophenyl)-1-(3-methoxy-4-(methylcarbamoyloxy)benzyl)piperazin-1-ium","C20H27FN3O3+",null,0,4.603530093,-11.60280777,0,0,10.09659958,12694,90.911751,1597]
["ZINC_A48","(Z)-1-(4-methoxyphenyl)-2-(3-(piperidin-1-ylamino)quinoxalin-2(1H)-ylidene)ethanone","C22H26N4O2",null,0,11.19481297,-11.30432425,0,0,10.21150017,13606,90.911751,1784]
["ZINC_A55","dimethyl 3-(dimethylamino)-5-methyl-4-phenylcyclopenta[c]quinolizine-1,2-dicarboxylate","C25H24N2O4",null,0,11.09324036,-11.15819982,0,0,10.42710114,14057,90.911751,1818]
["ZINC_A57","(3-amino-6-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridin-2-yl)(phenyl)methanone","C22H20N2O3S",null,25.97777757,9.013570651,-7.516917358,127.87,16.1931,9.657999992,9988,90.911751,1348]
["ZINC_A59","(3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl)(3,4-dimethoxyphenyl)methanone","C23H22N2O4S",null,21.35430725,4.649358879,-7.303993508,189.65,3.0642,11.0958004,15989,90.911751,2118]
["ZINC_A6","(3-amino-6-(benzyloxy)benzofuran-2-yl)(cyclohexyl)methanone","C22H25NO3",null,19.321338,9.117694313,-7.668689855,-135.23,16.5088,11.71590042,19227,90.911751,2652]
["ZINC_A60","(3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl)(3-methoxyphenyl)methanone","C22H20N2O3S",null,20.47460126,6.820608665,-6.936083296,12.07,12.7157,10.57630062,12443,90.911751,1648]
["ZINC_A61","(S)-(3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)(2-methoxyphenyl)methanone","C21H24N2O2S",null,0,6.799199075,-10.79164339,0,0,10.98010063,13557,90.911751,1828]
["ZINC_A62","(R)-(3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)(2-methoxyphenyl)methanone","C21H24N2O2S",null,25,9.125623585,-7.701550948,-21.01,16.9876,11.07470036,16998,90.911751,2353]
["ZINC_A63","(S)-(3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)(3-methoxyphenyl)methanone","C21H24N2O2S",null,0,16.75540231,-10.09937915,0,0.9624,10.77149963,15291,90.911751,2027]
["ZINC_A64","(R)-(3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)(3-methoxyphenyl)methanone","C21H24N2O2S",null,0,17.43527936,-10.07907475,0,0,11.05789948,16643,90.911751,2192]
["ZINC_A7","(1r,4R)-4-benzyl-1-((1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl)piperidinium","C21H31NO2+",null,0,19.99090016,-11.26554116,0,0.9624,11.20429993,14849,90.911751,1949]
["ZINC_A70","(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)(3,4-dimethoxyphenyl)methanone","C22H20N2O3S",null,0,24.54571364,-11.39268382,0,0,10.84010029,13555,90.911751,1750]
["ZINC_A71","(R)-diethyl 5,5-diphenyl-4,5-dihydro-1H-pyrazole-3,4-dicarboxylate","C21H23N2O4",null,21.59312337,6.144215946,-6.75539801,-7.19,15.1337,10.73960018,13359,90.911751,1806]
["ZINC_A72","3-amino-4-(methoxymethyl)-6-methyl-N,N-diphenylthieno[2,3-b]pyridine-2-carboxamide","C23H23N3O2S",null,0,19.14103617,-10.19920993,0,0.1163,10.97390079,15199,0,2004]
["ZINC_A75","1-(4-hydroxy-3,5-dimethoxybenzyl)-4-(2-methoxyphenyl)piperazin-1-ium","C20H29N2O4+",null,21.69381394,8.5588743,-7.743253224,29.1,15.2808,11.09899998,16323,88.9135,2221]
["ZINC_A79","(3-(ethoxycarbonyl)-5-hydroxy-1-(4-methoxyphenyl)-2-methyl-1H-indol-4-yl)-N,N-dimethylmethanaminium","C22H28N2O4+",null,0,21.63876985,-11.05448052,0,0,10.26510048,12060,88.9135,1574]
["ZINC_A8","(R)-3-(4-ethoxybenzamido)-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium","C18H22N3O2",null,19.321338,8.255545549,-7.683066539,-135.23,16.5088,11.71590042,18939,88.9135,2608]
["ZINC_A80","(R)-1-(3-(4-acetylphenoxy)-2-hydroxypropyl)-4-phenylpiperazin-1-ium","C21H29N2O3+",null,24.19497862,7.023545264,-7.82993864,214.75,14.393,10.73480034,14189,88.9135,1900]
["ZINC_A81","4-(4-acetylphenyl)-1-(biphenyl-4-ylmethyl)piperazin-1-ium","C25H28N2O+",null,20.34551155,2.191333143,-8.27065509,-181.4,10.621,10.21650124,15628,88.9135,2143]
["ZINC_A82","4-(4-acetylphenyl)-1-(3-ethoxy-4-hydroxybenzyl)piperazin-1-ium","C21H29N2O3+",null,0,16.00038461,-9.48931752,0,0.1163,11.18900013,12731,88.9135,1641]
["ZINC_A85","(3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-2-yl)(benzo[d][1,3]dioxol-5-yl)methanone","C22H18N2O4S",null,0,12.14856755,-12.3423444,0,0.2326,10.11060143,12280,88.9135,1583]
["ZINC_A87","1-(2-(2-(2-hydroxybenzylamino)-1H-benzo[d]imidazol-1-yl)ethyl)piperidinium","C21H30N4O+",null,21.43347051,10.6228466,-7.387139664,65.71,16.907,10.19480038,11377,88.9135,1526]
["ZINC_A88","4-(2-(2-(4-methoxybenzylamino)-1H-benzo[d]imidazol-1-yl)ethyl)morpholin-4-ium","C21H29N4O2+",null,0,0.768764426,-10.81928135,0,0,10.63329983,12698,0,1710]
["ZINC_A9","(R)-2-((4-amino-2-methylpyrimidin-5-yl)methyl)-6-phenyl-1,2,3,4-tetrahydroisoquinolinium","C21H26N4+",null,0,2.863051379,-11.85734334,0,0,9.753600121,12791,0,1664]
["ZINC_A91","(3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl)(indolin-1-yl)methanone","C19H21N3O2S",null,0,9.962460163,-11.05710594,0,0,10.03999996,14709,0,1903]
["ZINC_A97","1-(2-(2-(benzo[d][1,3]dioxol-5-ylmethylamino)-1H-benzo[d]imidazol-1-yl)ethyl)piperidinium","C22H29N4O2+",null,0,6.299412955,-10.97592054,0,0,10.43050098,15495,0,2059]
["ZINC_A98","4-(8-benzyl-8H-thieno[2,3-b]indole-2-carbonyl)-1-methylpiperazin-1-ium","C23H25N3OS+",null,0,7.083788658,-11.29065396,0,0,10.24969959,14863,0,1903]
["ZINC_A99","(S)-5-(phenylsulfonamido)-N,N-dipropyl-2,3-dihydro-1H-inden-2-aminium","C21H31N2O2S+",null,0,5.584198829,-11.06738739,0,4.2085,11.49940109,19994,0,2605]

{"sheet":"Test set","index":1,"n_rows":87,"n_cols":13,"rows_kept":87,"cut":false,"hidden":false,"merged":[]}
["ID","Name","MF","pIC50","Pc","DPLL","Homo","HF","H","CLogPMR","TIndx","VP","WIndx"]
[2,"N-(3-chlorophenyl)quinazolin-4-amine","C14H11ClN3",7.64,34.31886827,2.157149815,-8.461059383,412.21,8.7737,7.325699806,4563,0,608]
[5,"N-(3-bromophenyl)-6-nitroquinazolin-4-amine","C14H10BrN4O2",6.04,0,2.538587219,-8.047632339,0,8.2536,8.222799301,6445,0,930]
[8,"N-(3-bromophenyl)-7-methoxyquinazolin-4-amine","C15H13BrN3O",8,33.45106995,1.128784681,-8.525050145,289.95,10.2712,8.228199959,6055,0,831]
[11,"N4-phenylquinazoline-4,6-diamine","C14H15N4",6.11,38.43538762,4.850273135,-7.545603209,461.74,12.0952,7.203000069,4713,0,603]
[13,"N4-phenylquinazoline-4,7-diamine","C14H15N4",7,38.43538762,4.243139203,-8.125186474,461.74,12.0952,7.203000069,4761,0,610]
[15,"N-(3-chlorophenyl)-7-nitroquinazolin-4-amine","C14H10ClN4O2",6.09,0,6.215080482,-9.059185632,0,8.3631,7.937199593,6585,0,954]
[17,"6,7-dimethoxy-N-phenylquinazolin-4-amine","C16H16N3O2",7.53,27.38284864,2.3023598,-8.045204324,110.76,11.0995,8.068099976,6944,0,924]
[19,"N-(3-iodophenyl)-6,7-dimethoxyquinazolin-4-amine","C16H15IN3O2",9.05,26.35251656,2.408161012,-8.224831114,176.16,11.7344,9.374499321,7543,0,1054]
[25,"N4-(3-bromophenyl)-N7-ethylquinazoline-4,7-diamine","C16H17BrN4",7.92,31.0363824,3.771864727,-8.236904848,455,12.0293,8.907599449,7236,0,972]
[27,"N4-(3-bromophenyl)-N7-methylquinazoline-4,6,7-triamine","C15H18BrN5",9.16,36.42126142,5.649533128,-7.541820155,497.96,15.6041,8.8125,6829,0,932]
[29,"N4-(3-bromophenyl)-7-methoxyquinazoline-4,6-diamine","C15H16BrN4O",8.42,35.13741717,3.477388117,-7.68655103,312.27,13.7229,8.596899986,6721,0,932]
[33,"N-(3-bromophenyl)-6,7-dipropoxyquinazolin-4-amine","C20H23BrN3O2",9.76,19.91206434,2.892655987,-8.166883448,43.06,11.0068,10.70029926,12635,0,1724]
[38,"N-(3-bromophenyl)-6-fluoropyrido[3,2-d]pyrimidin-4-amine","C13H9BrFN4",7.35,40.8814699,3.295548529,-8.760694433,300.13,11.8592,7.415699959,4928,0,702]
[40,"N4-(3-bromophenyl)-N6,N6-dimethylpyrido[3,2-d]pyrimidine-4,6-diamine","C15H15BrN5",8.01,34.07887692,5.737693823,-8.263746095,522.49,14.693,8.696499825,6852,0,930]
[41,"N-(3-bromophenyl)-6-methoxypyrido[3,2-d]pyrimidin-4-amine","C14H12BrN4O",8.36,37.54565552,4.930487104,-8.610033641,343.38,13.1543,8.01709938,5880,0,815]
[45,"N4-phenylpyrido[4,3-d]pyrimidine-4,7-diamine","C13H14N5",6.6,43.51125375,4.120654134,-8.575974638,515.17,14.9783,6.99189949,4689,0,610]
[46,"N4-(3-nitrophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine","C13H13N6O2",7.39,0,8.23179619,-9.226196828,0,17.5679,7.60340023,6705,0,950]
[48,"N4-(4-bromophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine","C13H13BrN5",7.04,46.78485144,6.001563131,-8.716441142,530.03,15.378,7.768899918,5213,0,722]
[50,"N4-(3-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine","C14H16N5O",6.88,36.99954417,2.976881546,-8.543121271,350.84,16.2063,7.608799934,6174,0,829]
[51,"N4-(4-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine","C14H16N5O",6.17,36.99954417,3.719128749,-8.224690875,350.84,16.2063,7.608799934,6332,0,853]
[56,"N4-(3-chlorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine","C13H13ClN5",6.92,40.67315702,4.87421305,-8.77686184,487.96,15.1085,7.483300209,5158,0,710]
[57,"N4-m-tolylpyrido[4,3-d]pyrimidine-4,7-diamine","C14H16N5",7.39,37.77677627,4.077140284,-8.536989978,483.06,14.9354,7.455699921,5461,0,710]
[63,"N-(3-bromophenyl)pyrido[2,3-d]pyrimidin-4-amine","C13H10BrN4",6.16,44.2083522,3.527577328,-9.035348733,507.71,11.9263,7.40019989,4489,0,608]
[68,"N2-methyl-N8-phenylpyrimido[5,4-d]pyrimidine-2,8-diamine","C13H14N6",7.88,41.14411921,2.615557644,-7.90597462,567.64,17.5189,7.244600296,5379,0,706]
[72,"N8-(3-bromophenyl)-N2,N2-dimethylpyrimido[5,4-d]pyrimidine-2,8-diamine","C14H14BrN6",9.02,38.29281443,1.310091536,-8.122891262,575.92,17.5761,8.4854002,6758,0,930]
[74,"N8-(3-bromophenyl)-N2-(2-morpholinoethyl)pyrimido[5,4-d]pyrimidine-2,8-diamine","C18H22BrN7O",9.09,31.4555522,1.367933564,-8.100105415,495.65,26.6615,10.68500042,14929,0,2088]
[78,"N8-(m-tolyl)pyrimido[5,4-d]pyrimidine-2,8-diamine","C13H15N6",7.76,42.7186125,2.792468344,-7.899462556,536.49,17.8185,7.244600296,5330,0,702]
[86,"N-(3-chloro-4-((3-fluorobenzyl)oxy)phenyl)-6-methyl-5-((5-(pyrrolidin-1-ylmethyl)thiophen-2-yl)ethynyl)pyrimidin-4-amine","C29H27ClFN4OS",7.5,15.1049895,1.666037621,-7.536745175,430.84,5.9883,15.10449982,38674,1.25,5312]
[87,"N-(3-chloro-4-((3-fluorobenzyl)oxy)phenyl)-5-((3-((dimethylamino)methyl)phenyl)ethynyl)-6-methylpyrimidin-4-amine","C29H27ClFN4O",7.26,13.77859127,4.943971532,-7.328316915,350.22,5.9883,14.39319897,35551,1.25,4831]
[91,"N-(3-chloro-4-((3-fluorobenzyl)oxy)phenyl)-6-(thiophen-3-yl)pyrimidin-4-amine","C21H16ClFN3OS",4.66,22.22893536,0.734755359,-8.809154863,192.09,11.3967,11.10159969,17204,1.25,2423]
[96,"(E)-4-bromo-2-(((4-(piperidin-1-ylsulfonyl)phenyl)imino)methyl)phenol","C18H20BrN2O3S",5.01,0,4.871115559,-9.225089587,0,5.6329,10.1678009,12403,1.25,1702]
["ZINC_A100","N,N-diethyl-2-(8-hydroxy-11-oxo-11H-indeno[1,2-b]quinolin-10-yloxy)ethanaminium","C22H25N2O3+",null,0,19.59482709,-11.26193179,0,0.1163,10.6182003,13314,90.911751,1746]
["ZINC_A102","N,N-diethyl-2-(2-(4-methylbenzamido)-1H-benzo[d]imidazol-1-yl)ethanaminium","C21H29N4O+",null,0,23.39518364,-9.463840917,0,0.1163,10.67840099,13574,90.911751,1739]
["ZINC_A107","(3-amino-7-ethoxythieno[2,3-b]quinolin-2-yl)(4-methylpiperidin-1-yl)methanone","C20H25N3O2S",null,21.39383395,8.776057975,-7.589353197,60.09,15.9469,10.5855999,12855,90.911751,1721]
["ZINC_A11","4-phenyl-1-(2-(5,6,7,8-tetrahydroquinazolin-4-ylamino)ethyl)piperazin-1-ium","C20H30N5+",null,0,8.355769687,-11.43227539,0,0,10.25559998,13947,90.911751,1784]
["ZINC_A115","4-(2-(5-phenyl-4-p-tolyl-4H-1,2,4-triazol-3-ylthio)ethyl)morpholin-4-ium","C21H26N4OS+",null,0,19.31697236,-11.35099913,0,0.9624,11.20429993,14781,90.911751,1940]
["ZINC_A117","(3-amino-6-methylthieno[2,3-b]quinolin-2-yl)(3,4-dimethoxyphenyl)methanone","C21H20N2O3S",null,21.59312337,8.731209903,-7.618098932,-7.19,15.1337,10.73960018,13763,90.911751,1866]
["ZINC_A120","(R)-(3-amino-6-ethoxythieno[2,3-b]quinolin-2-yl)(2-methylpiperidin-1-yl)methanone","C20H25N3O2S",null,21.39383395,7.375540329,-7.692012585,60.09,15.9469,10.5855999,12541,0,1680]
["ZINC_A121","(3-amino-6-ethoxythieno[2,3-b]quinolin-2-yl)(4-methoxyphenyl)methanone","C21H20N2O3S",null,21.89731953,7.775751228,-7.68190918,4.28,15.0535,10.73960018,14257,0,1940]
["ZINC_A122","3-amino-N-cyclohexyl-6-methoxy-N-methylthieno[2,3-b]quinoline-2-carboxamide","C20H25N3O2S",null,21.89731953,8.391074063,-7.462023077,53.93,15.9469,10.5855999,12562,0,1684]
["ZINC_A127","(3-(benzo[d][1,3]dioxol-5-yl)-7-hydroxy-4-oxo-6-propyl-4H-chromen-8-yl)-N,N-dimethylmethanaminium","C22H25NO5+",null,0,16.02110447,-11.01103954,0,0,10.66010094,14080,0,1916]
["ZINC_A128","(3-(4-ethoxyphenoxy)-7-hydroxy-2-methyl-4-oxo-4H-chromen-8-yl)-N,N-dimethylmethanaminium","C21H25NO5+",null,0,18.59140203,-10.85754176,0,0,10.3737011,13936,0,1888]
["ZINC_A13","(4-(3-hydroxyphenyl)-1,2-dihydroacridin-3-yl)-N,N-dimethylmethanaminium","C22H24N2O+",null,0,9.340136702,-11.59450346,0,0,10.40699959,10497,90.911751,1330]
["ZINC_A134","3-amino-N,N-dibenzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide","C24H25N3OS",null,19.03578423,8.987918936,-7.550930752,331.26,16.0683,12.08909988,16901,88.9135,2196]
["ZINC_A137","(2S,6S)-1-((S)-3-(9H-carbazol-9-yl)-2-hydroxypropyl)-2,6-dimethylpiperidinium","C22H31N2O+",null,0,11.69934034,-10.78923433,0,0,10.56519985,11713,88.9135,1475]
["ZINC_A142","(R)-N,N-diethyl-2-(4-oxo-3-p-tolyl-1,2,3,4-tetrahydroquinazolin-2-ylthio)ethanaminium","C21H30N3OS+",null,0,23.02565635,-10.67561219,0,0.1163,11.2334013,13023,88.9135,1679]
["ZINC_A143","ethyl 4-amino-5-benzoyl-2-(2-methoxyphenylamino)thiophene-3-carboxylate","C21H23N2O4S",null,19.80586685,11.19604593,-7.396037487,-294.24,14.8223,10.95410156,14565,88.9135,1995]
["ZINC_A15","(R)-1-(2-hydroxy-3-(4-(2-phenylpropan-2-yl)phenoxy)propyl)pyrrolidinium","C22H32NO2+",null,0,22.3428746,-11.18821993,0,0,10.42400074,13884,90.911751,1775]
["ZINC_A158","4-(2-ethoxyphenyl)-1-(4-(methoxycarbonyl)benzyl)piperazin-1-ium","C21H28N2O3+",null,0,5.924726681,-11.0139314,0,0,10.36460114,14706,88.9135,1967]
["ZINC_A162","(S)-1-(2-hydroxy-3-(4-isopropyl-3-methylphenoxy)propyl)-4-phenylpiperazin-1-ium","C23H35N2O2+",null,0,8.847224378,-11.25063121,0,0,11.25650024,17875,88.9135,2298]
["ZINC_A169","(2-(benzylthiomethyl)-3-(ethoxycarbonyl)-5-hydroxybenzofuran-4-yl)-N,N-dimethylmethanaminium","C22H27NO4S+",null,0,3.812582755,-11.12518903,0,0,11.41769981,15040,88.9135,2020]
["ZINC_A17","3-amino-N-benzyl-N-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide","C19H23N3OS",null,21.77487436,10.33081964,-7.378870674,197.93,14.8523,10.04170036,10209,90.911751,1337]
["ZINC_A173","N,N-dimethyl-2-(4-(6-phenylpyrimidin-4-ylamino)benzoyloxy)ethanaminium","C21H25N4O2+",null,0,29.47473322,-11.36195791,0,0.1163,10.62270069,17170,88.9135,2258]
["ZINC_A19","(R)-1-(3-(9H-carbazol-9-yl)-2-hydroxypropyl)azepanium","C21H29N2O+",null,0,11.85988949,-10.79644293,0,0,10.10139942,10702,90.911751,1348]
["ZINC_A199","1-(4-(pyridin-4-yl)butyl)-4-(pyrimidin-2-yl)piperazin-1-ium","C17H25N5+",null,0,6.689447527,-12.43810454,0,0,8.925600052,10365,0,1339]
["ZINC_A2","(R)-N-((1-benzoylpiperidin-4-yl)methyl)-N-methyl-2,3-dihydro-1H-inden-2-aminium","C23H30N2O+",null,0,12.76208194,-12.00803446,0,0.1551,10.80860138,15161,90.911751,1921]
["ZINC_A206","3-(6-ethoxy-3-oxo-2-phenyl-2,3-dihydropyridazin-4-ylamino)-N,N-dimethylpropan-1-aminium","C17H27N4O2+",null,0,31.16177167,-10.03400252,0,0.1163,9.216500282,9722,0,1276]
["ZINC_A209","1-(4-(4-aminophenyl)butyl)-4-(5-methoxypyrimidin-4-yl)piperazin-1-ium","C19H31N5O+",null,0,3.786839395,-10.06625884,0,0,10.1223011,14280,0,1886]
["ZINC_A212","1-(3-(4-methylpyridazino[4,5-b]indolizin-1-ylamino)propyl)piperidinium","C19H28N5+",null,0,21.20052569,-9.834964534,0,0,9.894800186,11584,0,1474]
["ZINC_A213","3-(3,4-dihydrobenzo[b][1,4]thiazepin-5(2H)-yl)-3-oxo-N-(2-(m-tolyloxy)ethyl)propan-1-aminium","C21H29N2O2S+",null,0,6.806522921,-10.6586165,0,0.1163,11.01780128,15607,0,2054]
["ZINC_A22","(1R,2R,6S)-2-((R)-2-hydroxy-2-phenylethyl)-1-methyl-6-(2-oxo-2-phenylethyl)piperidinium","C22H30NO2+",null,0,9.73825273,-12.60938113,0,0,10.30660057,12748,90.911751,1634]
["ZINC_A220","3-(3-(1,3-dioxoisoindolin-2-yl)propylcarbamoyl)-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrolium","C20H29N3O3+",null,0,10.25400833,-12.77348628,0,0,10.17950058,13989,0,1861]
["ZINC_A227","4-(5,6-dimethyl-3-(2-phenoxyethoxy)pyrazin-2-yl)piperazin-1-ium","C18H27N4O2+",null,0,19.68692815,-11.11739571,0,0,9.442899704,11415,0,1492]
["ZINC_A23","4-(3-allyl-2-hydroxybenzylamino)-2,3-dimethyl-1-phenyl-1,2-dihydropyrazol-5-one","C21H25N3O2",null,20.9842054,4.241836793,-6.999258926,111.75,0,10.42170048,13321,90.911751,1746]
["ZINC_A233","(R)-1-(4-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)butyl)-4-phenyl-1,2,3,6-tetrahydropyridinium","C24H29N2O2+",null,0,14.66670842,-10.28507985,0,0.1163,11.33870029,19422,0,2527]
["ZINC_A24","4-(2-ethoxyphenyl)-1-(4-hydroxybenzyl)piperazin-1-ium","C19H27N2O2+",null,0,4.744452443,-10.90165582,0,0,9.401299477,10315,90.911751,1350]
["ZINC_A240","(1R,4r)-4-((R)-2-hydroxy-5-methyl-2-phenylhex-5-en-3-ynoyloxy)-1-methylpiperidinium","C19H26NO3+",null,0,19.84275334,-11.17687419,0,0,9.263699532,9324,0,1208]
["ZINC_A25","4-(4-acetylphenyl)-1-(naphthalen-1-ylmethyl)piperazin-1-ium","C23H26N2O+",null,0,11.61227237,-11.35827618,0,0,10.81879997,14939,90.911751,1906]
["ZINC_A26","4-(4-acetylphenyl)-1-(2-ethoxybenzyl)piperazin-1-ium","C21H28N2O2+",null,0,10.50118418,-11.38642129,0,0,10.21150017,13361,90.911751,1744]
["ZINC_A33","(3-aminobenzofuran-2-yl)(2,4,6-trimethoxyphenyl)methanone","C18H19NO5",null,22.35523588,1.96860249,-7.51033773,-467.14,12.2471,8.820599556,9083,90.911751,1255]
["ZINC_A37","(E)-1-benzyl-5-(1-(piperidin-1-ylamino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione","C18H24N4O3",null,25.76721894,7.510389235,-7.051754064,0.65,16.2035,9.531900406,11279,90.911751,1526]
["ZINC_A38","1-(2-(5-(4-hydroxyphenyl)-1-methyl-1H-pyrazol-4-yl)ethyl)-4-(2-methoxyphenyl)piperazin-1-ium","C23H31N4O2+",null,0,1.795139202,-11.01009072,0,0,11.59469986,19372,90.911751,2568]
["ZINC_A40","4-(2-methoxyphenyl)-1-(2-(5-(thiophen-2-yl)isoxazol-4-yl)ethyl)piperazin-1-ium","C20H25N3O2S+",null,0,2.274826312,-11.40667535,0,0,10.57129955,14266,90.911751,1915]
["ZINC_A5","(1r,4r)-1-benzyl-4-(cyclohepta[d]imidazol-2-ylamino)piperidinium","C20H25N4+",null,0,10.78024576,-9.820542076,0,0,9.897100449,12488,90.911751,1576]
["ZINC_A51","(R)-N-((1-benzoylpiperidin-4-yl)methyl)-N-propyl-2,3-dihydro-1H-inden-2-aminium","C25H34N2O+",null,0,12.23223038,-12.06909614,0,0.1551,11.73620033,17996,90.911751,2280]
["ZINC_A52","4-phenyl-1-(2-((1s,4s)-4-(pyrimidin-2-ylamino)cyclohexyl)ethyl)piperazin-1-ium","C22H34N5+",null,0,10.05848946,-11.04642176,0,0,11.18320084,18407,90.911751,2364]
["ZINC_A53","(1r,4r)-1-benzyl-4-(4-(methylthio)phenylcarbamoyloxy)piperidinium","C20H27N2O2S+",null,0,14.76213562,-10.08458618,0,0,10.55400085,14164,90.911751,1872]
["ZINC_A54","(3-(4-ethylphenoxy)-7-hydroxy-2-methyl-4-oxo-4H-chromen-8-yl)-N,N-dimethylmethanaminium","C21H25NO4+",null,0,15.9290615,-10.81580662,0,0,10.22060013,12532,90.911751,1657]
["ZINC_A56","dimethyl 1-(dimethylamino)-4-phenylcyclopenta[c]quinolizine-2,3-dicarboxylate","C24H22N2O4",null,0,9.560678506,-6.899001594,0,12.231,11.32140064,14969,90.911751,2017]
["ZINC_A58","(3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-2-yl)(3-methoxyphenyl)methanone","C22H20N2O3S",null,21.69381394,9.106739004,-7.709147631,29.1,15.2808,11.09899998,15795,90.911751,2141]
["ZINC_A65","(3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl)(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methanone","C23H20N2O4S",null,23.31523527,10.46190071,-7.716778662,-47.81,16.8645,11.53849983,19179,90.911751,2644]
["ZINC_A76","N,N-diethyl-2-(4-phenyl-5-(phenylamino)-4H-1,2,4-triazol-3-ylthio)ethanaminium","C20H28N5S+",null,0,26.60933674,-10.11282938,0,0.1163,11.13349915,13807,90.911751,1778]
["ZINC_A86","4-(2-(1-benzyl-1H-benzo[d]imidazol-2-ylthio)ethyl)morpholin-4-ium","C20H25N3OS+",null,0,18.39370655,-10.17786076,0,0.9624,10.59220028,12293,90.911751,1604]
["ZINC_A89","4-(2-(2-(2-methoxybenzylamino)-1H-benzo[d]imidazol-1-yl)ethyl)morpholin-4-ium","C21H29N4O2+",null,0,16.2309915,-10.02020534,0,0.9624,10.77149963,14779,90.911751,1951]
["ZINC_A90","4-(2-(2-(3-methoxybenzylamino)-1H-benzo[d]imidazol-1-yl)ethyl)morpholin-4-ium","C21H29N4O2+",null,0,17.22587948,-10.08701392,0,0.9624,10.77149963,15035,90.911751,1989]
["ZINC_A95","1-(2-fluorobenzyl)-4-(4-propionamidophenyl)piperazin-1-ium","C20H27FN3O+",null,0,8.623940611,-10.33647475,0,0,9.978800774,13467,90.911751,1804]

{"sheet":"Sheet3","index":2,"n_rows":0,"n_cols":0,"rows_kept":0,"cut":false,"hidden":false,"merged":[]}