{"DTXSID":"DTXSID0020022","Name":"Acifluorfen","CAS":"50594-66-6","CompoundName":"BF00174500","Fup.point":0.00225,"Base.Fup.Med":0.01787,"Base.Fup.Low":0.00687,"Base.Fup.High":0.08532,"Affinity.Fup.Med":0.01119,"Affinity.Fup.Low":0.0065,"Affinity.Fup.High":0.02198,"Affinity.Kd.Med":11.9109,"Affinity.Kd.Low":6.89182,"Affinity.Kd.High":23.65605,"Decreases.Prob":0.00002,"Saturates.Prob":0.50148,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":0,"CLint.10uM.Point":-0.95847,"Fit":"Point Est. Zero","SMILES":"OC(=O)C1=C(C=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=C1)[N+]([O-])=O"}
{"DTXSID":"DTXSID0020286","Name":"3-Chloro-4-methylaniline","CAS":"95-74-9","CompoundName":"EV0001463","Fup.point":0.11624,"Base.Fup.Med":0.14849,"Base.Fup.Low":0.11902,"Base.Fup.High":0.20706,"Affinity.Fup.Med":0.14479,"Affinity.Fup.Low":0.08788,"Affinity.Fup.High":0.25697,"Affinity.Kd.Med":178.218,"Affinity.Kd.Low":101.42093,"Affinity.Kd.High":364.03572,"Decreases.Prob":1,"Saturates.Prob":1,"Slope.1uM.Median":0.03267,"Slope.10uM.Median":0.00725,"CLint.1uM.Median":65.3463,"CLint.1uM.Low95th":56.78079,"CLint.1uM.High95th":72.14629,"CLint.10uM.Median":14.49062,"CLint.10uM.Low95th":7.68879,"CLint.10uM.High95th":18.9044,"CLint.1uM.Point":66.95502,"CLint.10uM.Point":15.94718,"Fit":"Decreasing","SMILES":"CC1=C(Cl)C=C(N)C=C1"}
{"DTXSID":"DTXSID0020319","Name":"Chlorothalonil","CAS":"1897-45-6","CompoundName":"1444906","Fup.point":0.27451,"Base.Fup.Med":0.3776,"Base.Fup.Low":0.36077,"Base.Fup.High":0.38956,"Affinity.Fup.Med":0.36034,"Affinity.Fup.Low":0.0392,"Affinity.Fup.High":0.44846,"Affinity.Kd.Med":592.9805,"Affinity.Kd.Low":42.94496,"Affinity.Kd.High":855.897,"Decreases.Prob":0.06746,"Saturates.Prob":0.52468,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":132.31298,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":9.83955,"CLint.10uM.Point":0,"Fit":"Bayesian Zero","SMILES":"ClC1=C(Cl)C(C#N)=C(Cl)C(C#N)=C1Cl"}
{"DTXSID":"DTXSID0020573","Name":"17beta-Estradiol","CAS":"50-28-2","CompoundName":"TX008477","Fup.point":0.00975,"Base.Fup.Med":2.86491e-06,"Base.Fup.Low":1.72395e-10,"Base.Fup.High":0.08336,"Affinity.Fup.Med":4.94937e-06,"Affinity.Fup.Low":2.8468e-13,"Affinity.Fup.High":0.0391,"Affinity.Kd.Med":0.00521,"Affinity.Kd.Low":2.99663e-10,"Affinity.Kd.High":42.8309,"Decreases.Prob":1,"Saturates.Prob":0.97536,"Slope.1uM.Median":0.02844,"Slope.10uM.Median":0.01055,"CLint.1uM.Median":56.8819,"CLint.1uM.Low95th":22.7767,"CLint.1uM.High95th":77.67784,"CLint.10uM.Median":21.0991,"CLint.10uM.Low95th":14.95296,"CLint.10uM.High95th":23.69182,"CLint.1uM.Point":47.54581,"CLint.10uM.Point":22.23207,"Fit":"Decreasing","SMILES":"CC12CCC3C(CCC4=C3C=CC(O)=C4)C1CCC2O"}
{"DTXSID":"DTXSID0020604","Name":"4-Vinyl-1-cyclohexene dioxide","CAS":"106-87-6","CompoundName":"EV0001987","Decreases.Prob":1,"Saturates.Prob":0.78064,"Slope.1uM.Median":0.06785,"Slope.10uM.Median":0.01907,"CLint.1uM.Median":135.6972,"CLint.1uM.Low95th":20.76607,"CLint.1uM.High95th":1205.87835,"CLint.10uM.Median":38.1421,"CLint.10uM.Low95th":11.2227,"CLint.10uM.High95th":61.92601,"CLint.10uM.Point":0,"Fit":"Decreasing","SMILES":"C1OC1C1CCC2OC2C1"}
{"DTXSID":"DTXSID0020654","Name":"Geranyl acetate","CAS":"105-87-3","CompoundName":"EV0001997","Fup.point":0.36351,"Base.Fup.Med":0.35356,"Base.Fup.Low":0.19128,"Base.Fup.High":0.63198,"Affinity.Fup.Med":0.1959,"Affinity.Fup.Low":0.11245,"Affinity.Fup.High":0.39631,"Affinity.Kd.Med":256.4515,"Affinity.Kd.Low":133.36495,"Affinity.Kd.High":691.04155,"Decreases.Prob":1,"Saturates.Prob":0.41312,"Slope.1uM.Median":0.41173,"Slope.10uM.Median":0.32038,"CLint.1uM.Median":823.46,"CLint.1uM.Low95th":223.8518,"CLint.1uM.High95th":1307.3735,"CLint.10uM.Median":640.757,"CLint.10uM.Low95th":114.76482,"CLint.10uM.High95th":1284.8449,"CLint.10uM.Point":14.17891,"Fit":"Decreasing","SMILES":"CC(C)=CCCC(C)=CCOC(C)=O"}
{"DTXSID":"DTXSID0021123","Name":"Phenobarbital sodium","CAS":"57-30-7","CompoundName":"EV0001885","Fup.point":0,"Base.Fup.Med":4.52921e-06,"Base.Fup.Low":1.85096e-10,"Base.Fup.High":0.13199,"Affinity.Fup.Med":0.24931,"Affinity.Fup.Low":0.18937,"Affinity.Fup.High":0.31608,"Affinity.Kd.Med":349.5845,"Affinity.Kd.Low":245.89747,"Affinity.Kd.High":486.482,"Decreases.Prob":0.0001,"Saturates.Prob":0.50042,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":-1.77434,"CLint.10uM.Point":-1.60088,"Fit":"Bayesian Zero","SMILES":"CCC1(C(=O)NC(O)=NC1=O)c1ccccc1"}
{"DTXSID":"DTXSID0021385","Name":"Folpet","CAS":"133-07-3","CompoundName":"1444847","Affinity.Fup.Med":3.02967e-06,"Affinity.Fup.Low":2.3715e-13,"Affinity.Fup.High":0.97305,"Affinity.Kd.Med":0.00319,"Affinity.Kd.Low":2.4963e-10,"Affinity.Kd.High":38007.1425,"SMILES":"ClC(Cl)(Cl)SN1C(=O)C2=C(C=CC=C2)C1=O"}
{"DTXSID":"DTXSID0021389","Name":"Trichlorfon","CAS":"52-68-6","CompoundName":"TX000124","Affinity.Fup.Med":0.65995,"Affinity.Fup.Low":0.22228,"Affinity.Fup.High":0.98592,"Affinity.Kd.Med":2042.91,"Affinity.Kd.Low":300.84885,"Affinity.Kd.High":73685.4875,"Decreases.Prob":1,"Saturates.Prob":0.08392,"Slope.1uM.Median":0.01584,"Slope.10uM.Median":0.0157,"CLint.1uM.Median":31.6821,"CLint.1uM.Low95th":25.33154,"CLint.1uM.High95th":37.87845,"CLint.10uM.Median":31.3904,"CLint.10uM.Low95th":25.32439,"CLint.10uM.High95th":37.2893,"CLint.1uM.Point":62.29994,"CLint.10uM.Point":68.6604,"Fit":"Decreasing","SMILES":"COP(=O)(OC)C(O)C(Cl)(Cl)Cl"}
{"DTXSID":"DTXSID0021460","Name":"Zearalenone","CAS":"17924-92-4","CompoundName":"EV0002352","Decreases.Prob":1,"Saturates.Prob":1,"Slope.1uM.Median":0.10434,"Slope.10uM.Median":0.03401,"CLint.1uM.Median":208.677,"CLint.1uM.Low95th":158.78405,"CLint.1uM.High95th":242.51835,"CLint.10uM.Median":68.0299,"CLint.10uM.Low95th":56.91732,"CLint.10uM.High95th":76.94762,"CLint.1uM.Point":113.06763,"CLint.10uM.Point":78.76658,"Fit":"Decreasing","SMILES":"CC1CCCC(=O)CCCC=CC2=CC(O)=CC(O)=C2C(=O)O1"}
{"DTXSID":"DTXSID0021834","Name":"4-Nitrophenol","CAS":"100-02-7","CompoundName":"BF00174528","Fup.point":0.12296,"Base.Fup.Med":0.15895,"Base.Fup.Low":0.11206,"Base.Fup.High":0.23769,"Affinity.Fup.Med":0.14177,"Affinity.Fup.Low":0.10508,"Affinity.Fup.High":0.19714,"Affinity.Kd.Med":173.886,"Affinity.Kd.Low":123.59497,"Affinity.Kd.High":258.47447,"Decreases.Prob":0.96558,"Saturates.Prob":0.93874,"Slope.1uM.Median":0.00698,"Slope.10uM.Median":0.00077,"CLint.1uM.Median":13.96022,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":25.00881,"CLint.10uM.Median":1.5456,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":6.80603,"CLint.1uM.Point":0,"CLint.10uM.Point":0,"Fit":"Point Est. Zero","SMILES":"OC1=CC=C(C=C1)[N+]([O-])=O"}
{"DTXSID":"DTXSID0021965","Name":"1,2,4-Trichlorobenzene","CAS":"120-82-1","CompoundName":"BF00174590","Fup.point":0.07686,"Base.Fup.Med":7.45748e-06,"Base.Fup.Low":1.71218e-10,"Base.Fup.High":0.44225,"Affinity.Fup.Med":4.95232e-07,"Affinity.Fup.Low":1.90434e-13,"Affinity.Fup.High":0.95257,"Affinity.Kd.Med":0.00052,"Affinity.Kd.Low":2.00456e-10,"Affinity.Kd.High":21142.2925,"SMILES":"ClC1=CC(Cl)=C(Cl)C=C1"}
{"DTXSID":"DTXSID0021969","Name":"4-Hydroxy-3-methoxybenzaldehyde","CAS":"121-33-5","CompoundName":"EV0001993","Fup.point":0.2664,"Base.Fup.Med":0.29757,"Base.Fup.Low":0.234,"Base.Fup.High":0.40753,"Affinity.Fup.Med":0.32206,"Affinity.Fup.Low":0.25956,"Affinity.Fup.High":0.40567,"Affinity.Kd.Med":500.053,"Affinity.Kd.Low":369.00685,"Affinity.Kd.High":718.4876,"Decreases.Prob":1,"Saturates.Prob":0.87814,"Slope.1uM.Median":0.11694,"Slope.10uM.Median":0.05542,"CLint.1uM.Median":233.882,"CLint.1uM.Low95th":104.40719,"CLint.1uM.High95th":306.3663,"CLint.10uM.Median":110.8379,"CLint.10uM.Low95th":89.75957,"CLint.10uM.High95th":125.32105,"CLint.1uM.Point":64.37984,"CLint.10uM.Point":110.87774,"Fit":"Decreasing","SMILES":"COC1=C(O)C=CC(C=O)=C1"}
{"DTXSID":"DTXSID0022018","Name":"Disulfoton","CAS":"298-04-4","CompoundName":"BF00174499","Fup.point":0.25539,"Base.Fup.Med":0.00001,"Base.Fup.Low":1.84429e-10,"Base.Fup.High":0.57494,"Affinity.Fup.Med":1.27022e-06,"Affinity.Fup.Low":2.4943e-13,"Affinity.Fup.High":0.96653,"Affinity.Kd.Med":0.00134,"Affinity.Kd.Low":2.62558e-10,"Affinity.Kd.High":30398.065,"Decreases.Prob":1,"Saturates.Prob":0.74158,"Slope.1uM.Median":0.20613,"Slope.10uM.Median":0.1024,"CLint.1uM.Median":412.253,"CLint.1uM.Low95th":153.59556,"CLint.1uM.High95th":1259.03,"CLint.10uM.Median":204.794,"CLint.10uM.Low95th":99.44631,"CLint.10uM.High95th":311.191,"CLint.1uM.Point":0,"CLint.10uM.Point":41.73891,"Fit":"Point Est. Zero","SMILES":"CCOP(=S)(OCC)SCCSCC"}
{"DTXSID":"DTXSID0022353","Name":"2-Chloro-4-phenylphenol","CAS":"92-04-6","CompoundName":"EV0002320","Decreases.Prob":0.51888,"Saturates.Prob":0.49854,"Slope.1uM.Median":0.02458,"Slope.10uM.Median":0.00744,"CLint.1uM.Median":49.1606,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":1264.32535,"CLint.10uM.Median":14.87242,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":1207.01255,"CLint.1uM.Point":0,"CLint.10uM.Point":0,"Fit":"Point Est. Zero","SMILES":"OC1=CC(Cl)=C(C=C1)C1=CC=CC=C1"}
{"DTXSID":"DTXSID0022353","Name":"2-Chloro-4-phenylphenol","CAS":"92-04-6","CompoundName":"TX0013095","Fup.point":-0.00696,"Base.Fup.Med":1.72758e-06,"Base.Fup.Low":1.55662e-10,"Base.Fup.High":0.03214,"Affinity.Fup.Med":1.00208e-08,"Affinity.Fup.Low":1.71605e-13,"Affinity.Fup.High":0.00154,"Affinity.Kd.Med":0.00001,"Affinity.Kd.Low":1.80637e-10,"Affinity.Kd.High":1.62354,"SMILES":"OC1=CC(Cl)=C(C=C1)C1=CC=CC=C1"}
{"DTXSID":"DTXSID0022436","Name":"Diphenolic acid","CAS":"126-00-1","CompoundName":"BF00174484","Fup.point":0.14545,"Base.Fup.Med":0.19195,"Base.Fup.Low":0.12851,"Base.Fup.High":0.28005,"Affinity.Fup.Med":0.16359,"Affinity.Fup.Low":0.11898,"Affinity.Fup.High":0.22807,"Affinity.Kd.Med":205.8805,"Affinity.Kd.Low":142.152,"Affinity.Kd.High":311.01015,"Decreases.Prob":0.02898,"Saturates.Prob":0.50264,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":1.37635,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0.83733,"CLint.1uM.Point":0,"CLint.10uM.Point":2.69225,"Fit":"Point Est. Zero","SMILES":"CC(CCC(O)=O)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1"}
{"DTXSID":"DTXSID0022480","Name":"3-Ethylphenol","CAS":"620-17-7","CompoundName":"EV0001396","Fup.point":0.19636,"Base.Fup.Med":0.21478,"Base.Fup.Low":0.1904,"Base.Fup.High":0.25477,"Affinity.Fup.Med":0.25691,"Affinity.Fup.Low":0.19264,"Affinity.Fup.High":0.33657,"Affinity.Kd.Med":363.924,"Affinity.Kd.Low":251.1708,"Affinity.Kd.High":534.01915,"SMILES":"CCC1=CC=CC(O)=C1"}
{"DTXSID":"DTXSID0022519","Name":"Folic acid","CAS":"59-30-3","CompoundName":"BF00175516","Fup.point":0.2201,"Base.Fup.Med":0.27124,"Base.Fup.Low":1.06191e-09,"Base.Fup.High":0.58573,"Affinity.Fup.Med":0.333,"Affinity.Fup.Low":0.17641,"Affinity.Fup.High":0.7882,"Affinity.Kd.Med":525.5365,"Affinity.Kd.Low":225.47057,"Affinity.Kd.High":3917.35275,"Decreases.Prob":0.00732,"Saturates.Prob":0.50258,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":0,"CLint.10uM.Point":0,"Fit":"Point Est. Zero","SMILES":"NC1=NC(=O)C2=C(N1)N=CC(CNC1=CC=C(C=C1)C(=O)NC(CCC(O)=O)C(O)=O)=N2"}
{"DTXSID":"DTXSID0022519","Name":"Folic acid","CAS":"59-30-3","CompoundName":"EV0000625","Fup.point":0.41633,"Base.Fup.Med":0.00002,"Base.Fup.Low":2.23203e-10,"Base.Fup.High":0.63518,"Affinity.Fup.Med":0.04858,"Affinity.Fup.Low":3.88773e-13,"Affinity.Fup.High":0.95698,"Affinity.Kd.Med":53.7472,"Affinity.Kd.Low":4.09235e-10,"Affinity.Kd.High":23416.755,"SMILES":"NC1=NC(=O)C2=C(N1)N=CC(CNC1=CC=C(C=C1)C(=O)NC(CCC(O)=O)C(O)=O)=N2"}
{"DTXSID":"DTXSID0023113","Name":"2-Methoxyphenol","CAS":"90-05-1","CompoundName":"EV0001353","Fup.point":0.611,"Base.Fup.Med":0.56408,"Base.Fup.Low":0.48824,"Base.Fup.High":0.67212,"Affinity.Fup.Med":0.5681,"Affinity.Fup.Low":0.50571,"Affinity.Fup.High":0.64016,"Affinity.Kd.Med":1384.585,"Affinity.Kd.Low":1076.95425,"Affinity.Kd.High":1872.6595,"Decreases.Prob":1,"Saturates.Prob":0.83666,"Slope.1uM.Median":0.02243,"Slope.10uM.Median":0.01227,"CLint.1uM.Median":44.8523,"CLint.1uM.Low95th":22.73316,"CLint.1uM.High95th":65.27202,"CLint.10uM.Median":24.5422,"CLint.10uM.Low95th":9.88433,"CLint.10uM.High95th":37.11222,"CLint.1uM.Point":53.86384,"CLint.10uM.Point":39.74701,"Fit":"Decreasing","SMILES":"COC1=C(O)C=CC=C1"}
{"DTXSID":"DTXSID0023296","Name":"Methylene blue","CAS":"61-73-4","CompoundName":"EV0001394","Fup.point":0.40863,"Base.Fup.Med":0.40635,"Base.Fup.Low":0.38109,"Base.Fup.High":0.43772,"Affinity.Fup.Med":0.38188,"Affinity.Fup.Low":0.23774,"Affinity.Fup.High":0.65131,"Affinity.Kd.Med":650.332,"Affinity.Kd.Low":328.29692,"Affinity.Kd.High":1966.17875,"Decreases.Prob":1,"Saturates.Prob":0.98322,"Slope.1uM.Median":0.00694,"Slope.10uM.Median":0.00306,"CLint.1uM.Median":13.88639,"CLint.1uM.Low95th":8.53866,"CLint.1uM.High95th":15.70758,"CLint.10uM.Median":6.11986,"CLint.10uM.Low95th":2.13123,"CLint.10uM.High95th":7.84838,"CLint.1uM.Point":15.1253,"CLint.10uM.Point":7.03454,"Fit":"Decreasing","SMILES":"CN(C)C1=CC2=[S+]C3=C(C=CC(=C3)N(C)C)N=C2C=C1"}
{"DTXSID":"DTXSID0024002","Name":"Fenpropathrin","CAS":"39515-41-8","CompoundName":"1444866","Fup.point":0,"Base.Fup.Med":3.60925e-06,"Base.Fup.Low":2.04301e-10,"Base.Fup.High":0.05166,"Affinity.Fup.Med":0.00424,"Affinity.Fup.Low":0.00144,"Affinity.Fup.High":0.01591,"Affinity.Kd.Med":4.47772,"Affinity.Kd.Low":1.52279,"Affinity.Kd.High":17.01869,"Decreases.Prob":1,"Saturates.Prob":0.48776,"Slope.1uM.Median":0.00983,"Slope.10uM.Median":0.00836,"CLint.1uM.Median":19.65492,"CLint.1uM.Low95th":11.41478,"CLint.1uM.High95th":31.3107,"CLint.10uM.Median":16.72633,"CLint.10uM.Low95th":7.78438,"CLint.10uM.High95th":22.8042,"CLint.1uM.Point":28.17468,"CLint.10uM.Point":19.50743,"Fit":"Decreasing","SMILES":"CC1(C)C(C(=O)OC(C#N)C2=CC=CC(OC3=CC=CC=C3)=C2)C1(C)C"}
{"DTXSID":"DTXSID0024052","Name":"Dimethipin","CAS":"55290-64-7","CompoundName":"EV0002011","Fup.point":1.07081,"Base.Fup.Med":0.79105,"Base.Fup.Low":0.53417,"Base.Fup.High":0.98765,"Affinity.Fup.Med":0.93566,"Affinity.Fup.Low":0.64931,"Affinity.Fup.High":0.98842,"Affinity.Kd.Med":15306.75,"Affinity.Kd.Low":1948.9585,"Affinity.Kd.High":89827.73,"SMILES":"CC1=C(C)S(=O)(=O)CCS1(=O)=O"}
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{"DTXSID":"DTXSID0048189","Name":"Lauryl gallate","CAS":"1166-52-5","CompoundName":"EV0001414","Fup.point":0.00211,"Base.Fup.Med":2.45011e-06,"Base.Fup.Low":1.94331e-10,"Base.Fup.High":0.06975,"Affinity.Fup.Med":1.45982e-08,"Affinity.Fup.Low":1.77102e-13,"Affinity.Fup.High":0.00419,"Affinity.Kd.Med":0.00002,"Affinity.Kd.Low":1.86423e-10,"Affinity.Kd.High":4.42598,"Decreases.Prob":0.00226,"Saturates.Prob":0.49758,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":0,"CLint.10uM.Point":0,"Fit":"Point Est. Zero","SMILES":"CCCCCCCCCCCCOC(=O)C1=CC(O)=C(O)C(O)=C1"}
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{"DTXSID":"DTXSID1020069","Name":"2-Amino-5-azotoluene","CAS":"97-56-3","CompoundName":"EV0001341","Fup.point":0.00026,"Base.Fup.Med":2.22422e-06,"Base.Fup.Low":1.57664e-10,"Base.Fup.High":0.06258,"Affinity.Fup.Med":0.00744,"Affinity.Fup.Low":0.0026,"Affinity.Fup.High":0.02497,"Affinity.Kd.Med":7.88801,"Affinity.Kd.Low":2.74623,"Affinity.Kd.High":26.95243,"Decreases.Prob":1,"Saturates.Prob":0.58762,"Slope.1uM.Median":0.00344,"Slope.10uM.Median":0.00258,"CLint.1uM.Median":6.88506,"CLint.1uM.Low95th":3.45098,"CLint.1uM.High95th":11.41749,"CLint.10uM.Median":5.16971,"CLint.10uM.Low95th":1.82071,"CLint.10uM.High95th":7.72858,"CLint.1uM.Point":10.43757,"CLint.10uM.Point":5.89828,"Fit":"Decreasing","SMILES":"CC1=C(N)C=CC(=C1)N=NC1=C(C)C=CC=C1"}
{"DTXSID":"DTXSID1020431","Name":"1,4-Dichlorobenzene","CAS":"106-46-7","CompoundName":"BF00174529","Decreases.Prob":1,"Saturates.Prob":0.71528,"Slope.1uM.Median":0.06525,"Slope.10uM.Median":0.0243,"CLint.1uM.Median":130.499,"CLint.1uM.Low95th":38.50221,"CLint.1uM.High95th":1217.0821,"CLint.10uM.Median":48.5907,"CLint.10uM.Low95th":34.82113,"CLint.10uM.High95th":107.95224,"CLint.1uM.Point":0,"CLint.10uM.Point":35.29376,"Fit":"Point Est. Zero","SMILES":"ClC1=CC=C(Cl)C=C1"}
{"DTXSID":"DTXSID1020485","Name":"3,3'-Dimethoxybenzidine dihydrochloride","CAS":"20325-40-0","CompoundName":"EV0001454","Fup.point":0.16874,"Base.Fup.Med":0.17954,"Base.Fup.Low":3.92651e-10,"Base.Fup.High":0.39543,"Affinity.Fup.Med":0.20149,"Affinity.Fup.Low":0.15216,"Affinity.Fup.High":0.28453,"Affinity.Kd.Med":265.6085,"Affinity.Kd.Low":188.91912,"Affinity.Kd.High":418.60415,"Decreases.Prob":0.94994,"Saturates.Prob":0.37836,"Slope.1uM.Median":0.00161,"Slope.10uM.Median":0.00142,"CLint.1uM.Median":3.22574,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":5.29198,"CLint.10uM.Median":2.83829,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":4.72802,"CLint.1uM.Point":3.94195,"CLint.10uM.Point":3.6325,"Fit":"Decreasing","SMILES":"COC1=CC(=CC=C1N)C1=CC(OC)=C(N)C=C1"}
{"DTXSID":"DTXSID1020807","Name":"2-Mercaptobenzothiazole","CAS":"149-30-4","CompoundName":"BF00175491","Fup.point":0.03501,"Base.Fup.Med":0.07916,"Base.Fup.Low":0.0336,"Base.Fup.High":0.21019,"Affinity.Fup.Med":0.06026,"Affinity.Fup.Low":0.03677,"Affinity.Fup.High":0.10799,"Affinity.Kd.Med":67.49655,"Affinity.Kd.Low":40.18739,"Affinity.Kd.High":127.44127,"Decreases.Prob":1,"Saturates.Prob":0.79974,"Slope.1uM.Median":0.01863,"Slope.10uM.Median":0.00934,"CLint.1uM.Median":37.2559,"CLint.1uM.Low95th":14.14384,"CLint.1uM.High95th":60.11081,"CLint.10uM.Median":18.68356,"CLint.10uM.Low95th":6.27388,"CLint.10uM.High95th":29.30668,"CLint.1uM.Point":26.01353,"CLint.10uM.Point":0,"Fit":"Decreasing","SMILES":"SC1=NC2=C(S1)C=CC=C2"}
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{"DTXSID":"DTXSID1020930","Name":"Nicotine","CAS":"54-11-5","CompoundName":"TX004468","Fup.point":0.39364,"Base.Fup.Med":0.40946,"Base.Fup.Low":0.24296,"Base.Fup.High":0.73576,"Affinity.Fup.Med":0.40443,"Affinity.Fup.Low":0.30372,"Affinity.Fup.High":0.5492,"Affinity.Kd.Med":714.803,"Affinity.Kd.Low":459.16242,"Affinity.Kd.High":1282.3945,"Decreases.Prob":1,"Saturates.Prob":0.35098,"Slope.1uM.Median":0.00222,"Slope.10uM.Median":0.00201,"CLint.1uM.Median":4.43737,"CLint.1uM.Low95th":2.14843,"CLint.1uM.High95th":7.30406,"CLint.10uM.Median":4.02888,"CLint.10uM.Low95th":1.44206,"CLint.10uM.High95th":5.83961,"CLint.1uM.Point":5.81993,"CLint.10uM.Point":4.88237,"Fit":"Decreasing","SMILES":"CN1CCCC1C1=CN=CC=C1"}
{"DTXSID":"DTXSID1020932","Name":"Nicotinic acid","CAS":"59-67-6","CompoundName":"EV0001845","Fup.point":0.69941,"Base.Fup.Med":0.62038,"Base.Fup.Low":0.51494,"Base.Fup.High":0.76411,"Affinity.Fup.Med":0.5981,"Affinity.Fup.Low":0.52606,"Affinity.Fup.High":0.69927,"Affinity.Kd.Med":1566.53,"Affinity.Kd.Low":1168.396,"Affinity.Kd.High":2447.59425,"Decreases.Prob":0.95234,"Saturates.Prob":0.48684,"Slope.1uM.Median":0.00177,"Slope.10uM.Median":0.00143,"CLint.1uM.Median":3.53973,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":7.65557,"CLint.10uM.Median":2.86646,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":4.80424,"CLint.1uM.Point":0,"CLint.10uM.Point":3.48638,"Fit":"Point Est. Zero","SMILES":"OC(=O)C1=CC=CN=C1"}
{"DTXSID":"DTXSID1021031","Name":"4-Nitrosodiphenylamine","CAS":"156-10-5","CompoundName":"EV0001362","Fup.point":0.17309,"Base.Fup.Med":0.00019,"Base.Fup.Low":1.91599e-10,"Base.Fup.High":0.38945,"Affinity.Fup.Med":0.11902,"Affinity.Fup.Low":5.5404e-10,"Affinity.Fup.High":0.28457,"Affinity.Kd.Med":142.2125,"Affinity.Kd.Low":5.832e-07,"Affinity.Kd.High":418.6996,"Decreases.Prob":1,"Saturates.Prob":0.38844,"Slope.1uM.Median":0.41948,"Slope.10uM.Median":0.33839,"CLint.1uM.Median":838.952,"CLint.1uM.Low95th":183.09049,"CLint.1uM.High95th":1307.8162,"CLint.10uM.Median":676.775,"CLint.10uM.Low95th":117.47257,"CLint.10uM.High95th":1289.791,"CLint.1uM.Point":0,"CLint.10uM.Point":77.90238,"Fit":"Point Est. Zero","SMILES":"O=NC1=CC=C(NC2=CC=CC=C2)C=C1"}
{"DTXSID":"DTXSID1021160","Name":"Picloram","CAS":"1918-02-1","CompoundName":"BF00175303","Fup.point":0.21807,"Base.Fup.Med":0.23936,"Base.Fup.Low":0.20295,"Base.Fup.High":0.29236,"Affinity.Fup.Med":0.2298,"Affinity.Fup.Low":0.19877,"Affinity.Fup.High":0.27404,"Affinity.Kd.Med":314.074,"Affinity.Kd.Low":261.1326,"Affinity.Kd.High":397.34507,"Decreases.Prob":0.00266,"Saturates.Prob":0.50024,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":0,"CLint.10uM.Point":0,"Fit":"Point Est. Zero","SMILES":"NC1=C(Cl)C(Cl)=NC(C(O)=O)=C1Cl"}
{"DTXSID":"DTXSID1021160","Name":"Picloram","CAS":"1918-02-1","CompoundName":"TX002801","Fup.point":0.30777,"Base.Fup.Med":0.32052,"Base.Fup.Low":1.52155e-08,"Base.Fup.High":0.41329,"Affinity.Fup.Med":0.31806,"Affinity.Fup.Low":0.14679,"Affinity.Fup.High":0.85727,"Affinity.Kd.Med":490.957,"Affinity.Kd.Low":181.09553,"Affinity.Kd.High":6322.62025,"SMILES":"NC1=C(Cl)C(Cl)=NC(C(O)=O)=C1Cl"}
{"DTXSID":"DTXSID1021243","Name":"Rhodamine 6G","CAS":"989-38-8","CompoundName":"EV0000612","Fup.point":0.07322,"Base.Fup.Med":6.36997e-06,"Base.Fup.Low":1.80325e-10,"Base.Fup.High":0.13192,"Affinity.Fup.Med":3.40566e-07,"Affinity.Fup.Low":2.16127e-13,"Affinity.Fup.High":0.09273,"Affinity.Kd.Med":0.00036,"Affinity.Kd.Low":2.27503e-10,"Affinity.Kd.High":107.59065,"Decreases.Prob":0.00106,"Saturates.Prob":0.49824,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":5.29306,"CLint.10uM.Point":0,"Fit":"Bayesian Zero","SMILES":"CCNC1=CC2=[O+]C3=C(C=C(C)C(NCC)=C3)C(=C2C=C1C)C1=C(C=CC=C1)C(=O)OCC"}
{"DTXSID":"DTXSID1021247","Name":"C.I. Basic Red 9 monohydrochloride","CAS":"569-61-9","CompoundName":"EV0001466","Fup.point":0.25867,"Base.Fup.Med":0.26269,"Base.Fup.Low":4.45414e-10,"Base.Fup.High":0.46878,"Affinity.Fup.Med":0.23483,"Affinity.Fup.Low":0.10923,"Affinity.Fup.High":0.39366,"Affinity.Kd.Med":323.0465,"Affinity.Kd.Low":129.0775,"Affinity.Kd.High":683.42277,"Decreases.Prob":1,"Saturates.Prob":0.87646,"Slope.1uM.Median":0.00161,"Slope.10uM.Median":0.00037,"CLint.1uM.Median":3.22522,"CLint.1uM.Low95th":0.66091,"CLint.1uM.High95th":6.29947,"CLint.10uM.Median":0.74091,"CLint.10uM.Low95th":0.04452,"CLint.10uM.High95th":2.08906,"CLint.1uM.Point":5.91213,"CLint.10uM.Point":0,"Fit":"Decreasing","SMILES":"NC1=CC=C(C=C1)C(C1=CC=C(N)C=C1)=C1C=CC(=N)C=C1"}
{"DTXSID":"DTXSID1021299","Name":"Chlorotrianisene","CAS":"569-57-3","CompoundName":"BF00174584","Fup.point":0.00002,"Base.Fup.Med":1.36207e-06,"Base.Fup.Low":1.54975e-10,"Base.Fup.High":0.01868,"Affinity.Fup.Med":3.82068e-06,"Affinity.Fup.Low":2.48158e-13,"Affinity.Fup.High":0.01869,"Affinity.Kd.Med":0.00402,"Affinity.Kd.Low":2.61219e-10,"Affinity.Kd.High":20.04497,"Decreases.Prob":0.02112,"Saturates.Prob":0.49386,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":21.31294,"CLint.10uM.Point":20.53769,"Fit":"Bayesian Zero","SMILES":"COC1=CC=C(C=C1)C(Cl)=C(C1=CC=C(OC)C=C1)C1=CC=C(OC)C=C1"}
{"DTXSID":"DTXSID1021322","Name":"Disulfiram","CAS":"97-77-8","CompoundName":"EV0000651","Decreases.Prob":0.459,"Saturates.Prob":0.49688,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":1257.2882,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":1191.52075,"CLint.1uM.Point":0,"Fit":"Point Est. Zero","SMILES":"CCN(CC)C(=S)SSC(=S)N(CC)CC"}
{"DTXSID":"DTXSID1022267","Name":"Methomyl","CAS":"16752-77-5","CompoundName":"TX004699","Fup.point":0.81279,"Base.Fup.Med":0.6915,"Base.Fup.Low":0.54995,"Base.Fup.High":0.85058,"Affinity.Fup.Med":0.7164,"Affinity.Fup.Low":0.55792,"Affinity.Fup.High":0.90601,"Affinity.Kd.Med":2659.06,"Affinity.Kd.Low":1328.44275,"Affinity.Kd.High":10146.93,"Decreases.Prob":0.99974,"Saturates.Prob":0.22678,"Slope.1uM.Median":0.00103,"Slope.10uM.Median":0.00098,"CLint.1uM.Median":2.05402,"CLint.1uM.Low95th":1.04646,"CLint.1uM.High95th":3.07169,"CLint.10uM.Median":1.95883,"CLint.10uM.Low95th":0.85545,"CLint.10uM.High95th":2.98596,"CLint.1uM.Point":2.05307,"CLint.10uM.Point":3.05847,"Fit":"Decreasing","SMILES":"CNC(=O)ON=C(C)SC"}
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{"DTXSID":"DTXSID1024126","Name":"Heptachlor epoxide","CAS":"1024-57-3","CompoundName":"BF00174502","Decreases.Prob":0.00172,"Saturates.Prob":0.50206,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":0,"CLint.10uM.Point":0,"Fit":"Point Est. Zero","SMILES":"ClC1C2OC2C2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl"}
{"DTXSID":"DTXSID1024259","Name":"Phosalone","CAS":"2310-17-0","CompoundName":"BF00175313","Fup.point":0.00122,"Base.Fup.Med":2.77056e-06,"Base.Fup.Low":1.73239e-10,"Base.Fup.High":0.05184,"Affinity.Fup.Med":0.00511,"Affinity.Fup.Low":0.00237,"Affinity.Fup.High":0.01554,"Affinity.Kd.Med":5.41145,"Affinity.Kd.Low":2.49995,"Affinity.Kd.High":16.61834,"Decreases.Prob":1,"Saturates.Prob":0.29966,"Slope.1uM.Median":0.01254,"Slope.10uM.Median":0.01167,"CLint.1uM.Median":25.089,"CLint.1uM.Low95th":14.08861,"CLint.1uM.High95th":33.22725,"CLint.10uM.Median":23.3322,"CLint.10uM.Low95th":9.42854,"CLint.10uM.High95th":32.207,"CLint.1uM.Point":54.97115,"CLint.10uM.Point":31.42329,"Fit":"Decreasing","SMILES":"CCOP(=S)(OCC)SCN1C(=O)OC2=CC(Cl)=CC=C12"}
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{"DTXSID":"DTXSID1026035","Name":"Sodium 2-mercaptobenzothiolate","CAS":"2492-26-4","CompoundName":"EV0001358","Fup.point":0.03375,"Base.Fup.Med":0.05381,"Base.Fup.Low":0.0363,"Base.Fup.High":0.11312,"Affinity.Fup.Med":0.0368,"Affinity.Fup.Low":0.03272,"Affinity.Fup.High":0.04177,"Affinity.Kd.Med":40.21945,"Affinity.Kd.Low":35.60343,"Affinity.Kd.High":45.88685,"Decreases.Prob":1,"Saturates.Prob":1,"Slope.1uM.Median":0.02083,"Slope.10uM.Median":0.0062,"CLint.1uM.Median":41.6592,"CLint.1uM.Low95th":29.81079,"CLint.1uM.High95th":49.14095,"CLint.10uM.Median":12.40752,"CLint.10uM.Low95th":4.68929,"CLint.10uM.High95th":19.58158,"CLint.1uM.Point":68.66124,"CLint.10uM.Point":32.91441,"Fit":"Decreasing","SMILES":"SC1=NC2=C(S1)C=CC=C2"}
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{"DTXSID":"DTXSID1026665","Name":"3-Pyridinecarbonitrile","CAS":"100-54-9","CompoundName":"EV0002021","Decreases.Prob":0.00032,"Saturates.Prob":0.5014,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":-9.82225,"CLint.10uM.Point":-20.87776,"Fit":"Bayesian Zero","SMILES":"N#CC1=CN=CC=C1"}
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{"DTXSID":"DTXSID1026792","Name":"3-Methylanulline","CAS":"108-44-1","CompoundName":"EV0001869","Fup.point":0.72137,"Base.Fup.Med":0.63181,"Base.Fup.Low":0.00002,"Base.Fup.High":0.87711,"Affinity.Fup.Med":0.67828,"Affinity.Fup.Low":0.51375,"Affinity.Fup.High":0.97265,"Affinity.Kd.Med":2219.245,"Affinity.Kd.Low":1112.17975,"Affinity.Kd.High":37435.55,"Decreases.Prob":0.99926,"Saturates.Prob":0.75122,"Slope.1uM.Median":0.01645,"Slope.10uM.Median":0.0057,"CLint.1uM.Median":32.9007,"CLint.1uM.Low95th":7.43653,"CLint.1uM.High95th":1041.52215,"CLint.10uM.Median":11.406,"CLint.10uM.Low95th":5.2676,"CLint.10uM.High95th":16.25421,"CLint.1uM.Point":0,"CLint.10uM.Point":11.1948,"Fit":"Point Est. Zero","SMILES":"CC1=CC(N)=CC=C1"}
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{"DTXSID":"DTXSID1026906","Name":"N,N-Dimethyldodecan-1-amine","CAS":"112-18-5","CompoundName":"EV0002319","Fup.point":-0.00034,"Base.Fup.Med":2.65613e-06,"Base.Fup.Low":1.80693e-10,"Base.Fup.High":0.04195,"Affinity.Fup.Med":0.00669,"Affinity.Fup.Low":0.00257,"Affinity.Fup.High":0.03946,"Affinity.Kd.Med":7.08619,"Affinity.Kd.Low":2.71676,"Affinity.Kd.High":43.24169,"Decreases.Prob":1,"Saturates.Prob":0.68748,"Slope.1uM.Median":0.01712,"Slope.10uM.Median":0.01323,"CLint.1uM.Median":34.2446,"CLint.1uM.Low95th":23.64135,"CLint.1uM.High95th":46.17803,"CLint.10uM.Median":26.4647,"CLint.10uM.Low95th":15.5788,"CLint.10uM.High95th":33.22168,"CLint.1uM.Point":32.53422,"CLint.10uM.Point":27.72737,"Fit":"Decreasing","SMILES":"CCCCCCCCCCCCN(C)C"}
{"DTXSID":"DTXSID1027184","Name":"Decamethylcyclopentasiloxane","CAS":"541-02-6","CompoundName":"BF00175295","Decreases.Prob":0.00046,"Saturates.Prob":0.49926,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":0,"CLint.10uM.Point":0,"Fit":"Point Est. Zero","SMILES":"C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1"}
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{"DTXSID":"DTXSID2020713","Name":"Hydrochlorothiazide","CAS":"58-93-5","CompoundName":"EV0000630","Fup.point":0.18216,"Base.Fup.Med":0.21022,"Base.Fup.Low":1.30853e-09,"Base.Fup.High":0.30822,"Affinity.Fup.Med":0.27482,"Affinity.Fup.Low":0.2235,"Affinity.Fup.High":0.33375,"Affinity.Kd.Med":398.911,"Affinity.Kd.Low":302.9873,"Affinity.Kd.High":527.29267,"Decreases.Prob":0.00232,"Saturates.Prob":0.49748,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":0,"CLint.10uM.Point":0,"Fit":"Point Est. Zero","SMILES":"NS(=O)(=O)C1=CC2=C(NCNS2(=O)=O)C=C1Cl"}
{"DTXSID":"DTXSID2020890","Name":"6-Methyl-2-thiouracil","CAS":"56-04-2","CompoundName":"EV0001344","Decreases.Prob":0.00048,"Saturates.Prob":0.49898,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":0,"CLint.10uM.Point":0,"Fit":"Point Est. Zero","SMILES":"CC1=NC(=S)NC(=O)C1"}
{"DTXSID":"DTXSID2020894","Name":"Michler's ketone","CAS":"90-94-8","CompoundName":"BF00175238","Fup.point":0.00449,"Base.Fup.Med":0.0186,"Base.Fup.Low":0.01356,"Base.Fup.High":0.02602,"Affinity.Fup.Med":0.01008,"Affinity.Fup.Low":0.00671,"Affinity.Fup.High":0.02155,"Affinity.Kd.Med":10.71605,"Affinity.Kd.Low":7.11609,"Affinity.Kd.High":23.18026,"Decreases.Prob":1,"Saturates.Prob":0.99978,"Slope.1uM.Median":0.01959,"Slope.10uM.Median":0.00715,"CLint.1uM.Median":39.1815,"CLint.1uM.Low95th":30.80013,"CLint.1uM.High95th":44.91562,"CLint.10uM.Median":14.29881,"CLint.10uM.Low95th":5.1766,"CLint.10uM.High95th":20.20661,"CLint.1uM.Point":37.17093,"CLint.10uM.Point":14.89754,"Fit":"Decreasing","SMILES":"CN(C)C1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)N(C)C"}
{"DTXSID":"DTXSID2021105","Name":"Pentachloronitrobenzene","CAS":"82-68-8","CompoundName":"BF00174509","Decreases.Prob":1,"Saturates.Prob":0.40224,"Slope.1uM.Median":0.40928,"Slope.10uM.Median":0.31991,"CLint.1uM.Median":818.55,"CLint.1uM.Low95th":185.43131,"CLint.1uM.High95th":1307.50605,"CLint.10uM.Median":639.823,"CLint.10uM.Low95th":118.9117,"CLint.10uM.High95th":1288.3721,"CLint.10uM.Point":20.01743,"Fit":"Decreasing","SMILES":"[O-][N+](=O)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl"}
{"DTXSID":"DTXSID2021311","Name":"2,4,6-Tris(tert-butyl)phenol","CAS":"732-26-3","CompoundName":"BF00175282","Decreases.Prob":1,"Saturates.Prob":0.7133,"Slope.1uM.Median":0.02036,"Slope.10uM.Median":0.00873,"CLint.1uM.Median":40.7293,"CLint.1uM.Low95th":9.78408,"CLint.1uM.High95th":174.12809,"CLint.10uM.Median":17.46097,"CLint.10uM.Low95th":4.53255,"CLint.10uM.High95th":28.69142,"CLint.1uM.Point":19.97937,"CLint.10uM.Point":29.16818,"Fit":"Decreasing","SMILES":"CC(C)(C)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C"}
{"DTXSID":"DTXSID2021440","Name":"N-Vinyl-2-pyrrolidone","CAS":"88-12-0","CompoundName":"EV0001983","Fup.point":17.41719,"Base.Fup.Med":0.0001,"Base.Fup.Low":2.54336e-10,"Base.Fup.High":0.9565,"Affinity.Fup.Med":0.9499,"Affinity.Fup.Low":0.70137,"Affinity.Fup.High":0.98881,"Affinity.Kd.Med":19956,"Affinity.Kd.Low":2472.2035,"Affinity.Kd.High":93043.7525,"Decreases.Prob":0.00106,"Saturates.Prob":0.50254,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":0,"CLint.10uM.Point":0,"Fit":"Point Est. Zero","SMILES":"C=CN1CCCC1=O"}
{"DTXSID":"DTXSID2022121","Name":"Triphenylphosphine oxide","CAS":"791-28-6","CompoundName":"EV0001440","Fup.point":0.09371,"Base.Fup.Med":0.11068,"Base.Fup.Low":0.09385,"Base.Fup.High":0.1669,"Affinity.Fup.Med":0.10104,"Affinity.Fup.Low":0.09461,"Affinity.Fup.High":0.11162,"Affinity.Kd.Med":118.315,"Affinity.Kd.Low":110.00055,"Affinity.Kd.High":132.2578,"Decreases.Prob":0.00038,"Saturates.Prob":0.50298,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":0,"CLint.10uM.Point":-3.55764,"Fit":"Point Est. Zero","SMILES":"O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1"}
{"DTXSID":"DTXSID2022179","Name":"Pentachloropyridine","CAS":"2176-62-7","CompoundName":"EV0001854","Fup.point":0,"Base.Fup.Med":1.90954e-06,"Base.Fup.Low":1.57452e-10,"Base.Fup.High":0.03273,"Affinity.Fup.Med":4.38878e-08,"Affinity.Fup.Low":1.68474e-13,"Affinity.Fup.High":0.00845,"Affinity.Kd.Med":0.00005,"Affinity.Kd.Low":1.77341e-10,"Affinity.Kd.High":8.97573,"Decreases.Prob":0.99938,"Saturates.Prob":0.9913,"Slope.1uM.Median":0.18123,"Slope.10uM.Median":0.00067,"CLint.1uM.Median":362.466,"CLint.1uM.Low95th":6.91856,"CLint.1uM.High95th":1248.8568,"CLint.10uM.Median":1.3431,"CLint.10uM.Low95th":0.05342,"CLint.10uM.High95th":5.83782,"CLint.10uM.Point":0,"Fit":"Decreasing","SMILES":"ClC1=NC(Cl)=C(Cl)C(Cl)=C1Cl"}
{"DTXSID":"DTXSID2022254","Name":"Terbufos","CAS":"13071-79-9","CompoundName":"1444843","Fup.point":0.01805,"Base.Fup.Med":0.04964,"Base.Fup.Low":0.01923,"Base.Fup.High":0.18411,"Affinity.Fup.Med":0.03308,"Affinity.Fup.Low":0.01959,"Affinity.Fup.High":0.04373,"Affinity.Kd.Med":36.0127,"Affinity.Kd.Low":21.02892,"Affinity.Kd.High":48.14028,"Decreases.Prob":1,"Saturates.Prob":0.34614,"Slope.1uM.Median":0.01624,"Slope.10uM.Median":0.01489,"CLint.1uM.Median":32.4865,"CLint.1uM.Low95th":16.47779,"CLint.1uM.High95th":53.27849,"CLint.10uM.Median":29.785,"CLint.10uM.Low95th":12.18606,"CLint.10uM.High95th":40.94001,"CLint.1uM.Point":26.76097,"CLint.10uM.Point":31.88228,"Fit":"Decreasing","SMILES":"CCOP(=S)(OCC)SCSC(C)(C)C"}
{"DTXSID":"DTXSID2022381","Name":"meso-Hexestrol","CAS":"84-16-2","CompoundName":"BF00174551","Fup.point":0.00149,"Base.Fup.Med":0.03631,"Base.Fup.Low":0.00483,"Base.Fup.High":0.21926,"Affinity.Fup.Med":0.00718,"Affinity.Fup.Low":0.00361,"Affinity.Fup.High":0.01765,"Affinity.Kd.Med":7.61238,"Affinity.Kd.Low":3.80977,"Affinity.Kd.High":18.91403,"Decreases.Prob":0.58978,"Saturates.Prob":0.7093,"Slope.1uM.Median":0.00702,"Slope.10uM.Median":0.00307,"CLint.1uM.Median":14.03562,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":1058.05965,"CLint.10uM.Median":6.14497,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":19.52422,"CLint.1uM.Point":0,"CLint.10uM.Point":0,"Fit":"Point Est. Zero","SMILES":"CCC(C(CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1"}
{"DTXSID":"DTXSID2022381","Name":"meso-Hexestrol","CAS":"84-16-2","CompoundName":"TX003991","Fup.point":-0.00041,"Base.Fup.Med":2.99035e-06,"Base.Fup.Low":1.55567e-10,"Base.Fup.High":0.0373,"Affinity.Fup.Med":0.00649,"Affinity.Fup.Low":0.00223,"Affinity.Fup.High":0.02512,"Affinity.Kd.Med":6.87401,"Affinity.Kd.Low":2.35483,"Affinity.Kd.High":27.1244,"SMILES":"CCC(C(CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1"}
{"DTXSID":"DTXSID2022678","Name":"Bicalutamide","CAS":"90357-06-5","CompoundName":"EV0001894","Fup.point":0.02855,"Base.Fup.Med":0.06175,"Base.Fup.Low":0.03188,"Base.Fup.High":0.13192,"Affinity.Fup.Med":0.03191,"Affinity.Fup.Low":0.02667,"Affinity.Fup.High":0.04571,"Affinity.Kd.Med":34.7018,"Affinity.Kd.Low":28.84039,"Affinity.Kd.High":50.41504,"Decreases.Prob":0.00016,"Saturates.Prob":0.49516,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":0,"CLint.10uM.Point":-2.23161,"Fit":"Point Est. Zero","SMILES":"CC(O)(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F"}
{"DTXSID":"DTXSID2023224","Name":"Loratadine","CAS":"79794-75-5","CompoundName":"EV0002364","Fup.point":0.00332,"Base.Fup.Med":0.01583,"Base.Fup.Low":0.00716,"Base.Fup.High":0.02602,"Affinity.Fup.Med":0.0091,"Affinity.Fup.Low":0.00556,"Affinity.Fup.High":0.02097,"Affinity.Kd.Med":9.6623,"Affinity.Kd.Low":5.88103,"Affinity.Kd.High":22.54647,"Decreases.Prob":1,"Saturates.Prob":0.98744,"Slope.1uM.Median":0.01696,"Slope.10uM.Median":0.0099,"CLint.1uM.Median":33.9148,"CLint.1uM.Low95th":26.28388,"CLint.1uM.High95th":37.59862,"CLint.10uM.Median":19.80313,"CLint.10uM.Low95th":13.78777,"CLint.10uM.High95th":23.20303,"CLint.1uM.Point":36.19065,"CLint.10uM.Point":21.07837,"Fit":"Decreasing","SMILES":"CCOC(=O)N1CCC(CC1)=C1C2=C(CCC3=C1N=CC=C3)C=C(Cl)C=C2"}
{"DTXSID":"DTXSID2024086","Name":"Ethion","CAS":"563-12-2","CompoundName":"BF00174539","Fup.point":0.00052,"Base.Fup.Med":1.94971e-06,"Base.Fup.Low":1.90896e-10,"Base.Fup.High":0.04054,"Affinity.Fup.Med":2.08401e-08,"Affinity.Fup.Low":2.06601e-13,"Affinity.Fup.High":0.00382,"Affinity.Kd.Med":0.00002,"Affinity.Kd.Low":2.17475e-10,"Affinity.Kd.High":4.03687,"SMILES":"CCOP(=S)(OCC)SCSP(=S)(OCC)OCC"}
{"DTXSID":"DTXSID2025133","Name":"1,2-Dimethyl-4-nitrobenzene","CAS":"99-51-4","CompoundName":"EV0001939","Decreases.Prob":1,"Saturates.Prob":1,"Slope.1uM.Median":0.22725,"Slope.10uM.Median":0.00935,"CLint.1uM.Median":454.499,"CLint.1uM.Low95th":54.47566,"CLint.1uM.High95th":1263.62275,"CLint.10uM.Median":18.70207,"CLint.10uM.Low95th":5.30937,"CLint.10uM.High95th":32.11463,"CLint.10uM.Point":37.00182,"Fit":"Decreasing","SMILES":"CC1=CC=C(C=C1C)[N+]([O-])=O"}
{"DTXSID":"DTXSID2025680","Name":"MEHP","CAS":"4376-20-9","CompoundName":"1444875","Decreases.Prob":0.19496,"Saturates.Prob":0.53688,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":14.27986,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":8.15411,"CLint.1uM.Point":15.82146,"CLint.10uM.Point":0,"Fit":"Bayesian Zero","SMILES":"CCCCC(CC)COC(=O)C1=CC=CC=C1C(O)=O"}
{"DTXSID":"DTXSID2025680","Name":"MEHP","CAS":"4376-20-9","CompoundName":"BF00174554","Fup.point":0.34377,"Base.Fup.Med":0.39247,"Base.Fup.Low":0.1961,"Base.Fup.High":0.66659,"Affinity.Fup.Med":0.27105,"Affinity.Fup.Low":1.69852e-12,"Affinity.Fup.High":0.97389,"Affinity.Kd.Med":391.4065,"Affinity.Kd.Low":1.78791e-09,"Affinity.Kd.High":39260.385,"SMILES":"CCCCC(CC)COC(=O)C1=CC=CC=C1C(O)=O"}
{"DTXSID":"DTXSID2025892","Name":"N-Phenyl-1-naphthylamine","CAS":"90-30-2","CompoundName":"EV0001364","Fup.point":0.00009,"Base.Fup.Med":1.769e-06,"Base.Fup.Low":1.55177e-10,"Base.Fup.High":0.03796,"Affinity.Fup.Med":0.00134,"Affinity.Fup.Low":0.00112,"Affinity.Fup.High":0.00165,"Affinity.Kd.Med":1.41076,"Affinity.Kd.Low":1.18181,"Affinity.Kd.High":1.73545,"Decreases.Prob":1,"Saturates.Prob":0.99052,"Slope.1uM.Median":0.04908,"Slope.10uM.Median":0.00288,"CLint.1uM.Median":98.1683,"CLint.1uM.Low95th":14.00676,"CLint.1uM.High95th":271.38115,"CLint.10uM.Median":5.76127,"CLint.10uM.Low95th":0.98422,"CLint.10uM.High95th":11.11526,"CLint.1uM.Point":24.63627,"CLint.10uM.Point":0,"Fit":"Decreasing","SMILES":"N(C1=CC=CC=C1)C1=C2C=CC=CC2=CC=C1"}
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{"DTXSID":"DTXSID2026525","Name":"2-tert-Butylphenol","CAS":"88-18-6","CompoundName":"EV0001992","Fup.point":0.05298,"Base.Fup.Med":0.16212,"Base.Fup.Low":0.07203,"Base.Fup.High":0.35814,"Affinity.Fup.Med":0.00013,"Affinity.Fup.Low":2.60361e-13,"Affinity.Fup.High":0.03314,"Affinity.Kd.Med":0.13395,"Affinity.Kd.Low":2.74065e-10,"Affinity.Kd.High":36.08406,"Decreases.Prob":1,"Saturates.Prob":0.6645,"Slope.1uM.Median":0.02985,"Slope.10uM.Median":0.02353,"CLint.1uM.Median":59.7032,"CLint.1uM.Low95th":42.45336,"CLint.1uM.High95th":97.80377,"CLint.10uM.Median":47.0584,"CLint.10uM.Low95th":38.149,"CLint.10uM.High95th":53.02004,"CLint.1uM.Point":55.08969,"CLint.10uM.Point":49.14622,"Fit":"Decreasing","SMILES":"CC(C)(C)C1=C(O)C=CC=C1"}
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{"DTXSID":"DTXSID3047425","Name":"4-Butylphenol","CAS":"1638-22-8","CompoundName":"EV0001412","Fup.point":0.06343,"Base.Fup.Med":0.18454,"Base.Fup.Low":0.08203,"Base.Fup.High":0.38007,"Affinity.Fup.Med":0.03393,"Affinity.Fup.Low":2.40679e-10,"Affinity.Fup.High":0.04933,"Affinity.Kd.Med":36.9724,"Affinity.Kd.Low":2.53346e-07,"Affinity.Kd.High":54.61608,"Decreases.Prob":1,"Saturates.Prob":0.99918,"Slope.1uM.Median":0.06345,"Slope.10uM.Median":0.00873,"CLint.1uM.Median":126.898,"CLint.1uM.Low95th":71.66733,"CLint.1uM.High95th":173.86933,"CLint.10uM.Median":17.46695,"CLint.10uM.Low95th":10.47505,"CLint.10uM.High95th":22.03801,"CLint.1uM.Point":87.94579,"CLint.10uM.Point":19.56514,"Fit":"Decreasing","SMILES":"CCCCC1=CC=C(O)C=C1"}
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{"DTXSID":"DTXSID4020822","Name":"Methotrexate","CAS":"59-05-2","CompoundName":"EV0000641","Fup.point":0.37198,"Base.Fup.Med":0.40674,"Base.Fup.Low":0.24109,"Base.Fup.High":0.71504,"Affinity.Fup.Med":0.43616,"Affinity.Fup.Low":0.3181,"Affinity.Fup.High":0.64984,"Affinity.Kd.Med":814.274,"Affinity.Kd.Low":491.04327,"Affinity.Kd.High":1953.4815,"Decreases.Prob":0.00034,"Saturates.Prob":0.50302,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":-3.44964,"CLint.10uM.Point":0,"Fit":"Bayesian Zero","SMILES":"CN(CC1=CN=C2N=C(N)N=C(N)C2=N1)C1=CC=C(C=C1)C(=O)NC(CCC(O)=O)C(O)=O"}
{"DTXSID":"DTXSID4020828","Name":"4-Methoxyphenol","CAS":"150-76-5","CompoundName":"EV0001441","Decreases.Prob":1,"Saturates.Prob":0.8282,"Slope.1uM.Median":0.018,"Slope.10uM.Median":0.00225,"CLint.1uM.Median":35.9946,"CLint.1uM.Low95th":2.41191,"CLint.1uM.High95th":105.87981,"CLint.10uM.Median":4.50202,"CLint.10uM.Low95th":1.10382,"CLint.10uM.High95th":12.56887,"CLint.1uM.Point":75.37704,"CLint.10uM.Point":18.56043,"Fit":"Decreasing","SMILES":"COC1=CC=C(O)C=C1"}
{"DTXSID":"DTXSID4020870","Name":"2,2'-Methylenebis(4-methyl-6-tert-butylphenol)","CAS":"119-47-1","CompoundName":"BF00174486","Fup.point":-0.00002,"Base.Fup.Med":1.78212e-06,"Base.Fup.Low":1.57919e-10,"Base.Fup.High":0.02365,"Affinity.Fup.Med":2.79857e-08,"Affinity.Fup.Low":1.79043e-13,"Affinity.Fup.High":0.00199,"Affinity.Kd.Med":0.00003,"Affinity.Kd.Low":1.88466e-10,"Affinity.Kd.High":2.09483,"Decreases.Prob":1,"Saturates.Prob":0.58306,"Slope.1uM.Median":0.01119,"Slope.10uM.Median":0.00722,"CLint.1uM.Median":22.3816,"CLint.1uM.Low95th":9.64517,"CLint.1uM.High95th":37.17363,"CLint.10uM.Median":14.43054,"CLint.10uM.Low95th":3.16023,"CLint.10uM.High95th":32.97382,"CLint.1uM.Point":36.20751,"CLint.10uM.Point":9.05527,"Fit":"Decreasing","SMILES":"CC1=CC(CC2=CC(C)=CC(=C2O)C(C)(C)C)=C(O)C(=C1)C(C)(C)C"}
{"DTXSID":"DTXSID4020959","Name":"2-Methyl-5-nitroaniline","CAS":"99-55-8","CompoundName":"EV0000628","Decreases.Prob":1,"Saturates.Prob":0.19872,"Slope.1uM.Median":0.01121,"Slope.10uM.Median":0.01085,"CLint.1uM.Median":22.4251,"CLint.1uM.Low95th":10.64705,"CLint.1uM.High95th":31.7288,"CLint.10uM.Median":21.7051,"CLint.10uM.Low95th":7.41471,"CLint.10uM.High95th":31.2664,"CLint.1uM.Point":31.77865,"CLint.10uM.Point":32.02698,"Fit":"Decreasing","SMILES":"CC1=C(N)C=C(C=C1)[N+]([O-])=O"}
{"DTXSID":"DTXSID4021135","Name":"C.I. Solvent Yellow 14","CAS":"842-07-9","CompoundName":"EV0001379","Fup.point":-0.0005,"Base.Fup.Med":2.31619e-06,"Base.Fup.Low":1.53944e-10,"Base.Fup.High":0.06995,"Affinity.Fup.Med":0.00295,"Affinity.Fup.Low":0.0008,"Affinity.Fup.High":0.01389,"Affinity.Kd.Med":3.11189,"Affinity.Kd.Low":0.84604,"Affinity.Kd.High":14.83014,"Decreases.Prob":0.00096,"Saturates.Prob":0.49852,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":-13.99703,"CLint.10uM.Point":4.12645,"Fit":"Bayesian Zero","SMILES":"OC1=CC=C2C=CC=CC2=C1N=NC1=CC=CC=C1"}
{"DTXSID":"DTXSID4021137","Name":"1,3-Benzenediamine","CAS":"108-45-2","CompoundName":"BF00175280","Decreases.Prob":0.0269,"Saturates.Prob":0.50006,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":3.11106,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0.48821,"CLint.1uM.Point":14.43595,"CLint.10uM.Point":0,"Fit":"Bayesian Zero","SMILES":"NC1=CC(N)=CC=C1"}
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{"DTXSID":"DTXSID4021717","Name":"4-Chloro-3-methylphenol","CAS":"59-50-7","CompoundName":"EV0002010","Fup.point":0.05349,"Base.Fup.Med":0.08363,"Base.Fup.Low":0.05518,"Base.Fup.High":0.16617,"Affinity.Fup.Med":0.07251,"Affinity.Fup.Low":0.06102,"Affinity.Fup.High":0.09002,"Affinity.Kd.Med":82.28895,"Affinity.Kd.Low":68.40273,"Affinity.Kd.High":104.13382,"Decreases.Prob":0.00374,"Saturates.Prob":0.5004,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":-80.25931,"CLint.10uM.Point":-28.92391,"Fit":"Bayesian Zero","SMILES":"CC1=C(Cl)C=CC(O)=C1"}
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{"DTXSID":"DTXSID4022367","Name":"Estrone","CAS":"53-16-7","CompoundName":"TX010323","Fup.point":0.01546,"Base.Fup.Med":5.14909e-06,"Base.Fup.Low":1.83376e-10,"Base.Fup.High":0.06031,"Affinity.Fup.Med":0.03095,"Affinity.Fup.Low":0.02161,"Affinity.Fup.High":0.04706,"Affinity.Kd.Med":33.62255,"Affinity.Kd.Low":23.25014,"Affinity.Kd.High":51.98363,"Decreases.Prob":0.16646,"Saturates.Prob":0.53726,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":8.2742,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":3.4995,"CLint.1uM.Point":0,"CLint.10uM.Point":2.66315,"Fit":"Point Est. Zero","SMILES":"CC12CCC3C(CCC4=C3C=CC(O)=C4)C1CCC2=O"}
{"DTXSID":"DTXSID4022369","Name":"Fulvestrant","CAS":"129453-61-8","CompoundName":"TX014199","Fup.point":0.00009,"Base.Fup.Med":1.36358e-06,"Base.Fup.Low":1.62764e-10,"Base.Fup.High":0.01704,"Affinity.Fup.Med":0.00247,"Affinity.Fup.Low":0.00054,"Affinity.Fup.High":0.01631,"Affinity.Kd.Med":2.60654,"Affinity.Kd.Low":0.5723,"Affinity.Kd.High":17.45669,"Decreases.Prob":0.89476,"Saturates.Prob":0.29926,"Slope.1uM.Median":0.0012,"Slope.10uM.Median":0.00111,"CLint.1uM.Median":2.40026,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":3.97628,"CLint.10uM.Median":2.21476,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":3.76952,"CLint.1uM.Point":0,"CLint.10uM.Point":3.73407,"Fit":"Point Est. Zero","SMILES":"CC12CCC3C(C1CCC2O)C(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)CC1=CC(O)=CC=C31"}
{"DTXSID":"DTXSID4022446","Name":"Bisphenol F","CAS":"2467-02-9","CompoundName":"BF00174498","Fup.point":0.02307,"Base.Fup.Med":0.04778,"Base.Fup.Low":0.02922,"Base.Fup.High":0.11633,"Affinity.Fup.Med":0.0409,"Affinity.Fup.Low":0.02985,"Affinity.Fup.High":0.05911,"Affinity.Kd.Med":44.8881,"Affinity.Kd.Low":32.38846,"Affinity.Kd.High":66.13405,"Decreases.Prob":1,"Saturates.Prob":0.98982,"Slope.1uM.Median":0.04177,"Slope.10uM.Median":0.01406,"CLint.1uM.Median":83.5354,"CLint.1uM.Low95th":40.8072,"CLint.1uM.High95th":121.64413,"CLint.10uM.Median":28.1208,"CLint.10uM.Low95th":19.10919,"CLint.10uM.High95th":33.75801,"CLint.1uM.Point":45.57575,"CLint.10uM.Point":30.46789,"Fit":"Decreasing","SMILES":"OC1=C(CC2=C(O)C=CC=C2)C=CC=C1"}
{"DTXSID":"DTXSID4023541","Name":"Pyridoxine","CAS":"65-23-6","CompoundName":"EV0001999","Decreases.Prob":0.00038,"Saturates.Prob":0.5033,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":0,"CLint.10uM.Point":0,"Fit":"Point Est. Zero","SMILES":"CC1=C(O)C(CO)=C(CO)C=N1"}
{"DTXSID":"DTXSID4024274","Name":"Propachlor","CAS":"1918-16-7","CompoundName":"BF00175268","Fup.point":0.33022,"Base.Fup.Med":0.34394,"Base.Fup.Low":0.3184,"Base.Fup.High":0.36964,"Affinity.Fup.Med":0.34515,"Affinity.Fup.Low":0.31823,"Affinity.Fup.High":0.36897,"Affinity.Kd.Med":554.817,"Affinity.Kd.Low":491.3444,"Affinity.Kd.High":615.48375,"Decreases.Prob":1,"Saturates.Prob":0.07286,"Slope.1uM.Median":0.03485,"Slope.10uM.Median":0.03475,"CLint.1uM.Median":69.708,"CLint.1uM.Low95th":64.12077,"CLint.1uM.High95th":74.37862,"CLint.10uM.Median":69.5004,"CLint.10uM.Low95th":63.56113,"CLint.10uM.High95th":74.04402,"CLint.1uM.Point":71.49229,"CLint.10uM.Point":71.49229,"Fit":"Decreasing","SMILES":"CC(C)N(C(=O)CCl)C1=CC=CC=C1"}
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{"DTXSID":"DTXSID5020283","Name":"4-Chloro-1,2-diaminobenzene","CAS":"95-83-0","CompoundName":"EV0001859","Fup.point":0.40983,"Base.Fup.Med":0.40211,"Base.Fup.Low":0.27365,"Base.Fup.High":0.60735,"Affinity.Fup.Med":0.36818,"Affinity.Fup.Low":0.22552,"Affinity.Fup.High":0.66948,"Affinity.Kd.Med":613.405,"Affinity.Kd.Low":306.51668,"Affinity.Kd.High":2132.178,"Decreases.Prob":1,"Saturates.Prob":1,"Slope.1uM.Median":0.0158,"Slope.10uM.Median":0.00464,"CLint.1uM.Median":31.6087,"CLint.1uM.Low95th":23.58799,"CLint.1uM.High95th":39.27865,"CLint.10uM.Median":9.27843,"CLint.10uM.Low95th":1.84475,"CLint.10uM.High95th":13.4042,"CLint.1uM.Point":44.19661,"CLint.10uM.Point":12.52184,"Fit":"Decreasing","SMILES":"NC1=C(N)C=C(Cl)C=C1"}
{"DTXSID":"DTXSID5020366","Name":"Cyproterone acetate","CAS":"427-51-0","CompoundName":"EV0001865","Fup.point":0.03396,"Base.Fup.Med":0.08331,"Base.Fup.Low":0.03309,"Base.Fup.High":0.20486,"Affinity.Fup.Med":0.05867,"Affinity.Fup.Low":0.03716,"Affinity.Fup.High":0.10219,"Affinity.Kd.Med":65.6013,"Affinity.Kd.Low":40.62466,"Affinity.Kd.High":119.80685,"Decreases.Prob":1,"Saturates.Prob":0.65684,"Slope.1uM.Median":0.00223,"Slope.10uM.Median":0.00149,"CLint.1uM.Median":4.46032,"CLint.1uM.Low95th":1.92384,"CLint.1uM.High95th":7.16093,"CLint.10uM.Median":2.97546,"CLint.10uM.Low95th":0.85454,"CLint.10uM.High95th":5.0286,"CLint.1uM.Point":5.91867,"CLint.10uM.Point":3.4799,"Fit":"Decreasing","SMILES":"CC(=O)OC1(CCC2C3C=C(Cl)C4=CC(=O)C5CC5C4(C)C3CCC12C)C(C)=O"}
{"DTXSID":"DTXSID5020449","Name":"Dichlorvos","CAS":"62-73-7","CompoundName":"1444995","Fup.point":0.92727,"Base.Fup.Med":0.60265,"Base.Fup.Low":0.42733,"Base.Fup.High":0.92512,"Affinity.Fup.Med":4.13111e-08,"Affinity.Fup.Low":1.66443e-13,"Affinity.Fup.High":0.009,"Affinity.Kd.Med":0.00004,"Affinity.Kd.Low":1.75203e-10,"Affinity.Kd.High":9.55525,"Decreases.Prob":1,"Saturates.Prob":0.78614,"Slope.1uM.Median":0.04319,"Slope.10uM.Median":0.01398,"CLint.1uM.Median":86.3776,"CLint.1uM.Low95th":12.22996,"CLint.1uM.High95th":1179.8386,"CLint.10uM.Median":27.97,"CLint.10uM.Low95th":4.46318,"CLint.10uM.High95th":42.38424,"CLint.10uM.Point":49.70508,"Fit":"Decreasing","SMILES":"COP(=O)(OC)OC=C(Cl)Cl"}
{"DTXSID":"DTXSID5020576","Name":"17alpha-Ethinylestradiol","CAS":"57-63-6","CompoundName":"1444929","Decreases.Prob":0.07006,"Saturates.Prob":0.49658,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":7.51917,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":6.32963,"CLint.1uM.Point":7.80904,"CLint.10uM.Point":23.38314,"Fit":"Bayesian Zero","SMILES":"CC12CCC3C(CCC4=C3C=CC(O)=C4)C1CCC2(O)C#C"}
{"DTXSID":"DTXSID5020944","Name":"Nitrofurazone","CAS":"59-87-0","CompoundName":"EV0000668","Fup.point":0.98427,"Base.Fup.Med":0.71142,"Base.Fup.Low":0.40464,"Base.Fup.High":0.97858,"Affinity.Fup.Med":0.86403,"Affinity.Fup.Low":0.46533,"Affinity.Fup.High":0.98731,"Affinity.Kd.Med":6689.045,"Affinity.Kd.Low":916.11047,"Affinity.Kd.High":81868.695,"Decreases.Prob":0.00928,"Saturates.Prob":0.4998,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":0,"CLint.10uM.Point":0,"Fit":"Point Est. Zero","SMILES":"NC(=O)N=NCC1=CC=C(O1)[N+]([O-])=O"}
{"DTXSID":"DTXSID5021126","Name":"Phenothiazine","CAS":"92-84-2","CompoundName":"EV0001326","Fup.point":-0.0018,"Base.Fup.Med":3.14956e-06,"Base.Fup.Low":1.72187e-10,"Base.Fup.High":0.04276,"Affinity.Fup.Med":0.00409,"Affinity.Fup.Low":0.00185,"Affinity.Fup.High":0.01442,"Affinity.Kd.Med":4.32364,"Affinity.Kd.Low":1.94858,"Affinity.Kd.High":15.40172,"Decreases.Prob":0.00228,"Saturates.Prob":0.49566,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":0,"CLint.10uM.Point":0,"Fit":"Point Est. Zero","SMILES":"N1C2=CC=CC=C2SC2=C1C=CC=C2"}
{"DTXSID":"DTXSID5021201","Name":"Propyl gallate","CAS":"121-79-9","CompoundName":"BF00175511","Fup.point":0.00294,"Base.Fup.Med":0.02532,"Base.Fup.Low":0.00643,"Base.Fup.High":0.11517,"Affinity.Fup.Med":0.0252,"Affinity.Fup.Low":0.0128,"Affinity.Fup.High":0.05715,"Affinity.Kd.Med":27.21555,"Affinity.Kd.Low":13.65311,"Affinity.Kd.High":63.80465,"Decreases.Prob":1,"Saturates.Prob":0.91272,"Slope.1uM.Median":0.02487,"Slope.10uM.Median":0.01861,"CLint.1uM.Median":49.7474,"CLint.1uM.Low95th":39.21066,"CLint.1uM.High95th":55.0488,"CLint.10uM.Median":37.2141,"CLint.10uM.Low95th":26.69976,"CLint.10uM.High95th":43.651,"CLint.1uM.Point":52.19444,"CLint.10uM.Point":41.18507,"Fit":"Decreasing","SMILES":"CCCOC(=O)C1=CC(O)=C(O)C(O)=C1"}
{"DTXSID":"DTXSID5021332","Name":"Thiram","CAS":"137-26-8","CompoundName":"TX000046","Affinity.Fup.Med":5.11986e-08,"Affinity.Fup.Low":1.92733e-13,"Affinity.Fup.High":0.00548,"Affinity.Kd.Med":0.00005,"Affinity.Kd.Low":2.02876e-10,"Affinity.Kd.High":5.79889,"Decreases.Prob":1,"Saturates.Prob":0.39724,"Slope.1uM.Median":0.40819,"Slope.10uM.Median":0.32098,"CLint.1uM.Median":816.374,"CLint.1uM.Low95th":176.90041,"CLint.1uM.High95th":1308.8962,"CLint.10uM.Median":641.954,"CLint.10uM.Low95th":110.46261,"CLint.10uM.High95th":1289.06675,"CLint.1uM.Point":0,"CLint.10uM.Point":26.55769,"Fit":"Point Est. Zero","SMILES":"CN(C)C(=S)SSC(=S)N(C)C"}
{"DTXSID":"DTXSID5021388","Name":"2,4,5-Trichlorophenoxyacetic acid","CAS":"93-76-5","CompoundName":"BF00175322","Fup.point":0.00486,"Base.Fup.Med":7.21888e-06,"Base.Fup.Low":1.50241e-10,"Base.Fup.High":0.08335,"Affinity.Fup.Med":0.01218,"Affinity.Fup.Low":0.00781,"Affinity.Fup.High":0.02325,"Affinity.Kd.Med":12.9828,"Affinity.Kd.Low":8.28753,"Affinity.Kd.High":25.05444,"Decreases.Prob":0.00166,"Saturates.Prob":0.5025,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":0,"CLint.10uM.Point":0,"Fit":"Point Est. Zero","SMILES":"OC(=O)COC1=C(Cl)C=C(Cl)C(Cl)=C1"}
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{"DTXSID":"DTXSID5021413","Name":"Tris(2,3-dibromopropyl) phosphate","CAS":"126-72-7","CompoundName":"EV0001408","Fup.point":0,"Base.Fup.Med":2.07886e-06,"Base.Fup.Low":1.77085e-10,"Base.Fup.High":0.07073,"Affinity.Fup.Med":0.00675,"Affinity.Fup.Low":0.00317,"Affinity.Fup.High":0.02349,"Affinity.Kd.Med":7.15755,"Affinity.Kd.Low":3.3526,"Affinity.Kd.High":25.3266,"Decreases.Prob":1,"Saturates.Prob":0.81894,"Slope.1uM.Median":0.08848,"Slope.10uM.Median":0.02116,"CLint.1uM.Median":176.9672,"CLint.1uM.Low95th":35.9494,"CLint.1uM.High95th":1235.2867,"CLint.10uM.Median":42.3111,"CLint.10uM.Low95th":31.14317,"CLint.10uM.High95th":58.18465,"CLint.1uM.Point":92.41962,"CLint.10uM.Point":30.23468,"Fit":"Decreasing","SMILES":"BrCC(Br)COP(=O)(OCC(Br)CBr)OCC(Br)CBr"}
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{"DTXSID":"DTXSID5022439","Name":"Phenolphthalin","CAS":"81-90-3","CompoundName":"BF00174550","Fup.point":0.00546,"Base.Fup.Med":0.01056,"Base.Fup.Low":0.00761,"Base.Fup.High":0.0181,"Affinity.Fup.Med":0.00936,"Affinity.Fup.Low":0.00762,"Affinity.Fup.High":0.01321,"Affinity.Kd.Med":9.94909,"Affinity.Kd.Low":8.08169,"Affinity.Kd.High":14.09503,"Decreases.Prob":0.99238,"Saturates.Prob":0.2222,"Slope.1uM.Median":0.00092,"Slope.10uM.Median":0.00088,"CLint.1uM.Median":1.84651,"CLint.1uM.Low95th":0.76788,"CLint.1uM.High95th":2.89958,"CLint.10uM.Median":1.75979,"CLint.10uM.Low95th":0.65633,"CLint.10uM.High95th":2.8112,"CLint.1uM.Point":0,"CLint.10uM.Point":2.87069,"Fit":"Point Est. Zero","SMILES":"OC(=O)C1=C(C=CC=C1)C(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1"}
{"DTXSID":"DTXSID5022489","Name":"E-Cinnamic acid","CAS":"140-10-3","CompoundName":"EV0001895","Fup.point":0.04657,"Base.Fup.Med":0.07666,"Base.Fup.Low":0.04869,"Base.Fup.High":0.15621,"Affinity.Fup.Med":0.04989,"Affinity.Fup.Low":0.04295,"Affinity.Fup.High":0.05915,"Affinity.Kd.Med":55.27885,"Affinity.Kd.Low":47.23636,"Affinity.Kd.High":66.17455,"SMILES":"OC(=O)C=CC1=CC=CC=C1"}
{"DTXSID":"DTXSID5023320","Name":"Midazolam","CAS":"59467-70-8","CompoundName":"Midazolam","Decreases.Prob":1,"Saturates.Prob":0.3698,"Slope.1uM.Median":0.00606,"Slope.10uM.Median":0.00551,"CLint.1uM.Median":12.12447,"CLint.1uM.Low95th":7.5934,"CLint.1uM.High95th":15.72987,"CLint.10uM.Median":11.01544,"CLint.10uM.Low95th":3.44678,"CLint.10uM.High95th":15.19335,"CLint.1uM.Point":35.41589,"CLint.10uM.Point":0,"Fit":"Decreasing","SMILES":"CC1=NC=C2CN=C(C3=CC=CC=C3F)C3=CC(Cl)=CC=C3N12"}
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{"DTXSID":"DTXSID5023742","Name":"Warfarin","CAS":"81-81-2","CompoundName":"Warfarin","Fup.point":0.00944,"Base.Fup.Med":0.02452,"Base.Fup.Low":0.01172,"Base.Fup.High":0.10684,"Affinity.Fup.Med":0.01828,"Affinity.Fup.Low":0.01378,"Affinity.Fup.High":0.0271,"Affinity.Kd.Med":19.59865,"Affinity.Kd.Low":14.7132,"Affinity.Kd.High":29.3168,"Decreases.Prob":0.00156,"Saturates.Prob":0.50024,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":0,"CLint.10uM.Point":0,"Fit":"Point Est. Zero","SMILES":"CC(=O)CC(C1C(=O)Oc2ccccc2C1=O)c1ccccc1"}
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{"DTXSID":"DTXSID5029055","Name":"4-Nonylphenol, branched","CAS":"84852-15-3","CompoundName":"TX009712","Fup.point":0.01664,"Base.Fup.Med":4.38028e-06,"Base.Fup.Low":1.63146e-10,"Base.Fup.High":0.10052,"Affinity.Fup.Med":1.25578e-07,"Affinity.Fup.Low":1.81113e-13,"Affinity.Fup.High":0.08174,"Affinity.Kd.Med":0.00013,"Affinity.Kd.Low":1.90645e-10,"Affinity.Kd.High":93.70127,"SMILES":"CCCCCCCCCC1=CC=C(C=C1)O"}
{"DTXSID":"DTXSID5031131","Name":"Dipentyl phthalate","CAS":"131-18-0","CompoundName":"EV0001933","Fup.point":0.03196,"Base.Fup.Med":0.17473,"Base.Fup.Low":0.03028,"Base.Fup.High":0.36785,"Affinity.Fup.Med":0.09824,"Affinity.Fup.Low":0.02712,"Affinity.Fup.High":0.21023,"Affinity.Kd.Med":114.6785,"Affinity.Kd.Low":29.34325,"Affinity.Kd.High":280.20647,"Decreases.Prob":1,"Saturates.Prob":0.79728,"Slope.1uM.Median":0.15042,"Slope.10uM.Median":0.05925,"CLint.1uM.Median":300.835,"CLint.1uM.Low95th":108.722,"CLint.1uM.High95th":1238.43265,"CLint.10uM.Median":118.5098,"CLint.10uM.Low95th":99.73637,"CLint.10uM.High95th":134.76328,"CLint.1uM.Point":26.1835,"CLint.10uM.Point":81.72482,"Fit":"Decreasing","SMILES":"CCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCC"}
{"DTXSID":"DTXSID5031133","Name":"Dipropyl phthalate","CAS":"131-16-8","CompoundName":"EV0002349","Decreases.Prob":1,"Saturates.Prob":0.39226,"Slope.1uM.Median":0.42916,"Slope.10uM.Median":0.34898,"CLint.1uM.Median":858.311,"CLint.1uM.Low95th":253.93745,"CLint.1uM.High95th":1309.83605,"CLint.10uM.Median":697.959,"CLint.10uM.Low95th":147.0583,"CLint.10uM.High95th":1290.74305,"CLint.1uM.Point":52.18145,"CLint.10uM.Point":69.32985,"Fit":"Decreasing","SMILES":"CCCOC(=O)C1=C(C=CC=C1)C(=O)OCCC"}
{"DTXSID":"DTXSID5032498","Name":"Triclosan","CAS":"3380-34-5","CompoundName":"1444855","Fup.point":0.00055,"Base.Fup.Med":2.7311e-06,"Base.Fup.Low":1.59473e-10,"Base.Fup.High":0.06836,"Affinity.Fup.Med":0.00165,"Affinity.Fup.Low":3.83307e-12,"Affinity.Fup.High":0.01288,"Affinity.Kd.Med":1.74057,"Affinity.Kd.Low":4.03481e-09,"Affinity.Kd.High":13.73379,"Decreases.Prob":1,"Saturates.Prob":0.36936,"Slope.1uM.Median":0.0139,"Slope.10uM.Median":0.01248,"CLint.1uM.Median":27.7975,"CLint.1uM.Low95th":14.4379,"CLint.1uM.High95th":38.4695,"CLint.10uM.Median":24.9699,"CLint.10uM.Low95th":7.2293,"CLint.10uM.High95th":36.0542,"CLint.1uM.Point":32.11615,"CLint.10uM.Point":33.549,"Fit":"Decreasing","SMILES":"OC1=C(OC2=CC=C(Cl)C=C2Cl)C=CC(Cl)=C1"}
{"DTXSID":"DTXSID5032579","Name":"Triclopyr butotyl","CAS":"64700-56-7","CompoundName":"EV0002356","Decreases.Prob":1,"Saturates.Prob":0.38212,"Slope.1uM.Median":0.42912,"Slope.10uM.Median":0.3494,"CLint.1uM.Median":858.249,"CLint.1uM.Low95th":231.46585,"CLint.1uM.High95th":1309.6152,"CLint.10uM.Median":698.807,"CLint.10uM.Low95th":151.08868,"CLint.10uM.High95th":1293.14255,"CLint.10uM.Point":85.89338,"Fit":"Decreasing","SMILES":"CCCCOCCOC(=O)COC1=C(Cl)C=C(Cl)C(Cl)=N1"}
{"DTXSID":"DTXSID5035957","Name":"Cyfluthrin","CAS":"68359-37-5","CompoundName":"TX000191","Affinity.Fup.Med":1.88575e-08,"Affinity.Fup.Low":1.96444e-13,"Affinity.Fup.High":0.00414,"Affinity.Kd.Med":0.00002,"Affinity.Kd.Low":2.06783e-10,"Affinity.Kd.High":4.37999,"Decreases.Prob":1,"Saturates.Prob":0.6848,"Slope.1uM.Median":0.0119,"Slope.10uM.Median":0.00606,"CLint.1uM.Median":23.8097,"CLint.1uM.Low95th":9.17563,"CLint.1uM.High95th":935.41865,"CLint.10uM.Median":12.11514,"CLint.10uM.Low95th":7.0346,"CLint.10uM.High95th":14.58765,"CLint.1uM.Point":19.72997,"CLint.10uM.Point":13.14885,"Fit":"Decreasing","SMILES":"CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)C1=CC=C(F)C(OC2=CC=CC=C2)=C1"}
{"DTXSID":"DTXSID5037494","Name":"Deethylatrazine","CAS":"6190-65-4","CompoundName":"EV0002338","Fup.point":0.55522,"Base.Fup.Med":0.50627,"Base.Fup.Low":0.41975,"Base.Fup.High":0.64475,"Affinity.Fup.Med":0.48359,"Affinity.Fup.Low":0.43966,"Affinity.Fup.High":0.55313,"Affinity.Kd.Med":985.7425,"Affinity.Kd.Low":825.9144,"Affinity.Kd.High":1302.93275,"Decreases.Prob":0.38848,"Saturates.Prob":0.50478,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":1247.0023,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":1167.7967,"CLint.1uM.Point":0,"CLint.10uM.Point":0,"Fit":"Point Est. Zero","SMILES":"CC(C)NC1=NC(Cl)=NC(N)=N1"}
{"DTXSID":"DTXSID5037731","Name":"4,4'-(9H-Fluorene-9,9-diyl)diphenol","CAS":"3236-71-3","CompoundName":"BF00174572","Fup.point":0.00077,"Base.Fup.Med":1.70049e-06,"Base.Fup.Low":1.73336e-10,"Base.Fup.High":0.02329,"Affinity.Fup.Med":1.25546e-08,"Affinity.Fup.Low":1.88751e-13,"Affinity.Fup.High":0.00146,"Affinity.Kd.Med":0.00001,"Affinity.Kd.Low":1.98685e-10,"Affinity.Kd.High":1.53742,"Decreases.Prob":1,"Saturates.Prob":0.06842,"Slope.1uM.Median":0.01122,"Slope.10uM.Median":0.01118,"CLint.1uM.Median":22.4456,"CLint.1uM.Low95th":18.75303,"CLint.1uM.High95th":26.57281,"CLint.10uM.Median":22.3632,"CLint.10uM.Low95th":18.45146,"CLint.10uM.High95th":26.48,"CLint.1uM.Point":20.2117,"CLint.10uM.Point":32.66724,"Fit":"Decreasing","SMILES":"OC1=CC=C(C=C1)C1(C2=C(C=CC=C2)C2=C1C=CC=C2)C1=CC=C(O)C=C1"}
{"DTXSID":"DTXSID5037739","Name":"4-Anilinophenol","CAS":"122-37-2","CompoundName":"EV0001449","Fup.point":0.03138,"Base.Fup.Med":0.05582,"Base.Fup.Low":0.0343,"Base.Fup.High":0.12184,"Affinity.Fup.Med":0.05897,"Affinity.Fup.Low":0.03741,"Affinity.Fup.High":0.10333,"Affinity.Kd.Med":65.967,"Affinity.Kd.Low":40.91415,"Affinity.Kd.High":121.29665,"Decreases.Prob":1,"Saturates.Prob":0.99818,"Slope.1uM.Median":0.03755,"Slope.10uM.Median":0.01772,"CLint.1uM.Median":75.1006,"CLint.1uM.Low95th":55.01936,"CLint.1uM.High95th":95.87538,"CLint.10uM.Median":35.4371,"CLint.10uM.Low95th":24.78938,"CLint.10uM.High95th":41.19964,"CLint.1uM.Point":53.4428,"CLint.10uM.Point":40.35966,"Fit":"Decreasing","SMILES":"OC1=CC=C(NC2=CC=CC=C2)C=C1"}
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{"DTXSID":"DTXSID5040706","Name":"C.I. Solvent Orange 7","CAS":"3118-97-6","CompoundName":"BF00175269","Fup.point":0.00033,"Base.Fup.Med":2.29848e-06,"Base.Fup.Low":1.59891e-10,"Base.Fup.High":0.04925,"Affinity.Fup.Med":2.6363e-08,"Affinity.Fup.Low":2.10571e-13,"Affinity.Fup.High":0.0061,"Affinity.Kd.Med":0.00003,"Affinity.Kd.Low":2.21655e-10,"Affinity.Kd.High":6.46424,"Decreases.Prob":0.00092,"Saturates.Prob":0.4983,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":0,"CLint.10uM.Point":0,"Fit":"Point Est. Zero","SMILES":"CC1=CC=C(N=NC2=C(O)C=CC3=CC=CC=C23)C(C)=C1"}
{"DTXSID":"DTXSID5040708","Name":"4-Hexylanilline","CAS":"33228-45-4","CompoundName":"EV0001380","Fup.point":0.00025,"Base.Fup.Med":5.28624e-06,"Base.Fup.Low":1.59303e-10,"Base.Fup.High":0.07378,"Affinity.Fup.Med":0.00705,"Affinity.Fup.Low":0.00333,"Affinity.Fup.High":0.02113,"Affinity.Kd.Med":7.47833,"Affinity.Kd.Low":3.5151,"Affinity.Kd.High":22.71892,"Decreases.Prob":1,"Saturates.Prob":0.64804,"Slope.1uM.Median":0.22004,"Slope.10uM.Median":0.01155,"CLint.1uM.Median":440.081,"CLint.1uM.Low95th":17.98109,"CLint.1uM.High95th":1282.50845,"CLint.10uM.Median":23.0912,"CLint.10uM.Low95th":11.34674,"CLint.10uM.High95th":1217.2248,"CLint.1uM.Point":0,"CLint.10uM.Point":0,"Fit":"Point Est. Zero","SMILES":"CCCCCCC1=CC=C(N)C=C1"}
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{"DTXSID":"DTXSID5041516","Name":"2-Ethyl-3-hydroxy-4H-pyran-4-one","CAS":"4940-11-8","CompoundName":"EV0001359","Fup.point":0.66667,"Base.Fup.Med":0.59416,"Base.Fup.Low":0.50401,"Base.Fup.High":0.69056,"Affinity.Fup.Med":0.62501,"Affinity.Fup.Low":0.34723,"Affinity.Fup.High":0.98294,"Affinity.Kd.Med":1754.45,"Affinity.Kd.Low":559.919,"Affinity.Kd.High":60646.935,"Decreases.Prob":1,"Saturates.Prob":1,"Slope.1uM.Median":0.04048,"Slope.10uM.Median":0.01775,"CLint.1uM.Median":80.9532,"CLint.1uM.Low95th":66.09539,"CLint.1uM.High95th":104.77889,"CLint.10uM.Median":35.5006,"CLint.10uM.Low95th":27.61895,"CLint.10uM.High95th":41.26503,"CLint.1uM.Point":66.80695,"CLint.10uM.Point":41.85334,"Fit":"Decreasing","SMILES":"CCC1OC=CC(=O)C1=O"}
{"DTXSID":"DTXSID5042243","Name":"Oleyl sarcosine","CAS":"110-25-8","CompoundName":"EV0001402","Fup.point":-0.00066,"Base.Fup.Med":3.05026e-06,"Base.Fup.Low":1.73403e-10,"Base.Fup.High":0.07381,"Affinity.Fup.Med":3.27246e-08,"Affinity.Fup.Low":1.92998e-13,"Affinity.Fup.High":0.00565,"Affinity.Kd.Med":0.00003,"Affinity.Kd.Low":2.03155e-10,"Affinity.Kd.High":5.98084,"Decreases.Prob":1,"Saturates.Prob":0.9079,"Slope.1uM.Median":0.02084,"Slope.10uM.Median":0.01447,"CLint.1uM.Median":41.6768,"CLint.1uM.Low95th":30.10635,"CLint.1uM.High95th":61.92746,"CLint.10uM.Median":28.9376,"CLint.10uM.Low95th":19.30733,"CLint.10uM.High95th":34.13961,"CLint.1uM.Point":37.60761,"CLint.10uM.Point":31.69187,"Fit":"Decreasing","SMILES":"CCCCCCCCC=CCCCCCCCC(=O)N(C)CC(O)=O"}
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{"DTXSID":"DTXSID5047320","Name":"SB236057A","CAS":"180084-01-9","CompoundName":"TX006369","Fup.point":0.00193,"Base.Fup.Med":0.02974,"Base.Fup.Low":0.01403,"Base.Fup.High":0.07965,"Affinity.Fup.Med":0.01498,"Affinity.Fup.Low":0.00983,"Affinity.Fup.High":0.02634,"Affinity.Kd.Med":16.0051,"Affinity.Kd.Low":10.4527,"Affinity.Kd.High":28.47482,"Decreases.Prob":1,"Saturates.Prob":0.82868,"Slope.1uM.Median":0.00232,"Slope.10uM.Median":0.00085,"CLint.1uM.Median":4.64922,"CLint.1uM.Low95th":1.07572,"CLint.1uM.High95th":8.00583,"CLint.10uM.Median":1.69751,"CLint.10uM.Low95th":0.34592,"CLint.10uM.High95th":3.33715,"CLint.1uM.Point":7.44051,"CLint.10uM.Point":2.02327,"Fit":"Decreasing","SMILES":"CCN1CCC2(COC3=C2C=C2N(CCC2=C3)C(=O)C2=CC=C(C=C2)C2=CC=C(C=C2C)C2=NN=C(C)O2)CC1"}
{"DTXSID":"DTXSID5048180","Name":"4-Propylanilline","CAS":"2696-84-6","CompoundName":"EV0001406","Fup.point":0.14599,"Base.Fup.Med":0.1914,"Base.Fup.Low":0.14758,"Base.Fup.High":0.27352,"Affinity.Fup.Med":0.137,"Affinity.Fup.Low":0.08934,"Affinity.Fup.High":0.21844,"Affinity.Kd.Med":167.102,"Affinity.Kd.Low":103.27318,"Affinity.Kd.High":294.20162,"Decreases.Prob":1,"Saturates.Prob":0.65726,"Slope.1uM.Median":0.00865,"Slope.10uM.Median":0.00562,"CLint.1uM.Median":17.30123,"CLint.1uM.Low95th":6.91683,"CLint.1uM.High95th":28.91287,"CLint.10uM.Median":11.24516,"CLint.10uM.Low95th":2.90532,"CLint.10uM.High95th":19.67212,"CLint.1uM.Point":0,"CLint.10uM.Point":0,"Fit":"Point Est. Zero","SMILES":"CCCC1=CC=C(N)C=C1"}
{"DTXSID":"DTXSID5048184","Name":"Melengestrol acetate","CAS":"2919-66-6","CompoundName":"EV0001917","Fup.point":0.01758,"Base.Fup.Med":0.03707,"Base.Fup.Low":0.02016,"Base.Fup.High":0.09783,"Affinity.Fup.Med":0.02296,"Affinity.Fup.Low":0.0192,"Affinity.Fup.High":0.03031,"Affinity.Kd.Med":24.73445,"Affinity.Kd.Low":20.60204,"Affinity.Kd.High":32.90625,"Decreases.Prob":1,"Saturates.Prob":0.99996,"Slope.1uM.Median":0.02072,"Slope.10uM.Median":0.00408,"CLint.1uM.Median":41.4455,"CLint.1uM.Low95th":30.38516,"CLint.1uM.High95th":47.8132,"CLint.10uM.Median":8.15813,"CLint.10uM.Low95th":2.65945,"CLint.10uM.High95th":13.15994,"CLint.1uM.Point":47.81742,"CLint.10uM.Point":10.20236,"Fit":"Decreasing","SMILES":"CC(=O)OC1(C(C)=O)C(=C)CC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC12C"}
{"DTXSID":"DTXSID5051650","Name":"4,4'-(Isopropylidenebis(4,1-phenyleneoxy))dianiline","CAS":"13080-86-9","CompoundName":"BF00174489","Fup.point":-0.00002,"Base.Fup.Med":1.19296e-06,"Base.Fup.Low":1.53922e-10,"Base.Fup.High":0.02864,"Affinity.Fup.Med":2.8229e-08,"Affinity.Fup.Low":2.12048e-13,"Affinity.Fup.High":0.00326,"Affinity.Kd.Med":0.00003,"Affinity.Kd.Low":2.23208e-10,"Affinity.Kd.High":3.44003,"Decreases.Prob":0.00036,"Saturates.Prob":0.4975,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":0,"CLint.10uM.Point":-5.48061,"Fit":"Point Est. Zero","SMILES":"CC(C)(C1=CC=C(OC2=CC=C(N)C=C2)C=C1)C1=CC=C(OC2=CC=C(N)C=C2)C=C1"}
{"DTXSID":"DTXSID5052626","Name":"Umbelliferone","CAS":"93-35-6","CompoundName":"7-OH-Coumarin","Decreases.Prob":1,"Saturates.Prob":0.30932,"Slope.1uM.Median":0.02476,"Slope.10uM.Median":0.02415,"CLint.1uM.Median":49.5204,"CLint.1uM.Low95th":44.1966,"CLint.1uM.High95th":53.90821,"CLint.10uM.Median":48.3092,"CLint.10uM.Low95th":15.27169,"CLint.10uM.High95th":53.54745,"CLint.1uM.Point":58.52369,"CLint.10uM.Point":87.932,"Fit":"Decreasing","SMILES":"OC1=CC=C2C=CC(=O)OC2=C1"}
{"DTXSID":"DTXSID6020068","Name":"2-Aminoanthraquinone","CAS":"117-79-3","CompoundName":"EV0001947","Fup.point":0.02168,"Base.Fup.Med":0.0403,"Base.Fup.Low":0.02438,"Base.Fup.High":0.0885,"Affinity.Fup.Med":0.02964,"Affinity.Fup.Low":0.02462,"Affinity.Fup.High":0.04171,"Affinity.Kd.Med":32.1476,"Affinity.Kd.Low":26.56839,"Affinity.Kd.High":45.81267,"Decreases.Prob":1,"Saturates.Prob":0.99568,"Slope.1uM.Median":0.01541,"Slope.10uM.Median":0.0061,"CLint.1uM.Median":30.8217,"CLint.1uM.Low95th":21.8772,"CLint.1uM.High95th":35.03302,"CLint.10uM.Median":12.195,"CLint.10uM.Low95th":4.52245,"CLint.10uM.High95th":16.42009,"CLint.1uM.Point":34.3133,"CLint.10uM.Point":15.33758,"Fit":"Decreasing","SMILES":"NC1=CC=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C1"}
{"DTXSID":"DTXSID6020147","Name":"1,2,3-Benzotriazole","CAS":"95-14-7","CompoundName":"EV0001850","Fup.point":0.30094,"Base.Fup.Med":0.31012,"Base.Fup.Low":6.31363e-10,"Base.Fup.High":0.40479,"Affinity.Fup.Med":0.28909,"Affinity.Fup.Low":0.18765,"Affinity.Fup.High":0.43401,"Affinity.Kd.Med":428.0465,"Affinity.Kd.Low":243.15755,"Affinity.Kd.High":807.1779,"Decreases.Prob":0.00014,"Saturates.Prob":0.498,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":0,"CLint.10uM.Point":0,"Fit":"Point Est. Zero","SMILES":"N1N=NC2=C1C=CC=C2"}
{"DTXSID":"DTXSID6020197","Name":"Bromocriptine mesylate","CAS":"22260-51-1","CompoundName":"EV0001980","Fup.point":0.00334,"Base.Fup.Med":0.07471,"Base.Fup.Low":0.05671,"Base.Fup.High":0.09111,"Affinity.Fup.Med":0.00899,"Affinity.Fup.Low":0.00574,"Affinity.Fup.High":0.01909,"Affinity.Kd.Med":9.54537,"Affinity.Kd.Low":6.07326,"Affinity.Kd.High":20.48631,"Decreases.Prob":1,"Saturates.Prob":1,"Slope.1uM.Median":0.08876,"Slope.10uM.Median":0.02201,"CLint.1uM.Median":177.5193,"CLint.1uM.Low95th":123.30718,"CLint.1uM.High95th":219.37805,"CLint.10uM.Median":44.0253,"CLint.10uM.Low95th":37.88439,"CLint.10uM.High95th":48.19244,"CLint.1uM.Point":75.00431,"CLint.10uM.Point":46.21138,"Fit":"Decreasing","SMILES":"CC(C)CC1N2C(=O)C(NC(=O)C3CN(C)C4CC5=C(Br)NC6=CC=CC(=C56)C4=C3)(OC2(O)C2CCCN2C1=O)C(C)C"}
{"DTXSID":"DTXSID6020480","Name":"Dimethoxane","CAS":"828-00-2","CompoundName":"EV0001985","Decreases.Prob":1,"Saturates.Prob":0.39134,"Slope.1uM.Median":0.4313,"Slope.10uM.Median":0.34893,"CLint.1uM.Median":862.599,"CLint.1uM.Low95th":256.77965,"CLint.1uM.High95th":1310.75645,"CLint.10uM.Median":697.864,"CLint.10uM.Low95th":143.74916,"CLint.10uM.High95th":1294.15425,"Fit":"Decreasing","SMILES":"CC1CC(OC(C)=O)OC(C)O1"}
{"DTXSID":"DTXSID6020511","Name":"3,3'-Dimethylbenzidine dihydrochloride","CAS":"612-82-8","CompoundName":"EV0001413","Fup.point":0.11365,"Base.Fup.Med":0.14236,"Base.Fup.Low":0.11245,"Base.Fup.High":0.20231,"Affinity.Fup.Med":0.11506,"Affinity.Fup.Low":0.08041,"Affinity.Fup.High":0.16003,"Affinity.Kd.Med":136.862,"Affinity.Kd.Low":92.04278,"Affinity.Kd.High":200.54032,"Decreases.Prob":1,"Saturates.Prob":1,"Slope.1uM.Median":0.0127,"Slope.10uM.Median":0.00384,"CLint.1uM.Median":25.4092,"CLint.1uM.Low95th":20.15532,"CLint.1uM.High95th":28.45001,"CLint.10uM.Median":7.67433,"CLint.10uM.Low95th":3.14652,"CLint.10uM.High95th":10.62844,"CLint.1uM.Point":26.71712,"CLint.10uM.Point":9.1724,"Fit":"Decreasing","SMILES":"CC1=CC(=CC=C1N)C1=CC=C(N)C(C)=C1"}
{"DTXSID":"DTXSID6020690","Name":"Hexachlorophene","CAS":"70-30-4","CompoundName":"BF00174583","Fup.point":0.00002,"Base.Fup.Med":1.28167e-06,"Base.Fup.Low":1.81124e-10,"Base.Fup.High":0.0182,"Affinity.Fup.Med":1.00091e-08,"Affinity.Fup.Low":1.67756e-13,"Affinity.Fup.High":0.00066,"Affinity.Kd.Med":0.00001,"Affinity.Kd.Low":1.76585e-10,"Affinity.Kd.High":0.69749,"Decreases.Prob":0.0012,"Saturates.Prob":0.50016,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":0,"CLint.10uM.Point":0,"Fit":"Point Est. Zero","SMILES":"OC1=C(CC2=C(Cl)C(Cl)=CC(Cl)=C2O)C(Cl)=C(Cl)C=C1Cl"}
{"DTXSID":"DTXSID6020692","Name":"Methenamine","CAS":"100-97-0","CompoundName":"EV0001942","Fup.point":0.45422,"Base.Fup.Med":0.46619,"Base.Fup.Low":0.35048,"Base.Fup.High":0.62524,"Affinity.Fup.Med":0.35331,"Affinity.Fup.Low":0.1404,"Affinity.Fup.High":0.88928,"Affinity.Kd.Med":575.0875,"Affinity.Kd.Low":171.92125,"Affinity.Kd.High":8457.08175,"Decreases.Prob":0.0009,"Saturates.Prob":0.50426,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":0,"CLint.10uM.Point":0,"Fit":"Point Est. Zero","SMILES":"C1N2CN3CN1CN(C2)C3"}
{"DTXSID":"DTXSID6020856","Name":"N-Methyl-2-pyrrolidone","CAS":"872-50-4","CompoundName":"EV0001911","Fup.point":1.10888,"Base.Fup.Med":0.84847,"Base.Fup.Low":0.54132,"Base.Fup.High":0.99045,"Affinity.Fup.Med":0.88917,"Affinity.Fup.Low":0.5348,"Affinity.Fup.High":0.98814,"Affinity.Kd.Med":8445.385,"Affinity.Kd.Low":1210.113,"Affinity.Kd.High":87709.74,"SMILES":"CN1CCCC1=O"}
{"DTXSID":"DTXSID6021290","Name":"Sulfamethazine","CAS":"57-68-1","CompoundName":"EV0001446","Fup.point":0.16886,"Base.Fup.Med":0.18756,"Base.Fup.Low":0.16895,"Base.Fup.High":0.21995,"Affinity.Fup.Med":0.1753,"Affinity.Fup.Low":0.16348,"Affinity.Fup.High":0.19253,"Affinity.Kd.Med":223.7495,"Affinity.Kd.Low":205.7189,"Affinity.Kd.High":250.9843,"Decreases.Prob":0.0001,"Saturates.Prob":0.49936,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":-2.98009,"CLint.10uM.Point":0,"Fit":"Bayesian Zero","SMILES":"CC1=CC(C)=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=N1"}
{"DTXSID":"DTXSID6021373","Name":"Triamterene","CAS":"396-01-0","CompoundName":"EV0002363","Fup.point":0.34159,"Base.Fup.Med":0.368,"Base.Fup.Low":0.25146,"Base.Fup.High":0.53779,"Affinity.Fup.Med":0.32966,"Affinity.Fup.Low":0.24885,"Affinity.Fup.High":0.41215,"Affinity.Kd.Med":517.6735,"Affinity.Kd.Low":348.72852,"Affinity.Kd.High":738.00665,"Decreases.Prob":0.00154,"Saturates.Prob":0.50258,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":0,"CLint.10uM.Point":0,"Fit":"Point Est. Zero","SMILES":"NC1=NC(N)=C2N=C(C(N)=NC2=N1)C1=CC=CC=C1"}
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{"DTXSID":"DTXSID6021793","Name":"1-Naphthol","CAS":"90-15-3","CompoundName":"EV0001352","Fup.point":0.03759,"Base.Fup.Med":0.06708,"Base.Fup.Low":0.04033,"Base.Fup.High":0.15102,"Affinity.Fup.Med":0.06813,"Affinity.Fup.Low":0.05091,"Affinity.Fup.High":0.09071,"Affinity.Kd.Med":76.9605,"Affinity.Kd.Low":56.46914,"Affinity.Kd.High":105.00492,"Decreases.Prob":0.07558,"Saturates.Prob":0.49112,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":3.13932,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":2.69505,"CLint.1uM.Point":0,"CLint.10uM.Point":3.80175,"Fit":"Point Est. Zero","SMILES":"OC1=CC=CC2=CC=CC=C12"}
{"DTXSID":"DTXSID6021824","Name":"Dichlorophen","CAS":"97-23-4","CompoundName":"BF00174491","Fup.point":0.00156,"Base.Fup.Med":5.03154e-06,"Base.Fup.Low":1.7513e-10,"Base.Fup.High":0.02261,"Affinity.Fup.Med":0.00463,"Affinity.Fup.Low":0.00361,"Affinity.Fup.High":0.00991,"Affinity.Kd.Med":4.89663,"Affinity.Kd.Low":3.81213,"Affinity.Kd.High":10.53081,"Decreases.Prob":1,"Saturates.Prob":0.2671,"Slope.1uM.Median":0.00659,"Slope.10uM.Median":0.00597,"CLint.1uM.Median":13.17114,"CLint.1uM.Low95th":4.2306,"CLint.1uM.High95th":54.35063,"CLint.10uM.Median":11.94159,"CLint.10uM.Low95th":4.05115,"CLint.10uM.High95th":54.25701,"CLint.1uM.Point":55.06973,"CLint.10uM.Point":56.42081,"Fit":"Decreasing","SMILES":"OC1=CC=C(Cl)C=C1CC1=CC(Cl)=CC=C1O"}
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{"DTXSID":"DTXSID6022341","Name":"Prometon","CAS":"1610-18-0","CompoundName":"BF00175263","Fup.point":0.01658,"Base.Fup.Med":0.05614,"Base.Fup.Low":0.02027,"Base.Fup.High":0.17736,"Affinity.Fup.Med":0.02933,"Affinity.Fup.Low":0.0219,"Affinity.Fup.High":0.04175,"Affinity.Kd.Med":31.80755,"Affinity.Kd.Low":23.56856,"Affinity.Kd.High":45.86138,"Decreases.Prob":1,"Saturates.Prob":0.98678,"Slope.1uM.Median":0.00409,"Slope.10uM.Median":0.00077,"CLint.1uM.Median":8.17085,"CLint.1uM.Low95th":2.7135,"CLint.1uM.High95th":10.31046,"CLint.10uM.Median":1.53161,"CLint.10uM.Low95th":0.525,"CLint.10uM.High95th":2.62893,"CLint.1uM.Point":10.00568,"CLint.10uM.Point":1.68224,"Fit":"Decreasing","SMILES":"COC1=NC(NC(C)C)=NC(NC(C)C)=N1"}
{"DTXSID":"DTXSID6022345","Name":"o,p'-DDT","CAS":"789-02-6","CompoundName":"1444923","Fup.point":0,"Base.Fup.Med":3.50163e-06,"Base.Fup.Low":1.73687e-10,"Base.Fup.High":0.07325,"Affinity.Fup.Med":1.20476e-08,"Affinity.Fup.Low":1.63339e-13,"Affinity.Fup.High":0.0016,"Affinity.Kd.Med":0.00001,"Affinity.Kd.Low":1.71935e-10,"Affinity.Kd.High":1.68353,"Decreases.Prob":1,"Saturates.Prob":0.32136,"Slope.1uM.Median":0.00765,"Slope.10uM.Median":0.00708,"CLint.1uM.Median":15.29307,"CLint.1uM.Low95th":8.77446,"CLint.1uM.High95th":21.78441,"CLint.10uM.Median":14.16225,"CLint.10uM.Low95th":6.37871,"CLint.10uM.High95th":19.3726,"CLint.1uM.Point":15.90265,"CLint.10uM.Point":17.94276,"Fit":"Decreasing","SMILES":"ClC1=CC=C(C=C1)C(C1=CC=CC=C1Cl)C(Cl)(Cl)Cl"}
{"DTXSID":"DTXSID6022391","Name":"Apigenin","CAS":"520-36-5","CompoundName":"EV0000611","Fup.point":-0.00132,"Base.Fup.Med":1.87354e-06,"Base.Fup.Low":1.86006e-10,"Base.Fup.High":0.05461,"Affinity.Fup.Med":0.00006,"Affinity.Fup.Low":2.40436e-13,"Affinity.Fup.High":0.01354,"Affinity.Kd.Med":0.06044,"Affinity.Kd.Low":2.53091e-10,"Affinity.Kd.High":14.44887,"Decreases.Prob":1,"Saturates.Prob":1,"Slope.1uM.Median":0.06902,"Slope.10uM.Median":0.01404,"CLint.1uM.Median":138.0333,"CLint.1uM.Low95th":108.12096,"CLint.1uM.High95th":159.41504,"CLint.10uM.Median":28.0864,"CLint.10uM.Low95th":14.63775,"CLint.10uM.High95th":41.32881,"CLint.1uM.Point":105.98392,"CLint.10uM.Point":46.0514,"Fit":"Decreasing","SMILES":"OC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C=C2O"}
{"DTXSID":"DTXSID6022422","Name":"4,4'-Methylenedianiline","CAS":"101-77-9","CompoundName":"TX001814","Fup.point":0.21827,"Base.Fup.Med":0.2472,"Base.Fup.Low":0.21077,"Base.Fup.High":0.29785,"Affinity.Fup.Med":0.26195,"Affinity.Fup.Low":0.22937,"Affinity.Fup.High":0.30285,"Affinity.Kd.Med":373.598,"Affinity.Kd.Low":313.29685,"Affinity.Kd.High":457.2652,"Decreases.Prob":0.99982,"Saturates.Prob":0.45456,"Slope.1uM.Median":0.00169,"Slope.10uM.Median":0.00139,"CLint.1uM.Median":3.37199,"CLint.1uM.Low95th":1.40113,"CLint.1uM.High95th":5.45616,"CLint.10uM.Median":2.77549,"CLint.10uM.Low95th":0.78105,"CLint.10uM.High95th":4.52294,"CLint.1uM.Point":4.59064,"CLint.10uM.Point":3.34784,"Fit":"Decreasing","SMILES":"NC1=CC=C(CC2=CC=C(N)C=C2)C=C1"}
{"DTXSID":"DTXSID6022474","Name":"Corticosterone","CAS":"50-22-6","CompoundName":"EV0001861","Fup.point":0.13167,"Base.Fup.Med":0.1545,"Base.Fup.Low":0.0014,"Base.Fup.High":0.20539,"Affinity.Fup.Med":0.13674,"Affinity.Fup.Low":0.11087,"Affinity.Fup.High":0.17635,"Affinity.Kd.Med":166.732,"Affinity.Kd.Low":131.2556,"Affinity.Kd.High":225.38387,"Decreases.Prob":1,"Saturates.Prob":0.8465,"Slope.1uM.Median":0.00606,"Slope.10uM.Median":0.00282,"CLint.1uM.Median":12.12817,"CLint.1uM.Low95th":4.60035,"CLint.1uM.High95th":16.82872,"CLint.10uM.Median":5.63829,"CLint.10uM.Low95th":2.27891,"CLint.10uM.High95th":7.6371,"CLint.1uM.Point":17.03068,"CLint.10uM.Point":6.75763,"Fit":"Decreasing","SMILES":"CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)CO"}
{"DTXSID":"DTXSID6022927","Name":"2',3'-Dideoxyinosine","CAS":"69655-05-6","CompoundName":"EV0001858","Fup.point":1.58362,"Base.Fup.Med":0.82894,"Base.Fup.Low":0.59114,"Base.Fup.High":0.99038,"Affinity.Fup.Med":0.95036,"Affinity.Fup.Low":0.69646,"Affinity.Fup.High":0.98878,"Affinity.Kd.Med":20154.35,"Affinity.Kd.Low":2415.24175,"Affinity.Kd.High":92746.2225,"Decreases.Prob":0.00058,"Saturates.Prob":0.50146,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":0,"CLint.10uM.Point":0,"Fit":"Point Est. Zero","SMILES":"OCC1CCC(O1)N1C=NC2=C1N=CNC2=O"}
{"DTXSID":"DTXSID6023525","Name":"Propranolol","CAS":"525-66-6","CompoundName":"Propranolol","Fup.point":0.27714,"Base.Fup.Med":0.31698,"Base.Fup.Low":0.26028,"Base.Fup.High":0.37778,"Affinity.Fup.Med":0.28181,"Affinity.Fup.Low":0.23617,"Affinity.Fup.High":0.33816,"Affinity.Kd.Med":413.0385,"Affinity.Kd.Low":325.46105,"Affinity.Kd.High":537.83772,"SMILES":"CC(C)NCC(O)COC1=C2C=CC=CC2=CC=C1"}
{"DTXSID":"DTXSID6023652","Name":"6-Thioguanine","CAS":"154-42-7","CompoundName":"EV0000631","Fup.point":0.35686,"Base.Fup.Med":0.47982,"Base.Fup.Low":0.26206,"Base.Fup.High":0.90104,"Affinity.Fup.Med":0.79935,"Affinity.Fup.Low":0.39752,"Affinity.Fup.High":0.98723,"Affinity.Kd.Med":4193.525,"Affinity.Kd.Low":694.53678,"Affinity.Kd.High":81401.2375,"Decreases.Prob":0.52218,"Saturates.Prob":0.52824,"Slope.1uM.Median":0.00118,"Slope.10uM.Median":0.00049,"CLint.1uM.Median":2.36227,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":9.9724,"CLint.10uM.Median":0.98939,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":7.14703,"CLint.1uM.Point":7.78585,"CLint.10uM.Point":0,"Fit":"Decreasing","SMILES":"NC1=NC2=C(NC=N2)C(=S)N1"}
{"DTXSID":"DTXSID6023862","Name":"Aldoxycarb","CAS":"1646-88-4","CompoundName":"BF00175327","Fup.point":1.43965,"Base.Fup.Med":0.92161,"Base.Fup.Low":0.7706,"Base.Fup.High":0.99532,"Affinity.Fup.Med":0.94721,"Affinity.Fup.Low":0.73085,"Affinity.Fup.High":0.9886,"Affinity.Kd.Med":18885.5,"Affinity.Kd.Low":2858.3,"Affinity.Kd.High":91250.3625,"Decreases.Prob":0.00144,"Saturates.Prob":0.49926,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":0,"CLint.10uM.Point":0,"Fit":"Point Est. Zero","SMILES":"CNC(=O)ON=CC(C)(C)S(C)(=O)=O"}
{"DTXSID":"DTXSID6023868","Name":"Hydramethylnon","CAS":"67485-29-4","CompoundName":"EV0000643","Fup.point":-0.00024,"Base.Fup.Med":1.5393e-06,"Base.Fup.Low":1.5772e-10,"Base.Fup.High":0.02375,"Affinity.Fup.Med":1.36893e-08,"Affinity.Fup.Low":1.61027e-13,"Affinity.Fup.High":0.00129,"Affinity.Kd.Med":0.00001,"Affinity.Kd.Low":1.69502e-10,"Affinity.Kd.High":1.3639,"Decreases.Prob":0.99404,"Saturates.Prob":0.33136,"Slope.1uM.Median":0.00219,"Slope.10uM.Median":0.00198,"CLint.1uM.Median":4.37939,"CLint.1uM.Low95th":1.87761,"CLint.1uM.High95th":6.83638,"CLint.10uM.Median":3.96659,"CLint.10uM.Low95th":1.12796,"CLint.10uM.High95th":6.27683,"CLint.1uM.Point":4.95645,"CLint.10uM.Point":4.59254,"Fit":"Decreasing","SMILES":"CC1(C)CNC(NC1)=NN=C(C=CC1=CC=C(C=C1)C(F)(F)F)C=CC1=CC=C(C=C1)C(F)(F)F"}
{"DTXSID":"DTXSID6024046","Name":"Paraoxon","CAS":"311-45-5","CompoundName":"BF00175324","Fup.point":0.46814,"Base.Fup.Med":0.46019,"Base.Fup.Low":0.4239,"Base.Fup.High":0.51032,"Affinity.Fup.Med":0.46056,"Affinity.Fup.Low":0.41061,"Affinity.Fup.High":0.51846,"Affinity.Kd.Med":898.7045,"Affinity.Kd.Low":733.34147,"Affinity.Kd.High":1133.332,"Decreases.Prob":0.00454,"Saturates.Prob":0.49866,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":0,"CLint.10uM.Point":3.42624,"Fit":"Point Est. Zero","SMILES":"CCOP(=O)(OCC)OC1=CC=C(C=C1)[N+]([O-])=O"}
{"DTXSID":"DTXSID6024123","Name":"Haloxyfop-methyl","CAS":"69806-40-2","CompoundName":"BF00175302","Fup.point":0.00193,"Base.Fup.Med":0.00041,"Base.Fup.Low":2.44342e-10,"Base.Fup.High":0.10905,"Affinity.Fup.Med":0.00728,"Affinity.Fup.Low":0.00472,"Affinity.Fup.High":0.01276,"Affinity.Kd.Med":7.71628,"Affinity.Kd.Low":4.9963,"Affinity.Kd.High":13.60575,"Decreases.Prob":1,"Saturates.Prob":0.27322,"Slope.1uM.Median":0.2334,"Slope.10uM.Median":0.21669,"CLint.1uM.Median":466.798,"CLint.1uM.Low95th":257.3233,"CLint.1uM.High95th":619.1826,"CLint.10uM.Median":433.385,"CLint.10uM.Low95th":198.8467,"CLint.10uM.High95th":603.5142,"CLint.1uM.Point":57.80836,"CLint.10uM.Point":65.9048,"Fit":"Decreasing","SMILES":"COC(=O)C(C)OC1=CC=C(OC2=NC=C(C=C2Cl)C(F)(F)F)C=C1"}
{"DTXSID":"DTXSID6024177","Name":"Methamidophos","CAS":"10265-92-6","CompoundName":"TX000901","Affinity.Fup.Med":0.43241,"Affinity.Fup.Low":6.66017e-13,"Affinity.Fup.High":0.98678,"Affinity.Kd.Med":801.948,"Affinity.Kd.Low":7.01071e-10,"Affinity.Kd.High":78567.575,"Decreases.Prob":0.00386,"Saturates.Prob":0.50022,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":0,"CLint.10uM.Point":0,"Fit":"Point Est. Zero","SMILES":"COP(N)(=O)SC"}
{"DTXSID":"DTXSID6024200","Name":"m-Cresol","CAS":"108-39-4","CompoundName":"EV0001377","Fup.point":0.33654,"Base.Fup.Med":0.36195,"Base.Fup.Low":0.28271,"Base.Fup.High":0.48193,"Affinity.Fup.Med":0.36083,"Affinity.Fup.Low":0.29076,"Affinity.Fup.High":0.45651,"Affinity.Kd.Med":594.238,"Affinity.Kd.Low":431.54352,"Affinity.Kd.High":884.1777,"SMILES":"CC1=CC(O)=CC=C1"}
{"DTXSID":"DTXSID6024254","Name":"Phenanthrene","CAS":"85-01-8","CompoundName":"BF00174538","Fup.point":0.43478,"Base.Fup.Med":0.00001,"Base.Fup.Low":1.7607e-10,"Base.Fup.High":0.54817,"Affinity.Fup.Med":0.00001,"Affinity.Fup.Low":3.24724e-13,"Affinity.Fup.High":0.98025,"Affinity.Kd.Med":0.01218,"Affinity.Kd.Low":3.41815e-10,"Affinity.Kd.High":52258.27,"SMILES":"C1=CC2=C(C=C1)C1=C(C=CC=C1)C=C2"}
{"DTXSID":"DTXSID6024337","Name":"Thiobencarb","CAS":"28249-77-6","CompoundName":"BF00175258","Fup.point":-0.00528,"Base.Fup.Med":1.09957e-06,"Base.Fup.Low":1.7411e-10,"Base.Fup.High":0.00694,"Affinity.Fup.Med":1.75201e-08,"Affinity.Fup.Low":2.10865e-13,"Affinity.Fup.High":0.00366,"Affinity.Kd.Med":0.00002,"Affinity.Kd.Low":2.21962e-10,"Affinity.Kd.High":3.86571,"Decreases.Prob":1,"Saturates.Prob":0.91596,"Slope.1uM.Median":0.11656,"Slope.10uM.Median":0.03311,"CLint.1uM.Median":233.128,"CLint.1uM.Low95th":64.85639,"CLint.1uM.High95th":365.25015,"CLint.10uM.Median":66.2171,"CLint.10uM.Low95th":59.26978,"CLint.10uM.High95th":71.79103,"CLint.1uM.Point":383.52912,"CLint.10uM.Point":70.70342,"Fit":"Decreasing","SMILES":"CCN(CC)C(=O)SCC1=CC=C(Cl)C=C1"}
{"DTXSID":"DTXSID6024466","Name":"4-Aminobenzoic acid","CAS":"150-13-0","CompoundName":"EV0001453","Fup.point":0.85614,"Base.Fup.Med":0.76161,"Base.Fup.Low":0.58976,"Base.Fup.High":0.9229,"Affinity.Fup.Med":0.76846,"Affinity.Fup.Low":0.62202,"Affinity.Fup.High":0.96707,"Affinity.Kd.Med":3493.49,"Affinity.Kd.Low":1732.28325,"Affinity.Kd.High":30911.29,"Decreases.Prob":0.05908,"Saturates.Prob":0.50926,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":2.38348,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":1.35426,"CLint.1uM.Point":3.17568,"CLint.10uM.Point":0,"Fit":"Bayesian Zero","SMILES":"NC1=CC=C(C=C1)C(O)=O"}
{"DTXSID":"DTXSID6024888","Name":"Cyclophosphamide monohydrate","CAS":"6055-19-2","CompoundName":"EV0001432","Fup.point":0.95273,"Base.Fup.Med":0.77332,"Base.Fup.Low":0.59179,"Base.Fup.High":0.97229,"Affinity.Fup.Med":0.78546,"Affinity.Fup.Low":0.5807,"Affinity.Fup.High":0.98525,"Affinity.Kd.Med":3853.79,"Affinity.Kd.Low":1457.787,"Affinity.Kd.High":70332.135,"Decreases.Prob":0.00018,"Saturates.Prob":0.50268,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":0,"CLint.10uM.Point":0,"Fit":"Point Est. Zero","SMILES":"ClCCN(CCCl)P1(=O)NCCCO1"}
{"DTXSID":"DTXSID6025014","Name":"Benzal chloride","CAS":"98-87-3","CompoundName":"EV0002007","Fup.point":0,"Base.Fup.Med":5.87871e-06,"Base.Fup.Low":1.85402e-10,"Base.Fup.High":0.11499,"Affinity.Fup.Med":8.80503e-07,"Affinity.Fup.Low":2.17179e-13,"Affinity.Fup.High":0.29301,"Affinity.Kd.Med":0.00093,"Affinity.Kd.Low":2.28608e-10,"Affinity.Kd.High":436.25043,"SMILES":"ClC(Cl)C1=CC=CC=C1"}
{"DTXSID":"DTXSID6025068","Name":"Dihexyl phthalate","CAS":"84-75-3","CompoundName":"EV0000634","Fup.point":0.35603,"Base.Fup.Med":7.46964e-06,"Base.Fup.Low":1.70468e-10,"Base.Fup.High":0.51969,"Affinity.Fup.Med":3.17508e-06,"Affinity.Fup.Low":2.22398e-13,"Affinity.Fup.High":0.96959,"Affinity.Kd.Med":0.00334,"Affinity.Kd.Low":2.34102e-10,"Affinity.Kd.High":33559.8325,"Decreases.Prob":1,"Saturates.Prob":0.33654,"Slope.1uM.Median":0.01386,"Slope.10uM.Median":0.01362,"CLint.1uM.Median":27.7184,"CLint.1uM.Low95th":15.69845,"CLint.1uM.High95th":108.29511,"CLint.10uM.Median":27.2415,"CLint.10uM.Low95th":13.13953,"CLint.10uM.High95th":52.36144,"CLint.1uM.Point":24.34113,"CLint.10uM.Point":51.48604,"Fit":"Decreasing","SMILES":"CCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCC"}
{"DTXSID":"DTXSID6025143","Name":"2,3-Dimethylphenol","CAS":"526-75-0","CompoundName":"EV0001366","Decreases.Prob":1,"Saturates.Prob":0.68348,"Slope.1uM.Median":0.02036,"Slope.10uM.Median":0.01381,"CLint.1uM.Median":40.7189,"CLint.1uM.Low95th":21.32599,"CLint.1uM.High95th":77.92459,"CLint.10uM.Median":27.6265,"CLint.10uM.Low95th":9.82346,"CLint.10uM.High95th":39.89042,"CLint.1uM.Point":80.44928,"CLint.10uM.Point":45.02712,"Fit":"Decreasing","SMILES":"CC1=C(C)C(O)=CC=C1"}
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{"DTXSID":"DTXSID7020687","Name":"1,2,3,4,5,6-Hexachlorocyclohexane","CAS":"608-73-1","CompoundName":"1444865","Fup.point":0.00821,"Base.Fup.Med":0.02852,"Base.Fup.Low":0.01098,"Base.Fup.High":0.12461,"Affinity.Fup.Med":0.01717,"Affinity.Fup.Low":0.01069,"Affinity.Fup.High":0.03426,"Affinity.Kd.Med":18.3848,"Affinity.Kd.Low":11.37085,"Affinity.Kd.High":37.33711,"Decreases.Prob":0.18886,"Saturates.Prob":0.4732,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":11.3074,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":10.40011,"CLint.1uM.Point":0,"CLint.10uM.Point":0,"Fit":"Point Est. Zero","SMILES":"ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl"}
{"DTXSID":"DTXSID7020710","Name":"1,2-Diphenylhydrazine","CAS":"122-66-7","CompoundName":"BF00175294","Fup.point":-0.23063,"Base.Fup.Med":0.00001,"Base.Fup.Low":1.61045e-10,"Base.Fup.High":0.46447,"Affinity.Fup.Med":3.27077e-06,"Affinity.Fup.Low":2.11483e-13,"Affinity.Fup.High":0.96991,"Affinity.Kd.Med":0.00344,"Affinity.Kd.Low":2.22614e-10,"Affinity.Kd.High":33940.225,"Decreases.Prob":1,"Saturates.Prob":0.33552,"Slope.1uM.Median":0.0095,"Slope.10uM.Median":0.00867,"CLint.1uM.Median":19.00467,"CLint.1uM.Low95th":10.16238,"CLint.1uM.High95th":24.10462,"CLint.10uM.Median":17.34407,"CLint.10uM.Low95th":4.49049,"CLint.10uM.High95th":23.8168,"CLint.1uM.Point":23.69684,"CLint.10uM.Point":18.46743,"Fit":"Decreasing","SMILES":"N(NC1=CC=CC=C1)C1=CC=CC=C1"}
{"DTXSID":"DTXSID7020764","Name":"Chlorpropham","CAS":"101-21-3","CompoundName":"BF00174507","Fup.point":0.34032,"Base.Fup.Med":8.76699e-06,"Base.Fup.Low":1.86243e-10,"Base.Fup.High":0.52472,"Affinity.Fup.Med":0.08331,"Affinity.Fup.Low":0.05139,"Affinity.Fup.High":0.35174,"Affinity.Kd.Med":95.667,"Affinity.Kd.Low":57.0252,"Affinity.Kd.High":571.15997,"Decreases.Prob":0.99604,"Saturates.Prob":0.84048,"Slope.1uM.Median":0.03904,"Slope.10uM.Median":0.00545,"CLint.1uM.Median":78.0707,"CLint.1uM.Low95th":7.69756,"CLint.1uM.High95th":1081.26255,"CLint.10uM.Median":10.90845,"CLint.10uM.Low95th":4.75016,"CLint.10uM.High95th":15.47656,"CLint.1uM.Point":0,"CLint.10uM.Point":11.28925,"Fit":"Point Est. Zero","SMILES":"CC(C)OC(=O)NC1=CC=CC(Cl)=C1"}
{"DTXSID":"DTXSID7020972","Name":"Nitrofurantoin","CAS":"67-20-9","CompoundName":"EV0000654","Fup.point":0.38259,"Base.Fup.Med":0.40722,"Base.Fup.Low":0.22398,"Base.Fup.High":0.76722,"Affinity.Fup.Med":0.41329,"Affinity.Fup.Low":0.23816,"Affinity.Fup.High":0.89162,"Affinity.Kd.Med":741.486,"Affinity.Kd.Low":329.06435,"Affinity.Kd.High":8659.71,"Decreases.Prob":0.00158,"Saturates.Prob":0.50372,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":0,"CLint.10uM.Point":0,"Fit":"Point Est. Zero","SMILES":"[O-][N+](=O)C1=CC=C(O1)C=NN1CC(=O)NC1=O"}
{"DTXSID":"DTXSID7021239","Name":"all-trans-Retinoic acid","CAS":"302-79-4","CompoundName":"EV0002019","Fup.point":0,"Base.Fup.Med":2.43747e-06,"Base.Fup.Low":1.88095e-10,"Base.Fup.High":0.04211,"Affinity.Fup.Med":0.00414,"Affinity.Fup.Low":0.00115,"Affinity.Fup.High":0.01179,"Affinity.Kd.Med":4.37807,"Affinity.Kd.Low":1.21586,"Affinity.Kd.High":12.55828,"Decreases.Prob":1,"Saturates.Prob":0.47286,"Slope.1uM.Median":0.00525,"Slope.10uM.Median":0.00424,"CLint.1uM.Median":10.49075,"CLint.1uM.Low95th":4.20551,"CLint.1uM.High95th":19.706,"CLint.10uM.Median":8.47917,"CLint.10uM.Low95th":2.79827,"CLint.10uM.High95th":13.12874,"CLint.1uM.Point":14.89503,"CLint.10uM.Point":12.83976,"Fit":"Decreasing","SMILES":"CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(O)=O"}
{"DTXSID":"DTXSID7021940","Name":"1-Octanol","CAS":"111-87-5","CompoundName":"EV0000633","Fup.point":0.61367,"Base.Fup.Med":0.56379,"Base.Fup.Low":0.37578,"Base.Fup.High":0.87795,"Affinity.Fup.Med":0.6429,"Affinity.Fup.Low":0.3012,"Affinity.Fup.High":0.98541,"Affinity.Kd.Med":1895.09,"Affinity.Kd.Low":453.71485,"Affinity.Kd.High":71112.3,"SMILES":"CCCCCCCCO"}
{"DTXSID":"DTXSID7021992","Name":"Sodium saccharin hydrate","CAS":"82385-42-0","CompoundName":"EV0000617","Fup.point":0.19324,"Base.Fup.Med":0.24423,"Base.Fup.Low":8.64147e-08,"Base.Fup.High":0.48615,"Affinity.Fup.Med":0.69538,"Affinity.Fup.Low":0.42762,"Affinity.Fup.High":0.98748,"Affinity.Kd.Med":2402.925,"Affinity.Kd.Low":786.4271,"Affinity.Kd.High":83028.015,"Decreases.Prob":0.45628,"Saturates.Prob":0.51942,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":9.31989,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":7.14589,"CLint.1uM.Point":7.64195,"CLint.10uM.Point":5.27646,"Fit":"Bayesian Zero","SMILES":"O=C1NS(=O)(=O)C2=C1C=CC=C2"}
{"DTXSID":"DTXSID7022049","Name":"2,4,6-Trimethylphenol","CAS":"527-60-6","CompoundName":"EV0001875","Fup.point":0.10029,"Base.Fup.Med":0.149,"Base.Fup.Low":0.0952,"Base.Fup.High":0.26685,"Affinity.Fup.Med":0.1089,"Affinity.Fup.Low":0.08918,"Affinity.Fup.High":0.13594,"Affinity.Kd.Med":128.637,"Affinity.Kd.Low":103.0601,"Affinity.Kd.High":165.60718,"Decreases.Prob":1,"Saturates.Prob":0.94496,"Slope.1uM.Median":0.08143,"Slope.10uM.Median":0.02714,"CLint.1uM.Median":162.853,"CLint.1uM.Low95th":53.77893,"CLint.1uM.High95th":199.00443,"CLint.10uM.Median":54.2836,"CLint.10uM.Low95th":49.55956,"CLint.10uM.High95th":59.06642,"CLint.1uM.Point":250.47611,"CLint.10uM.Point":78.09251,"Fit":"Decreasing","SMILES":"CC1=CC(C)=C(O)C(C)=C1"}
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{"DTXSID":"DTXSID7024081","Name":"Endothal","CAS":"145-73-3","CompoundName":"TX002724","Fup.point":1.2599,"Base.Fup.Med":0.81787,"Base.Fup.Low":0.56329,"Base.Fup.High":0.99064,"Affinity.Fup.Med":0.8704,"Affinity.Fup.Low":0.54646,"Affinity.Fup.High":0.98777,"Affinity.Kd.Med":7069.47,"Affinity.Kd.Low":1268.319,"Affinity.Kd.High":85052.525,"Decreases.Prob":0.00104,"Saturates.Prob":0.50116,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":0,"CLint.10uM.Point":0,"Fit":"Point Est. Zero","SMILES":"OC(=O)C1C2CCC(O2)C1C(O)=O"}
{"DTXSID":"DTXSID7024112","Name":"Fomesafen","CAS":"72178-02-0","CompoundName":"EV0000629","Fup.point":-0.00136,"Base.Fup.Med":2.73123e-06,"Base.Fup.Low":1.58848e-10,"Base.Fup.High":0.06794,"Affinity.Fup.Med":0.01686,"Affinity.Fup.Low":0.00704,"Affinity.Fup.High":0.04095,"Affinity.Kd.Med":18.05465,"Affinity.Kd.Low":7.46587,"Affinity.Kd.High":44.94049,"Decreases.Prob":0.00138,"Saturates.Prob":0.49712,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":0,"CLint.10uM.Point":0,"Fit":"Point Est. Zero","SMILES":"CS(=O)(=O)NC(=O)C1=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=CC=C1[N+]([O-])=O"}
{"DTXSID":"DTXSID7024164","Name":"Bensulfuron-methyl","CAS":"83055-99-6","CompoundName":"BF00175251","Fup.point":0.00409,"Base.Fup.Med":0.04657,"Base.Fup.Low":0.03096,"Base.Fup.High":0.0753,"Affinity.Fup.Med":0.01053,"Affinity.Fup.Low":0.00629,"Affinity.Fup.High":0.02008,"Affinity.Kd.Med":11.19715,"Affinity.Kd.Low":6.66077,"Affinity.Kd.High":21.57413,"Decreases.Prob":1,"Saturates.Prob":0.3504,"Slope.1uM.Median":0.00083,"Slope.10uM.Median":0.00075,"CLint.1uM.Median":1.65441,"CLint.1uM.Low95th":1.02404,"CLint.1uM.High95th":2.37456,"CLint.10uM.Median":1.49459,"CLint.10uM.Low95th":0.78709,"CLint.10uM.High95th":2.12344,"CLint.1uM.Point":2.02891,"CLint.10uM.Point":1.46508,"Fit":"Decreasing","SMILES":"COC(=O)C1=C(CS(=O)(=O)NC(=O)NC2=NC(OC)=CC(OC)=N2)C=CC=C1"}
{"DTXSID":"DTXSID7024247","Name":"Pentachlorobenzene","CAS":"608-93-5","CompoundName":"BF00175288","Decreases.Prob":1,"Saturates.Prob":0.37734,"Slope.1uM.Median":0.00818,"Slope.10uM.Median":0.00752,"CLint.1uM.Median":16.36526,"CLint.1uM.Low95th":8.43482,"CLint.1uM.High95th":38.46461,"CLint.10uM.Median":15.04377,"CLint.10uM.Low95th":6.27876,"CLint.10uM.High95th":19.62514,"CLint.1uM.Point":14.70207,"CLint.10uM.Point":17.20908,"Fit":"Decreasing","SMILES":"ClC1=CC(Cl)=C(Cl)C(Cl)=C1Cl"}
{"DTXSID":"DTXSID7024328","Name":"Sulfotepp","CAS":"3689-24-5","CompoundName":"BF00175254","Fup.point":0.00806,"Base.Fup.Med":0.00378,"Base.Fup.Low":1.62512e-09,"Base.Fup.High":0.08474,"Affinity.Fup.Med":0.01914,"Affinity.Fup.Low":0.01131,"Affinity.Fup.High":0.03391,"Affinity.Kd.Med":20.54245,"Affinity.Kd.Low":12.03648,"Affinity.Kd.High":36.95184,"Decreases.Prob":1,"Saturates.Prob":0.9983,"Slope.1uM.Median":0.05036,"Slope.10uM.Median":0.02193,"CLint.1uM.Median":100.729,"CLint.1uM.Low95th":74.8941,"CLint.1uM.High95th":117.59621,"CLint.10uM.Median":43.8639,"CLint.10uM.Low95th":30.32931,"CLint.10uM.High95th":50.96081,"CLint.1uM.Point":74.96258,"CLint.10uM.Point":56.34161,"Fit":"Decreasing","SMILES":"CCOP(=S)(OCC)OP(=S)(OCC)OCC"}
{"DTXSID":"DTXSID7024586","Name":"Benzothiazole","CAS":"95-16-9","CompoundName":"EV0000614","Decreases.Prob":1,"Saturates.Prob":0.7737,"Slope.1uM.Median":0.00946,"Slope.10uM.Median":0.0059,"CLint.1uM.Median":18.91756,"CLint.1uM.Low95th":10.01849,"CLint.1uM.High95th":26.55304,"CLint.10uM.Median":11.79764,"CLint.10uM.Low95th":5.62089,"CLint.10uM.High95th":15.11747,"CLint.1uM.Point":25.60692,"CLint.10uM.Point":12.87373,"Fit":"Decreasing","SMILES":"S1C=NC2=CC=CC=C12"}
{"DTXSID":"DTXSID7024827","Name":"Chlorpromazine hydrochloride","CAS":"69-09-0","CompoundName":"EV0000656","Fup.point":0.00572,"Base.Fup.Med":0.01908,"Base.Fup.Low":0.00872,"Base.Fup.High":0.07025,"Affinity.Fup.Med":0.02418,"Affinity.Fup.Low":0.01789,"Affinity.Fup.High":0.03807,"Affinity.Kd.Med":26.0869,"Affinity.Kd.Low":19.17732,"Affinity.Kd.High":41.65602,"Decreases.Prob":0.92236,"Saturates.Prob":0.51962,"Slope.1uM.Median":0.00271,"Slope.10uM.Median":0.002,"CLint.1uM.Median":5.42897,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":9.65106,"CLint.10uM.Median":3.99345,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":7.88006,"CLint.1uM.Point":7.86449,"CLint.10uM.Point":0,"Fit":"Decreasing","SMILES":"CN(C)CCCN1C2=C(SC3=C1C=C(Cl)C=C3)C=CC=C2"}
{"DTXSID":"DTXSID7025132","Name":"1,2-Dimethyl-3-nitrobenzene","CAS":"83-41-0","CompoundName":"EV0002018","Fup.point":0,"Base.Fup.Med":2.78331e-06,"Base.Fup.Low":1.58433e-10,"Base.Fup.High":0.05814,"Affinity.Fup.Med":4.98159e-08,"Affinity.Fup.Low":1.53667e-13,"Affinity.Fup.High":0.00611,"Affinity.Kd.Med":0.00005,"Affinity.Kd.Low":1.61755e-10,"Affinity.Kd.High":6.47625,"Decreases.Prob":1,"Saturates.Prob":0.9968,"Slope.1uM.Median":0.26142,"Slope.10uM.Median":0.03366,"CLint.1uM.Median":522.844,"CLint.1uM.Low95th":103.73379,"CLint.1uM.High95th":1273.10445,"CLint.10uM.Median":67.3177,"CLint.10uM.Low95th":56.8948,"CLint.10uM.High95th":74.56387,"CLint.10uM.Point":72.22404,"Fit":"Decreasing","SMILES":"CC1=CC=CC(=C1C)[N+]([O-])=O"}
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{"DTXSID":"DTXSID7029241","Name":"2,4-Bis(1-methyl-1-phenylethyl)phenol","CAS":"2772-45-4","CompoundName":"BF00174547","Decreases.Prob":1,"Saturates.Prob":0.7857,"Slope.1uM.Median":0.06424,"Slope.10uM.Median":0.01657,"CLint.1uM.Median":128.4816,"CLint.1uM.Low95th":26.60654,"CLint.1uM.High95th":1140.0588,"CLint.10uM.Median":33.1321,"CLint.10uM.Low95th":22.1284,"CLint.10uM.High95th":61.49332,"CLint.10uM.Point":29.4773,"Fit":"Decreasing","SMILES":"CC(C)(C1=CC=CC=C1)C1=CC(=C(O)C=C1)C(C)(C)C1=CC=CC=C1"}
{"DTXSID":"DTXSID7029320","Name":"2-Ethylhexyl 4-(dimethylamino)benzoate","CAS":"21245-02-3","CompoundName":"EV0002332","Fup.point":0.00005,"Base.Fup.Med":1.04359e-06,"Base.Fup.Low":1.64931e-10,"Base.Fup.High":0.01781,"Affinity.Fup.Med":1.63282e-08,"Affinity.Fup.Low":1.59851e-13,"Affinity.Fup.High":0.00221,"Affinity.Kd.Med":0.00002,"Affinity.Kd.Low":1.68265e-10,"Affinity.Kd.High":2.32768,"SMILES":"CCCCC(CC)COC(=O)C1=CC=C(C=C1)N(C)C"}
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{"DTXSID":"DTXSID8044545","Name":"Minocycline hydrochloride","CAS":"13614-98-7","CompoundName":"EV0001327","Fup.point":0.36957,"Base.Fup.Med":0.37682,"Base.Fup.Low":0.31489,"Base.Fup.High":0.45064,"Affinity.Fup.Med":0.2865,"Affinity.Fup.Low":2.62951e-12,"Affinity.Fup.High":0.93001,"Affinity.Kd.Med":422.666,"Affinity.Kd.Low":2.7679e-09,"Affinity.Kd.High":13987.21,"Decreases.Prob":0.00234,"Saturates.Prob":0.50348,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":-43.66144,"CLint.10uM.Point":-23.8139,"Fit":"Bayesian Zero","SMILES":"CN(C)C1C2CC3CC4=C(C(O)=CC=C4N(C)C)C(=O)C3C(=O)C2(O)C(=O)C(C(N)=O)C1=O"}
{"DTXSID":"DTXSID8044593","Name":"1-Benzylquinolinium chloride","CAS":"15619-48-4","CompoundName":"EV0002027","Fup.point":0.69961,"Base.Fup.Med":0.65335,"Base.Fup.Low":0.53733,"Base.Fup.High":0.79865,"Affinity.Fup.Med":0.59715,"Affinity.Fup.Low":0.5056,"Affinity.Fup.High":0.74161,"Affinity.Kd.Med":1560.355,"Affinity.Kd.Low":1076.4795,"Affinity.Kd.High":3021.24375,"Decreases.Prob":1,"Saturates.Prob":0.3093,"Slope.1uM.Median":0.00365,"Slope.10uM.Median":0.00334,"CLint.1uM.Median":7.3091,"CLint.1uM.Low95th":2.52173,"CLint.1uM.High95th":11.95315,"CLint.10uM.Median":6.67095,"CLint.10uM.Low95th":1.64956,"CLint.10uM.High95th":11.08486,"CLint.1uM.Point":34.65767,"CLint.10uM.Point":11.05944,"Fit":"Decreasing","SMILES":"C(C1=CC=CC=C1)[N+]1=C2C=CC=CC2=CC=C1"}
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{"DTXSID":"DTXSID8047050","Name":"Nootkatone","CAS":"4674-50-4","CompoundName":"EV0001464","Fup.point":0.00691,"Base.Fup.Med":6.86326e-06,"Base.Fup.Low":1.75471e-10,"Base.Fup.High":0.06763,"Affinity.Fup.Med":6.98797e-08,"Affinity.Fup.Low":2.08777e-13,"Affinity.Fup.High":0.01447,"Affinity.Kd.Med":0.00007,"Affinity.Kd.Low":2.19766e-10,"Affinity.Kd.High":15.45328,"Decreases.Prob":1,"Saturates.Prob":1,"Slope.1uM.Median":0.08624,"Slope.10uM.Median":0.03056,"CLint.1uM.Median":172.4822,"CLint.1uM.Low95th":131.61429,"CLint.1uM.High95th":202.18605,"CLint.10uM.Median":61.1251,"CLint.10uM.Low95th":52.36738,"CLint.10uM.High95th":66.9434,"CLint.1uM.Point":72.61499,"CLint.10uM.Point":65.73822,"Fit":"Decreasing","SMILES":"CC1CC(=O)C=C2CCC(CC12C)C(C)=C"}
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{"DTXSID":"DTXSID8047553","Name":"Perfluoroundecanoic acid","CAS":"2058-94-8","CompoundName":"BF00174548","Fup.point":0.00012,"Base.Fup.Med":8.10179e-07,"Base.Fup.Low":1.53772e-10,"Base.Fup.High":0.00696,"Affinity.Fup.Med":9.53376e-09,"Affinity.Fup.Low":1.73544e-13,"Affinity.Fup.High":0.00055,"Affinity.Kd.Med":0.00001,"Affinity.Kd.Low":1.82677e-10,"Affinity.Kd.High":0.58026,"SMILES":"OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"}
{"DTXSID":"DTXSID8047890","Name":"3,3'-Dimethylbisphenol A","CAS":"79-97-0","CompoundName":"BF00174555","Decreases.Prob":1,"Saturates.Prob":0.94732,"Slope.1uM.Median":0.09528,"Slope.10uM.Median":0.01469,"CLint.1uM.Median":190.5607,"CLint.1uM.Low95th":28.58039,"CLint.1uM.High95th":1166.11305,"CLint.10uM.Median":29.3715,"CLint.10uM.Low95th":14.8685,"CLint.10uM.High95th":39.33281,"CLint.1uM.Point":17.64819,"CLint.10uM.Point":35.46073,"Fit":"Decreasing","SMILES":"CC1=CC(=CC=C1O)C(C)(C)C1=CC(C)=C(O)C=C1"}
{"DTXSID":"DTXSID9020114","Name":"Auramine hydrochloride","CAS":"2465-27-2","CompoundName":"EV0001387","Fup.point":0.13478,"Base.Fup.Med":0.17703,"Base.Fup.Low":0.12852,"Base.Fup.High":0.2725,"Affinity.Fup.Med":0.10733,"Affinity.Fup.Low":0.07971,"Affinity.Fup.High":0.13887,"Affinity.Kd.Med":126.568,"Affinity.Kd.Low":91.1728,"Affinity.Kd.High":169.74685,"Decreases.Prob":1,"Saturates.Prob":0.6037,"Slope.1uM.Median":0.00433,"Slope.10uM.Median":0.00318,"CLint.1uM.Median":8.66009,"CLint.1uM.Low95th":4.14071,"CLint.1uM.High95th":13.73704,"CLint.10uM.Median":6.35947,"CLint.10uM.Low95th":2.20274,"CLint.10uM.High95th":9.79592,"CLint.1uM.Point":13.0976,"CLint.10uM.Point":9.26123,"Fit":"Decreasing","SMILES":"CN(C)C1=CC=C(C=C1)C(=N)C1=CC=C(C=C1)N(C)C"}
{"DTXSID":"DTXSID9020160","Name":"Bifenthrin","CAS":"82657-04-3","CompoundName":"BF00175297","Decreases.Prob":0.00064,"Saturates.Prob":0.49544,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":0,"CLint.10uM.Point":0,"Fit":"Point Est. Zero","SMILES":"Cc1c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)cccc1-c1ccccc1"}
{"DTXSID":"DTXSID9020295","Name":"4-Chloroanulline","CAS":"106-47-8","CompoundName":"BF00175253","Fup.point":0.275,"Base.Fup.Med":0.29729,"Base.Fup.Low":0.25999,"Base.Fup.High":0.33882,"Affinity.Fup.Med":0.26426,"Affinity.Fup.Low":0.23837,"Affinity.Fup.High":0.29656,"Affinity.Kd.Med":378.0785,"Affinity.Kd.Low":329.44158,"Affinity.Kd.High":443.7782,"Decreases.Prob":0.0471,"Saturates.Prob":0.50938,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":6.04651,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":3.34098,"CLint.1uM.Point":0,"CLint.10uM.Point":0,"Fit":"Point Est. Zero","SMILES":"NC1=CC=C(Cl)C=C1"}
{"DTXSID":"DTXSID9020299","Name":"Chlorobenzilate","CAS":"510-15-6","CompoundName":"BF00175239","Decreases.Prob":1,"Saturates.Prob":0.99366,"Slope.1uM.Median":0.23859,"Slope.10uM.Median":0.01896,"CLint.1uM.Median":477.18,"CLint.1uM.Low95th":58.65504,"CLint.1uM.High95th":1272.7023,"CLint.10uM.Median":37.9187,"CLint.10uM.Low95th":11.45869,"CLint.10uM.High95th":56.07415,"CLint.10uM.Point":56.2771,"Fit":"Decreasing","SMILES":"CCOC(=O)C(O)(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1"}
{"DTXSID":"DTXSID9020370","Name":"Daminozide","CAS":"1596-84-5","CompoundName":"TX000184","Fup.point":1.11436,"Base.Fup.Med":0.78991,"Base.Fup.Low":0.44223,"Base.Fup.High":0.98586,"Affinity.Fup.Med":0.93991,"Affinity.Fup.Low":0.64554,"Affinity.Fup.High":0.98849,"Affinity.Kd.Med":16464.35,"Affinity.Kd.Low":1917.05,"Affinity.Kd.High":90375.205,"Decreases.Prob":0.9843,"Saturates.Prob":0.58588,"Slope.1uM.Median":0.00115,"Slope.10uM.Median":0.00081,"CLint.1uM.Median":2.29012,"CLint.1uM.Low95th":0.67245,"CLint.1uM.High95th":4.82558,"CLint.10uM.Median":1.62814,"CLint.10uM.Low95th":0.32768,"CLint.10uM.High95th":2.90107,"CLint.1uM.Point":3.59547,"CLint.10uM.Point":1.96475,"Fit":"Decreasing","SMILES":"CN(C)NC(=O)CCC(O)=O"}
{"DTXSID":"DTXSID9020374","Name":"p,p'-DDE","CAS":"72-55-9","CompoundName":"BF00174534","Fup.point":0.4,"Base.Fup.Med":0.00001,"Base.Fup.Low":1.79513e-10,"Base.Fup.High":0.62281,"Affinity.Fup.Med":1.52543e-06,"Affinity.Fup.Low":2.4629e-13,"Affinity.Fup.High":0.97849,"Affinity.Kd.Med":0.00161,"Affinity.Kd.Low":2.59253e-10,"Affinity.Kd.High":47880.32,"Decreases.Prob":1,"Saturates.Prob":0.69162,"Slope.1uM.Median":0.09941,"Slope.10uM.Median":0.04351,"CLint.1uM.Median":198.8104,"CLint.1uM.Low95th":22.94213,"CLint.1uM.High95th":1189.4823,"CLint.10uM.Median":87.0147,"CLint.10uM.Low95th":10.13797,"CLint.10uM.High95th":240.0895,"CLint.1uM.Point":0,"CLint.10uM.Point":0,"Fit":"Point Est. Zero","SMILES":"ClC(Cl)=C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1"}
{"DTXSID":"DTXSID9020407","Name":"Diazinon","CAS":"333-41-5","CompoundName":"1444925","Fup.point":0.03179,"Base.Fup.Med":0.08544,"Base.Fup.Low":0.03618,"Base.Fup.High":0.17243,"Affinity.Fup.Med":0.03882,"Affinity.Fup.Low":0.03192,"Affinity.Fup.High":0.04746,"Affinity.Kd.Med":42.51155,"Affinity.Kd.Low":34.704,"Affinity.Kd.High":52.44796,"Decreases.Prob":1,"Saturates.Prob":0.95966,"Slope.1uM.Median":0.01525,"Slope.10uM.Median":0.00549,"CLint.1uM.Median":30.494,"CLint.1uM.Low95th":13.69745,"CLint.1uM.High95th":38.96701,"CLint.10uM.Median":10.97893,"CLint.10uM.Low95th":3.31028,"CLint.10uM.High95th":18.18736,"CLint.1uM.Point":31.5386,"CLint.10uM.Point":15.75023,"Fit":"Decreasing","SMILES":"CCOP(=S)(OCC)OC1=NC(=NC(C)=C1)C(C)C"}
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{"DTXSID":"DTXSID9020790","Name":"Malaoxon","CAS":"1634-78-2","CompoundName":"TX000800","Fup.point":0.96789,"Base.Fup.Med":0.69566,"Base.Fup.Low":0.47871,"Base.Fup.High":0.95872,"Affinity.Fup.Med":0.54624,"Affinity.Fup.Low":0.46328,"Affinity.Fup.High":0.80045,"Affinity.Kd.Med":1267.155,"Affinity.Kd.Low":908.58095,"Affinity.Kd.High":4222.46225,"Decreases.Prob":1,"Saturates.Prob":1,"Slope.1uM.Median":0.02797,"Slope.10uM.Median":0.00796,"CLint.1uM.Median":55.9331,"CLint.1uM.Low95th":49.66518,"CLint.1uM.High95th":61.029,"CLint.10uM.Median":15.91797,"CLint.10uM.Low95th":6.79812,"CLint.10uM.High95th":21.13501,"CLint.1uM.Point":88.6572,"CLint.10uM.Point":20.69174,"Fit":"Decreasing","SMILES":"CCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCC"}
{"DTXSID":"DTXSID9020792","Name":"Maleic hydrazide","CAS":"123-33-1","CompoundName":"TX000039","Decreases.Prob":0.36856,"Saturates.Prob":0.5036,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":1239.11715,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":1157.00375,"CLint.10uM.Point":0,"Fit":"Bayesian Zero","SMILES":"O=C1NNC(=O)C=C1"}
{"DTXSID":"DTXSID9020827","Name":"Methoxychlor","CAS":"72-43-5","CompoundName":"1444887","Fup.point":0.00451,"Base.Fup.Med":2.29244e-06,"Base.Fup.Low":1.59313e-10,"Base.Fup.High":0.03547,"Affinity.Fup.Med":0.01722,"Affinity.Fup.Low":0.01126,"Affinity.Fup.High":0.0276,"Affinity.Kd.Med":18.4466,"Affinity.Kd.Low":11.98982,"Affinity.Kd.High":29.877,"Decreases.Prob":1,"Saturates.Prob":0.31784,"Slope.1uM.Median":0.00626,"Slope.10uM.Median":0.00562,"CLint.1uM.Median":12.52119,"CLint.1uM.Low95th":4.45332,"CLint.1uM.High95th":21.01841,"CLint.10uM.Median":11.24306,"CLint.10uM.Low95th":2.99431,"CLint.10uM.High95th":20.13642,"CLint.1uM.Point":12.2569,"CLint.10uM.Point":24.26325,"Fit":"Decreasing","SMILES":"COC1=CC=C(C=C1)C(C1=CC=C(OC)C=C1)C(Cl)(Cl)Cl"}
{"DTXSID":"DTXSID9020877","Name":"1-Methylnaphthalene","CAS":"90-12-0","CompoundName":"EV0001998","Decreases.Prob":1,"Saturates.Prob":0.6898,"Slope.1uM.Median":0.22166,"Slope.10uM.Median":0.12605,"CLint.1uM.Median":443.321,"CLint.1uM.Low95th":167.84405,"CLint.1uM.High95th":1263.13305,"CLint.10uM.Median":252.091,"CLint.10uM.Low95th":108.09009,"CLint.10uM.High95th":454.96285,"CLint.1uM.Point":53.12387,"CLint.10uM.Point":52.37351,"Fit":"Decreasing","SMILES":"CC1=C2C=CC=CC2=CC=C1"}
{"DTXSID":"DTXSID9021716","Name":"2,3,4,6-Tetrachlorophenol","CAS":"58-90-2","CompoundName":"BF00175252","Decreases.Prob":0.00098,"Saturates.Prob":0.49842,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":-13.16697,"Fit":"Bayesian Zero","SMILES":"OC1=C(Cl)C(Cl)=C(Cl)C=C1Cl"}
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{"DTXSID":"DTXSID9022310","Name":"Daidzein","CAS":"486-66-8","CompoundName":"TX009744","Fup.point":0.04339,"Base.Fup.Med":0.0786,"Base.Fup.Low":0.0449,"Base.Fup.High":0.18468,"Affinity.Fup.Med":0.06596,"Affinity.Fup.Low":0.05661,"Affinity.Fup.High":0.08041,"Affinity.Kd.Med":74.3354,"Affinity.Kd.Low":63.16938,"Affinity.Kd.High":92.04162,"SMILES":"OC1=CC=C(C=C1)C1=COC2=C(C=CC(O)=C2)C1=O"}
{"DTXSID":"DTXSID9022364","Name":"5alpha-Dihydrotestosterone","CAS":"521-18-6","CompoundName":"BF00022451","Fup.point":0.02551,"Base.Fup.Med":0.00382,"Base.Fup.Low":2.56629e-10,"Base.Fup.High":0.13015,"Affinity.Fup.Med":0.03128,"Affinity.Fup.Low":0.02524,"Affinity.Fup.High":0.04056,"Affinity.Kd.Med":33.9939,"Affinity.Kd.Low":27.25166,"Affinity.Kd.High":44.49834,"Decreases.Prob":1,"Saturates.Prob":0.99054,"Slope.1uM.Median":0.03533,"Slope.10uM.Median":0.01477,"CLint.1uM.Median":70.6532,"CLint.1uM.Low95th":51.69904,"CLint.1uM.High95th":83.3049,"CLint.10uM.Median":29.536,"CLint.10uM.Low95th":20.30318,"CLint.10uM.High95th":34.71183,"CLint.1uM.Point":63.51466,"CLint.10uM.Point":33.69968,"Fit":"Decreasing","SMILES":"CC12CCC3C(CCC4CC(=O)CCC34C)C1CCC2O"}
{"DTXSID":"DTXSID9022445","Name":"Bis(4-hydroxyphenyl)methane","CAS":"620-92-8","CompoundName":"BF00174556","Decreases.Prob":1,"Saturates.Prob":0.63954,"Slope.1uM.Median":0.01273,"Slope.10uM.Median":0.00999,"CLint.1uM.Median":25.4553,"CLint.1uM.Low95th":14.61795,"CLint.1uM.High95th":64.85942,"CLint.10uM.Median":19.98895,"CLint.10uM.Low95th":8.98799,"CLint.10uM.High95th":24.75885,"CLint.1uM.Point":14.84461,"CLint.10uM.Point":23.31534,"Fit":"Decreasing","SMILES":"OC1=CC=C(CC2=CC=C(O)C=C2)C=C1"}
{"DTXSID":"DTXSID9022522","Name":"Diisobutyl phthalate","CAS":"84-69-5","CompoundName":"BF00174535","Fup.point":-0.07637,"Base.Fup.Med":6.756e-06,"Base.Fup.Low":1.71212e-10,"Base.Fup.High":0.23766,"Affinity.Fup.Med":0.0007,"Affinity.Fup.Low":2.54268e-13,"Affinity.Fup.High":0.14074,"Affinity.Kd.Med":0.73944,"Affinity.Kd.Low":2.67651e-10,"Affinity.Kd.High":172.41015,"Decreases.Prob":1,"Saturates.Prob":0.26434,"Slope.1uM.Median":0.17241,"Slope.10uM.Median":0.16459,"CLint.1uM.Median":344.812,"CLint.1uM.Low95th":205.11765,"CLint.1uM.High95th":453.98865,"CLint.10uM.Median":329.18,"CLint.10uM.Low95th":158.98491,"CLint.10uM.High95th":418.422,"CLint.1uM.Point":48.05945,"CLint.10uM.Point":45.15487,"Fit":"Decreasing","SMILES":"CC(C)COC(=O)C1=C(C=CC=C1)C(=O)OCC(C)C"}
{"DTXSID":"DTXSID9022526","Name":"Benzylparaben","CAS":"94-18-8","CompoundName":"EV0002358","Fup.point":0.00317,"Base.Fup.Med":0.00002,"Base.Fup.Low":1.72292e-10,"Base.Fup.High":0.07327,"Affinity.Fup.Med":0.00628,"Affinity.Fup.Low":5.19503e-13,"Affinity.Fup.High":0.01624,"Affinity.Kd.Med":6.65322,"Affinity.Kd.Low":5.46845e-10,"Affinity.Kd.High":17.3767,"Decreases.Prob":1,"Saturates.Prob":0.78502,"Slope.1uM.Median":0.31653,"Slope.10uM.Median":0.15611,"CLint.1uM.Median":633.058,"CLint.1uM.Low95th":234.4679,"CLint.1uM.High95th":1286.5302,"CLint.10uM.Median":312.218,"CLint.10uM.Low95th":149.26358,"CLint.10uM.High95th":379.9561,"CLint.1uM.Point":0,"CLint.10uM.Point":574.07034,"Fit":"Point Est. Zero","SMILES":"OC1=CC=C(C=C1)C(=O)OCC1=CC=CC=C1"}
{"DTXSID":"DTXSID9022817","Name":"Carminic acid","CAS":"1260-17-9","CompoundName":"EV0001452","Fup.point":-0.01401,"Base.Fup.Med":1.5893e-06,"Base.Fup.Low":1.86256e-10,"Base.Fup.High":0.02576,"Affinity.Fup.Med":3.45071e-08,"Affinity.Fup.Low":1.88004e-13,"Affinity.Fup.High":0.00745,"Affinity.Kd.Med":0.00004,"Affinity.Kd.Low":1.97899e-10,"Affinity.Kd.High":7.8992,"Decreases.Prob":0.97854,"Saturates.Prob":0.8165,"Slope.1uM.Median":0.0444,"Slope.10uM.Median":0.00764,"CLint.1uM.Median":88.7944,"CLint.1uM.Low95th":5.18644,"CLint.1uM.High95th":1196.42875,"CLint.10uM.Median":15.27925,"CLint.10uM.Low95th":2.6135,"CLint.10uM.High95th":26.0982,"CLint.10uM.Point":18.01247,"Fit":"Decreasing","SMILES":"CC1=C2C(=O)C3=C(C(O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O)C(=O)C2=CC(O)=C1C(O)=O"}
{"DTXSID":"DTXSID9023380","Name":"Norethindrone","CAS":"68-22-4","CompoundName":"EV0002366","Fup.point":0.04364,"Base.Fup.Med":0.07591,"Base.Fup.Low":0.04339,"Base.Fup.High":0.16395,"Affinity.Fup.Med":0.05143,"Affinity.Fup.Low":0.04274,"Affinity.Fup.High":0.06282,"Affinity.Kd.Med":57.0772,"Affinity.Kd.Low":46.99732,"Affinity.Kd.High":70.55813,"Decreases.Prob":0.48528,"Saturates.Prob":0.57992,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":9.85599,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":6.50258,"CLint.1uM.Point":8.89369,"CLint.10uM.Point":0,"Fit":"Bayesian Zero","SMILES":"CC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C"}
{"DTXSID":"DTXSID9023380","Name":"Norethindrone","CAS":"68-22-4","CompoundName":"TX010307","Fup.point":0.03788,"Base.Fup.Med":0.05599,"Base.Fup.Low":8.60286e-10,"Base.Fup.High":0.14063,"Affinity.Fup.Med":0.054,"Affinity.Fup.Low":0.04576,"Affinity.Fup.High":0.06581,"Affinity.Kd.Med":60.0844,"Affinity.Kd.Low":50.47413,"Affinity.Kd.High":74.15064,"SMILES":"CC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C"}
{"DTXSID":"DTXSID9023881","Name":"Clofentezine","CAS":"74115-24-5","CompoundName":"BF00175264","Decreases.Prob":0.00078,"Saturates.Prob":0.49716,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":-32.49622,"CLint.10uM.Point":8.33335,"Fit":"Bayesian Zero","SMILES":"ClC1=CC=CC=C1C1=NN=C(N=N1)C1=C(Cl)C=CC=C1"}
{"DTXSID":"DTXSID9023889","Name":"Quizalofop-ethyl","CAS":"76578-14-8","CompoundName":"BF00175319","Decreases.Prob":1,"Saturates.Prob":0.19944,"Slope.1uM.Median":0.01766,"Slope.10uM.Median":0.01726,"CLint.1uM.Median":35.3165,"CLint.1uM.Low95th":26.67947,"CLint.1uM.High95th":41.86004,"CLint.10uM.Median":34.5232,"CLint.10uM.Low95th":18.25391,"CLint.10uM.High95th":41.62584,"CLint.1uM.Point":0,"CLint.10uM.Point":33.16484,"Fit":"Point Est. Zero","SMILES":"CCOC(=O)C(C)OC1=CC=C(OC2=CN=C3C=C(Cl)C=CC3=N2)C=C1"}
{"DTXSID":"DTXSID9024015","Name":"4,4'-Dibromodiphenyl ether","CAS":"2050-47-7","CompoundName":"BF00175284","Decreases.Prob":0.65104,"Saturates.Prob":0.72992,"Slope.1uM.Median":0.00622,"Slope.10uM.Median":0.00262,"CLint.1uM.Median":12.43599,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":1084.45015,"CLint.10uM.Median":5.24945,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":12.17525,"CLint.10uM.Point":9.23816,"Fit":"Decreasing","SMILES":"BrC1=CC=C(OC2=CC=C(Br)C=C2)C=C1"}
{"DTXSID":"DTXSID9024065","Name":"1,3-Dinitrobenzene","CAS":"99-65-0","CompoundName":"1444908","Fup.point":0.30266,"Base.Fup.Med":0.33012,"Base.Fup.Low":0.27816,"Base.Fup.High":0.37637,"Affinity.Fup.Med":0.38852,"Affinity.Fup.Low":0.16878,"Affinity.Fup.High":0.97227,"Affinity.Kd.Med":668.822,"Affinity.Kd.Low":213.74435,"Affinity.Kd.High":36912.195,"Decreases.Prob":0.0011,"Saturates.Prob":0.50234,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":0,"CLint.10uM.Point":0,"Fit":"Point Est. Zero","SMILES":"[O-][N+](=O)C1=CC(=CC=C1)[N+]([O-])=O"}
{"DTXSID":"DTXSID9024489","Name":"5-Amino-2-methylphenol","CAS":"2835-95-2","CompoundName":"BF00175517","Fup.point":0.59903,"Base.Fup.Med":0.55669,"Base.Fup.Low":0.44261,"Base.Fup.High":0.7487,"Affinity.Fup.Med":0.55292,"Affinity.Fup.Low":0.4687,"Affinity.Fup.High":0.69768,"Affinity.Kd.Med":1301.84,"Affinity.Kd.Low":928.6019,"Affinity.Kd.High":2429.1915,"Decreases.Prob":0.99996,"Saturates.Prob":0.46116,"Slope.1uM.Median":0.00799,"Slope.10uM.Median":0.00674,"CLint.1uM.Median":15.97907,"CLint.1uM.Low95th":7.42692,"CLint.1uM.High95th":47.73493,"CLint.10uM.Median":13.47257,"CLint.10uM.Low95th":4.00399,"CLint.10uM.High95th":20.83229,"CLint.1uM.Point":16.01655,"CLint.10uM.Point":15.56835,"Fit":"Decreasing","SMILES":"CC1=C(O)C=C(N)C=C1"}
{"DTXSID":"DTXSID9024489","Name":"5-Amino-2-methylphenol","CAS":"2835-95-2","CompoundName":"EV0001874","Fup.point":0.647,"Base.Fup.Med":0.61244,"Base.Fup.Low":0.51663,"Base.Fup.High":0.7295,"Affinity.Fup.Med":0.60435,"Affinity.Fup.Low":0.50867,"Affinity.Fup.High":0.72964,"Affinity.Kd.Med":1607.875,"Affinity.Kd.Low":1089.776,"Affinity.Kd.High":2840.80525,"SMILES":"CC1=C(O)C=C(N)C=C1"}
{"DTXSID":"DTXSID9024930","Name":"3,4-Diaminotoluene","CAS":"496-72-0","CompoundName":"EV0000658","Decreases.Prob":0.99616,"Saturates.Prob":0.46174,"Slope.1uM.Median":0.00414,"Slope.10uM.Median":0.00348,"CLint.1uM.Median":8.27389,"CLint.1uM.Low95th":3.5214,"CLint.1uM.High95th":18.18636,"CLint.10uM.Median":6.95429,"CLint.10uM.Low95th":2.2081,"CLint.10uM.High95th":10.76637,"CLint.1uM.Point":0,"CLint.10uM.Point":8.07272,"Fit":"Point Est. Zero","SMILES":"CC1=CC=C(N)C(N)=C1"}
{"DTXSID":"DTXSID9025536","Name":"2-Mercaptobenzimidazole","CAS":"583-39-1","CompoundName":"EV0001448","Fup.point":0.44961,"Base.Fup.Med":0.44371,"Base.Fup.Low":0.40704,"Base.Fup.High":0.49375,"Affinity.Fup.Med":0.40038,"Affinity.Fup.Low":0.31015,"Affinity.Fup.High":0.50846,"Affinity.Kd.Med":702.8615,"Affinity.Kd.Low":473.2472,"Affinity.Kd.High":1088.87425,"Decreases.Prob":0.00528,"Saturates.Prob":0.50002,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":1.82937,"CLint.10uM.Point":0,"Fit":"Bayesian Zero","SMILES":"S=C1NC2=CC=CC=C2N1"}
{"DTXSID":"DTXSID9026132","Name":"Theobromine","CAS":"83-67-0","CompoundName":"EV0001924","Fup.point":1.04201,"Base.Fup.Med":0.87648,"Base.Fup.Low":0.7001,"Base.Fup.High":0.9943,"Affinity.Fup.Med":0.95282,"Affinity.Fup.Low":0.7776,"Affinity.Fup.High":0.9885,"Affinity.Kd.Med":21259.7,"Affinity.Kd.Low":3680.502,"Affinity.Kd.High":90439.975,"Decreases.Prob":1,"Saturates.Prob":0.99182,"Slope.1uM.Median":0.19805,"Slope.10uM.Median":0.00251,"CLint.1uM.Median":396.096,"CLint.1uM.Low95th":15.60572,"CLint.1uM.High95th":1253.9505,"CLint.10uM.Median":5.01695,"CLint.10uM.Low95th":0.50293,"CLint.10uM.High95th":11.48054,"CLint.1uM.Point":0,"CLint.10uM.Point":0,"Fit":"Point Est. Zero","SMILES":"CN1C=NC2=C1C(=O)NC(=O)N2C"}
{"DTXSID":"DTXSID9026689","Name":"N,N,N',N'-Tetrakis(2-Hydroxypropyl)ethylenediamine","CAS":"102-60-3","CompoundName":"EV0001866","Decreases.Prob":0.00398,"Saturates.Prob":0.50176,"Slope.1uM.Median":0,"Slope.10uM.Median":0,"CLint.1uM.Median":0,"CLint.1uM.Low95th":0,"CLint.1uM.High95th":0,"CLint.10uM.Median":0,"CLint.10uM.Low95th":0,"CLint.10uM.High95th":0,"CLint.1uM.Point":0,"CLint.10uM.Point":0,"Fit":"Point Est. Zero","SMILES":"CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O"}
{"DTXSID":"DTXSID9027441","Name":"Octabenzone","CAS":"1843-05-6","CompoundName":"BF00174546","Fup.point":0,"Base.Fup.Med":1.27358e-06,"Base.Fup.Low":1.75601e-10,"Base.Fup.High":0.01994,"Affinity.Fup.Med":1.90765e-08,"Affinity.Fup.Low":1.89248e-13,"Affinity.Fup.High":0.00114,"Affinity.Kd.Med":0.00002,"Affinity.Kd.Low":1.99209e-10,"Affinity.Kd.High":1.19671,"Decreases.Prob":0.98818,"Saturates.Prob":0.40544,"Slope.1uM.Median":0.40329,"Slope.10uM.Median":0.3143,"CLint.1uM.Median":806.58,"CLint.1uM.Low95th":123.70847,"CLint.1uM.High95th":1306.4222,"CLint.10uM.Median":628.61,"CLint.10uM.Low95th":73.68826,"CLint.10uM.High95th":1286.22245,"CLint.1uM.Point":0,"CLint.10uM.Point":0,"Fit":"Point Est. Zero","SMILES":"CCCCCCCCOC1=CC(O)=C(C=C1)C(=O)C1=CC=CC=C1"}
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