{"Compound":"(-)-Epigallocatechin gallate","CAS":"989-51-5","Human.Clint":135.226,"Human.Clint.pValue":0,"pKa_Accept":"","pKa_Donor":"7.99,8.72,9.29","DSSTox_Substance_Id":"DTXSID1029889","SMILES":"OC1=CC2=C(CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O2)C2=CC(O)=C(O)C(O)=C2)C(O)=C1","Human.Clint.Low95":10.83756,"Human.Clint.High95":1241.8954,"MW":458.08491,"logP":2.268}
{"Compound":"(6)-Gingerol","CAS":"23513-14-6","Human.Clint":146.4166,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.14096,"pKa_Accept":"","pKa_Donor":"9.95","DSSTox_Substance_Id":"DTXSID3041035","SMILES":"CCCCCC(O)CC(=O)CCC1=CC(OC)=C(O)C=C1","Human.Clint.Low95":41.85595,"Human.Clint.High95":235.68465,"Human.Clint.Point":58.06629,"Human.Funbound.plasma.Low95":0.08509,"Human.Funbound.plasma.High95":0.24915,"Human.Funbound.plasma.Point":0.11697,"MW":294.18311,"logP":2.501}
{"Compound":"1-(Hydroxymethyl)-5,5-dimethylhydantoin","CAS":"116-25-6","Human.Clint":13.12872,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.92158,"pKa_Accept":"","pKa_Donor":"10.11,14.14","DSSTox_Substance_Id":"DTXSID6035152","SMILES":"CC1(C)N(CO)C(=O)NC1=O","Human.Clint.Low95":5.56253,"Human.Clint.High95":20.88341,"Human.Clint.Point":15.32052,"Human.Funbound.plasma.Low95":1.38096e-09,"Human.Funbound.plasma.High95":0.98839,"Human.Funbound.plasma.Point":0.18589,"MW":158.06914,"logP":-0.153}
{"Compound":"1-Benzylquinolinium chloride","CAS":"15619-48-4","Human.Clint":7.3091,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.59715,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID8044593","SMILES":"C(C1=CC=CC=C1)[N+]1=C2C=CC=CC2=CC=C1","Human.Clint.Low95":2.52173,"Human.Clint.High95":11.95315,"Human.Clint.Point":34.65767,"Human.Funbound.plasma.Low95":0.5056,"Human.Funbound.plasma.High95":0.74161,"Human.Funbound.plasma.Point":0.69961,"MW":220.11262,"logP":3.985}
{"Compound":"1-Chloro-4-nitrobenzene","CAS":"100-00-5","Human.Clint":399.577,"Human.Clint.pValue":0,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID5020281","SMILES":"[O-][N+](=O)C1=CC=C(Cl)C=C1","Human.Clint.Low95":17.89253,"Human.Clint.High95":1255.9893,"Human.Clint.Point":0,"MW":156.99306,"logP":2.585}
{"Compound":"1-Dodecyl-2-pyrrolidinone","CAS":"2687-96-9","Human.Clint":19.09105,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.01056,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID4042206","SMILES":"CCCCCCCCCCCCN1CCCC1=O","Human.Clint.Low95":11.28186,"Human.Clint.High95":25.21546,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.00833,"Human.Funbound.plasma.High95":0.01205,"Human.Funbound.plasma.Point":0.00088,"MW":253.24056,"logP":4.76}
{"Compound":"1-Hydroxypyrene","CAS":"5315-79-7","Human.Funbound.plasma":0.00001,"pKa_Accept":"","pKa_Donor":"9.50","DSSTox_Substance_Id":"DTXSID1038298","SMILES":"OC1=C2C=CC3=CC=CC4=CC=C(C=C1)C2=C34","Human.Funbound.plasma.Low95":2.30027e-13,"Human.Funbound.plasma.High95":0.98106,"Human.Funbound.plasma.Point":0.70351,"MW":218.07316,"logP":3.915}
{"Compound":"1-Methylnaphthalene","CAS":"90-12-0","Human.Clint":443.321,"Human.Clint.pValue":0,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID9020877","SMILES":"CC1=C2C=CC=CC2=CC=C1","Human.Clint.Low95":167.84405,"Human.Clint.High95":1263.13305,"Human.Clint.Point":53.12387,"MW":142.07825,"logP":2.849}
{"Compound":"1-Naphthol","CAS":"90-15-3","Human.Clint":0,"Human.Clint.pValue":0.92442,"Human.Funbound.plasma":0.06813,"pKa_Accept":"","pKa_Donor":"9.60","DSSTox_Substance_Id":"DTXSID6021793","SMILES":"OC1=CC=CC2=CC=CC=C12","Human.Clint.Low95":0,"Human.Clint.High95":3.13932,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.05091,"Human.Funbound.plasma.High95":0.09071,"Human.Funbound.plasma.Point":0.03759,"MW":144.05751,"logP":2.504}
{"Compound":"1-Octanol","CAS":"111-87-5","Human.Funbound.plasma":0.6429,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID7021940","SMILES":"CCCCCCCCO","Human.Funbound.plasma.Low95":0.3012,"Human.Funbound.plasma.High95":0.98541,"Human.Funbound.plasma.Point":0.61367,"MW":130.13577,"logP":2.99}
{"Compound":"1,2-Dimethyl-3-nitrobenzene","CAS":"83-41-0","Human.Clint":522.844,"Human.Clint.pValue":0,"Human.Funbound.plasma":4.98159e-08,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID7025132","SMILES":"CC1=CC=CC(=C1C)[N+]([O-])=O","Human.Clint.Low95":103.73379,"Human.Clint.High95":1273.10445,"Human.Funbound.plasma.Low95":1.53667e-13,"Human.Funbound.plasma.High95":0.00611,"Human.Funbound.plasma.Point":0,"MW":151.06333,"logP":2.842}
{"Compound":"1,2-Dimethyl-4-nitrobenzene","CAS":"99-51-4","Human.Clint":454.499,"Human.Clint.pValue":0,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID2025133","SMILES":"CC1=CC=C(C=C1C)[N+]([O-])=O","Human.Clint.Low95":54.47566,"Human.Clint.High95":1263.62275,"MW":151.06333,"logP":2.325}
{"Compound":"1,2-Diphenylhydrazine","CAS":"122-66-7","Human.Clint":19.00467,"Human.Clint.pValue":0,"Human.Funbound.plasma":3.27077e-06,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID7020710","SMILES":"N(NC1=CC=CC=C1)C1=CC=CC=C1","Human.Clint.Low95":10.16238,"Human.Clint.High95":24.10462,"Human.Clint.Point":23.69684,"Human.Funbound.plasma.Low95":2.11483e-13,"Human.Funbound.plasma.High95":0.96991,"Human.Funbound.plasma.Point":-0.23063,"MW":184.10005,"logP":3.115}
{"Compound":"1,2,3-Benzotriazole","CAS":"95-14-7","Human.Clint":0,"Human.Clint.pValue":0.99986,"Human.Funbound.plasma":0.28909,"pKa_Accept":"0.56","pKa_Donor":"8.63","DSSTox_Substance_Id":"DTXSID6020147","SMILES":"N1N=NC2=C1C=CC=C2","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.18765,"Human.Funbound.plasma.High95":0.43401,"Human.Funbound.plasma.Point":0.30094,"MW":119.04835,"logP":1.17}
{"Compound":"1,2,3,4-Tetrachlorobenzene","CAS":"634-66-2","Human.Clint":32.3808,"Human.Clint.pValue":0,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID6026088","SMILES":"ClC1=C(Cl)C(Cl)=C(Cl)C=C1","Human.Clint.Low95":22.15114,"Human.Clint.High95":72.04044,"Human.Clint.Point":0,"MW":213.89106,"logP":3.129}
{"Compound":"1,2,3,4,5,6-Hexachlorocyclohexane","CAS":"608-73-1","Human.Clint":0,"Human.Clint.pValue":0.81114,"Human.Funbound.plasma":0.01717,"DSSTox_Substance_Id":"DTXSID7020687","SMILES":"ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","Human.Clint.Low95":0,"Human.Clint.High95":11.3074,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.01069,"Human.Funbound.plasma.High95":0.03426,"Human.Funbound.plasma.Point":0.00821,"MW":287.86007,"logP":3.627}
{"Compound":"1,2,4-Trichlorobenzene","CAS":"120-82-1","Human.Funbound.plasma":4.95232e-07,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID0021965","SMILES":"ClC1=CC(Cl)=C(Cl)C=C1","Human.Funbound.plasma.Low95":1.90434e-13,"Human.Funbound.plasma.High95":0.95257,"Human.Funbound.plasma.Point":0.07686,"MW":179.93003,"logP":2.937}
{"Compound":"1,3-Benzenediamine","CAS":"108-45-2","Human.Clint":0,"Human.Clint.pValue":0.9731,"pKa_Accept":"5.48,2.73","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID4021137","SMILES":"NC1=CC(N)=CC=C1","Human.Clint.Low95":0,"Human.Clint.High95":3.11106,"Human.Clint.Point":14.43595,"MW":108.06875,"logP":0.033}
{"Compound":"1,3-Dichlorobenzene","CAS":"541-73-1","Human.Clint":199.7306,"Human.Clint.pValue":0,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID6022056","SMILES":"ClC1=CC(Cl)=CC=C1","Human.Clint.Low95":55.58495,"Human.Clint.High95":1212.91015,"Human.Clint.Point":41.9053,"MW":145.96901,"logP":2.801}
{"Compound":"1,3-Dinitrobenzene","CAS":"99-65-0","Human.Clint":0,"Human.Clint.pValue":0.9989,"Human.Funbound.plasma":0.38852,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID9024065","SMILES":"[O-][N+](=O)C1=CC(=CC=C1)[N+]([O-])=O","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.16878,"Human.Funbound.plasma.High95":0.97227,"Human.Funbound.plasma.Point":0.30266,"MW":168.01711,"logP":1.765}
{"Compound":"1,3,5-Tribromobenzene","CAS":"626-39-1","Human.Clint":0,"Human.Clint.pValue":0.99696,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID3052307","SMILES":"BrC1=CC(Br)=CC(Br)=C1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"MW":311.77849,"logP":2.631}
{"Compound":"1,4-Bis(N-isopropylamino)anthraquinone","CAS":"14233-37-5","Human.Clint":0,"Human.Clint.pValue":0.99938,"Human.Funbound.plasma":0.00696,"pKa_Accept":"4.71,1.81","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID2041250","SMILES":"CC(C)NC1=CC=C(NC(C)C)C2=C1C(=O)C1=CC=CC=C1C2=O","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.00597,"Human.Funbound.plasma.High95":0.00875,"Human.Funbound.plasma.Point":0.00016,"MW":322.16813,"logP":2.991}
{"Compound":"1,4-Dichlorobenzene","CAS":"106-46-7","Human.Clint":130.499,"Human.Clint.pValue":0,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID1020431","SMILES":"ClC1=CC=C(Cl)C=C1","Human.Clint.Low95":38.50221,"Human.Clint.High95":1217.0821,"Human.Clint.Point":0,"MW":145.96901,"logP":2.804}
{"Compound":"17-Methyltestosterone","CAS":"58-18-4","Human.Clint":12.73728,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.03322,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID1033664","SMILES":"CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C","Human.Clint.Low95":4.46872,"Human.Clint.High95":18.59396,"Human.Clint.Point":18.95874,"Human.Funbound.plasma.Low95":0.02774,"Human.Funbound.plasma.High95":0.04173,"Human.Funbound.plasma.Point":0.02233,"MW":302.22458,"logP":3.469}
{"Compound":"17alpha-Estradiol","CAS":"57-91-0","Human.Clint":55.644,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.00015,"DSSTox_Substance_Id":"DTXSID8022377","SMILES":"CC12CCC3C(CCC4=C3C=CC(O)=C4)C1CCC2O","Human.Clint.Low95":15.54931,"Human.Clint.High95":106.64855,"Human.Clint.Point":32.65289,"Human.Funbound.plasma.Low95":3.13943e-13,"Human.Funbound.plasma.High95":0.24996,"Human.Funbound.plasma.Point":0.13962,"MW":272.17763,"logP":3.146}
{"Compound":"17alpha-Ethinylestradiol","CAS":"57-63-6","Human.Clint":0,"Human.Clint.pValue":0.92994,"pKa_Accept":"","pKa_Donor":"10.33","DSSTox_Substance_Id":"DTXSID5020576","SMILES":"CC12CCC3C(CCC4=C3C=CC(O)=C4)C1CCC2(O)C#C","Human.Clint.Low95":0,"Human.Clint.High95":7.51917,"Human.Clint.Point":7.80904,"MW":296.17763,"logP":3.441}
{"Compound":"17alpha-Hydroxyprogesterone","CAS":"68-96-2","Human.Funbound.plasma":0.08321,"pKa_Accept":"","pKa_Donor":"12.70","DSSTox_Substance_Id":"DTXSID6040747","SMILES":"CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C","Human.Funbound.plasma.Low95":0.07225,"Human.Funbound.plasma.High95":0.09916,"Human.Funbound.plasma.Point":0.06488,"MW":330.21949,"logP":3.077}
{"Compound":"17beta-Estradiol","CAS":"50-28-2","Human.Clint":56.8819,"Human.Clint.pValue":0,"Human.Funbound.plasma":4.94937e-06,"pKa_Accept":"","pKa_Donor":"10.33","DSSTox_Substance_Id":"DTXSID0020573","SMILES":"CC12CCC3C(CCC4=C3C=CC(O)=C4)C1CCC2O","Human.Clint.Low95":22.7767,"Human.Clint.High95":77.67784,"Human.Clint.Point":47.54581,"Human.Funbound.plasma.Low95":2.8468e-13,"Human.Funbound.plasma.High95":0.0391,"Human.Funbound.plasma.Point":0.00975,"MW":272.17763,"logP":3.146}
{"Compound":"17beta-Trenbolone","CAS":"10161-33-8","Human.Clint":37.3756,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.10026,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID0034192","SMILES":"CC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2O","Human.Clint.Low95":30.08409,"Human.Clint.High95":41.64302,"Human.Clint.Point":39.49548,"Human.Funbound.plasma.Low95":0.08537,"Human.Funbound.plasma.High95":0.11982,"Human.Funbound.plasma.Point":0.05279,"MW":270.16198,"logP":3.136}
{"Compound":"2',3'-Dideoxyinosine","CAS":"69655-05-6","Human.Clint":0,"Human.Clint.pValue":0.99942,"Human.Funbound.plasma":0.95036,"pKa_Accept":"0.63","pKa_Donor":"8.93,14.67","DSSTox_Substance_Id":"DTXSID6022927","SMILES":"OCC1CCC(O1)N1C=NC2=C1N=CNC2=O","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.69646,"Human.Funbound.plasma.High95":0.98878,"Human.Funbound.plasma.Point":1.58362,"MW":236.09094,"logP":-0.962}
{"Compound":"2',4',5',7'-Tetrabromofluorescein","CAS":"15086-94-9","Human.Clint":0,"Human.Clint.pValue":0.97638,"Human.Funbound.plasma":0.00293,"pKa_Accept":"","pKa_Donor":"6.00,6.61","DSSTox_Substance_Id":"DTXSID3044590","SMILES":"OC1=C(Br)C2=C(C=C1Br)C1(OC(=O)C3=CC=CC=C13)C1=CC(Br)=C(O)C(Br)=C1O2","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0.98157,"Human.Funbound.plasma.Low95":0.00112,"Human.Funbound.plasma.High95":0.00589,"Human.Funbound.plasma.Point":-0.00001,"MW":643.71052,"logP":5.861}
{"Compound":"2-(2H-Benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)phenol","CAS":"70321-86-7","Human.Funbound.plasma":5.81826e-06,"pKa_Accept":"","pKa_Donor":"9.83","DSSTox_Substance_Id":"DTXSID2028985","SMILES":"CC(C)(C1=CC=CC=C1)C1=CC(N2N=C3C=CC=CC3=N2)=C(O)C(=C1)C(C)(C)C1=CC=CC=C1","Human.Funbound.plasma.Low95":2.8348e-13,"Human.Funbound.plasma.High95":0.97234,"Human.Funbound.plasma.Point":-0.4,"MW":447.23106,"logP":5.576}
{"Compound":"2-(4-Hydroxybenzyl)phenol","CAS":"2467-03-0","Human.Clint":56.8097,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.0426,"pKa_Accept":"","pKa_Donor":"9.80,10.44","DSSTox_Substance_Id":"DTXSID2044890","SMILES":"OC1=CC=C(CC2=C(O)C=CC=C2)C=C1","Human.Clint.Low95":31.63076,"Human.Clint.High95":101.5476,"Human.Clint.Point":67.09876,"Human.Funbound.plasma.Low95":0.02772,"Human.Funbound.plasma.High95":0.06687,"Human.Funbound.plasma.Point":0.0071,"MW":200.08373,"logP":2.221}
{"Compound":"2-(Thiocyanomethylthio)benzothiazole","CAS":"21564-17-0","Human.Clint":29.6469,"Human.Clint.pValue":0.346,"Human.Funbound.plasma":0.32534,"pKa_Accept":"1.02","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID6032647","SMILES":"N#CSCSC1=NC2=CC=CC=C2S1","Human.Clint.Low95":0,"Human.Clint.High95":1111.4444,"Human.Funbound.plasma.Low95":0.18614,"Human.Funbound.plasma.High95":0.43971,"Human.Funbound.plasma.Point":0.33488,"MW":237.96931,"logP":2.615}
{"Compound":"2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoic acid","CAS":"5809-23-4","Human.Clint":2.00406,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.0049,"pKa_Accept":"3.09","pKa_Donor":"3.72,7.32","DSSTox_Substance_Id":"DTXSID4027604","SMILES":"CCN(CC)C1=CC(O)=C(C=C1)C(=O)C1=C(C=CC=C1)C(O)=O","Human.Clint.Low95":1.1083,"Human.Clint.High95":3.05021,"Human.Clint.Point":2.92638,"Human.Funbound.plasma.Low95":0.0034,"Human.Funbound.plasma.High95":0.00932,"Human.Funbound.plasma.Point":0.00202,"MW":313.13141,"logP":3.383}
{"Compound":"2-Amino-5-azotoluene","CAS":"97-56-3","Human.Clint":6.88506,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.00744,"pKa_Accept":"2.99,0.50","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID1020069","SMILES":"CC1=C(N)C=CC(=C1)N=NC1=C(C)C=CC=C1","Human.Clint.Low95":3.45098,"Human.Clint.High95":11.41749,"Human.Clint.Point":10.43757,"Human.Funbound.plasma.Low95":0.0026,"Human.Funbound.plasma.High95":0.02497,"Human.Funbound.plasma.Point":0.00026,"MW":225.1266,"logP":2.601}
{"Compound":"2-Aminoanthraquinone","CAS":"117-79-3","Human.Clint":30.8217,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.02964,"pKa_Accept":"2.04","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID6020068","SMILES":"NC1=CC=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C1","Human.Clint.Low95":21.8772,"Human.Clint.High95":35.03302,"Human.Clint.Point":34.3133,"Human.Funbound.plasma.Low95":0.02462,"Human.Funbound.plasma.High95":0.04171,"Human.Funbound.plasma.Point":0.02168,"MW":223.06333,"logP":2.844}
{"Compound":"2-Chloro-4-phenylphenol","CAS":"92-04-6","Human.Clint":49.1606,"Human.Clint.pValue":0.48112,"Human.Funbound.plasma":1.00208e-08,"pKa_Accept":"","pKa_Donor":"8.83","DSSTox_Substance_Id":"DTXSID0022353","SMILES":"OC1=CC(Cl)=C(C=C1)C1=CC=CC=C1","Human.Clint.Low95":0,"Human.Clint.High95":1264.32535,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":1.71605e-13,"Human.Funbound.plasma.High95":0.00154,"Human.Funbound.plasma.Point":-0.00696,"MW":204.03419,"logP":3.452}
{"Compound":"2-Chloro-N-phenylacetamide","CAS":"587-65-5","Human.Clint":38.9195,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.40044,"pKa_Accept":"","pKa_Donor":"13.48","DSSTox_Substance_Id":"DTXSID3041409","SMILES":"ClCC(=O)NC1=CC=CC=C1","Human.Clint.Low95":30.83547,"Human.Clint.High95":50.45541,"Human.Clint.Point":49.24452,"Human.Funbound.plasma.Low95":0.35638,"Human.Funbound.plasma.High95":0.44049,"Human.Funbound.plasma.Point":0.42799,"MW":169.02944,"logP":1.499}
{"Compound":"2-Ethyl-3-hydroxy-4H-pyran-4-one","CAS":"4940-11-8","Human.Clint":80.9532,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.62501,"pKa_Accept":"","pKa_Donor":"7.00","DSSTox_Substance_Id":"DTXSID5041516","SMILES":"CCC1OC=CC(=O)C1=O","Human.Clint.Low95":66.09539,"Human.Clint.High95":104.77889,"Human.Clint.Point":66.80695,"Human.Funbound.plasma.Low95":0.34723,"Human.Funbound.plasma.High95":0.98294,"Human.Funbound.plasma.Point":0.66667,"MW":140.04734,"logP":-0.222}
{"Compound":"2-Ethylhexyl 4-(dimethylamino)benzoate","CAS":"21245-02-3","Human.Funbound.plasma":1.63282e-08,"pKa_Accept":"2.90","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID7029320","SMILES":"CCCCC(CC)COC(=O)C1=CC=C(C=C1)N(C)C","Human.Funbound.plasma.Low95":1.59851e-13,"Human.Funbound.plasma.High95":0.00221,"Human.Funbound.plasma.Point":0.00005,"MW":277.20418,"logP":3.11}
{"Compound":"2-Hydroxy-4-methoxybenzophenone","CAS":"131-57-7","Human.Clint":15.73834,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.00914,"pKa_Accept":"","pKa_Donor":"7.07","DSSTox_Substance_Id":"DTXSID3022405","SMILES":"COC1=CC=C(C(=O)C2=CC=CC=C2)C(O)=C1","Human.Clint.Low95":8.99951,"Human.Clint.High95":22.05602,"Human.Clint.Point":41.29689,"Human.Funbound.plasma.Low95":0.00453,"Human.Funbound.plasma.High95":0.03511,"Human.Funbound.plasma.Point":0.00252,"MW":228.07864,"logP":2.624}
{"Compound":"2-Mercaptobenzimidazole","CAS":"583-39-1","Human.Clint":0,"Human.Clint.pValue":0.99472,"Human.Funbound.plasma":0.40038,"pKa_Accept":"","pKa_Donor":"8.16,8.94","DSSTox_Substance_Id":"DTXSID9025536","SMILES":"S=C1NC2=CC=CC=C2N1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":1.82937,"Human.Funbound.plasma.Low95":0.31015,"Human.Funbound.plasma.High95":0.50846,"Human.Funbound.plasma.Point":0.44961,"MW":150.02517,"logP":0.974}
{"Compound":"2-Mercaptobenzothiazole","CAS":"149-30-4","Human.Clint":37.2559,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.04092,"pKa_Accept":"1.26","pKa_Donor":"7.46","DSSTox_Substance_Id":"DTXSID1020807","SMILES":"SC1=NC2=C(S1)C=CC=C2","Human.Clint.Low95":14.14384,"Human.Clint.High95":60.11081,"Human.Clint.Point":26.01353,"Human.Funbound.plasma.Low95":0.02704,"Human.Funbound.plasma.High95":0.06871,"Human.Funbound.plasma.Point":0.02495,"MW":166.98634,"logP":2.162}
{"Compound":"2-Methoxy-4-propylphenol","CAS":"2785-87-7","Human.Clint":24.6313,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.07093,"pKa_Accept":"","pKa_Donor":"10.29","DSSTox_Substance_Id":"DTXSID2047199","SMILES":"CCCC1=CC(OC)=C(O)C=C1","Human.Clint.Low95":6.792,"Human.Clint.High95":79.31548,"Human.Clint.Point":79.69239,"Human.Funbound.plasma.Low95":0.0658,"Human.Funbound.plasma.High95":0.07943,"Human.Funbound.plasma.Point":0.06223,"MW":166.09938,"logP":2.073}
{"Compound":"2-Methoxyphenol","CAS":"90-05-1","Human.Clint":44.8523,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.5681,"pKa_Accept":"","pKa_Donor":"9.98","DSSTox_Substance_Id":"DTXSID0023113","SMILES":"COC1=C(O)C=CC=C1","Human.Clint.Low95":22.73316,"Human.Clint.High95":65.27202,"Human.Clint.Point":53.86384,"Human.Funbound.plasma.Low95":0.50571,"Human.Funbound.plasma.High95":0.64016,"Human.Funbound.plasma.Point":0.611,"MW":124.05243,"logP":1.336}
{"Compound":"2-Methyl-5-nitroaniline","CAS":"99-55-8","Human.Clint":22.4251,"Human.Clint.pValue":0,"pKa_Accept":"1.73","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID4020959","SMILES":"CC1=C(N)C=C(C=C1)[N+]([O-])=O","Human.Clint.Low95":10.64705,"Human.Clint.High95":31.7288,"Human.Clint.Point":31.77865,"MW":152.05858,"logP":1.071}
{"Compound":"2-Methylaniline","CAS":"95-53-4","Human.Clint":0,"Human.Clint.pValue":0.99398,"Human.Funbound.plasma":0.71324,"pKa_Accept":"4.48","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID1026164","SMILES":"CC1=C(N)C=CC=C1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":2.73958,"Human.Funbound.plasma.Low95":0.35511,"Human.Funbound.plasma.High95":0.98699,"Human.Funbound.plasma.Point":0.92597,"MW":107.0735,"logP":1.414}
{"Compound":"2-Naphthalenol","CAS":"135-19-3","Human.Funbound.plasma":1.37689e-06,"pKa_Accept":"","pKa_Donor":"9.78","DSSTox_Substance_Id":"DTXSID5027061","SMILES":"OC1=CC2=C(C=CC=C2)C=C1","Human.Funbound.plasma.Low95":2.16843e-13,"Human.Funbound.plasma.High95":0.95912,"Human.Funbound.plasma.Point":0.00524,"MW":144.05751,"logP":2.558}
{"Compound":"2-tert-Butyl-4-ethylphenol","CAS":"96-70-8","Human.Clint":101.9869,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.04534,"pKa_Accept":"","pKa_Donor":"10.94","DSSTox_Substance_Id":"DTXSID4044581","SMILES":"CCC1=CC(=C(O)C=C1)C(C)(C)C","Human.Clint.Low95":42.71099,"Human.Clint.High95":185.5263,"Human.Clint.Point":32.2863,"Human.Funbound.plasma.Low95":0.0234,"Human.Funbound.plasma.High95":0.08488,"Human.Funbound.plasma.Point":0.00387,"MW":178.13577,"logP":3.99}
{"Compound":"2-tert-Butyl-4-methylphenol","CAS":"2409-55-4","Human.Clint":20.9184,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.0274,"pKa_Accept":"","pKa_Donor":"10.98","DSSTox_Substance_Id":"DTXSID2020212","SMILES":"CC1=CC(=C(O)C=C1)C(C)(C)C","Human.Clint.Low95":12.67672,"Human.Clint.High95":37.89423,"Human.Clint.Point":16.22744,"Human.Funbound.plasma.Low95":0.01722,"Human.Funbound.plasma.High95":0.04488,"Human.Funbound.plasma.Point":0.00802,"MW":164.12012,"logP":3.351}
{"Compound":"2-tert-Butyl-5-methylphenol","CAS":"88-60-8","Human.Clint":36.0428,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.02705,"pKa_Accept":"","pKa_Donor":"10.73","DSSTox_Substance_Id":"DTXSID2026529","SMILES":"CC1=CC(O)=C(C=C1)C(C)(C)C","Human.Clint.Low95":24.973,"Human.Clint.High95":51.07577,"Human.Clint.Point":35.34671,"Human.Funbound.plasma.Low95":0.01299,"Human.Funbound.plasma.High95":0.04884,"Human.Funbound.plasma.Point":0.00824,"MW":164.12012,"logP":3.351}
{"Compound":"2-tert-Butylphenol","CAS":"88-18-6","Human.Clint":59.7032,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.00013,"pKa_Accept":"","pKa_Donor":"10.64","DSSTox_Substance_Id":"DTXSID2026525","SMILES":"CC(C)(C)C1=C(O)C=CC=C1","Human.Clint.Low95":42.45336,"Human.Clint.High95":97.80377,"Human.Clint.Point":55.08969,"Human.Funbound.plasma.Low95":2.60361e-13,"Human.Funbound.plasma.High95":0.03314,"Human.Funbound.plasma.Point":0.05298,"MW":150.10447,"logP":3.34}
{"Compound":"2,2'-Methylenebis(4-methyl-6-tert-butylphenol)","CAS":"119-47-1","Human.Clint":22.3816,"Human.Clint.pValue":0,"Human.Funbound.plasma":2.79857e-08,"pKa_Accept":"","pKa_Donor":"9.21,11.07","DSSTox_Substance_Id":"DTXSID4020870","SMILES":"CC1=CC(CC2=CC(C)=CC(=C2O)C(C)(C)C)=C(O)C(=C1)C(C)(C)C","Human.Clint.Low95":9.64517,"Human.Clint.High95":37.17363,"Human.Clint.Point":36.20751,"Human.Funbound.plasma.Low95":1.79043e-13,"Human.Funbound.plasma.High95":0.00199,"Human.Funbound.plasma.Point":-0.00002,"MW":340.24023,"logP":5.895}
{"Compound":"2,2'-Methylenebis(ethyl-6-tert-butylphenol)","CAS":"88-24-4","Human.Clint":0,"Human.Clint.pValue":0.99518,"Human.Funbound.plasma":0.00248,"pKa_Accept":"","pKa_Donor":"9.18,11.03","DSSTox_Substance_Id":"DTXSID7038864","SMILES":"CCC1=CC(CC2=C(O)C(=CC(CC)=C2)C(C)(C)C)=C(O)C(=C1)C(C)(C)C","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.00093,"Human.Funbound.plasma.High95":0.01263,"Human.Funbound.plasma.Point":0,"MW":368.27153,"logP":6.702}
{"Compound":"2,2',4,4'-Tetrahydroxybenzophenone","CAS":"131-55-5","Human.Clint":19.2345,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.03389,"pKa_Accept":"","pKa_Donor":"6.75,7.38,8.45","DSSTox_Substance_Id":"DTXSID5041306","SMILES":"OC1=CC(O)=C(C=C1)C(=O)C1=CC=C(O)C=C1O","Human.Clint.Low95":6.90619,"Human.Clint.High95":31.46101,"Human.Clint.Point":58.26848,"Human.Funbound.plasma.Low95":0.02708,"Human.Funbound.plasma.High95":0.04463,"Human.Funbound.plasma.Point":0.02346,"MW":246.05282,"logP":1.988}
{"Compound":"2,2',6,6'-Tetrachlorobisphenol A","CAS":"79-95-8","Human.Clint":18.66809,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.01215,"pKa_Accept":"","pKa_Donor":"6.27,6.88","DSSTox_Substance_Id":"DTXSID3021770","SMILES":"CC(C)(C1=CC(Cl)=C(O)C(Cl)=C1)C1=CC(Cl)=C(O)C(Cl)=C1","Human.Clint.Low95":13.47358,"Human.Clint.High95":23.9068,"Human.Clint.Point":17.71552,"Human.Funbound.plasma.Low95":0.01202,"Human.Funbound.plasma.High95":0.01227,"Human.Funbound.plasma.Point":0.00002,"MW":363.95914,"logP":4.658}
{"Compound":"2,2,4-Trimethyl-1,3-pentanediol diisobutyrate","CAS":"6846-50-0","Human.Clint":9.95239,"Human.Clint.pValue":0,"Human.Funbound.plasma":9.68309e-07,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID1027635","SMILES":"CC(C)C(OC(=O)C(C)C)C(C)(C)COC(=O)C(C)C","Human.Clint.Low95":3.3154,"Human.Clint.High95":17.95004,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":2.25579e-13,"Human.Funbound.plasma.High95":0.32389,"Human.Funbound.plasma.Point":0.16481,"MW":286.21441,"logP":4.767}
{"Compound":"2,3-Dihydro-2,2-dimethyl-7-benzofuranol","CAS":"1563-38-8","Human.Clint":0,"Human.Clint.pValue":0.99864,"Human.Funbound.plasma":0.36379,"pKa_Accept":"","pKa_Donor":"10.00","DSSTox_Substance_Id":"DTXSID2027414","SMILES":"CC1(C)CC2=C(O1)C(O)=CC=C2","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.33711,"Human.Funbound.plasma.High95":0.39115,"Human.Funbound.plasma.Point":0.35546,"MW":164.08373,"logP":1.975}
{"Compound":"2,3-Dimethylphenol","CAS":"526-75-0","Human.Clint":40.7189,"Human.Clint.pValue":0,"pKa_Accept":"","pKa_Donor":"10.48","DSSTox_Substance_Id":"DTXSID6025143","SMILES":"CC1=C(C)C(O)=CC=C1","Human.Clint.Low95":21.32599,"Human.Clint.High95":77.92459,"Human.Clint.Point":80.44928,"MW":122.07316,"logP":2.341}
{"Compound":"2,3-Dinitrotoluene","CAS":"602-01-7","Human.Funbound.plasma":0.33713,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID4027236","SMILES":"CC1=CC=CC(=C1[N+]([O-])=O)[N+]([O-])=O","Human.Funbound.plasma.Low95":0.17714,"Human.Funbound.plasma.High95":0.66091,"Human.Funbound.plasma.Point":0.36136,"MW":182.03276,"logP":1.932}
{"Compound":"2,3,4-Trihydroxbenzophenone","CAS":"1143-72-2","Human.Clint":94.139,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.01816,"pKa_Accept":"","pKa_Donor":"7.32,8.90,12.99","DSSTox_Substance_Id":"DTXSID6037728","SMILES":"OC1=CC=C(C(=O)C2=CC=CC=C2)C(O)=C1O","Human.Clint.Low95":45.17757,"Human.Clint.High95":123.14842,"Human.Clint.Point":107.61552,"Human.Funbound.plasma.Low95":0.00913,"Human.Funbound.plasma.High95":0.03566,"Human.Funbound.plasma.Point":-0.00031,"MW":230.05791,"logP":2.107}
{"Compound":"2,3,4,6-Tetrachlorophenol","CAS":"58-90-2","Human.Clint":0,"Human.Clint.pValue":0.99902,"pKa_Accept":"","pKa_Donor":"5.49","DSSTox_Substance_Id":"DTXSID9021716","SMILES":"OC1=C(Cl)C(Cl)=C(Cl)C=C1Cl","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":-13.16697,"MW":229.88598,"logP":3.806}
{"Compound":"2,3,6-Trimethylphenol","CAS":"2416-94-6","Human.Clint":106.3295,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.09039,"pKa_Accept":"","pKa_Donor":"10.81","DSSTox_Substance_Id":"DTXSID6022187","SMILES":"CC1=CC=C(C)C(O)=C1C","Human.Clint.Low95":48.1516,"Human.Clint.High95":155.57592,"Human.Clint.Point":49.21313,"Human.Funbound.plasma.Low95":0.07988,"Human.Funbound.plasma.High95":0.10699,"Human.Funbound.plasma.Point":0.07168,"MW":136.08882,"logP":2.248}
{"Compound":"2,4-Bis(1-methyl-1-phenylethyl)phenol","CAS":"2772-45-4","Human.Clint":128.4816,"Human.Clint.pValue":0,"pKa_Accept":"","pKa_Donor":"10.50","DSSTox_Substance_Id":"DTXSID7029241","SMILES":"CC(C)(C1=CC=CC=C1)C1=CC(=C(O)C=C1)C(C)(C)C1=CC=CC=C1","Human.Clint.Low95":26.60654,"Human.Clint.High95":1140.0588,"MW":330.19837,"logP":6.528}
{"Compound":"2,4-Di-tert-butylphenol","CAS":"96-76-4","Human.Clint":2.51898,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.14456,"pKa_Accept":"","pKa_Donor":"10.87","DSSTox_Substance_Id":"DTXSID2026602","SMILES":"CC(C)(C)C1=CC(=C(O)C=C1)C(C)(C)C","Human.Clint.Low95":0.44516,"Human.Clint.High95":5.85897,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.08672,"Human.Funbound.plasma.High95":0.27688,"Human.Funbound.plasma.Point":0.20459,"MW":206.16707,"logP":4.9}
{"Compound":"2,4-Diaminotoluene","CAS":"95-80-7","Human.Clint":0,"Human.Clint.pValue":0.95768,"pKa_Accept":"5.58,2.91","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID4020402","SMILES":"CC1=C(N)C=C(N)C=C1","Human.Clint.Low95":0,"Human.Clint.High95":28.71616,"Human.Clint.Point":0,"MW":122.0844,"logP":0.315}
{"Compound":"2,4-Dihydroxybenzophenone","CAS":"131-56-6","Human.Clint":39.3367,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.00789,"pKa_Accept":"","pKa_Donor":"7.09,8.72","DSSTox_Substance_Id":"DTXSID8022406","SMILES":"OC1=CC=C(C(=O)C2=CC=CC=C2)C(O)=C1","Human.Clint.Low95":24.6016,"Human.Clint.High95":51.60824,"Human.Clint.Point":63.65228,"Human.Funbound.plasma.Low95":0.00462,"Human.Funbound.plasma.High95":0.01661,"Human.Funbound.plasma.Point":0.00524,"MW":214.06299,"logP":2.267}
{"Compound":"2,4,4'-Trihydroxybenzophenone","CAS":"1470-79-7","Human.Clint":21.141,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.01938,"pKa_Accept":"","pKa_Donor":"7.01,7.87,8.79","DSSTox_Substance_Id":"DTXSID8044836","SMILES":"OC1=CC=C(C=C1)C(=O)C1=CC=C(O)C=C1O","Human.Clint.Low95":5.65591,"Human.Clint.High95":53.60934,"Human.Clint.Point":56.38728,"Human.Funbound.plasma.Low95":0.01266,"Human.Funbound.plasma.High95":0.0325,"Human.Funbound.plasma.Point":-0.0111,"MW":230.05791,"logP":2.18}
{"Compound":"2,4,5-Trichlorophenoxyacetic acid","CAS":"93-76-5","Human.Clint":0,"Human.Clint.pValue":0.99834,"Human.Funbound.plasma":0.01218,"pKa_Accept":"","pKa_Donor":"2.56","DSSTox_Substance_Id":"DTXSID5021388","SMILES":"OC(=O)COC1=C(Cl)C=C(Cl)C(Cl)=C1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.00781,"Human.Funbound.plasma.High95":0.02325,"Human.Funbound.plasma.Point":0.00486,"MW":253.93043,"logP":3.128}
{"Compound":"2,4,6-Trimethylphenol","CAS":"527-60-6","Human.Clint":162.853,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.1089,"pKa_Accept":"","pKa_Donor":"11.07","DSSTox_Substance_Id":"DTXSID7022049","SMILES":"CC1=CC(C)=C(O)C(C)=C1","Human.Clint.Low95":53.77893,"Human.Clint.High95":199.00443,"Human.Clint.Point":250.47611,"Human.Funbound.plasma.Low95":0.08918,"Human.Funbound.plasma.High95":0.13594,"Human.Funbound.plasma.Point":0.10029,"MW":136.08882,"logP":2.25}
{"Compound":"2,4,6-Tris(allyloxy)-1,3,5-triazine","CAS":"101-37-1","Human.Clint":9.27432,"Human.Clint.pValue":0,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID8037754","SMILES":"C=CCOC1=NC(OCC=C)=NC(OCC=C)=N1","Human.Clint.Low95":4.10549,"Human.Clint.High95":12.45685,"Human.Clint.Point":11.60432,"MW":249.11134,"logP":2.585}
{"Compound":"2,4,6-Tris(tert-butyl)phenol","CAS":"732-26-3","Human.Clint":40.7293,"Human.Clint.pValue":0,"pKa_Accept":"","pKa_Donor":"11.49","DSSTox_Substance_Id":"DTXSID2021311","SMILES":"CC(C)(C)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C","Human.Clint.Low95":9.78408,"Human.Clint.High95":174.12809,"Human.Clint.Point":19.97937,"MW":262.22967,"logP":5.46}
{"Compound":"2,5-Bis(2-methylbutan-2-yl)benzene-1,4-diol","CAS":"79-74-3","Human.Clint":11.36576,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.01632,"pKa_Accept":"","pKa_Donor":"10.34,12.16","DSSTox_Substance_Id":"DTXSID5044992","SMILES":"CCC(C)(C)C1=CC(O)=C(C=C1O)C(C)(C)CC","Human.Clint.Low95":5.91759,"Human.Clint.High95":20.513,"Human.Clint.Point":20.92472,"Human.Funbound.plasma.Low95":0.00943,"Human.Funbound.plasma.High95":0.03285,"Human.Funbound.plasma.Point":0,"MW":250.19328,"logP":4.839}
{"Compound":"2,5-Di-tert-butylbenzene-1,4-diol","CAS":"88-58-4","Human.Clint":117.1222,"Human.Clint.pValue":0,"Human.Funbound.plasma":2.44819e-07,"pKa_Accept":"","pKa_Donor":"10.36,12.18","DSSTox_Substance_Id":"DTXSID8041248","SMILES":"CC(C)(C)C1=CC(O)=C(C=C1O)C(C)(C)C","Human.Clint.Low95":5.09607,"Human.Clint.High95":1124.8312,"Human.Funbound.plasma.Low95":2.26764e-13,"Human.Funbound.plasma.High95":0.07434,"MW":222.16198,"logP":4.021}
{"Compound":"2,5-Dimethylphenol","CAS":"95-87-4","Human.Clint":33.771,"Human.Clint.pValue":0,"pKa_Accept":"","pKa_Donor":"10.47","DSSTox_Substance_Id":"DTXSID6025145","SMILES":"CC1=CC(O)=C(C)C=C1","Human.Clint.Low95":20.35577,"Human.Clint.High95":62.49409,"Human.Clint.Point":25.45438,"MW":122.07316,"logP":2.341}
{"Compound":"2,6,10-Trimethyl-2,6,10-triazaundecane","CAS":"3855-32-1","Human.Clint":0,"Human.Clint.pValue":0.99976,"Human.Funbound.plasma":0.03899,"pKa_Accept":"10.36,9.07,6.44","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID1044564","SMILES":"CN(C)CCCN(C)CCCN(C)C","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":-2.20603,"Human.Funbound.plasma.Low95":0.0196,"Human.Funbound.plasma.High95":0.07118,"Human.Funbound.plasma.Point":0.59909,"MW":201.2205,"logP":-2.072}
{"Compound":"3-Chloro-4-methylaniline","CAS":"95-74-9","Human.Clint":65.3463,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.14479,"pKa_Accept":"3.98","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID0020286","SMILES":"CC1=C(Cl)C=C(N)C=C1","Human.Clint.Low95":56.78079,"Human.Clint.High95":72.14629,"Human.Clint.Point":66.95502,"Human.Funbound.plasma.Low95":0.08788,"Human.Funbound.plasma.High95":0.25697,"Human.Funbound.plasma.Point":0.11624,"MW":141.03453,"logP":1.475}
{"Compound":"3-Dimethylaminophenol","CAS":"99-07-0","Human.Clint":0,"Human.Clint.pValue":0.8405,"Human.Funbound.plasma":0.24344,"pKa_Accept":"3.94","pKa_Donor":"9.78","DSSTox_Substance_Id":"DTXSID0025101","SMILES":"CN(C)C1=CC=CC(O)=C1","Human.Clint.Low95":0,"Human.Clint.High95":7.78404,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.11715,"Human.Funbound.plasma.High95":0.44832,"Human.Funbound.plasma.Point":0.30867,"MW":137.08406,"logP":1.7}
{"Compound":"3-Ethylphenol","CAS":"620-17-7","Human.Funbound.plasma":0.25691,"pKa_Accept":"","pKa_Donor":"10.11","DSSTox_Substance_Id":"DTXSID0022480","SMILES":"CCC1=CC=CC(O)=C1","Human.Funbound.plasma.Low95":0.19264,"Human.Funbound.plasma.High95":0.33657,"Human.Funbound.plasma.Point":0.19636,"MW":122.07316,"logP":2.339}
{"Compound":"3-Iodo-2-propynyl-N-butylcarbamate","CAS":"55406-53-6","Human.Clint":486.156,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.68113,"pKa_Accept":"","pKa_Donor":"14.00","DSSTox_Substance_Id":"DTXSID0028038","SMILES":"CCCCNC(=O)OCC#CI","Human.Clint.Low95":163.38094,"Human.Clint.High95":1198.50685,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.20605,"Human.Funbound.plasma.High95":0.98657,"Human.Funbound.plasma.Point":0,"MW":280.99128,"logP":2.255}
{"Compound":"3-Isopropylphenol","CAS":"618-45-1","Human.Clint":19.87331,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.14026,"pKa_Accept":"","pKa_Donor":"10.09","DSSTox_Substance_Id":"DTXSID0044571","SMILES":"CC(C)C1=CC=CC(O)=C1","Human.Clint.Low95":7.81709,"Human.Clint.High95":50.1412,"Human.Clint.Point":79.36035,"Human.Funbound.plasma.Low95":0.1271,"Human.Funbound.plasma.High95":0.15782,"Human.Funbound.plasma.Point":0.12327,"MW":136.08882,"logP":2.905}
{"Compound":"3-Methylaniline","CAS":"108-44-1","Human.Clint":32.9007,"Human.Clint.pValue":0.00074,"Human.Funbound.plasma":0.61196,"pKa_Accept":"4.86","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID1026792","SMILES":"CC1=CC(N)=CC=C1","Human.Clint.Low95":7.43653,"Human.Clint.High95":1041.52215,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.38172,"Human.Funbound.plasma.High95":0.97759,"Human.Funbound.plasma.Point":0.72444,"MW":107.0735,"logP":0.563}
{"Compound":"3-Phenoxybenzoic acid","CAS":"3739-38-6","Human.Clint":0,"Human.Clint.pValue":0.9981,"Human.Funbound.plasma":0.00667,"pKa_Accept":"","pKa_Donor":"3.82","DSSTox_Substance_Id":"DTXSID1038321","SMILES":"OC(=O)C1=CC(OC2=CC=CC=C2)=CC=C1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.0037,"Human.Funbound.plasma.High95":0.01909,"Human.Funbound.plasma.Point":0.00097,"MW":214.06299,"logP":3.22}
{"Compound":"3-Pyridinecarbonitrile","CAS":"100-54-9","Human.Clint":0,"Human.Clint.pValue":0.99968,"pKa_Accept":"1.40","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID1026665","SMILES":"N#CC1=CN=CC=C1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":-9.82225,"MW":104.03745,"logP":0.46}
{"Compound":"3-tert-Butylphenol","CAS":"585-34-2","Human.Clint":40.1787,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.11614,"pKa_Accept":"","pKa_Donor":"10.06","DSSTox_Substance_Id":"DTXSID9044825","SMILES":"CC(C)(C)C1=CC=CC(O)=C1","Human.Clint.Low95":11.83689,"Human.Clint.High95":62.2991,"Human.Clint.Point":42.77131,"Human.Funbound.plasma.Low95":0.09675,"Human.Funbound.plasma.High95":0.14157,"Human.Funbound.plasma.Point":0.11745,"MW":150.10447,"logP":3.442}
{"Compound":"3,3'-Dimethoxybenzidine dihydrochloride","CAS":"20325-40-0","Human.Clint":3.22574,"Human.Clint.pValue":0.05006,"Human.Funbound.plasma":0.20149,"DSSTox_Substance_Id":"DTXSID1020485","SMILES":"COC1=CC(=CC=C1N)C1=CC(OC)=C(N)C=C1","Human.Clint.Low95":0,"Human.Clint.High95":5.29198,"Human.Clint.Point":3.94195,"Human.Funbound.plasma.Low95":0.15216,"Human.Funbound.plasma.High95":0.28453,"Human.Funbound.plasma.Point":0.16874,"MW":244.12118,"logP":1.847}
{"Compound":"3,3'-Dimethylbenzidine dihydrochloride","CAS":"612-82-8","Human.Clint":25.4092,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.11506,"DSSTox_Substance_Id":"DTXSID6020511","SMILES":"CC1=CC(=CC=C1N)C1=CC=C(N)C(C)=C1","Human.Clint.Low95":20.15532,"Human.Clint.High95":28.45001,"Human.Clint.Point":26.71712,"Human.Funbound.plasma.Low95":0.08041,"Human.Funbound.plasma.High95":0.16003,"Human.Funbound.plasma.Point":0.11365,"MW":212.13135,"logP":2.093}
{"Compound":"3,3'-Dimethylbisphenol A","CAS":"79-97-0","Human.Clint":190.5607,"Human.Clint.pValue":0,"pKa_Accept":"","pKa_Donor":"10.14,10.75","DSSTox_Substance_Id":"DTXSID8047890","SMILES":"CC1=CC(=CC=C1O)C(C)(C)C1=CC(C)=C(O)C=C1","Human.Clint.Low95":28.58039,"Human.Clint.High95":1166.11305,"Human.Clint.Point":17.64819,"MW":256.14633,"logP":3.62}
{"Compound":"3,3',5,5'-Tetrabromobisphenol A","CAS":"79-94-7","Human.Clint":50.4652,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.00516,"pKa_Accept":"","pKa_Donor":"6.57,7.18","DSSTox_Substance_Id":"DTXSID1026081","SMILES":"CC(C)(C1=CC(Br)=C(O)C(Br)=C1)C1=CC(Br)=C(O)C(Br)=C1","Human.Clint.Low95":12.49007,"Human.Clint.High95":102.19,"Human.Clint.Point":31.88776,"Human.Funbound.plasma.Low95":0.00012,"Human.Funbound.plasma.High95":0.00847,"Human.Funbound.plasma.Point":-0.00014,"MW":539.75708,"logP":5.048}
{"Compound":"3,4-Diaminotoluene","CAS":"496-72-0","Human.Clint":8.27389,"Human.Clint.pValue":0.00384,"pKa_Accept":"5.00,0.92","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID9024930","SMILES":"CC1=CC=C(N)C(N)=C1","Human.Clint.Low95":3.5214,"Human.Clint.High95":18.18636,"Human.Clint.Point":0,"MW":122.0844,"logP":0.226}
{"Compound":"3,4-Dichloronitrobenzene","CAS":"99-54-7","Human.Clint":386.943,"Human.Clint.pValue":0,"Human.Funbound.plasma":1.31882e-07,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID8024999","SMILES":"[O-][N+](=O)C1=CC=C(Cl)C(Cl)=C1","Human.Clint.Low95":27.48181,"Human.Clint.High95":1255.71695,"Human.Funbound.plasma.Low95":1.76027e-13,"Human.Funbound.plasma.High95":0.02541,"Human.Funbound.plasma.Point":0.00664,"MW":190.95408,"logP":3.329}
{"Compound":"3,5-Dichloroaniline","CAS":"626-43-7","Human.Clint":86.0784,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.05224,"pKa_Accept":"2.59","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID7030307","SMILES":"NC1=CC(Cl)=CC(Cl)=C1","Human.Clint.Low95":81.60699,"Human.Clint.High95":90.13801,"Human.Clint.Point":92.48572,"Human.Funbound.plasma.Low95":0.04641,"Human.Funbound.plasma.High95":0.05864,"Human.Funbound.plasma.Point":0.04262,"MW":160.9799,"logP":2.518}
{"Compound":"3,5-Dichlorosalicyl-3,4-dichloroanullide","CAS":"1154-59-2","Human.Clint":0,"Human.Clint.pValue":0.99964,"Human.Funbound.plasma":1.08517e-08,"pKa_Accept":"","pKa_Donor":"5.95,12.89","DSSTox_Substance_Id":"DTXSID4040767","SMILES":"OC1=C(C=C(Cl)C=C1Cl)C(=O)NC1=CC=C(Cl)C(Cl)=C1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":-9.6397,"Human.Funbound.plasma.Low95":1.74622e-13,"Human.Funbound.plasma.High95":0.00079,"Human.Funbound.plasma.Point":-0.00009,"MW":348.92309,"logP":4.155}
{"Compound":"3,5,3'-Triiodothyronine","CAS":"6893-02-3","Human.Clint":0,"Human.Clint.pValue":0.99072,"Human.Funbound.plasma":0.00006,"DSSTox_Substance_Id":"DTXSID8023216","SMILES":"NC(CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1)C(O)=O","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":2.89789e-13,"Human.Funbound.plasma.High95":0.01949,"Human.Funbound.plasma.Point":0,"MW":650.79005,"logP":3.795}
{"Compound":"4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline","CAS":"10081-67-1","Human.Clint":0,"Human.Clint.pValue":0.99724,"Human.Funbound.plasma":2.72922e-08,"pKa_Accept":"0.95","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID0027721","SMILES":"CC(C)(C1=CC=CC=C1)C1=CC=C(NC2=CC=C(C=C2)C(C)(C)C2=CC=CC=C2)C=C1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":1.71389e-13,"Human.Funbound.plasma.High95":0.00588,"Human.Funbound.plasma.Point":-0.00024,"MW":405.24565,"logP":6.296}
{"Compound":"4-(4-Hydroxyphenyl)butan-2-one","CAS":"5471-51-2","Human.Clint":29.0503,"Human.Clint.pValue":0,"pKa_Accept":"","pKa_Donor":"9.51","DSSTox_Substance_Id":"DTXSID5044495","SMILES":"CC(=O)CCC1=CC=C(O)C=C1","Human.Clint.Low95":22.5724,"Human.Clint.High95":122.03581,"Human.Clint.Point":14.9754,"MW":164.08373,"logP":1.526}
{"Compound":"4-(Hexyloxy)phenol","CAS":"18979-55-0","Human.Clint":83.5807,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.00156,"pKa_Accept":"","pKa_Donor":"9.93","DSSTox_Substance_Id":"DTXSID4048195","SMILES":"CCCCCCOC1=CC=C(O)C=C1","Human.Clint.Low95":13.62533,"Human.Clint.High95":543.057,"Human.Clint.Point":13.33036,"Human.Funbound.plasma.Low95":3.53468e-13,"Human.Funbound.plasma.High95":0.0175,"Human.Funbound.plasma.Point":0.0317,"MW":194.13068,"logP":3.548}
{"Compound":"4-Aminobenzoic acid","CAS":"150-13-0","Human.Clint":0,"Human.Clint.pValue":0.94092,"Human.Funbound.plasma":0.76846,"pKa_Accept":"2.69","pKa_Donor":"4.77","DSSTox_Substance_Id":"DTXSID6024466","SMILES":"NC1=CC=C(C=C1)C(O)=O","Human.Clint.Low95":0,"Human.Clint.High95":2.38348,"Human.Clint.Point":3.17568,"Human.Funbound.plasma.Low95":0.62202,"Human.Funbound.plasma.High95":0.96707,"Human.Funbound.plasma.Point":0.85614,"MW":137.04768,"logP":0.948}
{"Compound":"4-Anilinophenol","CAS":"122-37-2","Human.Clint":75.1006,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.05897,"pKa_Accept":"2.17","pKa_Donor":"9.97","DSSTox_Substance_Id":"DTXSID5037739","SMILES":"OC1=CC=C(NC2=CC=CC=C2)C=C1","Human.Clint.Low95":55.01936,"Human.Clint.High95":95.87538,"Human.Clint.Point":53.4428,"Human.Funbound.plasma.Low95":0.03741,"Human.Funbound.plasma.High95":0.10333,"Human.Funbound.plasma.Point":0.03138,"MW":185.08406,"logP":2.713}
{"Compound":"4-Butylaniline","CAS":"104-13-2","Human.Clint":26.4176,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.06003,"pKa_Accept":"4.91","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID8021856","SMILES":"CCCCC1=CC=C(N)C=C1","Human.Clint.Low95":19.69691,"Human.Clint.High95":34.17473,"Human.Clint.Point":24.68621,"Human.Funbound.plasma.Low95":0.05361,"Human.Funbound.plasma.High95":0.06865,"Human.Funbound.plasma.Point":0.05095,"MW":149.12045,"logP":2.158}
{"Compound":"4-Butyloxyaniline","CAS":"4344-55-2","Human.Clint":28.4287,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.16492,"pKa_Accept":"5.17","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID4048199","SMILES":"CCCCOC1=CC=C(N)C=C1","Human.Clint.Low95":23.98158,"Human.Clint.High95":31.08301,"Human.Clint.Point":28.90439,"Human.Funbound.plasma.Low95":0.15382,"Human.Funbound.plasma.High95":0.17994,"Human.Funbound.plasma.Point":0.1721,"MW":165.11536,"logP":2.874}
{"Compound":"4-Butylphenol","CAS":"1638-22-8","Human.Clint":126.898,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.03393,"pKa_Accept":"","pKa_Donor":"10.31","DSSTox_Substance_Id":"DTXSID3047425","SMILES":"CCCCC1=CC=C(O)C=C1","Human.Clint.Low95":71.66733,"Human.Clint.High95":173.86933,"Human.Clint.Point":87.94579,"Human.Funbound.plasma.Low95":2.40679e-10,"Human.Funbound.plasma.High95":0.04933,"Human.Funbound.plasma.Point":0.06343,"MW":150.10447,"logP":3.138}
{"Compound":"4-Chloro-1,2-diaminobenzene","CAS":"95-83-0","Human.Clint":31.6087,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.36818,"pKa_Accept":"3.60","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID5020283","SMILES":"NC1=C(N)C=C(Cl)C=C1","Human.Clint.Low95":23.58799,"Human.Clint.High95":39.27865,"Human.Clint.Point":44.19661,"Human.Funbound.plasma.Low95":0.22552,"Human.Funbound.plasma.High95":0.66948,"Human.Funbound.plasma.Point":0.40983,"MW":142.02978,"logP":0.812}
{"Compound":"4-Chloro-2-methylaniline","CAS":"95-69-2","Human.Clint":8.06075,"Human.Clint.pValue":0,"Human.Funbound.plasma":1.06384e-06,"pKa_Accept":"3.41","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID1041508","SMILES":"CC1=C(N)C=CC(Cl)=C1","Human.Clint.Low95":4.80462,"Human.Clint.High95":11.19921,"Human.Clint.Point":9.24482,"Human.Funbound.plasma.Low95":2.32045e-13,"Human.Funbound.plasma.High95":0.95102,"Human.Funbound.plasma.Point":0.13062,"MW":141.03453,"logP":2.049}
{"Compound":"4-Chloro-3-methylphenol","CAS":"59-50-7","Human.Clint":0,"Human.Clint.pValue":0.99626,"Human.Funbound.plasma":0.07251,"pKa_Accept":"","pKa_Donor":"9.08","DSSTox_Substance_Id":"DTXSID4021717","SMILES":"CC1=C(Cl)C=CC(O)=C1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":-80.25931,"Human.Funbound.plasma.Low95":0.06102,"Human.Funbound.plasma.High95":0.09002,"Human.Funbound.plasma.Point":0.05349,"MW":142.01854,"logP":2.531}
{"Compound":"4-Chloroanulline","CAS":"106-47-8","Human.Clint":0,"Human.Clint.pValue":0.9529,"Human.Funbound.plasma":0.26426,"pKa_Accept":"3.49","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID9020295","SMILES":"NC1=CC=C(Cl)C=C1","Human.Clint.Low95":0,"Human.Clint.High95":6.04651,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.23837,"Human.Funbound.plasma.High95":0.29656,"Human.Funbound.plasma.Point":0.275,"MW":127.01888,"logP":2.109}
{"Compound":"4-Cumylphenol","CAS":"599-64-4","Human.Clint":27.1593,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.02322,"pKa_Accept":"","pKa_Donor":"10.08","DSSTox_Substance_Id":"DTXSID3022536","SMILES":"CC(C)(C1=CC=CC=C1)C1=CC=C(O)C=C1","Human.Clint.Low95":17.01164,"Human.Clint.High95":34.93701,"Human.Clint.Point":33.393,"Human.Funbound.plasma.Low95":0.0157,"Human.Funbound.plasma.High95":0.0362,"Human.Funbound.plasma.Point":0.01483,"MW":212.12012,"logP":3.795}
{"Compound":"4-Ethoxyaniline","CAS":"156-43-4","Human.Clint":13.80614,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.48622,"pKa_Accept":"5.13","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID0025864","SMILES":"CCOC1=CC=C(N)C=C1","Human.Clint.Low95":8.82667,"Human.Clint.High95":23.26358,"Human.Clint.Point":30.40034,"Human.Funbound.plasma.Low95":0.45271,"Human.Funbound.plasma.High95":0.52408,"Human.Funbound.plasma.Point":0.51574,"MW":137.08406,"logP":1.16}
{"Compound":"4-Heptylphenol","CAS":"1987-50-4","Human.Clint":42.508,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.00342,"pKa_Accept":"","pKa_Donor":"10.31","DSSTox_Substance_Id":"DTXSID2037714","SMILES":"CCCCCCCC1=CC=C(O)C=C1","Human.Clint.Low95":29.02794,"Human.Clint.High95":60.85153,"Human.Clint.Point":46.96624,"Human.Funbound.plasma.Low95":0.00115,"Human.Funbound.plasma.High95":0.00637,"Human.Funbound.plasma.Point":0,"MW":192.15142,"logP":3.987}
{"Compound":"4-Hexylanilline","CAS":"33228-45-4","Human.Clint":440.081,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.00705,"pKa_Accept":"4.82","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID5040708","SMILES":"CCCCCCC1=CC=C(N)C=C1","Human.Clint.Low95":17.98109,"Human.Clint.High95":1282.50845,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.00333,"Human.Funbound.plasma.High95":0.02113,"Human.Funbound.plasma.Point":0.00025,"MW":177.15175,"logP":3.056}
{"Compound":"4-Hexyloxyanilline","CAS":"39905-57-2","Human.Clint":79.2989,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.02516,"pKa_Accept":"5.10","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID4022288","SMILES":"CCCCCCOC1=CC=C(N)C=C1","Human.Clint.Low95":14.10032,"Human.Clint.High95":176.06582,"Human.Clint.Point":27.68801,"Human.Funbound.plasma.Low95":0.01558,"Human.Funbound.plasma.High95":0.04228,"Human.Funbound.plasma.Point":-0.00141,"MW":193.14666,"logP":3.089}
{"Compound":"4-Hydroxy-3-methoxybenzaldehyde","CAS":"121-33-5","Human.Clint":233.882,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.32206,"pKa_Accept":"","pKa_Donor":"7.81","DSSTox_Substance_Id":"DTXSID0021969","SMILES":"COC1=C(O)C=CC(C=O)=C1","Human.Clint.Low95":104.40719,"Human.Clint.High95":306.3663,"Human.Clint.Point":64.37984,"Human.Funbound.plasma.Low95":0.25956,"Human.Funbound.plasma.High95":0.40567,"Human.Funbound.plasma.Point":0.2664,"MW":152.04734,"logP":1.147}
{"Compound":"4-Hydroxytamoxifen","CAS":"68392-35-8","Human.Clint":15.96475,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.00502,"DSSTox_Substance_Id":"DTXSID3037094","SMILES":"CCC(=C(C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1","Human.Clint.Low95":10.77326,"Human.Clint.High95":18.26072,"Human.Clint.Point":18.1383,"Human.Funbound.plasma.Low95":0.00365,"Human.Funbound.plasma.High95":0.00604,"Human.Funbound.plasma.Point":0.00006,"MW":387.21983,"logP":3.748}
{"Compound":"4-Methoxyphenol","CAS":"150-76-5","Human.Clint":35.9946,"Human.Clint.pValue":0,"pKa_Accept":"","pKa_Donor":"9.94","DSSTox_Substance_Id":"DTXSID4020828","SMILES":"COC1=CC=C(O)C=C1","Human.Clint.Low95":2.41191,"Human.Clint.High95":105.87981,"Human.Clint.Point":75.37704,"MW":124.05243,"logP":1.407}
{"Compound":"4-Methylaniline","CAS":"106-49-0","Human.Funbound.plasma":0.42237,"pKa_Accept":"4.99","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID6021872","SMILES":"CC1=CC=C(N)C=C1","Human.Funbound.plasma.Low95":0.27189,"Human.Funbound.plasma.High95":0.58984,"Human.Funbound.plasma.Point":0.50386,"MW":107.0735,"logP":0.567}
{"Compound":"4-Methylbenzophenone","CAS":"134-84-9","Human.Clint":118.0469,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.0182,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID9037741","SMILES":"CC1=CC=C(C=C1)C(=O)C1=CC=CC=C1","Human.Clint.Low95":33.44035,"Human.Clint.High95":200.85025,"Human.Clint.Point":31.56981,"Human.Funbound.plasma.Low95":0.00941,"Human.Funbound.plasma.High95":0.04013,"Human.Funbound.plasma.Point":0.00649,"MW":196.08882,"logP":3.042}
{"Compound":"4-Nitroaniline","CAS":"100-01-6","Human.Clint":23.5605,"Human.Clint.pValue":0,"Human.Funbound.plasma":1.91866e-06,"pKa_Accept":"1.43","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID8020961","SMILES":"NC1=CC=C(C=C1)[N+]([O-])=O","Human.Clint.Low95":12.86974,"Human.Clint.High95":28.55083,"Human.Clint.Point":26.27467,"Human.Funbound.plasma.Low95":2.17536e-13,"Human.Funbound.plasma.High95":0.9679,"Human.Funbound.plasma.Point":1.00945,"MW":138.04293,"logP":0.823}
{"Compound":"4-Nitrophenol","CAS":"100-02-7","Human.Clint":13.96022,"Human.Clint.pValue":0.03442,"Human.Funbound.plasma":0.14177,"pKa_Accept":"","pKa_Donor":"7.07","DSSTox_Substance_Id":"DTXSID0021834","SMILES":"OC1=CC=C(C=C1)[N+]([O-])=O","Human.Clint.Low95":0,"Human.Clint.High95":25.00881,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.10508,"Human.Funbound.plasma.High95":0.19714,"Human.Funbound.plasma.Point":0.12296,"MW":139.02694,"logP":1.817}
{"Compound":"4-Nitrosodiphenylamine","CAS":"156-10-5","Human.Clint":838.952,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.11902,"pKa_Accept":"2.77","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID1021031","SMILES":"O=NC1=CC=C(NC2=CC=CC=C2)C=C1","Human.Clint.Low95":183.09049,"Human.Clint.High95":1307.8162,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":5.5404e-10,"Human.Funbound.plasma.High95":0.28457,"Human.Funbound.plasma.Point":0.17309,"MW":198.07931,"logP":2.573}
{"Compound":"4-Nonylphenol, branched","CAS":"84852-15-3","Human.Funbound.plasma":1.25578e-07,"pKa_Accept":"","pKa_Donor":"10.31","DSSTox_Substance_Id":"DTXSID5029055","SMILES":"CCCCCCCCCC1=CC=C(C=C1)O","Human.Funbound.plasma.Low95":1.81113e-13,"Human.Funbound.plasma.High95":0.08174,"Human.Funbound.plasma.Point":0.01664,"MW":220.18272,"logP":5.034}
{"Compound":"4-Pentylaniline","CAS":"33228-44-3","Human.Clint":18.19748,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.02392,"pKa_Accept":"4.91","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID0040707","SMILES":"CCCCCC1=CC=C(N)C=C1","Human.Clint.Low95":10.5127,"Human.Clint.High95":24.16014,"Human.Clint.Point":21.067,"Human.Funbound.plasma.Low95":0.01546,"Human.Funbound.plasma.High95":0.04022,"Human.Funbound.plasma.Point":0.01064,"MW":163.1361,"logP":2.553}
{"Compound":"4-Propylanilline","CAS":"2696-84-6","Human.Clint":17.30123,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.137,"pKa_Accept":"4.91","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID5048180","SMILES":"CCCC1=CC=C(N)C=C1","Human.Clint.Low95":6.91683,"Human.Clint.High95":28.91287,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.08934,"Human.Funbound.plasma.High95":0.21844,"Human.Funbound.plasma.Point":0.14599,"MW":135.1048,"logP":1.897}
{"Compound":"4-tert-Butylaniline","CAS":"769-92-6","Human.Clint":10.70875,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.15483,"pKa_Accept":"4.82","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID0048181","SMILES":"CC(C)(C)C1=CC=C(N)C=C1","Human.Clint.Low95":6.6621,"Human.Clint.High95":13.62361,"Human.Clint.Point":12.69571,"Human.Funbound.plasma.Low95":0.13984,"Human.Funbound.plasma.High95":0.1725,"Human.Funbound.plasma.Point":0.15087,"MW":149.12045,"logP":2.384}
{"Compound":"4-Vinyl-1-cyclohexene dioxide","CAS":"106-87-6","Human.Clint":135.6972,"Human.Clint.pValue":0,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID0020604","SMILES":"C1OC1C1CCC2OC2C1","Human.Clint.Low95":20.76607,"Human.Clint.High95":1205.87835,"MW":140.08373,"logP":0.803}
{"Compound":"4,4'-(9H-Fluorene-9,9-diyl)diphenol","CAS":"3236-71-3","Human.Clint":22.4456,"Human.Clint.pValue":0,"Human.Funbound.plasma":1.25546e-08,"pKa_Accept":"","pKa_Donor":"9.57,10.18","DSSTox_Substance_Id":"DTXSID5037731","SMILES":"OC1=CC=C(C=C1)C1(C2=C(C=CC=C2)C2=C1C=CC=C2)C1=CC=C(O)C=C1","Human.Clint.Low95":18.75303,"Human.Clint.High95":26.57281,"Human.Clint.Point":20.2117,"Human.Funbound.plasma.Low95":1.88751e-13,"Human.Funbound.plasma.High95":0.00146,"Human.Funbound.plasma.Point":0.00077,"MW":350.13068,"logP":3.445}
{"Compound":"4,4'-(Isopropylidenebis(4,1-phenyleneoxy))dianiline","CAS":"13080-86-9","Human.Clint":0,"Human.Clint.pValue":0.99964,"Human.Funbound.plasma":2.8229e-08,"pKa_Accept":"4.60,4.00","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID5051650","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","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":2.12048e-13,"Human.Funbound.plasma.High95":0.00326,"Human.Funbound.plasma.Point":-0.00002,"MW":410.19943,"logP":5.413}
{"Compound":"4,4'-Bipyridine","CAS":"553-26-4","Human.Clint":0,"Human.Clint.pValue":0.99808,"Human.Funbound.plasma":0.31064,"pKa_Accept":"5.25,4.44","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID2027200","SMILES":"C1=CC(=CC=N1)C1=CC=NC=C1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":5.52632e-11,"Human.Funbound.plasma.High95":0.95117,"Human.Funbound.plasma.Point":0.13314,"MW":156.06875,"logP":1.434}
{"Compound":"4,4'-Dibromodiphenyl ether","CAS":"2050-47-7","Human.Clint":12.43599,"Human.Clint.pValue":0.34896,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID9024015","SMILES":"BrC1=CC=C(OC2=CC=C(Br)C=C2)C=C1","Human.Clint.Low95":0,"Human.Clint.High95":1084.45015,"MW":325.89419,"logP":3.207}
{"Compound":"4,4'-Methylenebis(2,6-diethylaniline)","CAS":"13680-35-8","Human.Clint":8.20187,"Human.Clint.pValue":0.00002,"Human.Funbound.plasma":0.00805,"pKa_Accept":"4.30,3.51","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID4048191","SMILES":"CCC1=CC(CC2=CC(CC)=C(N)C(CC)=C2)=CC(CC)=C1N","Human.Clint.Low95":4.06524,"Human.Clint.High95":12.72864,"Human.Clint.Point":10.55015,"Human.Funbound.plasma.Low95":0.0063,"Human.Funbound.plasma.High95":0.00931,"Human.Funbound.plasma.Point":0.00248,"MW":310.2409,"logP":4.212}
{"Compound":"4,4'-Methylenedianiline","CAS":"101-77-9","Human.Clint":3.37199,"Human.Clint.pValue":0.00018,"Human.Funbound.plasma":0.26195,"pKa_Accept":"4.83,3.92","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID6022422","SMILES":"NC1=CC=C(CC2=CC=C(N)C=C2)C=C1","Human.Clint.Low95":1.40113,"Human.Clint.High95":5.45616,"Human.Clint.Point":4.59064,"Human.Funbound.plasma.Low95":0.22937,"Human.Funbound.plasma.High95":0.30285,"Human.Funbound.plasma.Point":0.21827,"MW":198.1157,"logP":1.378}
{"Compound":"4,4'-Sulfonyldiphenol","CAS":"80-09-1","Human.Clint":0,"Human.Clint.pValue":0.9922,"Human.Funbound.plasma":0.05781,"pKa_Accept":"","pKa_Donor":"7.42,8.03","DSSTox_Substance_Id":"DTXSID3022409","SMILES":"OC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(O)C=C1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.05069,"Human.Funbound.plasma.High95":0.07134,"Human.Funbound.plasma.Point":0.06147,"MW":250.02998,"logP":-0.714}
{"Compound":"4,4',4''-Ethane-1,1,1-triyltriphenol","CAS":"27955-94-8","Human.Clint":30.8283,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.01428,"pKa_Accept":"","pKa_Donor":"9.49,9.97,10.46","DSSTox_Substance_Id":"DTXSID2037712","SMILES":"CC(C1=CC=C(O)C=C1)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1","Human.Clint.Low95":11.91087,"Human.Clint.High95":41.76106,"Human.Clint.Point":38.29053,"Human.Funbound.plasma.Low95":0.0107,"Human.Funbound.plasma.High95":0.02227,"Human.Funbound.plasma.Point":0.01094,"MW":306.12559,"logP":3.584}
{"Compound":"5-Amino-2-methylphenol","CAS":"2835-95-2","Human.Clint":15.97907,"Human.Clint.pValue":0.00004,"Human.Funbound.plasma":0.57864,"pKa_Accept":"4.48","pKa_Donor":"10.09","DSSTox_Substance_Id":"DTXSID9024489","SMILES":"CC1=C(O)C=C(N)C=C1","Human.Clint.Low95":7.42692,"Human.Clint.High95":47.73493,"Human.Clint.Point":16.01655,"Human.Funbound.plasma.Low95":0.48868,"Human.Funbound.plasma.High95":0.71366,"Human.Funbound.plasma.Point":0.62301,"MW":123.06841,"logP":0.664}
{"Compound":"5-Heptyldihydro-2(3H)-furanone","CAS":"104-67-6","Human.Clint":9.46746,"Human.Clint.pValue":0.00206,"Human.Funbound.plasma":0.06929,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID4034287","SMILES":"CCCCCCCC1CCC(=O)O1","Human.Clint.Low95":4.10259,"Human.Clint.High95":16.35746,"Human.Clint.Point":10.23415,"Human.Funbound.plasma.Low95":0.04933,"Human.Funbound.plasma.High95":0.11269,"Human.Funbound.plasma.Point":0.05908,"MW":184.14633,"logP":3.198}
{"Compound":"5alpha-Dihydrotestosterone","CAS":"521-18-6","Human.Clint":70.6532,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.03128,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID9022364","SMILES":"CC12CCC3C(CCC4CC(=O)CCC34C)C1CCC2O","Human.Clint.Low95":51.69904,"Human.Clint.High95":83.3049,"Human.Clint.Point":63.51466,"Human.Funbound.plasma.Low95":0.02524,"Human.Funbound.plasma.High95":0.04056,"Human.Funbound.plasma.Point":0.02551,"MW":290.22458,"logP":3.513}
{"Compound":"5HPP-33","CAS":"105624-86-0","Human.Clint":47.028,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.04615,"pKa_Accept":"","pKa_Donor":"7.87","DSSTox_Substance_Id":"DTXSID1046970","SMILES":"CC(C)C1=CC=CC(C(C)C)=C1N1C(=O)C2=C(C=C(O)C=C2)C1=O","Human.Clint.Low95":32.27837,"Human.Clint.High95":55.09884,"Human.Clint.Point":42.60529,"Human.Funbound.plasma.Low95":0.0329,"Human.Funbound.plasma.High95":0.07443,"Human.Funbound.plasma.Point":0.05223,"MW":323.15214,"logP":3.801}
{"Compound":"6-Methyl-2-thiouracil","CAS":"56-04-2","Human.Clint":0,"Human.Clint.pValue":0.99952,"pKa_Accept":"","pKa_Donor":"8.75,14.10","DSSTox_Substance_Id":"DTXSID2020890","SMILES":"CC1=NC(=S)NC(=O)C1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"MW":142.02008,"logP":-0.377}
{"Compound":"6-Methylquinoline","CAS":"91-62-3","Human.Clint":134.2608,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.10108,"pKa_Accept":"4.68","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID3020887","SMILES":"CC1=CC2=CC=CN=C2C=C1","Human.Clint.Low95":43.0896,"Human.Clint.High95":206.40225,"Human.Clint.Point":8.86321,"Human.Funbound.plasma.Low95":0.08412,"Human.Funbound.plasma.High95":0.12356,"Human.Funbound.plasma.Point":0.06269,"MW":143.0735,"logP":2.424}
{"Compound":"6-Thioguanine","CAS":"154-42-7","Human.Clint":2.36227,"Human.Clint.pValue":0.47782,"Human.Funbound.plasma":0.79935,"pKa_Accept":"3.72","pKa_Donor":"9.96,14.98","DSSTox_Substance_Id":"DTXSID6023652","SMILES":"NC1=NC2=C(NC=N2)C(=S)N1","Human.Clint.Low95":0,"Human.Clint.High95":9.9724,"Human.Clint.Point":7.78585,"Human.Funbound.plasma.Low95":0.39752,"Human.Funbound.plasma.High95":0.98723,"Human.Funbound.plasma.Point":0.35686,"MW":167.02657,"logP":-0.329}
{"Compound":"7-Hydroxy-4-trifluoromethylcoumarin","CAS":"575-03-1","Human.Clint":127.147,"Human.Clint.pValue":0,"DSSTox_Substance_Id":"DTXSID80206109","SMILES":"OC1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F","Human.Clint.Low95":111.69659,"Human.Clint.High95":141.54109,"Human.Clint.Point":58.56023,"MW":230.01908,"logP":2.033}
{"Compound":"Acetophenone","CAS":"98-86-2","Human.Clint":0,"Human.Clint.pValue":0.9833,"Human.Funbound.plasma":0.3271,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID6021828","SMILES":"CC(=O)C1=CC=CC=C1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.24139,"Human.Funbound.plasma.High95":0.4466,"Human.Funbound.plasma.Point":0.3628,"MW":120.05751,"logP":1.902}
{"Compound":"Acetyl tributyl citrate","CAS":"77-90-7","Human.Clint":261.39,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.0086,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID2026446","SMILES":"CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC","Human.Clint.Low95":150.62448,"Human.Clint.High95":399.20035,"Human.Clint.Point":85.36543,"Human.Funbound.plasma.Low95":0.00422,"Human.Funbound.plasma.High95":0.01836,"Human.Funbound.plasma.Point":0.00146,"MW":402.22537,"logP":2.351}
{"Compound":"Acibenzolar-S-methyl","CAS":"135158-54-2","Human.Clint":862.915,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.02117,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID1032519","SMILES":"CSC(=O)C1=CC=CC2=C1SN=N2","Human.Clint.Low95":249.6385,"Human.Clint.High95":1309.754,"Human.Clint.Point":52.21341,"Human.Funbound.plasma.Low95":0.0095,"Human.Funbound.plasma.High95":0.03181,"Human.Funbound.plasma.Point":0.01465,"MW":209.99215,"logP":1.623}
{"Compound":"Acifluorfen","CAS":"50594-66-6","Human.Clint":0,"Human.Clint.pValue":0.99998,"Human.Funbound.plasma":0.01119,"pKa_Accept":"","pKa_Donor":"1.36","DSSTox_Substance_Id":"DTXSID0020022","SMILES":"OC(=O)C1=C(C=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=C1)[N+]([O-])=O","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.0065,"Human.Funbound.plasma.High95":0.02198,"Human.Funbound.plasma.Point":0.00225,"MW":360.99648,"logP":4.288}
{"Compound":"Adriamycin hydrochloride","CAS":"25316-40-9","Human.Clint":0,"Human.Clint.pValue":0.99956,"Human.Funbound.plasma":0.15737,"DSSTox_Substance_Id":"DTXSID3030636","SMILES":"COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.1355,"Human.Funbound.plasma.High95":0.19052,"Human.Funbound.plasma.Point":0.18283,"MW":543.17406,"logP":1.784}
{"Compound":"Aldoxycarb","CAS":"1646-88-4","Human.Clint":0,"Human.Clint.pValue":0.99856,"Human.Funbound.plasma":0.94721,"pKa_Accept":"0.67","pKa_Donor":"13.61","DSSTox_Substance_Id":"DTXSID6023862","SMILES":"CNC(=O)ON=CC(C)(C)S(C)(=O)=O","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.73085,"Human.Funbound.plasma.High95":0.9886,"Human.Funbound.plasma.Point":1.43965,"MW":222.06743,"logP":0.058}
{"Compound":"all-trans-Retinoic acid","CAS":"302-79-4","Human.Clint":10.49075,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.00414,"pKa_Accept":"","pKa_Donor":"5.00","DSSTox_Substance_Id":"DTXSID7021239","SMILES":"CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(O)=O","Human.Clint.Low95":4.20551,"Human.Clint.High95":19.706,"Human.Clint.Point":14.89503,"Human.Funbound.plasma.Low95":0.00115,"Human.Funbound.plasma.High95":0.01179,"Human.Funbound.plasma.Point":0,"MW":300.20893,"logP":5.836}
{"Compound":"Allura Red C.I.16035","CAS":"25956-17-6","Human.Clint":0,"Human.Clint.pValue":0.9988,"Human.Funbound.plasma":0.01359,"pKa_Accept":"","pKa_Donor":"-2.77,-2.15,11.83","DSSTox_Substance_Id":"DTXSID4024436","SMILES":"COC1=C(C=C(C)C(=C1)S(O)(=O)=O)N=NC1=C(O)C=CC2=CC(=CC=C12)S(O)(=O)=O","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.00504,"Human.Funbound.plasma.High95":0.0343,"Human.Funbound.plasma.Point":0.0042,"MW":452.03481,"logP":2.328}
{"Compound":"Amiodarone hydrochloride","CAS":"19774-82-4","Human.Clint":6.43251,"Human.Clint.pValue":0.0032,"Human.Funbound.plasma":2.50258e-08,"DSSTox_Substance_Id":"DTXSID7037185","SMILES":"CCCCC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=CC=CC=C2O1","Human.Clint.Low95":2.55985,"Human.Clint.High95":11.17928,"Human.Clint.Point":9.80283,"Human.Funbound.plasma.Low95":1.73969e-13,"Human.Funbound.plasma.High95":0.00418,"Human.Funbound.plasma.Point":0.00002,"MW":645.02369,"logP":5.47}
{"Compound":"Amitraz","CAS":"33089-61-1","Human.Clint":33.2704,"Human.Clint.pValue":0,"Human.Funbound.plasma":3.68e-08,"pKa_Accept":"8.83,8.22","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID5023871","SMILES":"CN(C=NC1=CC=C(C)C=C1C)C=NC1=CC=C(C)C=C1C","Human.Clint.Low95":28.57917,"Human.Clint.High95":37.28211,"Human.Clint.Point":36.99369,"Human.Funbound.plasma.Low95":1.72866e-13,"Human.Funbound.plasma.High95":0.00692,"Human.Funbound.plasma.Point":0.00006,"MW":293.1892,"logP":3.558}
{"Compound":"Aniline hydrochloride","CAS":"142-04-1","Human.Clint":4.41317,"Human.Clint.pValue":0.00004,"DSSTox_Substance_Id":"DTXSID3020091","SMILES":"NC1=CC=CC=C1","Human.Clint.Low95":2.11034,"Human.Clint.High95":7.84625,"Human.Clint.Point":5.98219,"MW":93.05785,"logP":1.218}
{"Compound":"Apigenin","CAS":"520-36-5","Human.Clint":138.0333,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.00006,"pKa_Accept":"","pKa_Donor":"6.57,8.07,8.83","DSSTox_Substance_Id":"DTXSID6022391","SMILES":"OC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C=C2O","Human.Clint.Low95":108.12096,"Human.Clint.High95":159.41504,"Human.Clint.Point":105.98392,"Human.Funbound.plasma.Low95":2.40436e-13,"Human.Funbound.plasma.High95":0.01354,"Human.Funbound.plasma.Point":-0.00132,"MW":270.05282,"logP":2.831}
{"Compound":"Apomorphine hydrochloride hydrate","CAS":"41372-20-7","Human.Clint":17.37975,"Human.Clint.pValue":0.00008,"Human.Funbound.plasma":0.07227,"DSSTox_Substance_Id":"DTXSID0048185","SMILES":"CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O.CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O.O.Cl.Cl","Human.Clint.Low95":5.04566,"Human.Clint.High95":44.55021,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.0392,"Human.Funbound.plasma.High95":0.12771,"Human.Funbound.plasma.Point":0.00363,"MW":267.12593,"logP":2.083}
{"Compound":"Aspirin","CAS":"50-78-2","Human.Clint":8.56986,"Human.Clint.pValue":0.09244,"Human.Funbound.plasma":0.54293,"pKa_Accept":"","pKa_Donor":"3.41","DSSTox_Substance_Id":"DTXSID5020108","SMILES":"CC(=O)OC1=C(C=CC=C1)C(O)=O","Human.Clint.Low95":0,"Human.Clint.High95":234.0817,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.25165,"Human.Funbound.plasma.High95":0.98534,"Human.Funbound.plasma.Point":0.42099,"MW":180.04226,"logP":1.423}
{"Compound":"Asulam","CAS":"3337-71-1","Human.Clint":1.79593,"Human.Clint.pValue":0.22826,"Human.Funbound.plasma":0.45349,"DSSTox_Substance_Id":"DTXSID8023890","SMILES":"COC(=O)NS(=O)(=O)C1=CC=C(N)C=C1","Human.Clint.Low95":0,"Human.Clint.High95":3.50003,"Human.Clint.Point":2.93864,"Human.Funbound.plasma.Low95":0.40411,"Human.Funbound.plasma.High95":0.53098,"Human.Funbound.plasma.Point":0.52807,"MW":230.03613,"logP":0.421}
{"Compound":"Auramine hydrochloride","CAS":"2465-27-2","Human.Clint":8.66009,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.10733,"DSSTox_Substance_Id":"DTXSID9020114","SMILES":"CN(C)C1=CC=C(C=C1)C(=N)C1=CC=C(C=C1)N(C)C","Human.Clint.Low95":4.14071,"Human.Clint.High95":13.73704,"Human.Clint.Point":13.0976,"Human.Funbound.plasma.Low95":0.07971,"Human.Funbound.plasma.High95":0.13887,"Human.Funbound.plasma.Point":0.13478,"MW":267.17355,"logP":3.29}
{"Compound":"Azamethiphos","CAS":"35575-96-3","Human.Clint":429.136,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.55744,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID9034818","SMILES":"COP(=O)(OC)SCN1C(=O)OC2=CC(Cl)=CN=C12","Human.Clint.Low95":244.45385,"Human.Clint.High95":1231.7915,"Human.Funbound.plasma.Low95":0.44416,"Human.Funbound.plasma.High95":0.68432,"Human.Funbound.plasma.Point":0.69919,"MW":323.97366,"logP":1.028}
{"Compound":"Azathioprine","CAS":"446-86-6","Human.Clint":0,"Human.Clint.pValue":0.83938,"Human.Funbound.plasma":0.32092,"pKa_Accept":"3.96","pKa_Donor":"8.62","DSSTox_Substance_Id":"DTXSID4020119","SMILES":"CN1C=NC(=C1SC1=NC=NC2=C1NC=N2)[N+]([O-])=O","Human.Clint.Low95":0,"Human.Clint.High95":6.73487,"Human.Clint.Point":6.96695,"Human.Funbound.plasma.Low95":0.27657,"Human.Funbound.plasma.High95":0.36908,"Human.Funbound.plasma.Point":0.29777,"MW":277.03819,"logP":0.558}
{"Compound":"Azobenzene","CAS":"103-33-3","Human.Clint":73.6641,"Human.Clint.pValue":0,"Human.Funbound.plasma":2.56771e-06,"pKa_Accept":"0.42","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID8020123","SMILES":"C1=CC=C(C=C1)N=NC1=CC=CC=C1","Human.Clint.Low95":26.82668,"Human.Clint.High95":144.51664,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":2.22638e-13,"Human.Funbound.plasma.High95":0.97369,"Human.Funbound.plasma.Point":0.19187,"MW":182.0844,"logP":2.63}
{"Compound":"Basic Blue 7","CAS":"2390-60-5","Human.Clint":3.21306,"Human.Clint.pValue":0,"Human.Funbound.plasma":2.21626e-08,"pKa_Accept":"5.39,4.18","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID5038888","SMILES":"CCNC1=CC=C(C(C2=CC=C(C=C2)N(CC)CC)=C2C=CC(C=C2)=[N+](CC)CC)C2=C1C=CC=C2","Human.Clint.Low95":1.38768,"Human.Clint.High95":4.7576,"Human.Clint.Point":3.89928,"Human.Funbound.plasma.Low95":1.87792e-13,"Human.Funbound.plasma.High95":0.00133,"Human.Funbound.plasma.Point":4.869e-06,"MW":478.32222,"logP":5.982}
{"Compound":"Benomyl","CAS":"17804-35-2","Human.Clint":26.0271,"Human.Clint.pValue":0,"Human.Funbound.plasma":8.21302e-07,"pKa_Accept":"0.23","pKa_Donor":"10.46","DSSTox_Substance_Id":"DTXSID5023900","SMILES":"CCCCNC(=O)N1C(NC(=O)OC)=NC2=C1C=CC=C2","Human.Clint.Low95":13.09999,"Human.Clint.High95":35.01302,"Human.Clint.Point":40.33526,"Human.Funbound.plasma.Low95":2.05621e-13,"Human.Funbound.plasma.High95":0.93408,"Human.Funbound.plasma.Point":0.3329,"MW":290.13789,"logP":3.665}
{"Compound":"Bensulfuron-methyl","CAS":"83055-99-6","Human.Clint":1.65441,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.01053,"pKa_Accept":"","pKa_Donor":"3.27","DSSTox_Substance_Id":"DTXSID7024164","SMILES":"COC(=O)C1=C(CS(=O)(=O)NC(=O)NC2=NC(OC)=CC(OC)=N2)C=CC=C1","Human.Clint.Low95":1.02404,"Human.Clint.High95":2.37456,"Human.Clint.Point":2.02891,"Human.Funbound.plasma.Low95":0.00629,"Human.Funbound.plasma.High95":0.02008,"Human.Funbound.plasma.Point":0.00409,"MW":410.08962,"logP":1.835}
{"Compound":"Benzal chloride","CAS":"98-87-3","Human.Funbound.plasma":8.80503e-07,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID6025014","SMILES":"ClC(Cl)C1=CC=CC=C1","Human.Funbound.plasma.Low95":2.17179e-13,"Human.Funbound.plasma.High95":0.29301,"Human.Funbound.plasma.Point":0,"MW":159.98466,"logP":3.611}
{"Compound":"Benzocaine","CAS":"94-09-7","Human.Clint":131.854,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.33738,"pKa_Accept":"2.78","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID8021804","SMILES":"CCOC(=O)C1=CC=C(N)C=C1","Human.Clint.Low95":91.92339,"Human.Clint.High95":180.94124,"Human.Clint.Point":71.09998,"Human.Funbound.plasma.Low95":0.30176,"Human.Funbound.plasma.High95":0.37193,"Human.Funbound.plasma.Point":0.34894,"MW":165.07898,"logP":1.87}
{"Compound":"Benzothiazole","CAS":"95-16-9","Human.Clint":18.91756,"Human.Clint.pValue":0,"pKa_Accept":"2.28","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID7024586","SMILES":"S1C=NC2=CC=CC=C12","Human.Clint.Low95":10.01849,"Human.Clint.High95":26.55304,"Human.Clint.Point":25.60692,"MW":135.01427,"logP":1.94}
{"Compound":"Benzyl butyl phthalate","CAS":"85-68-7","Human.Clint":427.441,"Human.Clint.pValue":0,"Human.Funbound.plasma":3.21159e-06,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID3020205","SMILES":"CCCCOC(=O)C1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1","Human.Clint.Low95":172.48686,"Human.Clint.High95":887.59733,"Human.Clint.Point":47.14129,"Human.Funbound.plasma.Low95":2.23192e-13,"Human.Funbound.plasma.High95":0.93184,"Human.Funbound.plasma.Point":0.44542,"MW":312.13616,"logP":3.793}
{"Compound":"Benzyl salicylate","CAS":"118-58-1","Human.Clint":841.488,"Human.Clint.pValue":0,"Human.Funbound.plasma":3.05013e-08,"pKa_Accept":"","pKa_Donor":"9.72","DSSTox_Substance_Id":"DTXSID1024598","SMILES":"OC1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1","Human.Clint.Low95":236.47975,"Human.Clint.High95":1309.82705,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":1.76055e-13,"Human.Funbound.plasma.High95":0.00601,"Human.Funbound.plasma.Point":-0.00198,"MW":228.07864,"logP":2.334}
{"Compound":"Benzylparaben","CAS":"94-18-8","Human.Clint":633.058,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.00628,"pKa_Accept":"","pKa_Donor":"8.50","DSSTox_Substance_Id":"DTXSID9022526","SMILES":"OC1=CC=C(C=C1)C(=O)OCC1=CC=CC=C1","Human.Clint.Low95":234.4679,"Human.Clint.High95":1286.5302,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":5.19503e-13,"Human.Funbound.plasma.High95":0.01624,"Human.Funbound.plasma.Point":0.00317,"MW":228.07864,"logP":1.994}
{"Compound":"Besonprodil","CAS":"253450-09-8","Human.Clint":5.30739,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.03854,"pKa_Accept":"7.86","pKa_Donor":"9.38","DSSTox_Substance_Id":"DTXSID2047270","SMILES":"FC1=CC=C(CC2CCN(CCS(=O)C3=CC=C4NC(=O)OC4=C3)CC2)C=C1","Human.Clint.Low95":2.72333,"Human.Clint.High95":9.57768,"Human.Clint.Point":9.52912,"Human.Funbound.plasma.Low95":0.02522,"Human.Funbound.plasma.High95":0.06253,"Human.Funbound.plasma.Point":0.03003,"MW":402.14134,"logP":3.968}
{"Compound":"beta-Hexachlorocyclohexane","CAS":"319-85-7","Human.Clint":0,"Human.Clint.pValue":0.98234,"DSSTox_Substance_Id":"DTXSID7020685","SMILES":"ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","Human.Clint.Low95":0,"Human.Clint.High95":0,"MW":287.86007,"logP":3.627}
{"Compound":"Bicalutamide","CAS":"90357-06-5","Human.Clint":0,"Human.Clint.pValue":0.99984,"Human.Funbound.plasma":0.03191,"pKa_Accept":"","pKa_Donor":"11.95,13.85","DSSTox_Substance_Id":"DTXSID2022678","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","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.02667,"Human.Funbound.plasma.High95":0.04571,"Human.Funbound.plasma.Point":0.02855,"MW":430.06104,"logP":3.181}
{"Compound":"Bifenthrin","CAS":"82657-04-3","Human.Clint":0,"Human.Clint.pValue":0.99936,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID9020160","SMILES":"Cc1c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)cccc1-c1ccccc1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"MW":422.12604,"logP":6.787}
{"Compound":"Biochanin A","CAS":"491-80-5","Human.Clint":229.95,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.02033,"pKa_Accept":"","pKa_Donor":"6.55,8.15","DSSTox_Substance_Id":"DTXSID1022394","SMILES":"COC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O","Human.Clint.Low95":203.998,"Human.Clint.High95":249.6921,"Human.Clint.Point":79.38584,"Human.Funbound.plasma.Low95":0.01755,"Human.Funbound.plasma.High95":0.02573,"Human.Funbound.plasma.Point":0.01034,"MW":284.06847,"logP":3.076}
{"Compound":"Bis(4-hydroxyphenyl)methane","CAS":"620-92-8","Human.Clint":25.4553,"Human.Clint.pValue":0,"pKa_Accept":"","pKa_Donor":"9.84,10.45","DSSTox_Substance_Id":"DTXSID9022445","SMILES":"OC1=CC=C(CC2=CC=C(O)C=C2)C=C1","Human.Clint.Low95":14.61795,"Human.Clint.High95":64.85942,"Human.Clint.Point":14.84461,"MW":200.08373,"logP":2.209}
{"Compound":"Bisdemethoxycurcumin","CAS":"33171-05-0","Human.Clint":112.1293,"Human.Clint.pValue":0,"Human.Funbound.plasma":2.52479e-08,"DSSTox_Substance_Id":"DTXSID00872663","SMILES":"OC1=CC=C(C=CC(=O)CC(=O)C=CC2=CC=C(O)C=C2)C=C1","Human.Clint.Low95":33.85998,"Human.Clint.High95":203.73255,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":1.66855e-13,"Human.Funbound.plasma.High95":0.00564,"Human.Funbound.plasma.Point":0.00015,"MW":308.10486,"logP":3.282}
{"Compound":"BisOPP-A","CAS":"24038-68-4","Human.Funbound.plasma":1.98313e-08,"DSSTox_Substance_Id":"DTXSID9058654","SMILES":"CC(C)(C1=CC(=C(O)C=C1)C1=CC=CC=C1)C1=CC(=C(O)C=C1)C1=CC=CC=C1","Human.Funbound.plasma.Low95":1.90944e-13,"Human.Funbound.plasma.High95":0.00377,"Human.Funbound.plasma.Point":0.08204,"MW":380.17763,"logP":5.292}
{"Compound":"Bisphenol A","CAS":"80-05-7","Human.Clint":19.86214,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.03856,"pKa_Accept":"","pKa_Donor":"9.78,10.39","DSSTox_Substance_Id":"DTXSID7020182","SMILES":"CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1","Human.Clint.Low95":10.18537,"Human.Clint.High95":29.84483,"Human.Clint.Point":24.40492,"Human.Funbound.plasma.Low95":0.03385,"Human.Funbound.plasma.High95":0.04549,"Human.Funbound.plasma.Point":0.04473,"MW":228.11503,"logP":3.191}
{"Compound":"Bisphenol AF","CAS":"1478-61-1","Human.Clint":124.8692,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.00556,"pKa_Accept":"","pKa_Donor":"9.13,9.74","DSSTox_Substance_Id":"DTXSID7037717","SMILES":"OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)(C(F)(F)F)C(F)(F)F","Human.Clint.Low95":44.33805,"Human.Clint.High95":158.11024,"Human.Clint.Point":68.36733,"Human.Funbound.plasma.Low95":0.00305,"Human.Funbound.plasma.High95":0.01336,"Human.Funbound.plasma.Point":0.00042,"MW":336.0585,"logP":6.292}
{"Compound":"Bisphenol E","CAS":"2081-08-5","Human.Clint":118.8345,"Human.Clint.pValue":0,"pKa_Accept":"","pKa_Donor":"9.81,10.42","DSSTox_Substance_Id":"DTXSID3047891","SMILES":"CC(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1","Human.Clint.Low95":52.01537,"Human.Clint.High95":165.6234,"Human.Clint.Point":52.72928,"MW":214.09938,"logP":2.916}
{"Compound":"Bisphenol F","CAS":"2467-02-9","Human.Clint":83.5354,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.0409,"pKa_Accept":"","pKa_Donor":"8.26,11.90","DSSTox_Substance_Id":"DTXSID4022446","SMILES":"OC1=C(CC2=C(O)C=CC=C2)C=CC=C1","Human.Clint.Low95":40.8072,"Human.Clint.High95":121.64413,"Human.Clint.Point":45.57575,"Human.Funbound.plasma.Low95":0.02985,"Human.Funbound.plasma.High95":0.05911,"Human.Funbound.plasma.Point":0.02307,"MW":200.08373,"logP":2.146}
{"Compound":"Bispyribac-sodium","CAS":"125401-92-5","Human.Clint":0,"Human.Clint.pValue":0.99982,"Human.Funbound.plasma":0.0107,"DSSTox_Substance_Id":"DTXSID7034383","SMILES":"COC1=CC(OC)=NC(OC2=CC=CC(OC3=NC(OC)=CC(OC)=N3)=C2C(O)=O)=N1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":-4.54152,"Human.Funbound.plasma.Low95":0.00755,"Human.Funbound.plasma.High95":0.01942,"Human.Funbound.plasma.Point":0.00474,"MW":430.11246,"logP":1.895}
{"Compound":"Bromcresol green","CAS":"76-60-8","Human.Funbound.plasma":0.00181,"pKa_Accept":"","pKa_Donor":"6.57,7.17","DSSTox_Substance_Id":"DTXSID9044459","SMILES":"CC1=C(C=C(Br)C(O)=C1Br)C1(OS(=O)(=O)C2=C1C=CC=C2)C1=C(C)C(Br)=C(O)C(Br)=C1","Human.Funbound.plasma.Low95":0.00084,"Human.Funbound.plasma.High95":0.00636,"Human.Funbound.plasma.Point":0.00176,"MW":693.72954,"logP":3.689}
{"Compound":"Bromocresol green sodium salt","CAS":"62625-32-5","Human.Clint":0,"Human.Clint.pValue":0.99124,"Human.Funbound.plasma":0.00426,"pKa_Accept":"","pKa_Donor":"-2.56,6.35","DSSTox_Substance_Id":"DTXSID3044704","SMILES":"CC1=C(Br)C(O)=C(Br)C=C1C(C1=CC=CC=C1S(O)(=O)=O)=C1C=C(Br)C(=O)C(Br)=C1C","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":11.14309,"Human.Funbound.plasma.Low95":2.74243e-12,"Human.Funbound.plasma.High95":0.02038,"Human.Funbound.plasma.Point":0.00041,"MW":693.72954,"logP":1.581}
{"Compound":"Bromocriptine mesylate","CAS":"22260-51-1","Human.Clint":177.5193,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.00899,"pKa_Accept":"6.71","pKa_Donor":"9.68,11.13,14.95","DSSTox_Substance_Id":"DTXSID6020197","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","Human.Clint.Low95":123.30718,"Human.Clint.High95":219.37805,"Human.Clint.Point":75.00431,"Human.Funbound.plasma.Low95":0.00574,"Human.Funbound.plasma.High95":0.01909,"Human.Funbound.plasma.Point":0.00334,"MW":653.22128,"logP":2.995}
{"Compound":"Bromophenol blue","CAS":"115-39-9","Human.Clint":0,"Human.Clint.pValue":0.982,"pKa_Accept":"","pKa_Donor":"6.41,7.01","DSSTox_Substance_Id":"DTXSID6041682","SMILES":"OC1=C(Br)C=C(C=C1Br)C1(OS(=O)(=O)C2=C1C=CC=C2)C1=CC(Br)=C(O)C(Br)=C1","Human.Clint.Low95":0,"Human.Clint.High95":0,"MW":665.69824,"logP":4.732}
{"Compound":"Butyl benzoate","CAS":"136-60-7","Human.Clint":863.78,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.31161,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID8040694","SMILES":"CCCCOC(=O)C1=CC=CC=C1","Human.Clint.Low95":244.7599,"Human.Clint.High95":1310.0942,"Human.Funbound.plasma.Low95":0.16424,"Human.Funbound.plasma.High95":0.57877,"Human.Funbound.plasma.Point":0.20324,"MW":178.09938,"logP":3.056}
{"Compound":"C.I. Basic Red 9 monohydrochloride","CAS":"569-61-9","Human.Clint":3.22522,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.23483,"DSSTox_Substance_Id":"DTXSID1021247","SMILES":"NC1=CC=C(C=C1)C(C1=CC=C(N)C=C1)=C1C=CC(=N)C=C1","Human.Clint.Low95":0.66091,"Human.Clint.High95":6.29947,"Human.Clint.Point":5.91213,"Human.Funbound.plasma.Low95":0.10923,"Human.Funbound.plasma.High95":0.39366,"Human.Funbound.plasma.Point":0.25867,"MW":287.14225,"logP":2.183}
{"Compound":"C.I. Disperse Orange 37","CAS":"13301-61-6","Human.Clint":0,"Human.Clint.pValue":0.99718,"Human.Funbound.plasma":0.00101,"pKa_Accept":"2.88","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID9044538","SMILES":"CCN(CCC#N)C1=CC=C(C=C1)N=NC1=C(Cl)C=C(C=C1Cl)[N+]([O-])=O","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.00044,"Human.Funbound.plasma.High95":0.00303,"Human.Funbound.plasma.Point":-0.0002,"MW":391.06028,"logP":3.864}
{"Compound":"C.I. Solvent Orange 7","CAS":"3118-97-6","Human.Clint":0,"Human.Clint.pValue":0.99908,"Human.Funbound.plasma":2.6363e-08,"pKa_Accept":"0.54","pKa_Donor":"11.84","DSSTox_Substance_Id":"DTXSID5040706","SMILES":"CC1=CC=C(N=NC2=C(O)C=CC3=CC=CC=C23)C(C)=C1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":2.10571e-13,"Human.Funbound.plasma.High95":0.0061,"Human.Funbound.plasma.Point":0.00033,"MW":276.12626,"logP":3.643}
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{"Compound":"Captafol","CAS":"2425-06-1","Human.Clint":0,"Human.Clint.pValue":0.5184,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID4020242","SMILES":"ClC(Cl)C(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O","Human.Clint.Low95":0,"Human.Clint.High95":1266.51015,"Human.Clint.Point":0,"MW":346.91081,"logP":2.438}
{"Compound":"Carabersat","CAS":"184653-84-7","Human.Clint":0,"Human.Clint.pValue":0.9962,"Human.Funbound.plasma":0.18689,"pKa_Accept":"","pKa_Donor":"12.90,14.58","DSSTox_Substance_Id":"DTXSID6047319","SMILES":"CC(=O)C1=CC=C2OC(C)(C)C(O)C(NC(=O)C3=CC=C(F)C=C3)C2=C1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.16058,"Human.Funbound.plasma.High95":0.2253,"Human.Funbound.plasma.Point":0.17984,"MW":357.13764,"logP":2.835}
{"Compound":"Carfentrazone-ethyl","CAS":"128639-02-1","Human.Clint":853.612,"Human.Clint.pValue":0,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID4032532","SMILES":"CCOC(=O)C(Cl)CC1=C(Cl)C=C(F)C(=C1)N1N=C(C)N(C(F)F)C1=O","Human.Clint.Low95":231.6375,"Human.Clint.High95":1310.45695,"MW":411.03643,"logP":3.547}
{"Compound":"Cariporide mesylate","CAS":"159138-81-5","Human.Clint":0,"Human.Clint.pValue":0.99996,"Human.Funbound.plasma":0.45062,"DSSTox_Substance_Id":"DTXSID3047344","SMILES":"CC(C)C1=CC=C(C=C1S(C)(=O)=O)C(=O)N=C(N)N","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.39701,"Human.Funbound.plasma.High95":0.51634,"Human.Funbound.plasma.Point":0.4599,"MW":283.09906,"logP":-0.074}
{"Compound":"Carminic acid","CAS":"1260-17-9","Human.Clint":88.7944,"Human.Clint.pValue":0.02146,"Human.Funbound.plasma":3.45071e-08,"pKa_Accept":"","pKa_Donor":"2.22,7.18,9.08","DSSTox_Substance_Id":"DTXSID9022817","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","Human.Clint.Low95":5.18644,"Human.Clint.High95":1196.42875,"Human.Funbound.plasma.Low95":1.88004e-13,"Human.Funbound.plasma.High95":0.00745,"Human.Funbound.plasma.Point":-0.01401,"MW":492.09039,"logP":0.718}
{"Compound":"Catechol","CAS":"120-80-9","Human.Clint":42.2914,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.02691,"pKa_Accept":"","pKa_Donor":"9.34,12.79","DSSTox_Substance_Id":"DTXSID3020257","SMILES":"OC1=C(O)C=CC=C1","Human.Clint.Low95":11.91695,"Human.Clint.High95":72.28806,"Human.Clint.Point":64.94432,"Human.Funbound.plasma.Low95":3.72609e-13,"Human.Funbound.plasma.High95":0.06387,"Human.Funbound.plasma.Point":-0.0381,"MW":110.03678,"logP":0.76}
{"Compound":"Chloramben","CAS":"133-90-4","Human.Clint":0,"Human.Clint.pValue":0.99966,"pKa_Accept":"1.29","pKa_Donor":"3.60","DSSTox_Substance_Id":"DTXSID2020262","SMILES":"NC1=C(Cl)C(=CC(Cl)=C1)C(O)=O","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"MW":204.96973,"logP":1.678}
{"Compound":"Chlorethoxyfos","CAS":"54593-83-8","Human.Clint":617.411,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.00363,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID2032344","SMILES":"CCOP(=S)(OCC)OC(Cl)C(Cl)(Cl)Cl","Human.Clint.Low95":137.85363,"Human.Clint.High95":1297.5101,"Human.Funbound.plasma.Low95":0.00143,"Human.Funbound.plasma.High95":0.00893,"Human.Funbound.plasma.Point":0,"MW":333.89206,"logP":4.336}
{"Compound":"Chlorhexidine diacetate","CAS":"56-95-1","Human.Clint":0,"Human.Clint.pValue":0.99738,"Human.Funbound.plasma":0.00252,"DSSTox_Substance_Id":"DTXSID7032345","SMILES":"ClC1=CC=C(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NC2=CC=C(Cl)C=C2)C=C1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.00079,"Human.Funbound.plasma.High95":0.01129,"Human.Funbound.plasma.Point":0.00023,"MW":504.2032,"logP":1.15}
{"Compound":"Chlorobenzilate","CAS":"510-15-6","Human.Clint":477.18,"Human.Clint.pValue":0,"pKa_Accept":"","pKa_Donor":"10.99","DSSTox_Substance_Id":"DTXSID9020299","SMILES":"CCOC(=O)C(O)(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1","Human.Clint.Low95":58.65504,"Human.Clint.High95":1272.7023,"MW":324.032,"logP":2.936}
{"Compound":"Chlorophacinone","CAS":"3691-35-8","Human.Clint":0,"Human.Clint.pValue":0.99968,"Human.Funbound.plasma":3.4502e-08,"pKa_Accept":"","pKa_Donor":"4.12","DSSTox_Substance_Id":"DTXSID2032348","SMILES":"ClC1=CC=C(C=C1)C(C(=O)C1C(=O)C2=C(C=CC=C2)C1=O)C1=CC=CC=C1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":1.90351e-13,"Human.Funbound.plasma.High95":0.00509,"Human.Funbound.plasma.Point":-0.00048,"MW":374.07097,"logP":3.049}
{"Compound":"Chlorothalonil","CAS":"1897-45-6","Human.Clint":0,"Human.Clint.pValue":0.93254,"Human.Funbound.plasma":0.36034,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID0020319","SMILES":"ClC1=C(Cl)C(C#N)=C(Cl)C(C#N)=C1Cl","Human.Clint.Low95":0,"Human.Clint.High95":132.31298,"Human.Funbound.plasma.Low95":0.0392,"Human.Funbound.plasma.High95":0.44846,"Human.Funbound.plasma.Point":0.27451,"MW":263.88156,"logP":2.902}
{"Compound":"Chlorotrianisene","CAS":"569-57-3","Human.Clint":0,"Human.Clint.pValue":0.97888,"Human.Funbound.plasma":3.82068e-06,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID1021299","SMILES":"COC1=CC=C(C=C1)C(Cl)=C(C1=CC=C(OC)C=C1)C1=CC=C(OC)C=C1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":21.31294,"Human.Funbound.plasma.Low95":2.48158e-13,"Human.Funbound.plasma.High95":0.01869,"Human.Funbound.plasma.Point":0.00002,"MW":380.11792,"logP":4.557}
{"Compound":"Chlorpromazine hydrochloride","CAS":"69-09-0","Human.Clint":5.42897,"Human.Clint.pValue":0.07764,"Human.Funbound.plasma":0.02418,"DSSTox_Substance_Id":"DTXSID7024827","SMILES":"CN(C)CCCN1C2=C(SC3=C1C=C(Cl)C=C3)C=CC=C2","Human.Clint.Low95":0,"Human.Clint.High95":9.65106,"Human.Clint.Point":7.86449,"Human.Funbound.plasma.Low95":0.01789,"Human.Funbound.plasma.High95":0.03807,"Human.Funbound.plasma.Point":0.00572,"MW":318.09575,"logP":3.364}
{"Compound":"Chlorpropham","CAS":"101-21-3","Human.Clint":78.0707,"Human.Clint.pValue":0.00396,"Human.Funbound.plasma":0.08331,"pKa_Accept":"","pKa_Donor":"12.89","DSSTox_Substance_Id":"DTXSID7020764","SMILES":"CC(C)OC(=O)NC1=CC=CC(Cl)=C1","Human.Clint.Low95":7.69756,"Human.Clint.High95":1081.26255,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.05139,"Human.Funbound.plasma.High95":0.35174,"Human.Funbound.plasma.Point":0.34032,"MW":213.05566,"logP":2.857}
{"Compound":"Chlorpyrifos-methyl","CAS":"5598-13-0","Human.Clint":24.1436,"Human.Clint.pValue":0,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID6032352","SMILES":"COP(=S)(OC)OC1=NC(Cl)=C(Cl)C=C1Cl","Human.Clint.Low95":15.87208,"Human.Clint.High95":47.03163,"Human.Clint.Point":46.78656,"MW":320.89498,"logP":4.298}
{"Compound":"Chlorpyrifos oxon","CAS":"5598-15-2","Human.Clint":43.3374,"Human.Clint.pValue":0,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID1038666","SMILES":"CCOP(=O)(OCC)OC1=NC(Cl)=C(Cl)C=C1Cl","Human.Clint.Low95":38.58958,"Human.Clint.High95":46.8428,"Human.Clint.Point":44.12173,"MW":332.94913,"logP":2.695}
{"Compound":"Chrysin","CAS":"480-40-0","Human.Clint":204.184,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.0025,"pKa_Accept":"","pKa_Donor":"6.58,8.18","DSSTox_Substance_Id":"DTXSID1022396","SMILES":"OC1=CC2=C(C(O)=C1)C(=O)C=C(O2)C1=CC=CC=C1","Human.Clint.Low95":143.20674,"Human.Clint.High95":243.96205,"Human.Clint.Point":79.03994,"Human.Funbound.plasma.Low95":2.78446e-13,"Human.Funbound.plasma.High95":0.02202,"Human.Funbound.plasma.Point":-0.09684,"MW":254.05791,"logP":2.923}
{"Compound":"CI-1044","CAS":"NOCAS_47291","Human.Funbound.plasma":0.19758,"DSSTox_Substance_Id":"DTXSID5047291","SMILES":"Nc1cc2CCN3c2c(c1)C(=NC(NC(=O)c1cccnc1)C3=O)c1ccccc1","Human.Funbound.plasma.Low95":0.1599,"Human.Funbound.plasma.High95":0.25089,"Human.Funbound.plasma.Point":0.23543,"MW":397.15387,"logP":2.586}
{"Compound":"CJ-013610","CAS":"249296-43-3","Human.Clint":2.78571,"Human.Clint.pValue":0.25582,"Human.Funbound.plasma":0.06448,"DSSTox_Substance_Id":"DTXSID2047272","SMILES":"CC1=NC=CN1C1=CC=C(SC2=CC=CC(=C2)C2(CCOCC2)C(N)=O)C=C1","Human.Clint.Low95":0,"Human.Clint.High95":6.21347,"Human.Clint.Point":4.6158,"Human.Funbound.plasma.Low95":0.05989,"Human.Funbound.plasma.High95":0.07128,"Human.Funbound.plasma.Point":0.05519,"MW":393.1511,"logP":2.89}
{"Compound":"Clodinafop-propargyl","CAS":"105512-06-9","Human.Clint":1014.776,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.0219,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID6032354","SMILES":"CC(OC1=CC=C(OC2=NC=C(Cl)C=C2F)C=C1)C(=O)OCC#C","Human.Clint.Low95":545.1996,"Human.Clint.High95":1321.3361,"Human.Clint.Point":86.50397,"Human.Funbound.plasma.Low95":0.01117,"Human.Funbound.plasma.High95":0.03955,"Human.Funbound.plasma.Point":0.00714,"MW":349.05171,"logP":3.665}
{"Compound":"Clofentezine","CAS":"74115-24-5","Human.Clint":0,"Human.Clint.pValue":0.99922,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID9023881","SMILES":"ClC1=CC=CC=C1C1=NN=C(N=N1)C1=C(Cl)C=CC=C1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":-32.49622,"MW":302.0126,"logP":5.035}
{"Compound":"Clofibrate","CAS":"637-07-0","Human.Clint":867.604,"Human.Clint.pValue":0,"Human.Funbound.plasma":9.5076e-08,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID3020336","SMILES":"CCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1","Human.Clint.Low95":251.3373,"Human.Clint.High95":1311.4824,"Human.Funbound.plasma.Low95":2.30631e-13,"Human.Funbound.plasma.High95":0.01358,"Human.Funbound.plasma.Point":0.00112,"MW":242.07097,"logP":3.438}
{"Compound":"Clomipramine hydrochloride","CAS":"17321-77-6","Human.Clint":0,"Human.Clint.pValue":0.9771,"Human.Funbound.plasma":0.04101,"DSSTox_Substance_Id":"DTXSID3042633","SMILES":"CN(C)CCCN1C2=CC(Cl)=CC=C2CCC2=C1C=CC=C2","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.03176,"Human.Funbound.plasma.High95":0.05286,"Human.Funbound.plasma.Point":0.03151,"MW":314.15498,"logP":4.649}
{"Compound":"Clopyralid","CAS":"1702-17-6","Human.Clint":0.93412,"Human.Clint.pValue":0.45396,"Human.Funbound.plasma":0.4385,"pKa_Accept":"","pKa_Donor":"3.20","DSSTox_Substance_Id":"DTXSID9029221","SMILES":"OC(=O)C1=C(Cl)C=CC(Cl)=N1","Human.Clint.Low95":0,"Human.Clint.High95":3.34736,"Human.Clint.Point":1.5575,"Human.Funbound.plasma.Low95":0.29303,"Human.Funbound.plasma.High95":0.55896,"Human.Funbound.plasma.Point":0.52972,"MW":190.95408,"logP":1.288}
{"Compound":"Clopyralid-olamine","CAS":"57754-85-5","Human.Clint":0,"Human.Clint.pValue":0.9996,"Human.Funbound.plasma":0.46437,"DSSTox_Substance_Id":"DTXSID6034265","SMILES":"OC(=O)C1=C(Cl)C=CC(Cl)=N1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.37412,"Human.Funbound.plasma.High95":0.56813,"Human.Funbound.plasma.Point":0.59621,"MW":190.95408,"logP":1.288}
{"Compound":"Cloquintocet-mexyl","CAS":"99607-70-2","Human.Funbound.plasma":0.00252,"pKa_Accept":"2.03","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID3041794","SMILES":"CCCCCC(C)OC(=O)COC1=CC=C(Cl)C2=CC=CN=C12","Human.Funbound.plasma.Low95":0.00123,"Human.Funbound.plasma.High95":0.00743,"Human.Funbound.plasma.Point":0.0002,"MW":335.12882,"logP":4.198}
{"Compound":"Clorophene","CAS":"120-32-1","Human.Clint":4.53158,"Human.Clint.pValue":0,"Human.Funbound.plasma":2.56402e-06,"pKa_Accept":"","pKa_Donor":"9.06","DSSTox_Substance_Id":"DTXSID5020154","SMILES":"OC1=C(CC2=CC=CC=C2)C=C(Cl)C=C1","Human.Clint.Low95":0.81212,"Human.Clint.High95":14.53344,"Human.Clint.Point":73.29205,"Human.Funbound.plasma.Low95":2.52271e-13,"Human.Funbound.plasma.High95":0.97869,"Human.Funbound.plasma.Point":43.43543,"MW":218.04984,"logP":3.402}
{"Compound":"Clotrimazole","CAS":"23593-75-1","Human.Clint":77.082,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.00936,"pKa_Accept":"6.62","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID7029871","SMILES":"ClC1=C(C=CC=C1)C(N1C=CN=C1)(C1=CC=CC=C1)C1=CC=CC=C1","Human.Clint.Low95":50.64498,"Human.Clint.High95":94.85842,"Human.Clint.Point":50.97763,"Human.Funbound.plasma.Low95":0.00785,"Human.Funbound.plasma.High95":0.01403,"Human.Funbound.plasma.Point":0.00577,"MW":344.10803,"logP":3.645}
{"Compound":"Corticosterone","CAS":"50-22-6","Human.Clint":12.12817,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.13674,"pKa_Accept":"","pKa_Donor":"13.86","DSSTox_Substance_Id":"DTXSID6022474","SMILES":"CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)CO","Human.Clint.Low95":4.60035,"Human.Clint.High95":16.82872,"Human.Clint.Point":17.03068,"Human.Funbound.plasma.Low95":0.11087,"Human.Funbound.plasma.High95":0.17635,"Human.Funbound.plasma.Point":0.13167,"MW":346.21441,"logP":2.209}
{"Compound":"Cotinine","CAS":"486-56-6","Human.Clint":0,"Human.Clint.pValue":0.98666,"Human.Funbound.plasma":5.77556e-07,"pKa_Accept":"4.79","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID1047576","SMILES":"CN1C(CCC1=O)C1=CN=CC=C1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":2.62572e-13,"Human.Funbound.plasma.High95":0.96604,"Human.Funbound.plasma.Point":0.485,"MW":176.09496,"logP":0.148}
{"Compound":"Coumaphos","CAS":"56-72-4","Human.Clint":31.6722,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.00399,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID2020347","SMILES":"CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(C)=C(Cl)C(=O)O2","Human.Clint.Low95":12.06582,"Human.Clint.High95":47.74155,"Human.Clint.Point":31.27259,"Human.Funbound.plasma.Low95":0.00245,"Human.Funbound.plasma.High95":0.44078,"Human.Funbound.plasma.Point":0.06975,"MW":362.01446,"logP":3.648}
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{"Compound":"Cyfluthrin","CAS":"68359-37-5","Human.Clint":23.8097,"Human.Clint.pValue":0,"Human.Funbound.plasma":1.88575e-08,"pKa_Accept":"","pKa_Donor":"10.31","DSSTox_Substance_Id":"DTXSID5035957","SMILES":"CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)C1=CC=C(F)C(OC2=CC=CC=C2)=C1","Human.Clint.Low95":9.17563,"Human.Clint.High95":935.41865,"Human.Clint.Point":19.72997,"Human.Funbound.plasma.Low95":1.96444e-13,"Human.Funbound.plasma.High95":0.00414,"MW":433.06478,"logP":6.2}
{"Compound":"Cymoxanil","CAS":"57966-95-7","Human.Clint":32.7991,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.43777,"pKa_Accept":"","pKa_Donor":"7.39","DSSTox_Substance_Id":"DTXSID6032358","SMILES":"CCNC(=O)NC(=O)C(=NOC)C#N","Human.Clint.Low95":3.08422,"Human.Clint.High95":655.5976,"Human.Funbound.plasma.Low95":0.4017,"Human.Funbound.plasma.High95":0.5035,"Human.Funbound.plasma.Point":0.4985,"MW":198.07529,"logP":-0.082}
{"Compound":"Cyproterone acetate","CAS":"427-51-0","Human.Clint":4.46032,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.05867,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID5020366","SMILES":"CC(=O)OC1(CCC2C3C=C(Cl)C4=CC(=O)C5CC5C4(C)C3CCC12C)C(C)=O","Human.Clint.Low95":1.92384,"Human.Clint.High95":7.16093,"Human.Clint.Point":5.91867,"Human.Funbound.plasma.Low95":0.03716,"Human.Funbound.plasma.High95":0.10219,"Human.Funbound.plasma.Point":0.03396,"MW":416.17544,"logP":2.939}
{"Compound":"Cytarabine hydrochloride","CAS":"69-74-9","Human.Clint":16.77084,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.9639,"pKa_Accept":"","pKa_Donor":"12.55,13.93,14.79","DSSTox_Substance_Id":"DTXSID5024891","SMILES":"NC1=NC(=O)N(C=C1)C1OC(CO)C(O)C1O","Human.Clint.Low95":6.80001,"Human.Clint.High95":34.31164,"Human.Clint.Point":25.13574,"Human.Funbound.plasma.Low95":0.79285,"Human.Funbound.plasma.High95":0.98907,"Human.Funbound.plasma.Point":1.46462,"MW":243.08552,"logP":-2.208}
{"Compound":"Daidzein","CAS":"486-66-8","Human.Clint":15.39875,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.06067,"pKa_Accept":"","pKa_Donor":"6.48,8.96","DSSTox_Substance_Id":"DTXSID9022310","SMILES":"OC1=CC=C(C=C1)C1=COC2=C(C=CC(O)=C2)C1=O","Human.Clint.Low95":10.29074,"Human.Clint.High95":20.20425,"Human.Clint.Point":30.04996,"Human.Funbound.plasma.Low95":0.05119,"Human.Funbound.plasma.High95":0.07705,"Human.Funbound.plasma.Point":0.04031,"MW":254.05791,"logP":3.002}
{"Compound":"Daminozide","CAS":"1596-84-5","Human.Clint":2.29012,"Human.Clint.pValue":0.0157,"Human.Funbound.plasma":0.93991,"pKa_Accept":"2.19","pKa_Donor":"4.50,12.49","DSSTox_Substance_Id":"DTXSID9020370","SMILES":"CN(C)NC(=O)CCC(O)=O","Human.Clint.Low95":0.67245,"Human.Clint.High95":4.82558,"Human.Clint.Point":3.59547,"Human.Funbound.plasma.Low95":0.64554,"Human.Funbound.plasma.High95":0.98849,"Human.Funbound.plasma.Point":1.11436,"MW":160.08479,"logP":-0.679}
{"Compound":"Dapsone","CAS":"80-08-0","Human.Clint":0,"Human.Clint.pValue":0.9066,"Human.Funbound.plasma":0.29352,"pKa_Accept":"2.39,1.57","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID4020371","SMILES":"NC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(N)C=C1","Human.Clint.Low95":0,"Human.Clint.High95":1.49683,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.16963,"Human.Funbound.plasma.High95":0.49586,"Human.Funbound.plasma.Point":0.2944,"MW":248.06195,"logP":0.479}
{"Compound":"Darbufelone mesylate","CAS":"139340-56-0","Human.Clint":0,"Human.Clint.pValue":0.99082,"Human.Funbound.plasma":0.00583,"DSSTox_Substance_Id":"DTXSID0047246","SMILES":"CC(C)(C)C1=CC(C=C2SC(=N)NC2=O)=CC(=C1O)C(C)(C)C","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.00402,"Human.Funbound.plasma.High95":0.01244,"Human.Funbound.plasma.Point":0.00174,"MW":332.15585,"logP":3.648}
{"Compound":"Decamethylcyclopentasiloxane","CAS":"541-02-6","Human.Clint":0,"Human.Clint.pValue":0.99954,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID1027184","SMILES":"C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"MW":370.09396,"logP":7.991}
{"Compound":"Deethylatrazine","CAS":"6190-65-4","Human.Clint":0,"Human.Clint.pValue":0.61152,"Human.Funbound.plasma":0.48359,"pKa_Accept":"3.38","pKa_Donor":"14.64","DSSTox_Substance_Id":"DTXSID5037494","SMILES":"CC(C)NC1=NC(Cl)=NC(N)=N1","Human.Clint.Low95":0,"Human.Clint.High95":1247.0023,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.43966,"Human.Funbound.plasma.High95":0.55313,"Human.Funbound.plasma.Point":0.55522,"MW":187.06247,"logP":1.715}
{"Compound":"Denatonium saccharide","CAS":"90823-38-4","Human.Clint":0,"Human.Clint.pValue":0.99974,"Human.Funbound.plasma":0.48802,"DSSTox_Substance_Id":"DTXSID9034361","SMILES":"O=C(Nc1c(cccc1C)C)C[N+](Cc2ccccc2)(CC)CC.[O-]C(=O)c1ccccc1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":-1.92988,"Human.Funbound.plasma.Low95":0.42564,"Human.Funbound.plasma.High95":0.58235,"Human.Funbound.plasma.Point":0.51625,"MW":325.22799,"logP":4.882}
{"Compound":"Dexamethasone sodium phosphate","CAS":"2392-39-4","Human.Clint":9.62937,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.09576,"DSSTox_Substance_Id":"DTXSID3047429","SMILES":"CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COP(O)(O)=O","Human.Clint.Low95":3.44937,"Human.Clint.High95":14.11037,"Human.Clint.Point":11.95978,"Human.Funbound.plasma.Low95":0.05888,"Human.Funbound.plasma.High95":0.16736,"Human.Funbound.plasma.Point":0.07004,"MW":472.16623,"logP":1.555}
{"Compound":"Diazinon","CAS":"333-41-5","Human.Clint":30.494,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.03882,"pKa_Accept":"4.18","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID9020407","SMILES":"CCOP(=S)(OCC)OC1=NC(=NC(C)=C1)C(C)C","Human.Clint.Low95":13.69745,"Human.Clint.High95":38.96701,"Human.Clint.Point":31.5386,"Human.Funbound.plasma.Low95":0.03192,"Human.Funbound.plasma.High95":0.04746,"Human.Funbound.plasma.Point":0.03179,"MW":304.10105,"logP":3.378}
{"Compound":"Dibutyl decanedioate","CAS":"109-43-3","Human.Clint":134.3403,"Human.Clint.pValue":0,"Human.Funbound.plasma":6.54363e-08,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID1041847","SMILES":"CCCCOC(=O)CCCCCCCCC(=O)OCCCC","Human.Clint.Low95":114.84272,"Human.Clint.High95":205.53445,"Human.Clint.Point":157.28349,"Human.Funbound.plasma.Low95":1.92865e-13,"Human.Funbound.plasma.High95":0.02114,"Human.Funbound.plasma.Point":0,"MW":314.24571,"logP":5.738}
{"Compound":"Dichlorophen","CAS":"97-23-4","Human.Clint":13.17114,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.00463,"pKa_Accept":"","pKa_Donor":"7.22,10.86","DSSTox_Substance_Id":"DTXSID6021824","SMILES":"OC1=CC=C(Cl)C=C1CC1=CC(Cl)=CC=C1O","Human.Clint.Low95":4.2306,"Human.Clint.High95":54.35063,"Human.Clint.Point":55.06973,"Human.Funbound.plasma.Low95":0.00361,"Human.Funbound.plasma.High95":0.00991,"Human.Funbound.plasma.Point":0.00156,"MW":268.00578,"logP":3.694}
{"Compound":"Dichlorvos","CAS":"62-73-7","Human.Clint":86.3776,"Human.Clint.pValue":0,"Human.Funbound.plasma":4.13111e-08,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID5020449","SMILES":"COP(=O)(OC)OC=C(Cl)Cl","Human.Clint.Low95":12.22996,"Human.Clint.High95":1179.8386,"Human.Funbound.plasma.Low95":1.66443e-13,"Human.Funbound.plasma.High95":0.009,"Human.Funbound.plasma.Point":0.92727,"MW":219.9459,"logP":1.353}
{"Compound":"Diclofenac sodium","CAS":"15307-79-6","Human.Clint":35.6224,"Human.Clint.pValue":0,"Human.Funbound.plasma":1.19283e-06,"pKa_Accept":"","pKa_Donor":"4.00","DSSTox_Substance_Id":"DTXSID3037208","SMILES":"OC(=O)CC1=C(NC2=C(Cl)C=CC=C2Cl)C=CC=C1","Human.Clint.Low95":29.31979,"Human.Clint.High95":38.66521,"Human.Clint.Point":37.94386,"Human.Funbound.plasma.Low95":2.22577e-13,"Human.Funbound.plasma.High95":0.93154,"Human.Funbound.plasma.Point":-0.10382,"MW":295.01668,"logP":3.807}
{"Compound":"Dicofol","CAS":"115-32-2","Human.Clint":27.8147,"Human.Clint.pValue":0.00052,"Human.Funbound.plasma":1.50158e-08,"pKa_Accept":"","pKa_Donor":"11.03","DSSTox_Substance_Id":"DTXSID4020450","SMILES":"OC(C1=CC=C(Cl)C=C1)(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl","Human.Clint.Low95":11.2503,"Human.Clint.High95":829.15925,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":1.58818e-13,"Human.Funbound.plasma.High95":0.00191,"Human.Funbound.plasma.Point":0,"MW":367.9096,"logP":5.111}
{"Compound":"Diethylene glycol dibenzoate","CAS":"120-55-8","Human.Clint":843.083,"Human.Clint.pValue":0,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID0026967","SMILES":"O=C(OCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1","Human.Clint.Low95":209.6904,"Human.Clint.High95":1309.8048,"Human.Clint.Point":51.35995,"MW":314.11542,"logP":2.359}
{"Compound":"Diethylstilbestrol","CAS":"56-53-1","Human.Clint":39.4638,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.00916,"pKa_Accept":"","pKa_Donor":"9.13,9.73","DSSTox_Substance_Id":"DTXSID3020465","SMILES":"CCC(=C(CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1","Human.Clint.Low95":19.10832,"Human.Clint.High95":51.58662,"Human.Clint.Point":23.83437,"Human.Funbound.plasma.Low95":0.00467,"Human.Funbound.plasma.High95":0.02255,"Human.Funbound.plasma.Point":0.00234,"MW":268.14633,"logP":3.859}
{"Compound":"Difenoconazole","CAS":"119446-68-3","Human.Clint":30.6023,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.01095,"pKa_Accept":"2.24","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID4032372","SMILES":"CC1COC(CN2C=NC=N2)(O1)C1=C(Cl)C=C(OC2=CC=C(Cl)C=C2)C=C1","Human.Clint.Low95":18.16507,"Human.Clint.High95":36.85301,"Human.Clint.Point":34.69035,"Human.Funbound.plasma.Low95":0.00742,"Human.Funbound.plasma.High95":0.02254,"Human.Funbound.plasma.Point":0.0043,"MW":405.0647,"logP":3.078}
{"Compound":"Diflubenzuron","CAS":"35367-38-5","Human.Clint":0,"Human.Clint.pValue":0.99522,"Human.Funbound.plasma":0.03077,"pKa_Accept":"","pKa_Donor":"6.30,14.30","DSSTox_Substance_Id":"DTXSID1024049","SMILES":"FC1=CC=CC(F)=C1C(=O)NC(=O)NC1=CC=C(Cl)C=C1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.01874,"Human.Funbound.plasma.High95":0.0533,"Human.Funbound.plasma.Point":0.01356,"MW":310.03206,"logP":3.271}
{"Compound":"Dihexyl phthalate","CAS":"84-75-3","Human.Clint":27.7184,"Human.Clint.pValue":0,"Human.Funbound.plasma":3.17508e-06,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID6025068","SMILES":"CCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCC","Human.Clint.Low95":15.69845,"Human.Clint.High95":108.29511,"Human.Clint.Point":24.34113,"Human.Funbound.plasma.Low95":2.22398e-13,"Human.Funbound.plasma.High95":0.96959,"Human.Funbound.plasma.Point":0.35603,"MW":334.21441,"logP":5.599}
{"Compound":"Diisobutyl adipate","CAS":"141-04-8","Human.Clint":864.534,"Human.Clint.pValue":0,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID9036690","SMILES":"CC(C)COC(=O)CCCCC(=O)OCC(C)C","Human.Clint.Low95":197.70516,"Human.Clint.High95":1307.9765,"Human.Clint.Point":56.30277,"MW":258.18311,"logP":3.878}
{"Compound":"Diisobutyl phthalate","CAS":"84-69-5","Human.Clint":344.812,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.0007,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID9022522","SMILES":"CC(C)COC(=O)C1=C(C=CC=C1)C(=O)OCC(C)C","Human.Clint.Low95":205.11765,"Human.Clint.High95":453.98865,"Human.Clint.Point":48.05945,"Human.Funbound.plasma.Low95":2.54268e-13,"Human.Funbound.plasma.High95":0.14074,"Human.Funbound.plasma.Point":-0.07637,"MW":278.15181,"logP":4.327}
{"Compound":"Dimethipin","CAS":"55290-64-7","Human.Funbound.plasma":0.93566,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID0024052","SMILES":"CC1=C(C)S(=O)(=O)CCS1(=O)=O","Human.Funbound.plasma.Low95":0.64931,"Human.Funbound.plasma.High95":0.98842,"Human.Funbound.plasma.Point":1.07081,"MW":210.00205,"logP":0.033}
{"Compound":"Dimethoxane","CAS":"828-00-2","Human.Clint":862.599,"Human.Clint.pValue":0,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID6020480","SMILES":"CC1CC(OC(C)=O)OC(C)O1","Human.Clint.Low95":256.77965,"Human.Clint.High95":1310.75645,"MW":174.08921,"logP":1.275}
{"Compound":"Dipentyl phthalate","CAS":"131-18-0","Human.Clint":300.835,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.09824,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID5031131","SMILES":"CCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCC","Human.Clint.Low95":108.722,"Human.Clint.High95":1238.43265,"Human.Clint.Point":26.1835,"Human.Funbound.plasma.Low95":0.02712,"Human.Funbound.plasma.High95":0.21023,"Human.Funbound.plasma.Point":0.03196,"MW":306.18311,"logP":4.423}
{"Compound":"Diphenamid","CAS":"957-51-7","Human.Clint":0,"Human.Clint.pValue":0.9876,"Human.Funbound.plasma":0.30029,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID8024072","SMILES":"CN(C)C(=O)C(C1=CC=CC=C1)C1=CC=CC=C1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":6.39087,"Human.Funbound.plasma.Low95":0.21917,"Human.Funbound.plasma.High95":0.40461,"Human.Funbound.plasma.Point":0.34116,"MW":239.13101,"logP":2.812}
{"Compound":"Diphenolic acid","CAS":"126-00-1","Human.Clint":0,"Human.Clint.pValue":0.97102,"Human.Funbound.plasma":0.16359,"pKa_Accept":"","pKa_Donor":"4.22,9.19,9.80","DSSTox_Substance_Id":"DTXSID0022436","SMILES":"CC(CCC(O)=O)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1","Human.Clint.Low95":0,"Human.Clint.High95":1.37635,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.11898,"Human.Funbound.plasma.High95":0.22807,"Human.Funbound.plasma.Point":0.14545,"MW":286.12051,"logP":3.639}
{"Compound":"Diphenyl phthalate","CAS":"84-62-8","Human.Clint":584.348,"Human.Clint.pValue":0,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID3021778","SMILES":"O=C(OC1=CC=CC=C1)C1=CC=CC=C1C(=O)OC1=CC=CC=C1","Human.Clint.Low95":372.6599,"Human.Clint.High95":1304.5821,"Human.Clint.Point":85.08622,"MW":318.08921,"logP":3.666}
{"Compound":"Dipropyl 2,5-pyridinedicarboxylate","CAS":"136-45-8","Human.Clint":592.0405,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.87829,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID8032544","SMILES":"CCCOC(=O)C1=CC=C(N=C1)C(=O)OCCC","Human.Clint.Low95":236.25075,"Human.Clint.High95":947.62045,"Human.Clint.Point":117.61634,"Human.Funbound.plasma.Low95":0.44465,"Human.Funbound.plasma.High95":0.98828,"Human.Funbound.plasma.Point":74.26211,"MW":251.11576,"logP":2.547}
{"Compound":"Dipropyl phthalate","CAS":"131-16-8","Human.Clint":858.311,"Human.Clint.pValue":0,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID5031133","SMILES":"CCCOC(=O)C1=C(C=CC=C1)C(=O)OCCC","Human.Clint.Low95":253.93745,"Human.Clint.High95":1309.83605,"Human.Clint.Point":52.18145,"MW":250.12051,"logP":2.84}
{"Compound":"Diquat dibromide monohydrate","CAS":"6385-62-2","Human.Clint":0,"Human.Clint.pValue":0.9992,"Human.Funbound.plasma":0.9665,"DSSTox_Substance_Id":"DTXSID7031248","SMILES":"C1C[N+]2=C(C=CC=C2)C2=CC=CC=[N+]12","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.85067,"Human.Funbound.plasma.High95":0.98901,"Human.Funbound.plasma.Point":1.05696,"MW":184.10005,"logP":1.874}
{"Compound":"Disulfiram","CAS":"97-77-8","Human.Clint":0,"Human.Clint.pValue":0.541,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID1021322","SMILES":"CCN(CC)C(=S)SSC(=S)N(CC)CC","Human.Clint.Low95":0,"Human.Clint.High95":1257.2882,"Human.Clint.Point":0,"MW":296.05093,"logP":3.117}
{"Compound":"Disulfoton","CAS":"298-04-4","Human.Clint":412.253,"Human.Clint.pValue":0,"Human.Funbound.plasma":1.27022e-06,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID0022018","SMILES":"CCOP(=S)(OCC)SCCSCC","Human.Clint.Low95":153.59556,"Human.Clint.High95":1259.03,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":2.4943e-13,"Human.Funbound.plasma.High95":0.96653,"Human.Funbound.plasma.Point":0.25539,"MW":274.02848,"logP":3.711}
{"Compound":"dl-Norgestrel","CAS":"6533-00-2","Human.Clint":11.02308,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.03957,"DSSTox_Substance_Id":"DTXSID3047477","SMILES":"CCC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C","Human.Clint.Low95":2.57767,"Human.Clint.High95":16.35194,"Human.Clint.Point":15.8486,"Human.Funbound.plasma.Low95":0.02212,"Human.Funbound.plasma.High95":0.07881,"Human.Funbound.plasma.Point":-0.14425,"MW":312.20893,"logP":3.062}
{"Compound":"Docusate sodium","CAS":"577-11-7","Human.Clint":49.762,"Human.Clint.pValue":0,"DSSTox_Substance_Id":"DTXSID8022959","SMILES":"CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(O)(=O)=O","Human.Clint.Low95":39.59636,"Human.Clint.High95":57.74704,"Human.Clint.Point":45.35958,"MW":422.23382,"logP":4.445}
{"Compound":"Dodecyltrimethylammonium chloride","CAS":"112-00-5","Human.Clint":16.18072,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.03668,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID1026900","SMILES":"CCCCCCCCCCCC[N+](C)(C)C","Human.Clint.Low95":10.0481,"Human.Clint.High95":21.10061,"Human.Clint.Point":20.88144,"Human.Funbound.plasma.Low95":0.02701,"Human.Funbound.plasma.High95":0.04571,"Human.Funbound.plasma.Point":0.03329,"MW":228.26913,"logP":-0.262}
{"Compound":"E-Cinnamic acid","CAS":"140-10-3","Human.Funbound.plasma":0.04989,"pKa_Accept":"","pKa_Donor":"4.71","DSSTox_Substance_Id":"DTXSID5022489","SMILES":"OC(=O)C=CC1=CC=CC=C1","Human.Funbound.plasma.Low95":0.04295,"Human.Funbound.plasma.High95":0.05915,"Human.Funbound.plasma.Point":0.04657,"MW":148.05243,"logP":1.673}
{"Compound":"Econazole nitrate","CAS":"24169-02-6","Human.Clint":6.02487,"Human.Clint.pValue":0.00192,"Human.Funbound.plasma":0.00563,"pKa_Accept":"6.77","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID6025226","SMILES":"ClC1=CC=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1","Human.Clint.Low95":0.67117,"Human.Clint.High95":16.56143,"Human.Clint.Point":16.1373,"Human.Funbound.plasma.Low95":0.00232,"Human.Funbound.plasma.High95":0.01661,"Human.Funbound.plasma.Point":0.00059,"MW":380.025,"logP":3.391}
{"Compound":"Elzasonan","CAS":"361343-19-3","Human.Clint":21.131,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.03282,"pKa_Accept":"7.79","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID7047277","SMILES":"CN1CCN(CC1)C1=CC=CC=C1C=C1SCCN(C1=O)C1=CC(Cl)=C(Cl)C=C1","Human.Clint.Low95":16.87413,"Human.Clint.High95":26.2506,"Human.Clint.Point":26.39976,"Human.Funbound.plasma.Low95":0.01751,"Human.Funbound.plasma.High95":0.06122,"Human.Funbound.plasma.Point":0.00248,"MW":447.09389,"logP":3.585}
{"Compound":"Enadoline","CAS":"124378-77-4","Human.Clint":3.35934,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.26125,"pKa_Accept":"9.74","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID4047258","SMILES":"CN(C1CCC2(CCCO2)CC1N1CCCC1)C(=O)CC1=C2C=COC2=CC=C1","Human.Clint.Low95":0.88658,"Human.Clint.High95":5.90449,"Human.Clint.Point":5.78474,"Human.Funbound.plasma.Low95":0.17494,"Human.Funbound.plasma.High95":0.40295,"Human.Funbound.plasma.Point":0.33583,"MW":396.24129,"logP":3.996}
{"Compound":"Endothal","CAS":"145-73-3","Human.Clint":0,"Human.Clint.pValue":0.99896,"Human.Funbound.plasma":0.8704,"DSSTox_Substance_Id":"DTXSID7024081","SMILES":"OC(=O)C1C2CCC(O2)C1C(O)=O","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.54646,"Human.Funbound.plasma.High95":0.98777,"Human.Funbound.plasma.Point":1.2599,"MW":186.05282,"logP":1.035}
{"Compound":"Enterolactone","CAS":"78473-71-9","Human.Clint":139.2417,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.03214,"pKa_Accept":"","pKa_Donor":"9.16,9.77","DSSTox_Substance_Id":"DTXSID0048183","SMILES":"OC1=CC=CC(CC2COC(=O)C2CC2=CC(O)=CC=C2)=C1","Human.Clint.Low95":99.44236,"Human.Clint.High95":164.01924,"Human.Clint.Point":74.8965,"Human.Funbound.plasma.Low95":3.05177e-13,"Human.Funbound.plasma.High95":0.1368,"Human.Funbound.plasma.Point":0.0453,"MW":298.12051,"logP":2.49}
{"Compound":"Eosin","CAS":"17372-87-1","Human.Clint":0,"Human.Clint.pValue":0.99914,"Human.Funbound.plasma":0.05129,"pKa_Accept":"1.98","pKa_Donor":"3.39,4.01","DSSTox_Substance_Id":"DTXSID0025234","SMILES":"OC(=O)C1=C(C=CC=C1)C1=C2C=C(Br)C(=O)C(Br)=C2OC2=C(Br)C(O)=C(Br)C=C12","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.02353,"Human.Funbound.plasma.High95":0.1045,"Human.Funbound.plasma.Point":0.0375,"MW":643.71052,"logP":4.486}
{"Compound":"Epoxiconazole","CAS":"133855-98-8","Human.Clint":0,"Human.Clint.pValue":0.99504,"Human.Funbound.plasma":0.05752,"pKa_Accept":"2.26","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID1040372","SMILES":"FC1=CC=C(C=C1)C1(CN2C=NC=N2)OC1C1=C(Cl)C=CC=C1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.04347,"Human.Funbound.plasma.High95":0.08522,"Human.Funbound.plasma.Point":0.04876,"MW":329.07312,"logP":3.072}
{"Compound":"Equilin","CAS":"474-86-2","Human.Clint":9.74172,"Human.Clint.pValue":0.04796,"Human.Funbound.plasma":0.05834,"pKa_Accept":"","pKa_Donor":"9.41","DSSTox_Substance_Id":"DTXSID7047433","SMILES":"CC12CCC3C(=CCC4=C3C=CC(O)=C4)C1CCC2=O","Human.Clint.Low95":0,"Human.Clint.High95":15.42772,"Human.Clint.Point":11.28092,"Human.Funbound.plasma.Low95":0.04771,"Human.Funbound.plasma.High95":0.07868,"Human.Funbound.plasma.Point":0.04229,"MW":268.14633,"logP":3.281}
{"Compound":"Esfenvalerate","CAS":"66230-04-4","Human.Clint":0,"Human.Clint.pValue":0.9779,"Human.Funbound.plasma":6.13956e-08,"DSSTox_Substance_Id":"DTXSID4032667","SMILES":"CC(C)C(C(=O)OC(C#N)C1=CC=CC(OC2=CC=CC=C2)=C1)C1=CC=C(Cl)C=C1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":1.70692e-13,"Human.Funbound.plasma.High95":0.0079,"Human.Funbound.plasma.Point":0,"MW":419.12882,"logP":6.311}
{"Compound":"Estrone","CAS":"53-16-7","Human.Clint":0,"Human.Clint.pValue":0.83354,"Human.Funbound.plasma":0.03095,"pKa_Accept":"","pKa_Donor":"10.33","DSSTox_Substance_Id":"DTXSID4022367","SMILES":"CC12CCC3C(CCC4=C3C=CC(O)=C4)C1CCC2=O","Human.Clint.Low95":0,"Human.Clint.High95":8.2742,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.02161,"Human.Funbound.plasma.High95":0.04706,"Human.Funbound.plasma.Point":0.01546,"MW":270.16198,"logP":3.247}
{"Compound":"Ethion","CAS":"563-12-2","Human.Funbound.plasma":2.08401e-08,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID2024086","SMILES":"CCOP(=S)(OCC)SCSP(=S)(OCC)OCC","Human.Funbound.plasma.Low95":2.06601e-13,"Human.Funbound.plasma.High95":0.00382,"Human.Funbound.plasma.Point":0.00052,"MW":383.98762,"logP":4.465}
{"Compound":"Exifone","CAS":"52479-85-3","Human.Clint":28.1448,"Human.Clint.pValue":0,"Human.Funbound.plasma":1.99776e-08,"pKa_Accept":"","pKa_Donor":"7.08,7.70,8.92","DSSTox_Substance_Id":"DTXSID9044950","SMILES":"OC1=CC=C(C(=O)C2=CC(O)=C(O)C(O)=C2)C(O)=C1O","Human.Clint.Low95":12.58141,"Human.Clint.High95":39.82921,"Human.Clint.Point":31.38893,"Human.Funbound.plasma.Low95":1.78616e-13,"Human.Funbound.plasma.High95":0.00298,"Human.Funbound.plasma.Point":0.4,"MW":278.04265,"logP":1.139}
{"Compound":"Fabesetron hydrochloride","CAS":"129299-90-7","Human.Clint":7.55798,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.03077,"pKa_Accept":"7.11","pKa_Donor":"13.51","DSSTox_Substance_Id":"DTXSID7048168","SMILES":"CC1=C(CC2CCC3=C(C)C4=CC=CC=C4N3C2=O)NC=N1","Human.Clint.Low95":2.32902,"Human.Clint.High95":9.95117,"Human.Clint.Point":9.19029,"Human.Funbound.plasma.Low95":0.02497,"Human.Funbound.plasma.High95":0.04051,"Human.Funbound.plasma.Point":0.01305,"MW":293.15281,"logP":1.127}
{"Compound":"Famoxadone","CAS":"131807-57-3","Human.Clint":16.39936,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.00947,"pKa_Accept":"","pKa_Donor":"14.26","DSSTox_Substance_Id":"DTXSID8034588","SMILES":"CC1(OC(=O)N(NC2=CC=CC=C2)C1=O)C1=CC=C(OC2=CC=CC=C2)C=C1","Human.Clint.Low95":8.21848,"Human.Clint.High95":21.66684,"Human.Clint.Point":20.47098,"Human.Funbound.plasma.Low95":0.00388,"Human.Funbound.plasma.High95":0.02686,"Human.Funbound.plasma.Point":0.00078,"MW":374.12666,"logP":3.875}
{"Compound":"FD&C Green No. 3","CAS":"2353-45-9","Human.Clint":0,"Human.Clint.pValue":0.99914,"Human.Funbound.plasma":0.01507,"pKa_Accept":"3.50","pKa_Donor":"-2.39,-1.89,-1.38","DSSTox_Substance_Id":"DTXSID3020673","SMILES":"CCN(CC1=CC(=CC=C1)S(O)(=O)=O)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC1=CC(=CC=C1)S(O)(=O)=O)C1=C(C=C(O)C=C1)S(O)(=O)=O","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.01154,"Human.Funbound.plasma.High95":0.01981,"Human.Funbound.plasma.Point":0.01049,"MW":765.16103,"logP":5.082}
{"Compound":"FD&C Yellow 6","CAS":"2783-94-0","Human.Clint":18.9208,"Human.Clint.pValue":0.01874,"Human.Funbound.plasma":1.68924e-07,"pKa_Accept":"","pKa_Donor":"-2.81,-2.16,11.83","DSSTox_Substance_Id":"DTXSID6021456","SMILES":"OC1=CC=C2C=C(C=CC2=C1N=NC1=CC=C(C=C1)S(O)(=O)=O)S(O)(=O)=O","Human.Clint.Low95":2.70665,"Human.Clint.High95":56.70704,"Human.Clint.Point":29.91652,"Human.Funbound.plasma.Low95":1.73258e-13,"Human.Funbound.plasma.High95":0.78401,"Human.Funbound.plasma.Point":1.58718,"MW":408.00859,"logP":1.648}
{"Compound":"Fenbuconazole","CAS":"114369-43-6","Human.Clint":21.7001,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.01836,"pKa_Accept":"2.27","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID8032548","SMILES":"ClC1=CC=C(CCC(CN2C=NC=N2)(C#N)C2=CC=CC=C2)C=C1","Human.Clint.Low95":11.714,"Human.Clint.High95":26.33041,"Human.Clint.Point":24.78934,"Human.Funbound.plasma.Low95":0.01508,"Human.Funbound.plasma.High95":0.02816,"Human.Funbound.plasma.Point":0.00547,"MW":336.11417,"logP":2.346}
{"Compound":"Fenofibrate","CAS":"49562-28-9","Human.Clint":562.731,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.00138,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID2029874","SMILES":"CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1","Human.Clint.Low95":254.2867,"Human.Clint.High95":1266.05455,"Human.Clint.Point":53.43268,"Human.Funbound.plasma.Low95":0.00051,"Human.Funbound.plasma.High95":0.00453,"Human.Funbound.plasma.Point":0.00006,"MW":360.11284,"logP":3.768}
{"Compound":"Fenoxaprop-(2S)-ethyl","CAS":"113776-20-8","Human.Clint":722.615,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.00246,"DSSTox_Substance_Id":"DTXSID0040755","SMILES":"CCOC(=O)C(C)OC1=CC=C(OC2=NC3=C(O2)C=C(Cl)C=C3)C=C1","Human.Clint.Low95":442.8478,"Human.Clint.High95":1320.4581,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.00095,"Human.Funbound.plasma.High95":0.00598,"Human.Funbound.plasma.Point":0.00129,"MW":361.0717,"logP":4.2}
{"Compound":"Fenoxaprop-P-ethyl","CAS":"71283-80-2","Human.Clint":519.097,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.00698,"DSSTox_Substance_Id":"DTXSID2034598","SMILES":"CCOC(=O)C(C)OC1=CC=C(OC2=NC3=C(O2)C=C(Cl)C=C3)C=C1","Human.Clint.Low95":288.39595,"Human.Clint.High95":1269.94655,"Human.Clint.Point":769.05134,"Human.Funbound.plasma.Low95":0.00443,"Human.Funbound.plasma.High95":0.01297,"Human.Funbound.plasma.Point":0.00028,"MW":361.0717,"logP":4.2}
{"Compound":"Fenpropathrin","CAS":"39515-41-8","Human.Clint":19.65492,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.00424,"pKa_Accept":"","pKa_Donor":"10.62","DSSTox_Substance_Id":"DTXSID0024002","SMILES":"CC1(C)C(C(=O)OC(C#N)C2=CC=CC(OC3=CC=CC=C3)=C2)C1(C)C","Human.Clint.Low95":11.41478,"Human.Clint.High95":31.3107,"Human.Clint.Point":28.17468,"Human.Funbound.plasma.Low95":0.00144,"Human.Funbound.plasma.High95":0.01591,"Human.Funbound.plasma.Point":0,"MW":349.16779,"logP":4.216}
{"Compound":"Fenpyroximate (Z,E)","CAS":"111812-58-9","Human.Clint":16.80668,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.00336,"pKa_Accept":"2.52","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID2032550","SMILES":"CN1N=C(C)C(C=NOCC2=CC=C(C=C2)C(=O)OC(C)(C)C)=C1OC1=CC=CC=C1","Human.Clint.Low95":5.40536,"Human.Clint.High95":26.17626,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.00293,"Human.Funbound.plasma.High95":0.00387,"Human.Funbound.plasma.Point":0.00003,"MW":421.20016,"logP":4.411}
{"Compound":"Fenuron","CAS":"101-42-8","Human.Clint":2.88668,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.56476,"pKa_Accept":"","pKa_Donor":"13.47","DSSTox_Substance_Id":"DTXSID7037551","SMILES":"CN(C)C(=O)NC1=CC=CC=C1","Human.Clint.Low95":1.71242,"Human.Clint.High95":3.6624,"Human.Clint.Point":3.25349,"Human.Funbound.plasma.Low95":0.52007,"Human.Funbound.plasma.High95":0.64933,"Human.Funbound.plasma.Point":0.67883,"MW":164.09496,"logP":1.154}
{"Compound":"Fluazifop-butyl","CAS":"69806-50-4","Human.Clint":400.669,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.01597,"pKa_Accept":"0.80","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID3034612","SMILES":"CCCCOC(=O)C(C)OC1=CC=C(OC2=CC=C(C=N2)C(F)(F)F)C=C1","Human.Clint.Low95":216.14165,"Human.Clint.High95":675.2132,"Human.Clint.Point":95.14814,"Human.Funbound.plasma.Low95":0.01299,"Human.Funbound.plasma.High95":0.01992,"Human.Funbound.plasma.Point":0.00012,"MW":383.13444,"logP":4.159}
{"Compound":"Flufenpyr-ethyl","CAS":"188489-07-8","Human.Clint":374.98,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.68976,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID3034618","SMILES":"CCOC(=O)COC1=CC(N2N=CC(=C(C)C2=O)C(F)(F)F)=C(F)C=C1Cl","Human.Clint.Low95":328.3437,"Human.Clint.High95":412.6021,"Human.Clint.Point":125.91482,"Human.Funbound.plasma.Low95":0.34441,"Human.Funbound.plasma.High95":0.98671,"Human.Funbound.plasma.Point":2.3659,"MW":408.05,"logP":4.441}
{"Compound":"Flumiclorac-pentyl","CAS":"87546-18-7","Human.Clint":431.765,"Human.Clint.pValue":0,"pKa_Accept":"1.00","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID2032554","SMILES":"CCCCCOC(=O)COC1=C(Cl)C=C(F)C(=C1)N1C(=O)C2=C(CCCC2)C1=O","Human.Clint.Low95":260.2238,"Human.Clint.High95":1263.80125,"Human.Clint.Point":0,"MW":423.12488,"logP":4.169}
{"Compound":"Fluorescein","CAS":"2321-07-5","Human.Clint":0,"Human.Clint.pValue":0.99964,"Human.Funbound.plasma":0.1514,"DSSTox_Substance_Id":"DTXSID0038887","SMILES":"OC1=CC2=C(C=C1)C1(OC(=O)C3=C1C=CC=C3)C1=C(O2)C=C(O)C=C1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.0955,"Human.Funbound.plasma.High95":0.25046,"Human.Funbound.plasma.Point":0.13467,"MW":332.06847,"logP":2.531}
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{"Compound":"Geranyl acetate","CAS":"105-87-3","Human.Clint":823.46,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.1959,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID0020654","SMILES":"CC(C)=CCCC(C)=CCOC(C)=O","Human.Clint.Low95":223.8518,"Human.Clint.High95":1307.3735,"Human.Funbound.plasma.Low95":0.11245,"Human.Funbound.plasma.High95":0.39631,"Human.Funbound.plasma.Point":0.36351,"MW":196.14633,"logP":4.105}
{"Compound":"Haloxyfop-methyl","CAS":"69806-40-2","Human.Clint":466.798,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.00728,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID6024123","SMILES":"COC(=O)C(C)OC1=CC=C(OC2=NC=C(C=C2Cl)C(F)(F)F)C=C1","Human.Clint.Low95":257.3233,"Human.Clint.High95":619.1826,"Human.Clint.Point":57.80836,"Human.Funbound.plasma.Low95":0.00472,"Human.Funbound.plasma.High95":0.01276,"Human.Funbound.plasma.Point":0.00193,"MW":375.04852,"logP":4.293}
{"Compound":"Heptachlor epoxide","CAS":"1024-57-3","Human.Clint":0,"Human.Clint.pValue":0.99828,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID1024126","SMILES":"ClC1C2OC2C2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"MW":385.81601,"logP":5.191}
{"Compound":"Hexachlorocyclopentadiene","CAS":"77-47-4","Human.Clint":0,"Human.Clint.pValue":0.99544,"Human.Funbound.plasma":3.96471e-07,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID2020688","SMILES":"ClC1=C(Cl)C(Cl)(Cl)C(Cl)=C1Cl","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":1.81862e-13,"Human.Funbound.plasma.High95":0.03391,"Human.Funbound.plasma.Point":-0.03495,"MW":269.81312,"logP":4.811}
{"Compound":"Hexachlorophene","CAS":"70-30-4","Human.Clint":0,"Human.Clint.pValue":0.9988,"Human.Funbound.plasma":1.00091e-08,"pKa_Accept":"","pKa_Donor":"5.15,8.79","DSSTox_Substance_Id":"DTXSID6020690","SMILES":"OC1=C(CC2=C(Cl)C(Cl)=CC(Cl)=C2O)C(Cl)=C(Cl)C=C1Cl","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":1.67756e-13,"Human.Funbound.plasma.High95":0.00066,"Human.Funbound.plasma.Point":0.00002,"MW":403.8499,"logP":4.824}
{"Compound":"Hydramethylnon","CAS":"67485-29-4","Human.Clint":4.37939,"Human.Clint.pValue":0.00596,"Human.Funbound.plasma":1.36893e-08,"pKa_Accept":"6.03","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID6023868","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","Human.Clint.Low95":1.87761,"Human.Clint.High95":6.83638,"Human.Clint.Point":4.95645,"Human.Funbound.plasma.Low95":1.61027e-13,"Human.Funbound.plasma.High95":0.00129,"Human.Funbound.plasma.Point":-0.00024,"MW":494.19052,"logP":3.388}
{"Compound":"Hydrochlorothiazide","CAS":"58-93-5","Human.Clint":0,"Human.Clint.pValue":0.99768,"Human.Funbound.plasma":0.27482,"pKa_Accept":"","pKa_Donor":"9.09,9.83,11.31","DSSTox_Substance_Id":"DTXSID2020713","SMILES":"NS(=O)(=O)C1=CC2=C(NCNS2(=O)=O)C=C1Cl","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.2235,"Human.Funbound.plasma.High95":0.33375,"Human.Funbound.plasma.Point":0.18216,"MW":296.96448,"logP":0.116}
{"Compound":"Hydroxyflutamide","CAS":"52806-53-8","Human.Clint":0,"Human.Clint.pValue":0.99368,"Human.Funbound.plasma":0.16662,"pKa_Accept":"","pKa_Donor":"11.79,13.99","DSSTox_Substance_Id":"DTXSID8033562","SMILES":"CC(C)(O)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.13982,"Human.Funbound.plasma.High95":0.21163,"Human.Funbound.plasma.Point":0.17049,"MW":292.06709,"logP":2.077}
{"Compound":"Hydroxyprogesterone caproate","CAS":"630-56-8","Human.Clint":194.9515,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.01693,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID6043915","SMILES":"CCCCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)=O","Human.Clint.Low95":115.74912,"Human.Clint.High95":255.5469,"Human.Clint.Point":55.01785,"Human.Funbound.plasma.Low95":0.00901,"Human.Funbound.plasma.High95":0.03266,"Human.Funbound.plasma.Point":0.00745,"MW":428.29266,"logP":5.498}
{"Compound":"Hydroxyurea","CAS":"127-07-1","Human.Funbound.plasma":5.26802e-06,"pKa_Accept":"","pKa_Donor":"10.14,13.96","DSSTox_Substance_Id":"DTXSID6025438","SMILES":"NC(=O)NO","Human.Funbound.plasma.Low95":2.4653e-13,"Human.Funbound.plasma.High95":0.0871,"Human.Funbound.plasma.Point":0.15253,"MW":76.02728,"logP":-1.247}
{"Compound":"Ilepatril","CAS":"473289-62-2","Human.Clint":5.55029,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.31745,"pKa_Accept":"","pKa_Donor":"3.60,12.36","DSSTox_Substance_Id":"DTXSID7047356","SMILES":"CC(C)C(SC(C)=O)C(=O)NC1CC2=C(C=CC=C2)C2CCCC(N2C1=O)C(O)=O","Human.Clint.Low95":1.72686,"Human.Clint.High95":11.10949,"Human.Clint.Point":13.38709,"Human.Funbound.plasma.Low95":0.18496,"Human.Funbound.plasma.High95":0.47589,"Human.Funbound.plasma.Point":0.38644,"MW":432.17189,"logP":2.439}
{"Compound":"Indomethacin","CAS":"53-86-1","Human.Clint":9.34795,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.00994,"pKa_Accept":"","pKa_Donor":"3.80","DSSTox_Substance_Id":"DTXSID9020740","SMILES":"COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(O)=O","Human.Clint.Low95":6.10004,"Human.Clint.High95":11.3765,"Human.Clint.Point":11.32159,"Human.Funbound.plasma.Low95":0.00571,"Human.Funbound.plasma.High95":0.02316,"Human.Funbound.plasma.Point":0.0028,"MW":357.07679,"logP":3.161}
{"Compound":"Ingliforib","CAS":"186392-65-4","Human.Clint":2.08676,"Human.Clint.pValue":0.02342,"Human.Funbound.plasma":0.02346,"pKa_Accept":"","pKa_Donor":"12.06,12.68,13.55","DSSTox_Substance_Id":"DTXSID4047252","SMILES":"OC(C(CC1=CC=CC=C1)NC(=O)C1=CC2=CC(Cl)=CC=C2N1)C(=O)N1CC(O)C(O)C1","Human.Clint.Low95":0.51884,"Human.Clint.High95":3.19954,"Human.Clint.Point":2.31196,"Human.Funbound.plasma.Low95":0.01333,"Human.Funbound.plasma.High95":0.04431,"Human.Funbound.plasma.Point":0.00488,"MW":457.14045,"logP":1.051}
{"Compound":"Ipconazole","CAS":"125225-28-7","Human.Clint":101.0233,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.01307,"pKa_Accept":"2.27","pKa_Donor":"13.82","DSSTox_Substance_Id":"DTXSID7034674","SMILES":"CC(C)C1CCC(CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1","Human.Clint.Low95":91.95492,"Human.Clint.High95":113.66821,"Human.Clint.Point":100.45205,"Human.Funbound.plasma.Low95":0.00991,"Human.Funbound.plasma.High95":0.02172,"Human.Funbound.plasma.Point":0.0077,"MW":333.16079,"logP":3.858}
{"Compound":"Isofenphos","CAS":"25311-71-1","Human.Clint":158.0815,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.00967,"pKa_Accept":"","pKa_Donor":"9.76","DSSTox_Substance_Id":"DTXSID8032417","SMILES":"CCOP(=S)(NC(C)C)OC1=CC=CC=C1C(=O)OC(C)C","Human.Clint.Low95":48.73949,"Human.Clint.High95":229.76265,"Human.Clint.Point":60.82861,"Human.Funbound.plasma.Low95":0.00556,"Human.Funbound.plasma.High95":0.0214,"Human.Funbound.plasma.Point":0.00264,"MW":345.11637,"logP":3.818}
{"Compound":"Isophorone","CAS":"78-59-1","Human.Clint":18.70125,"Human.Clint.pValue":0,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID8020759","SMILES":"CC1=CC(=O)CC(C)(C)C1","Human.Clint.Low95":5.88854,"Human.Clint.High95":65.44708,"Human.Clint.Point":0,"MW":138.10447,"logP":2.416}
{"Compound":"Isopropalin","CAS":"33820-53-0","Human.Clint":12.46453,"Human.Clint.pValue":0,"Human.Funbound.plasma":3.01874e-08,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID8024157","SMILES":"CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)C(C)C)[N+]([O-])=O","Human.Clint.Low95":4.26897,"Human.Clint.High95":17.4883,"Human.Clint.Point":15.37482,"Human.Funbound.plasma.Low95":1.72337e-13,"Human.Funbound.plasma.High95":0.00652,"Human.Funbound.plasma.Point":9.62086e-06,"MW":309.16886,"logP":4.285}
{"Compound":"Isoproterenol hydrochloride","CAS":"51-30-9","Human.Clint":0,"Human.Clint.pValue":0.9962,"Human.Funbound.plasma":0.46006,"pKa_Accept":"8.96","pKa_Donor":"9.81,12.65,14.38","DSSTox_Substance_Id":"DTXSID6025486","SMILES":"CC(C)NCC(O)C1=CC=C(O)C(O)=C1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.27323,"Human.Funbound.plasma.High95":0.68243,"Human.Funbound.plasma.Point":0.55476,"MW":211.12084,"logP":0.614}
{"Compound":"Isoproturon","CAS":"34123-59-6","Human.Clint":0,"Human.Clint.pValue":0.9974,"Human.Funbound.plasma":0.25857,"pKa_Accept":"","pKa_Donor":"13.79","DSSTox_Substance_Id":"DTXSID1042077","SMILES":"CC(C)C1=CC=C(NC(=O)N(C)C)C=C1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Funbound.plasma.Low95":0.21453,"Human.Funbound.plasma.High95":0.32105,"Human.Funbound.plasma.Point":0.27627,"MW":206.14191,"logP":2.696}
{"Compound":"Isoxaben","CAS":"82558-50-7","Human.Clint":17.74647,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.07183,"pKa_Accept":"0.24","pKa_Donor":"10.30","DSSTox_Substance_Id":"DTXSID8024159","SMILES":"CCC(C)(CC)C1=NOC(NC(=O)C2=C(OC)C=CC=C2OC)=C1","Human.Clint.Low95":10.00738,"Human.Clint.High95":20.55343,"Human.Clint.Point":19.79416,"Human.Funbound.plasma.Low95":0.06344,"Human.Funbound.plasma.High95":0.08462,"Human.Funbound.plasma.Point":0.03139,"MW":332.17361,"logP":2.66}
{"Compound":"Laurocapram","CAS":"59227-89-3","Human.Clint":9.80247,"Human.Clint.pValue":0.00002,"Human.Funbound.plasma":0.00251,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID0042086","SMILES":"CCCCCCCCCCCCN1CCCCCC1=O","Human.Clint.Low95":4.74957,"Human.Clint.High95":14.14398,"Human.Clint.Point":9.51049,"Human.Funbound.plasma.Low95":0.00229,"Human.Funbound.plasma.High95":0.00262,"Human.Funbound.plasma.Point":0,"MW":281.27186,"logP":5.746}
{"Compound":"Lauryl gallate","CAS":"1166-52-5","Human.Clint":0,"Human.Clint.pValue":0.99774,"Human.Funbound.plasma":1.45982e-08,"pKa_Accept":"","pKa_Donor":"8.11,11.29,13.77","DSSTox_Substance_Id":"DTXSID0048189","SMILES":"CCCCCCCCCCCCOC(=O)C1=CC(O)=C(O)C(O)=C1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":1.77102e-13,"Human.Funbound.plasma.High95":0.00419,"Human.Funbound.plasma.Point":0.00211,"MW":338.20932,"logP":5.165}
{"Compound":"Leucomalachite green","CAS":"129-73-7","Human.Clint":0,"Human.Clint.pValue":0.87978,"Human.Funbound.plasma":1.76931e-08,"pKa_Accept":"5.17,4.56","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID7031531","SMILES":"CN(C)C1=CC=C(C=C1)C(C1=CC=CC=C1)C1=CC=C(C=C1)N(C)C","Human.Clint.Low95":0,"Human.Clint.High95":4.58394,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":1.78485e-13,"Human.Funbound.plasma.High95":0.0027,"Human.Funbound.plasma.Point":0,"MW":330.2096,"logP":5.156}
{"Compound":"Levothyroxine","CAS":"51-48-9","Human.Clint":0,"Human.Clint.pValue":0.9992,"Human.Funbound.plasma":2.75943e-08,"pKa_Accept":"9.43","pKa_Donor":"0.27,7.43","DSSTox_Substance_Id":"DTXSID8023214","SMILES":"NC(CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(O)=O","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":1.92399e-13,"Human.Funbound.plasma.High95":0.00441,"Human.Funbound.plasma.Point":-0.00365,"MW":776.6867,"logP":4.395}
{"Compound":"Lindane","CAS":"58-89-9","Human.Clint":0,"Human.Clint.pValue":0.989,"Human.Funbound.plasma":0.01601,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID2020686","SMILES":"ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.01029,"Human.Funbound.plasma.High95":0.03265,"Human.Funbound.plasma.Point":0.00693,"MW":287.86007,"logP":3.627}
{"Compound":"Loratadine","CAS":"79794-75-5","Human.Clint":33.9148,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.0091,"pKa_Accept":"4.33","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID2023224","SMILES":"CCOC(=O)N1CCC(CC1)=C1C2=C(CCC3=C1N=CC=C3)C=C(Cl)C=C2","Human.Clint.Low95":26.28388,"Human.Clint.High95":37.59862,"Human.Clint.Point":36.19065,"Human.Funbound.plasma.Low95":0.00556,"Human.Funbound.plasma.High95":0.02097,"Human.Funbound.plasma.Point":0.00332,"MW":382.14481,"logP":4.348}
{"Compound":"m-Cresol","CAS":"108-39-4","Human.Funbound.plasma":0.36083,"pKa_Accept":"","pKa_Donor":"10.13","DSSTox_Substance_Id":"DTXSID6024200","SMILES":"CC1=CC(O)=CC=C1","Human.Funbound.plasma.Low95":0.29076,"Human.Funbound.plasma.High95":0.45651,"Human.Funbound.plasma.Point":0.33654,"MW":108.05751,"logP":2.128}
{"Compound":"Malaoxon","CAS":"1634-78-2","Human.Clint":55.9331,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.54624,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID9020790","SMILES":"CCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCC","Human.Clint.Low95":49.66518,"Human.Clint.High95":61.029,"Human.Clint.Point":88.6572,"Human.Funbound.plasma.Low95":0.46328,"Human.Funbound.plasma.High95":0.80045,"Human.Funbound.plasma.Point":0.96789,"MW":314.05891,"logP":1.376}
{"Compound":"Malathion","CAS":"121-75-5","Human.Clint":367.725,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.10892,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID4020791","SMILES":"CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC","Human.Clint.Low95":149.38493,"Human.Clint.High95":1246.4468,"Human.Clint.Point":436.64197,"Human.Funbound.plasma.Low95":0.09708,"Human.Funbound.plasma.High95":0.12512,"Human.Funbound.plasma.Point":0.07273,"MW":330.03607,"logP":2.039}
{"Compound":"Maleic hydrazide","CAS":"123-33-1","Human.Clint":0,"Human.Clint.pValue":0.63144,"pKa_Accept":"","pKa_Donor":"10.38","DSSTox_Substance_Id":"DTXSID9020792","SMILES":"O=C1NNC(=O)C=C1","Human.Clint.Low95":0,"Human.Clint.High95":1239.11715,"MW":112.02728,"logP":-0.782}
{"Compound":"MEHP","CAS":"4376-20-9","Human.Clint":0,"Human.Clint.pValue":0.80504,"Human.Funbound.plasma":0.27105,"pKa_Accept":"","pKa_Donor":"3.08","DSSTox_Substance_Id":"DTXSID2025680","SMILES":"CCCCC(CC)COC(=O)C1=CC=CC=C1C(O)=O","Human.Clint.Low95":0,"Human.Clint.High95":14.27986,"Human.Clint.Point":15.82146,"Human.Funbound.plasma.Low95":1.69852e-12,"Human.Funbound.plasma.High95":0.97389,"Human.Funbound.plasma.Point":0.34377,"MW":278.15181,"logP":3.824}
{"Compound":"Melatonin","CAS":"73-31-4","Human.Clint":0,"Human.Clint.pValue":0.9982,"Human.Funbound.plasma":0.49913,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID1022421","SMILES":"COC1=CC2=C(NC=C2CCNC(C)=O)C=C1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.39777,"Human.Funbound.plasma.High95":0.6729,"Human.Funbound.plasma.Point":0.56336,"MW":232.12118,"logP":1.545}
{"Compound":"Melengestrol acetate","CAS":"2919-66-6","Human.Clint":41.4455,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.02296,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID5048184","SMILES":"CC(=O)OC1(C(C)=O)C(=C)CC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC12C","Human.Clint.Low95":30.38516,"Human.Clint.High95":47.8132,"Human.Clint.Point":47.81742,"Human.Funbound.plasma.Low95":0.0192,"Human.Funbound.plasma.High95":0.03031,"Human.Funbound.plasma.Point":0.01758,"MW":396.23006,"logP":3.537}
{"Compound":"meso-Hexestrol","CAS":"84-16-2","Human.Clint":14.03562,"Human.Clint.pValue":0.41022,"Human.Funbound.plasma":0.00683,"pKa_Accept":"","pKa_Donor":"9.93,10.53","DSSTox_Substance_Id":"DTXSID2022381","SMILES":"CCC(C(CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1","Human.Clint.Low95":0,"Human.Clint.High95":1058.05965,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.00292,"Human.Funbound.plasma.High95":0.02139,"Human.Funbound.plasma.Point":0.00054,"MW":270.16198,"logP":4.043}
{"Compound":"Metamitron","CAS":"41394-05-2","Human.Clint":0,"Human.Clint.pValue":0.99792,"Human.Funbound.plasma":0.69313,"pKa_Accept":"2.78","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID7047568","SMILES":"CC1=NN=C(C(=O)N1N)C1=CC=CC=C1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.54205,"Human.Funbound.plasma.High95":0.96875,"Human.Funbound.plasma.Point":0.89287,"MW":202.08546,"logP":0.922}
{"Compound":"Methamidophos","CAS":"10265-92-6","Human.Clint":0,"Human.Clint.pValue":0.99614,"Human.Funbound.plasma":0.43241,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID6024177","SMILES":"COP(N)(=O)SC","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":6.66017e-13,"Human.Funbound.plasma.High95":0.98678,"MW":141.00134,"logP":-0.721}
{"Compound":"Methenamine","CAS":"100-97-0","Human.Clint":0,"Human.Clint.pValue":0.9991,"Human.Funbound.plasma":0.35331,"pKa_Accept":"5.88,4.02,2.29","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID6020692","SMILES":"C1N2CN3CN1CN(C2)C3","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.1404,"Human.Funbound.plasma.High95":0.88928,"Human.Funbound.plasma.Point":0.45422,"MW":140.1062,"logP":-0.007}
{"Compound":"Methimazole","CAS":"60-56-0","Human.Clint":0,"Human.Clint.pValue":0.99508,"pKa_Accept":"0.82","pKa_Donor":"14.91","DSSTox_Substance_Id":"DTXSID4020820","SMILES":"CN1CC=NC1=S","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"MW":114.02517,"logP":0.405}
{"Compound":"Methomyl","CAS":"16752-77-5","Human.Clint":2.05402,"Human.Clint.pValue":0.00026,"Human.Funbound.plasma":0.7164,"pKa_Accept":"0.69","pKa_Donor":"14.00","DSSTox_Substance_Id":"DTXSID1022267","SMILES":"CNC(=O)ON=C(C)SC","Human.Clint.Low95":1.04646,"Human.Clint.High95":3.07169,"Human.Clint.Point":2.05307,"Human.Funbound.plasma.Low95":0.55792,"Human.Funbound.plasma.High95":0.90601,"Human.Funbound.plasma.Point":0.81279,"MW":162.0463,"logP":0.866}
{"Compound":"Methotrexate","CAS":"59-05-2","Human.Clint":0,"Human.Clint.pValue":0.99966,"Human.Funbound.plasma":0.43616,"pKa_Accept":"1.80,0.03","pKa_Donor":"3.26,4.11","DSSTox_Substance_Id":"DTXSID4020822","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","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":-3.44964,"Human.Funbound.plasma.Low95":0.3181,"Human.Funbound.plasma.High95":0.64984,"Human.Funbound.plasma.Point":0.37198,"MW":454.17132,"logP":-0.214}
{"Compound":"Methoxychlor","CAS":"72-43-5","Human.Clint":12.52119,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.01722,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID9020827","SMILES":"COC1=CC=C(C=C1)C(C1=CC=C(OC)C=C1)C(Cl)(Cl)Cl","Human.Clint.Low95":4.45332,"Human.Clint.High95":21.01841,"Human.Clint.Point":12.2569,"Human.Funbound.plasma.Low95":0.01126,"Human.Funbound.plasma.High95":0.0276,"Human.Funbound.plasma.Point":0.00451,"MW":344.01376,"logP":5.354}
{"Compound":"Methyl 2-aminobenzoate","CAS":"134-20-3","Human.Clint":245.863,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.17897,"pKa_Accept":"2.12","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID6025567","SMILES":"COC(=O)C1=C(N)C=CC=C1","Human.Clint.Low95":195.07138,"Human.Clint.High95":302.0502,"Human.Clint.Point":81.28724,"Human.Funbound.plasma.Low95":0.14819,"Human.Funbound.plasma.High95":0.22428,"Human.Funbound.plasma.Point":0.17402,"MW":151.06333,"logP":1.064}
{"Compound":"Methyl 2,4-dihydroxy-3,6-dimethylbenzoate","CAS":"4707-47-5","Human.Clint":268.274,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.03341,"pKa_Accept":"","pKa_Donor":"9.11,10.87","DSSTox_Substance_Id":"DTXSID9041653","SMILES":"COC(=O)C1=C(O)C(C)=C(O)C=C1C","Human.Clint.Low95":84.14548,"Human.Clint.High95":302.33405,"Human.Clint.Point":73.48992,"Human.Funbound.plasma.Low95":0.02793,"Human.Funbound.plasma.High95":0.03987,"Human.Funbound.plasma.Point":0.03423,"MW":196.07356,"logP":1.648}
{"Compound":"Methyl octanoate","CAS":"111-11-5","Human.Clint":817.136,"Human.Clint.pValue":0,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID2026864","SMILES":"CCCCCCCC(=O)OC","Human.Clint.Low95":173.74391,"Human.Clint.High95":1307.708,"MW":158.13068,"logP":3.513}
{"Compound":"Methyl red","CAS":"493-52-7","Human.Clint":11.10962,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.03033,"pKa_Accept":"3.79","pKa_Donor":"3.15","DSSTox_Substance_Id":"DTXSID1042154","SMILES":"CN(C)C1=CC=C(C=C1)N=NC1=CC=CC=C1C(O)=O","Human.Clint.Low95":5.6306,"Human.Clint.High95":16.41688,"Human.Clint.Point":15.46875,"Human.Funbound.plasma.Low95":0.02633,"Human.Funbound.plasma.High95":0.03657,"Human.Funbound.plasma.Point":0.01706,"MW":269.11643,"logP":2.479}
{"Compound":"Methyl salicylate","CAS":"119-36-8","Human.Clint":816.962,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.10714,"pKa_Accept":"","pKa_Donor":"9.72","DSSTox_Substance_Id":"DTXSID5025659","SMILES":"COC(=O)C1=C(O)C=CC=C1","Human.Clint.Low95":140.26002,"Human.Clint.High95":1308.47625,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.08497,"Human.Funbound.plasma.High95":0.1367,"Human.Funbound.plasma.Point":0.10255,"MW":152.04734,"logP":2.236}
{"Compound":"Methylene blue","CAS":"61-73-4","Human.Clint":13.88639,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.38188,"pKa_Accept":"2.44","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID0023296","SMILES":"CN(C)C1=CC2=[S+]C3=C(C=CC(=C3)N(C)C)N=C2C=C1","Human.Clint.Low95":8.53866,"Human.Clint.High95":15.70758,"Human.Clint.Point":15.1253,"Human.Funbound.plasma.Low95":0.23774,"Human.Funbound.plasma.High95":0.65131,"Human.Funbound.plasma.Point":0.40863,"MW":284.12214,"logP":2.991}
{"Compound":"Mevinphos","CAS":"7786-34-7","Human.Clint":4.70265,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.67823,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID7042481","SMILES":"COC(=O)C=C(C)OP(=O)(OC)OC","Human.Clint.Low95":2.98436,"Human.Clint.High95":6.07983,"Human.Clint.Point":5.65321,"Human.Funbound.plasma.Low95":0.51582,"Human.Funbound.plasma.High95":0.85782,"Human.Funbound.plasma.Point":0.83299,"MW":224.04497,"logP":0.07}
{"Compound":"Michler's ketone","CAS":"90-94-8","Human.Clint":39.1815,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.01008,"pKa_Accept":"3.73,3.12","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID2020894","SMILES":"CN(C)C1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)N(C)C","Human.Clint.Low95":30.80013,"Human.Clint.High95":44.91562,"Human.Clint.Point":37.17093,"Human.Funbound.plasma.Low95":0.00671,"Human.Funbound.plasma.High95":0.02155,"Human.Funbound.plasma.Point":0.00449,"MW":268.15756,"logP":3.063}
{"Compound":"Midazolam","CAS":"59467-70-8","Human.Clint":12.12447,"Human.Clint.pValue":0,"pKa_Accept":"6.57,3.48","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID5023320","SMILES":"CC1=NC=C2CN=C(C3=CC=CC=C3F)C3=CC(Cl)=CC=C3N12","Human.Clint.Low95":7.5934,"Human.Clint.High95":15.72987,"Human.Clint.Point":35.41589,"MW":325.0782,"logP":2.068}
{"Compound":"Mifepristone","CAS":"84371-65-3","Human.Clint":33.2446,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.01752,"pKa_Accept":"4.89","pKa_Donor":"12.87","DSSTox_Substance_Id":"DTXSID5023322","SMILES":"CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(CC12C)C1=CC=C(C=C1)N(C)C","Human.Clint.Low95":23.72734,"Human.Clint.High95":38.27503,"Human.Clint.Point":36.05453,"Human.Funbound.plasma.Low95":0.0126,"Human.Funbound.plasma.High95":0.02603,"Human.Funbound.plasma.Point":0.00315,"MW":429.26678,"logP":4.781}
{"Compound":"Minocycline hydrochloride","CAS":"13614-98-7","Human.Clint":0,"Human.Clint.pValue":0.99766,"Human.Funbound.plasma":0.2865,"DSSTox_Substance_Id":"DTXSID8044545","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","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":-43.66144,"Human.Funbound.plasma.Low95":2.62951e-12,"Human.Funbound.plasma.High95":0.93001,"Human.Funbound.plasma.Point":0.36957,"MW":457.1849,"logP":0.184}
{"Compound":"Monocrotophos","CAS":"6923-22-4","Human.Clint":1.48646,"Human.Clint.pValue":0.05952,"Human.Funbound.plasma":0.90517,"DSSTox_Substance_Id":"DTXSID9034816","SMILES":"CNC(=O)C=C(C)OP(=O)(OC)OC","Human.Clint.Low95":0,"Human.Clint.High95":2.62774,"Human.Clint.Point":2.25537,"Human.Funbound.plasma.Low95":0.63162,"Human.Funbound.plasma.High95":0.98763,"Human.Funbound.plasma.Point":0.99903,"MW":223.06096,"logP":-0.114}
{"Compound":"Monolinuron","CAS":"1746-81-2","Human.Clint":0,"Human.Clint.pValue":0.95752,"Human.Funbound.plasma":0.20581,"pKa_Accept":"","pKa_Donor":"12.12","DSSTox_Substance_Id":"DTXSID0037576","SMILES":"CON(C)C(=O)NC1=CC=C(Cl)C=C1","Human.Clint.Low95":0,"Human.Clint.High95":2.07003,"Human.Clint.Point":3.56728,"Human.Funbound.plasma.Low95":0.17581,"Human.Funbound.plasma.High95":0.25701,"Human.Funbound.plasma.Point":0.2058,"MW":214.05091,"logP":1.657}
{"Compound":"Monomethyl phthalate","CAS":"4376-18-5","Human.Clint":0,"Human.Clint.pValue":0.92444,"Human.Funbound.plasma":0.3801,"pKa_Accept":"","pKa_Donor":"3.09","DSSTox_Substance_Id":"DTXSID9040001","SMILES":"COC(=O)C1=C(C=CC=C1)C(O)=O","Human.Clint.Low95":0,"Human.Clint.High95":151.17065,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.1386,"Human.Funbound.plasma.High95":0.75401,"Human.Funbound.plasma.Point":0.35556,"MW":180.04226,"logP":1.847}
{"Compound":"Monotridecyl phosphate","CAS":"5116-94-9","Human.Clint":18.84764,"Human.Clint.pValue":0,"pKa_Accept":"","pKa_Donor":"1.81,6.83","DSSTox_Substance_Id":"DTXSID0042169","SMILES":"CCCCCCCCCCCCCOP(O)(O)=O","Human.Clint.Low95":8.97795,"Human.Clint.High95":26.24794,"Human.Clint.Point":26.98957,"MW":280.18035,"logP":2.161}
{"Compound":"Morin hydrate","CAS":"654055-01-3","Human.Clint":0,"Human.Clint.pValue":0.99758,"Human.Funbound.plasma":5.85427e-08,"DSSTox_Substance_Id":"DTXSID3040776","SMILES":"OC1=CC(O)=C(C=C1)C1OC2=C(C(O)=CC(O)=C2)C(=O)C1=O","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":1.73164e-13,"Human.Funbound.plasma.High95":0.01216,"Human.Funbound.plasma.Point":-0.07797,"MW":302.04265,"logP":1.623}
{"Compound":"N-Benzyladenine","CAS":"1214-39-7","Human.Clint":0,"Human.Clint.pValue":0.98704,"Human.Funbound.plasma":0.13826,"pKa_Accept":"1.18","pKa_Donor":"6.11","DSSTox_Substance_Id":"DTXSID7032630","SMILES":"C(NC1=C2N=CN=C2N=CN1)C1=CC=CC=C1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.12143,"Human.Funbound.plasma.High95":0.16478,"Human.Funbound.plasma.Point":0.13594,"MW":225.10145,"logP":0.554}
{"Compound":"N-Ethylaniline","CAS":"103-69-5","Human.Clint":21.7648,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.21392,"pKa_Accept":"4.91","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID1025271","SMILES":"CCNC1=CC=CC=C1","Human.Clint.Low95":17.25509,"Human.Clint.High95":24.801,"Human.Clint.Point":23.89673,"Human.Funbound.plasma.Low95":0.19176,"Human.Funbound.plasma.High95":0.24106,"Human.Funbound.plasma.Point":0.21432,"MW":121.08915,"logP":2.135}
{"Compound":"N-Methyl-2-pyrrolidone","CAS":"872-50-4","Human.Funbound.plasma":0.88917,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID6020856","SMILES":"CN1CCCC1=O","Human.Funbound.plasma.Low95":0.5348,"Human.Funbound.plasma.High95":0.98814,"Human.Funbound.plasma.Point":1.10888,"MW":99.06841,"logP":-0.215}
{"Compound":"N-Phenyl-1-naphthylamine","CAS":"90-30-2","Human.Clint":98.1683,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.00134,"pKa_Accept":"0.34","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID2025892","SMILES":"N(C1=CC=CC=C1)C1=C2C=CC=CC2=CC=C1","Human.Clint.Low95":14.00676,"Human.Clint.High95":271.38115,"Human.Clint.Point":24.63627,"Human.Funbound.plasma.Low95":0.00112,"Human.Funbound.plasma.High95":0.00165,"Human.Funbound.plasma.Point":0.00009,"MW":219.1048,"logP":4.063}
{"Compound":"N-Vinyl-2-pyrrolidone","CAS":"88-12-0","Human.Clint":0,"Human.Clint.pValue":0.99894,"Human.Funbound.plasma":0.9499,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID2021440","SMILES":"C=CN1CCCC1=O","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.70137,"Human.Funbound.plasma.High95":0.98881,"Human.Funbound.plasma.Point":17.41719,"MW":111.06841,"logP":0.077}
{"Compound":"N,N-Dimethyldodecan-1-amine","CAS":"112-18-5","Human.Clint":34.2446,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.00669,"pKa_Accept":"9.79","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID1026906","SMILES":"CCCCCCCCCCCCN(C)C","Human.Clint.Low95":23.64135,"Human.Clint.High95":46.17803,"Human.Clint.Point":32.53422,"Human.Funbound.plasma.Low95":0.00257,"Human.Funbound.plasma.High95":0.03946,"Human.Funbound.plasma.Point":-0.00034,"MW":213.24565,"logP":1.284}
{"Compound":"N,N,N',N'-Tetrakis(2-Hydroxypropyl)ethylenediamine","CAS":"102-60-3","Human.Clint":0,"Human.Clint.pValue":0.99602,"pKa_Accept":"9.50,5.53","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID9026689","SMILES":"CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"MW":292.23621,"logP":0.304}
{"Compound":"N,N,N-Trimethyl(oxiran-2-yl)methanaminium chloride","CAS":"3033-77-0","Human.Clint":0,"Human.Clint.pValue":0.99972,"Human.Funbound.plasma":0.51961,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID1044643","SMILES":"C[N+](C)(C)CC1CO1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.23873,"Human.Funbound.plasma.High95":0.98136,"Human.Funbound.plasma.Point":0.26817,"MW":116.10754,"logP":0.243}
{"Compound":"Naphthalen-2-yl 2-aminobenzoate","CAS":"63449-68-3","Human.Clint":845.847,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.00777,"pKa_Accept":"2.07","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID7047697","SMILES":"NC1=C(C=CC=C1)C(=O)OC1=CC2=C(C=CC=C2)C=C1","Human.Clint.Low95":247.22505,"Human.Clint.High95":1309.86315,"Human.Clint.Point":663.47666,"Human.Funbound.plasma.Low95":0.00231,"Human.Funbound.plasma.High95":0.02959,"Human.Funbound.plasma.Point":0.00007,"MW":263.09463,"logP":3.674}
{"Compound":"Nelivaptan","CAS":"439687-69-1","Human.Clint":35.282,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.06075,"pKa_Accept":"3.74","pKa_Donor":"14.81","DSSTox_Substance_Id":"DTXSID7047358","SMILES":"COC1=CC=C(C(OC)=C1)S(=O)(=O)N1C(=O)C(N2CC(O)CC2C(=O)N(C)C)(C2=CC(Cl)=CC=C12)C1=CC=CC=C1OC","Human.Clint.Low95":28.47425,"Human.Clint.High95":39.55383,"Human.Clint.Point":36.62642,"Human.Funbound.plasma.Low95":0.04973,"Human.Funbound.plasma.High95":0.07453,"Human.Funbound.plasma.Point":0.03914,"MW":629.15986,"logP":2.707}
{"Compound":"Nicotine","CAS":"54-11-5","Human.Clint":4.43737,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.40443,"pKa_Accept":"8.86,2.70","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID1020930","SMILES":"CN1CCCC1C1=CN=CC=C1","Human.Clint.Low95":2.14843,"Human.Clint.High95":7.30406,"Human.Clint.Point":5.81993,"Human.Funbound.plasma.Low95":0.30372,"Human.Funbound.plasma.High95":0.5492,"Human.Funbound.plasma.Point":0.39364,"MW":162.1157,"logP":1.477}
{"Compound":"Nicotinic acid","CAS":"59-67-6","Human.Clint":3.53973,"Human.Clint.pValue":0.04766,"Human.Funbound.plasma":0.5981,"DSSTox_Substance_Id":"DTXSID1020932","SMILES":"OC(=O)C1=CC=CN=C1","Human.Clint.Low95":0,"Human.Clint.High95":7.65557,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.52606,"Human.Funbound.plasma.High95":0.69927,"Human.Funbound.plasma.Point":0.69941,"MW":123.03203,"logP":0.001}
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{"Compound":"Nitrapyrin","CAS":"1929-82-4","Human.Clint":237.822,"Human.Clint.pValue":0,"Human.Funbound.plasma":6.07259e-08,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID0024216","SMILES":"ClC1=CC=CC(=N1)C(Cl)(Cl)Cl","Human.Clint.Low95":26.42993,"Human.Clint.High95":1281.6906,"Human.Funbound.plasma.Low95":1.79245e-13,"Human.Funbound.plasma.High95":0.02314,"Human.Funbound.plasma.Point":0.00151,"MW":228.90196,"logP":2.956}
{"Compound":"Nitrofurantoin","CAS":"67-20-9","Human.Clint":0,"Human.Clint.pValue":0.99842,"Human.Funbound.plasma":0.41329,"pKa_Accept":"","pKa_Donor":"9.23,14.89","DSSTox_Substance_Id":"DTXSID7020972","SMILES":"[O-][N+](=O)C1=CC=C(O1)C=NN1CC(=O)NC1=O","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.23816,"Human.Funbound.plasma.High95":0.89162,"Human.Funbound.plasma.Point":0.38259,"MW":238.03382,"logP":-0.345}
{"Compound":"Nitrofurazone","CAS":"59-87-0","Human.Clint":0,"Human.Clint.pValue":0.99072,"Human.Funbound.plasma":0.86403,"pKa_Accept":"","pKa_Donor":"11.79","DSSTox_Substance_Id":"DTXSID5020944","SMILES":"NC(=O)N=NCC1=CC=C(O1)[N+]([O-])=O","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.46533,"Human.Funbound.plasma.High95":0.98731,"Human.Funbound.plasma.Point":0.98427,"MW":198.0389,"logP":0.181}
{"Compound":"Nootkatone","CAS":"4674-50-4","Human.Clint":172.4822,"Human.Clint.pValue":0,"Human.Funbound.plasma":6.98797e-08,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID8047050","SMILES":"CC1CC(=O)C=C2CCC(CC12C)C(C)=C","Human.Clint.Low95":131.61429,"Human.Clint.High95":202.18605,"Human.Clint.Point":72.61499,"Human.Funbound.plasma.Low95":2.08777e-13,"Human.Funbound.plasma.High95":0.01447,"Human.Funbound.plasma.Point":0.00691,"MW":218.16707,"logP":3.982}
{"Compound":"Nordihydroguaiaretic acid","CAS":"500-38-9","Human.Clint":269.549,"Human.Clint.pValue":0,"Human.Funbound.plasma":6.8751e-08,"pKa_Accept":"","pKa_Donor":"9.21,9.81,12.66","DSSTox_Substance_Id":"DTXSID5022437","SMILES":"CC(CC1=CC(O)=C(O)C=C1)C(C)CC1=CC=C(O)C(O)=C1","Human.Clint.Low95":74.47958,"Human.Clint.High95":472.03025,"Human.Clint.Point":462.18484,"Human.Funbound.plasma.Low95":1.78688e-13,"Human.Funbound.plasma.High95":0.01804,"Human.Funbound.plasma.Point":-0.024,"MW":302.15181,"logP":3.481}
{"Compound":"Norethindrone","CAS":"68-22-4","Human.Clint":0,"Human.Clint.pValue":0.51472,"Human.Funbound.plasma":0.05272,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID9023380","SMILES":"CC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C","Human.Clint.Low95":0,"Human.Clint.High95":9.85599,"Human.Clint.Point":8.89369,"Human.Funbound.plasma.Low95":0.04425,"Human.Funbound.plasma.High95":0.06431,"Human.Funbound.plasma.Point":0.04076,"MW":298.19328,"logP":2.919}
{"Compound":"Norgestrel","CAS":"797-63-7","Human.Clint":9.88706,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.03718,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID3036496","SMILES":"CCC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C","Human.Clint.Low95":5.23971,"Human.Clint.High95":13.58082,"Human.Clint.Point":10.21242,"Human.Funbound.plasma.Low95":0.03181,"Human.Funbound.plasma.High95":0.04307,"Human.Funbound.plasma.Point":0.03403,"MW":312.20893,"logP":3.062}
{"Compound":"o,p'-DDT","CAS":"789-02-6","Human.Clint":15.29307,"Human.Clint.pValue":0,"Human.Funbound.plasma":1.20476e-08,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID6022345","SMILES":"ClC1=CC=C(C=C1)C(C1=CC=CC=C1Cl)C(Cl)(Cl)Cl","Human.Clint.Low95":8.77446,"Human.Clint.High95":21.78441,"Human.Clint.Point":15.90265,"Human.Funbound.plasma.Low95":1.63339e-13,"Human.Funbound.plasma.High95":0.0016,"Human.Funbound.plasma.Point":0,"MW":351.91469,"logP":5.882}
{"Compound":"Octabenzone","CAS":"1843-05-6","Human.Clint":806.58,"Human.Clint.pValue":0.01182,"Human.Funbound.plasma":1.90765e-08,"pKa_Accept":"","pKa_Donor":"7.07","DSSTox_Substance_Id":"DTXSID9027441","SMILES":"CCCCCCCCOC1=CC(O)=C(C=C1)C(=O)C1=CC=CC=C1","Human.Clint.Low95":123.70847,"Human.Clint.High95":1306.4222,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":1.89248e-13,"Human.Funbound.plasma.High95":0.00114,"Human.Funbound.plasma.Point":0,"MW":326.18819,"logP":6.144}
{"Compound":"Octrizole","CAS":"3147-75-9","Human.Clint":5.87391,"Human.Clint.pValue":0.00188,"Human.Funbound.plasma":0.02236,"pKa_Accept":"","pKa_Donor":"9.54","DSSTox_Substance_Id":"DTXSID9027522","SMILES":"CC(C)(C)CC(C)(C)C1=CC(N2N=C3C=CC=CC3=N2)=C(O)C=C1","Human.Clint.Low95":2.63348,"Human.Clint.High95":10.65213,"Human.Clint.Point":8.52927,"Human.Funbound.plasma.Low95":0.0127,"Human.Funbound.plasma.High95":0.04035,"Human.Funbound.plasma.Point":0.01583,"MW":323.19976,"logP":4.326}
{"Compound":"Octyl gallate","CAS":"1034-01-1","Human.Clint":230.438,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.00034,"pKa_Accept":"","pKa_Donor":"8.11,11.29,13.77","DSSTox_Substance_Id":"DTXSID4040713","SMILES":"CCCCCCCCOC(=O)C1=CC(O)=C(O)C(O)=C1","Human.Clint.Low95":100.51037,"Human.Clint.High95":1154.3029,"Human.Clint.Point":73.01002,"Human.Funbound.plasma.Low95":2.48912e-13,"Human.Funbound.plasma.High95":0.98291,"Human.Funbound.plasma.Point":0.3994,"MW":282.14672,"logP":3.375}
{"Compound":"Oleyl sarcosine","CAS":"110-25-8","Human.Clint":41.6768,"Human.Clint.pValue":0,"Human.Funbound.plasma":3.27246e-08,"pKa_Accept":"","pKa_Donor":"4.12","DSSTox_Substance_Id":"DTXSID5042243","SMILES":"CCCCCCCCC=CCCCCCCCC(=O)N(C)CC(O)=O","Human.Clint.Low95":30.10635,"Human.Clint.High95":61.92746,"Human.Clint.Point":37.60761,"Human.Funbound.plasma.Low95":1.92998e-13,"Human.Funbound.plasma.High95":0.00565,"Human.Funbound.plasma.Point":-0.00066,"MW":353.29299,"logP":5.37}
{"Compound":"Oxadiazon","CAS":"19666-30-9","Human.Clint":0,"Human.Clint.pValue":0.98494,"Human.Funbound.plasma":0.00316,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID3024239","SMILES":"CC(C)OC1=CC(N2N=C(OC2=O)C(C)(C)C)=C(Cl)C=C1Cl","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":14.84625,"Human.Funbound.plasma.Low95":9.28449e-13,"Human.Funbound.plasma.High95":0.01414,"Human.Funbound.plasma.Point":-0.00075,"MW":344.06945,"logP":4.697}
{"Compound":"Oxyphenisatin","CAS":"125-13-3","Human.Clint":0,"Human.Clint.pValue":0.90008,"Human.Funbound.plasma":0.02651,"pKa_Accept":"","pKa_Donor":"9.18,9.78,12.80","DSSTox_Substance_Id":"DTXSID5044528","SMILES":"OC1=CC=C(C=C1)C1(C(=O)NC2=CC=CC=C12)C1=CC=C(O)C=C1","Human.Clint.Low95":0,"Human.Clint.High95":9.86287,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.02206,"Human.Funbound.plasma.High95":0.03482,"Human.Funbound.plasma.Point":0.02209,"MW":317.10519,"logP":3.324}
{"Compound":"p-Xylenol blue","CAS":"125-31-5","Human.Clint":0,"Human.Clint.pValue":0.99906,"Human.Funbound.plasma":0.02613,"pKa_Accept":"","pKa_Donor":"9.62,10.22","DSSTox_Substance_Id":"DTXSID8026303","SMILES":"CC1=CC(=C(C)C=C1O)C1(OS(=O)(=O)C2=C1C=CC=C2)C1=C(C)C=C(O)C(C)=C1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.02497,"Human.Funbound.plasma.High95":0.02777,"Human.Funbound.plasma.Point":0.01849,"MW":410.11879,"logP":3.45}
{"Compound":"p,p'-DDE","CAS":"72-55-9","Human.Clint":198.8104,"Human.Clint.pValue":0,"Human.Funbound.plasma":1.52543e-06,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID9020374","SMILES":"ClC(Cl)=C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1","Human.Clint.Low95":22.94213,"Human.Clint.High95":1189.4823,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":2.4629e-13,"Human.Funbound.plasma.High95":0.97849,"Human.Funbound.plasma.Point":0.4,"MW":315.93801,"logP":6.157}
{"Compound":"p,p'-DDT","CAS":"50-29-3","Human.Clint":12.46933,"Human.Clint.pValue":0,"Human.Funbound.plasma":3.68423e-08,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID4020375","SMILES":"ClC1=CC=C(C=C1)C(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl","Human.Clint.Low95":5.43164,"Human.Clint.High95":18.76867,"Human.Clint.Point":18.08853,"Human.Funbound.plasma.Low95":1.76914e-13,"Human.Funbound.plasma.High95":0.00776,"Human.Funbound.plasma.Point":0,"MW":351.91469,"logP":5.885}
{"Compound":"Paraoxon","CAS":"311-45-5","Human.Clint":0,"Human.Clint.pValue":0.99546,"Human.Funbound.plasma":0.46056,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID6024046","SMILES":"CCOP(=O)(OCC)OC1=CC=C(C=C1)[N+]([O-])=O","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.41061,"Human.Funbound.plasma.High95":0.51846,"Human.Funbound.plasma.Point":0.46814,"MW":275.05587,"logP":2.178}
{"Compound":"PD-0333941","CAS":"501027-49-2","Human.Clint":3.39733,"Human.Clint.pValue":0.00006,"Human.Funbound.plasma":0.00432,"pKa_Accept":"0.93","pKa_Donor":"4.34","DSSTox_Substance_Id":"DTXSID2047307","SMILES":"CC1=C(CCOC2=CC=CC3=C2C=CN3CCC(O)=O)N=C(O1)C1=CC=CC=C1","Human.Clint.Low95":1.58527,"Human.Clint.High95":5.59936,"Human.Clint.Point":4.57181,"Human.Funbound.plasma.Low95":0.00309,"Human.Funbound.plasma.High95":0.00939,"Human.Funbound.plasma.Point":0.00088,"MW":390.15796,"logP":3.798}
{"Compound":"Pebulate","CAS":"1114-71-2","Human.Clint":159.4765,"Human.Clint.pValue":0,"Human.Funbound.plasma":5.99122e-08,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID8021199","SMILES":"CCCCN(CC)C(=O)SCCC","Human.Clint.Low95":28.21868,"Human.Clint.High95":256.5903,"Human.Clint.Point":35.84134,"Human.Funbound.plasma.Low95":1.88733e-13,"Human.Funbound.plasma.High95":0.01429,"Human.Funbound.plasma.Point":0.00462,"MW":203.13439,"logP":3.795}
{"Compound":"Pentachlorobenzene","CAS":"608-93-5","Human.Clint":16.36526,"Human.Clint.pValue":0,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID7024247","SMILES":"ClC1=CC(Cl)=C(Cl)C(Cl)=C1Cl","Human.Clint.Low95":8.43482,"Human.Clint.High95":38.46461,"Human.Clint.Point":14.70207,"MW":247.85209,"logP":4.006}
{"Compound":"Pentachloronitrobenzene","CAS":"82-68-8","Human.Clint":818.55,"Human.Clint.pValue":0,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID2021105","SMILES":"[O-][N+](=O)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl","Human.Clint.Low95":185.43131,"Human.Clint.High95":1307.50605,"MW":292.83717,"logP":4.586}
{"Compound":"Pentachloropyridine","CAS":"2176-62-7","Human.Clint":362.466,"Human.Clint.pValue":0.00062,"Human.Funbound.plasma":4.38878e-08,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID2022179","SMILES":"ClC1=NC(Cl)=C(Cl)C(Cl)=C1Cl","Human.Clint.Low95":6.91856,"Human.Clint.High95":1248.8568,"Human.Funbound.plasma.Low95":1.68474e-13,"Human.Funbound.plasma.High95":0.00845,"Human.Funbound.plasma.Point":0,"MW":248.84734,"logP":3.666}
{"Compound":"Perfluoroundecanoic acid","CAS":"2058-94-8","Human.Funbound.plasma":9.53376e-09,"pKa_Accept":"","pKa_Donor":"-5.20","DSSTox_Substance_Id":"DTXSID8047553","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","Human.Funbound.plasma.Low95":1.73544e-13,"Human.Funbound.plasma.High95":0.00055,"Human.Funbound.plasma.Point":0.00012,"MW":563.96412,"logP":4.846}
{"Compound":"Permethrin","CAS":"52645-53-1","Human.Clint":68.3893,"Human.Clint.pValue":0.00878,"Human.Funbound.plasma":1.69227e-08,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID8022292","SMILES":"CC1(C)C(C=C(Cl)Cl)C1C(=O)OCC1=CC(OC2=CC=CC=C2)=CC=C1","Human.Clint.Low95":5.46875,"Human.Clint.High95":1100.57855,"Human.Funbound.plasma.Low95":1.72243e-13,"Human.Funbound.plasma.High95":0.00174,"Human.Funbound.plasma.Point":0,"MW":390.07895,"logP":5.765}
{"Compound":"PFDA","CAS":"335-76-2","Human.Funbound.plasma":0.00289,"pKa_Accept":"","pKa_Donor":"-5.20","DSSTox_Substance_Id":"DTXSID3031860","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)F","Human.Funbound.plasma.Low95":0.00243,"Human.Funbound.plasma.High95":0.00356,"Human.Funbound.plasma.Point":0.00016,"MW":513.96732,"logP":4.368}
{"Compound":"PharmaGSID_48505","CAS":"NOCAS_48505","Human.Clint":0,"Human.Clint.pValue":0.99816,"Human.Funbound.plasma":0.01296,"DSSTox_Substance_Id":"DTXSID0048505","SMILES":"CC1=C2N=C(C3=CC=CC=C3Cl)C3=C(NC2=NN1)C=CC(=C3)[N+]([O-])=O","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.00928,"Human.Funbound.plasma.High95":0.02113,"Human.Funbound.plasma.Point":0.00438,"MW":353.06795,"logP":2.521}
{"Compound":"PharmaGSID_48510","CAS":"460081-99-6","Human.Clint":7.69381,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.01373,"pKa_Accept":"5.08","pKa_Donor":"4.47","DSSTox_Substance_Id":"DTXSID9048510","SMILES":"OC(=O)C1=CC(=CC=C1)N(CC1=CN=CC=C1)C1=CC=C(OC(F)F)C(OC(F)F)=C1","Human.Clint.Low95":2.70914,"Human.Clint.High95":11.02886,"Human.Clint.Point":11.47394,"Human.Funbound.plasma.Low95":0.01193,"Human.Funbound.plasma.High95":0.01827,"Human.Funbound.plasma.Point":0.00764,"MW":436.10462,"logP":4.483}
{"Compound":"Phenanthrene","CAS":"85-01-8","Human.Funbound.plasma":0.00001,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID6024254","SMILES":"C1=CC2=C(C=C1)C1=C(C=CC=C1)C=C2","Human.Funbound.plasma.Low95":3.24724e-13,"Human.Funbound.plasma.High95":0.98025,"Human.Funbound.plasma.Point":0.43478,"MW":178.07825,"logP":4.095}
{"Compound":"Phenobarbital sodium","CAS":"57-30-7","Human.Clint":0,"Human.Clint.pValue":0.9999,"Human.Funbound.plasma":0.24931,"DSSTox_Substance_Id":"DTXSID0021123","SMILES":"CCC1(C(=O)NC(O)=NC1=O)c1ccccc1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":-1.77434,"Human.Funbound.plasma.Low95":0.18937,"Human.Funbound.plasma.High95":0.31608,"Human.Funbound.plasma.Point":0,"MW":232.08479,"logP":1.254}
{"Compound":"Phenol red","CAS":"143-74-8","Human.Clint":1.0982,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.14188,"pKa_Accept":"","pKa_Donor":"9.16,9.76","DSSTox_Substance_Id":"DTXSID8022408","SMILES":"OC1=CC=C(C=C1)C1(OS(=O)(=O)C2=C1C=CC=C2)C1=CC=C(O)C=C1","Human.Clint.Low95":0.11853,"Human.Clint.High95":2.96146,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.09866,"Human.Funbound.plasma.High95":0.21687,"Human.Funbound.plasma.Point":0.11409,"MW":354.05619,"logP":3.06}
{"Compound":"Phenol Red sodium salt","CAS":"34487-61-1","Human.Clint":0,"Human.Clint.pValue":0.99822,"Human.Funbound.plasma":0.08724,"DSSTox_Substance_Id":"DTXSID2044420","SMILES":"OC1=CC=C(C=C1)C1(OS(=O)(=O)C2=C1C=CC=C2)C1=CC=C(O)C=C1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.06249,"Human.Funbound.plasma.High95":0.12206,"Human.Funbound.plasma.Point":0.10935,"MW":354.05619,"logP":3.06}
{"Compound":"Phenolphthalin","CAS":"81-90-3","Human.Clint":1.84651,"Human.Clint.pValue":0.00762,"Human.Funbound.plasma":0.00936,"pKa_Accept":"","pKa_Donor":"3.71,9.68,10.29","DSSTox_Substance_Id":"DTXSID5022439","SMILES":"OC(=O)C1=C(C=CC=C1)C(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1","Human.Clint.Low95":0.76788,"Human.Clint.High95":2.89958,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.00762,"Human.Funbound.plasma.High95":0.01321,"Human.Funbound.plasma.Point":0.00546,"MW":320.10486,"logP":3.172}
{"Compound":"Phenothiazine","CAS":"92-84-2","Human.Clint":0,"Human.Clint.pValue":0.99772,"Human.Funbound.plasma":0.00409,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID5021126","SMILES":"N1C2=CC=CC=C2SC2=C1C=CC=C2","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.00185,"Human.Funbound.plasma.High95":0.01442,"Human.Funbound.plasma.Point":-0.0018,"MW":199.04557,"logP":2.739}
{"Compound":"Phenylparaben","CAS":"17696-62-7","Human.Clint":865.49,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.04502,"pKa_Accept":"","pKa_Donor":"8.45","DSSTox_Substance_Id":"DTXSID4047882","SMILES":"OC1=CC=C(C=C1)C(=O)OC1=CC=CC=C1","Human.Clint.Low95":264.56175,"Human.Clint.High95":1310.75205,"Human.Clint.Point":713.62027,"Human.Funbound.plasma.Low95":0.02991,"Human.Funbound.plasma.High95":0.05335,"Human.Funbound.plasma.Point":0.04075,"MW":214.06299,"logP":2.817}
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{"Compound":"Picloram","CAS":"1918-02-1","Human.Clint":0,"Human.Clint.pValue":0.99734,"Human.Funbound.plasma":0.27393,"pKa_Accept":"","pKa_Donor":"3.97","DSSTox_Substance_Id":"DTXSID1021160","SMILES":"NC1=C(Cl)C(Cl)=NC(C(O)=O)=C1Cl","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.17278,"Human.Funbound.plasma.High95":0.56566,"Human.Funbound.plasma.Point":0.26292,"MW":239.92601,"logP":2.204}
{"Compound":"Picoxystrobin","CAS":"117428-22-5","Human.Clint":57.1435,"Human.Clint.pValue":0,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID9047542","SMILES":"COC=C(C(=O)OC)C1=CC=CC=C1COC1=CC=CC(=N1)C(F)(F)F","Human.Clint.Low95":44.43454,"Human.Clint.High95":84.98766,"Human.Clint.Point":62.43065,"MW":367.10314,"logP":3.639}
{"Compound":"Pioglitazone hydrochloride","CAS":"112529-15-4","Human.Clint":8.91906,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.01062,"DSSTox_Substance_Id":"DTXSID3044203","SMILES":"CCC1=CN=C(CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)C=C1","Human.Clint.Low95":5.88628,"Human.Clint.High95":12.02203,"Human.Clint.Point":11.02832,"Human.Funbound.plasma.Low95":0.00802,"Human.Funbound.plasma.High95":0.01883,"Human.Funbound.plasma.Point":0.00514,"MW":356.11946,"logP":3.426}
{"Compound":"Piragliatin","CAS":"625114-41-2","Human.Clint":6.26233,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.47836,"pKa_Accept":"0.08","pKa_Donor":"11.44","DSSTox_Substance_Id":"DTXSID3048520","SMILES":"CS(=O)(=O)C1=CC=C(C=C1Cl)C(CC1CCC(=O)C1)C(=O)NC1=NC=CN=C1","Human.Clint.Low95":3.04312,"Human.Clint.High95":8.25534,"Human.Clint.Point":7.956,"Human.Funbound.plasma.Low95":0.44752,"Human.Funbound.plasma.High95":0.52057,"Human.Funbound.plasma.Point":0.50544,"MW":421.0863,"logP":2.234}
{"Compound":"Pirimiphos-methyl","CAS":"29232-93-7","Human.Clint":49.6751,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.0108,"pKa_Accept":"5.09","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID0024266","SMILES":"CCN(CC)C1=NC(OP(=S)(OC)OC)=CC(C)=N1","Human.Clint.Low95":33.187,"Human.Clint.High95":60.30763,"Human.Clint.Point":39.36468,"Human.Funbound.plasma.Low95":0.00644,"Human.Funbound.plasma.High95":0.01803,"Human.Funbound.plasma.Point":0.00314,"MW":305.0963,"logP":3.851}
{"Compound":"Pravastatin sodium","CAS":"81131-70-6","Human.Clint":0,"Human.Clint.pValue":0.9995,"Human.Funbound.plasma":0.36053,"DSSTox_Substance_Id":"DTXSID6047525","SMILES":"CCC(C)C(=O)OC1CC(O)C=C2C=CC(C)C(CCC(O)CC(O)CC(O)=O)C12","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.20956,"Human.Funbound.plasma.High95":0.78068,"Human.Funbound.plasma.Point":0.35532,"MW":424.2461,"logP":1.267}
{"Compound":"Procymidone","CAS":"32809-16-8","Human.Clint":5.32476,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.04961,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID9033923","SMILES":"CC12CC1(C)C(=O)N(C2=O)C1=CC(Cl)=CC(Cl)=C1","Human.Clint.Low95":3.12962,"Human.Clint.High95":7.2337,"Human.Clint.Point":5.95457,"Human.Funbound.plasma.Low95":0.04065,"Human.Funbound.plasma.High95":0.06006,"Human.Funbound.plasma.Point":0.03581,"MW":283.01668,"logP":3.422}
{"Compound":"Profenofos","CAS":"41198-08-7","Human.Clint":141.2824,"Human.Clint.pValue":0,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID3032464","SMILES":"CCCSP(=O)(OCC)OC1=C(Cl)C=C(Br)C=C1","Human.Clint.Low95":105.5405,"Human.Clint.High95":177.17228,"Human.Clint.Point":70.27976,"MW":371.93514,"logP":4.827}
{"Compound":"Prometon","CAS":"1610-18-0","Human.Clint":8.17085,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.02933,"pKa_Accept":"4.97","pKa_Donor":"14.27","DSSTox_Substance_Id":"DTXSID6022341","SMILES":"COC1=NC(NC(C)C)=NC(NC(C)C)=N1","Human.Clint.Low95":2.7135,"Human.Clint.High95":10.31046,"Human.Clint.Point":10.00568,"Human.Funbound.plasma.Low95":0.0219,"Human.Funbound.plasma.High95":0.04175,"Human.Funbound.plasma.Point":0.01658,"MW":225.15896,"logP":3.29}
{"Compound":"Propachlor","CAS":"1918-16-7","Human.Clint":69.708,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.34515,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID4024274","SMILES":"CC(C)N(C(=O)CCl)C1=CC=CC=C1","Human.Clint.Low95":64.12077,"Human.Clint.High95":74.37862,"Human.Clint.Point":71.49229,"Human.Funbound.plasma.Low95":0.31823,"Human.Funbound.plasma.High95":0.36897,"Human.Funbound.plasma.Point":0.33022,"MW":211.07639,"logP":2.279}
{"Compound":"Propanull","CAS":"709-98-8","Human.Clint":11.28028,"Human.Clint.pValue":0.03446,"Human.Funbound.plasma":0.07166,"pKa_Accept":"","pKa_Donor":"13.90","DSSTox_Substance_Id":"DTXSID8022111","SMILES":"CCC(=O)NC1=CC=C(Cl)C(Cl)=C1","Human.Clint.Low95":0,"Human.Clint.High95":18.48278,"Human.Clint.Point":35.07339,"Human.Funbound.plasma.Low95":0.0598,"Human.Funbound.plasma.High95":0.0931,"Human.Funbound.plasma.Point":0.0451,"MW":217.00612,"logP":2.423}
{"Compound":"Propargite","CAS":"2312-35-8","Human.Clint":24.0244,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.0077,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID4024276","SMILES":"CC(C)(C)C1=CC=C(OC2CCCCC2OS(=O)OCC#C)C=C1","Human.Clint.Low95":16.90456,"Human.Clint.High95":38.50185,"Human.Clint.Point":35.66384,"Human.Funbound.plasma.Low95":0.00651,"Human.Funbound.plasma.High95":0.0088,"Human.Funbound.plasma.Point":0.00272,"MW":350.15518,"logP":4.332}
{"Compound":"Propiconazole","CAS":"60207-90-1","Human.Clint":17.01375,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.05055,"pKa_Accept":"2.24","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID8024280","SMILES":"CCCC1COC(CN2C=NC=N2)(O1)C1=C(Cl)C=C(Cl)C=C1","Human.Clint.Low95":11.67374,"Human.Clint.High95":19.3439,"Human.Clint.Point":18.43469,"Human.Funbound.plasma.Low95":0.04252,"Human.Funbound.plasma.High95":0.06015,"Human.Funbound.plasma.Point":0.02961,"MW":341.06978,"logP":3.015}
{"Compound":"Propoxycarbazone-sodium","CAS":"181274-15-7","Human.Clint":0.90973,"Human.Clint.pValue":0.3389,"Human.Funbound.plasma":0.00915,"DSSTox_Substance_Id":"DTXSID9034864","SMILES":"CCCOC1=NN(C(=O)NS(=O)(=O)C2=C(C=CC=C2)C(=O)OC)C(=O)N1C","Human.Clint.Low95":0,"Human.Clint.High95":2.20966,"Human.Clint.Point":1.9032,"Human.Funbound.plasma.Low95":0.00701,"Human.Funbound.plasma.High95":0.01529,"Human.Funbound.plasma.Point":0.00481,"MW":398.08962,"logP":1.891}
{"Compound":"Propranolol","CAS":"525-66-6","Human.Funbound.plasma":0.28181,"DSSTox_Substance_Id":"DTXSID6023525","SMILES":"CC(C)NCC(O)COC1=C2C=CC=CC2=CC=C1","Human.Funbound.plasma.Low95":0.23617,"Human.Funbound.plasma.High95":0.33816,"Human.Funbound.plasma.Point":0.27714,"MW":259.15723,"logP":2.12}
{"Compound":"Propyl gallate","CAS":"121-79-9","Human.Clint":49.7474,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.0252,"pKa_Accept":"","pKa_Donor":"8.11,11.29,13.77","DSSTox_Substance_Id":"DTXSID5021201","SMILES":"CCCOC(=O)C1=CC(O)=C(O)C(O)=C1","Human.Clint.Low95":39.21066,"Human.Clint.High95":55.0488,"Human.Clint.Point":52.19444,"Human.Funbound.plasma.Low95":0.0128,"Human.Funbound.plasma.High95":0.05715,"Human.Funbound.plasma.Point":0.00294,"MW":212.06847,"logP":2.188}
{"Compound":"Pyraflufen-ethyl","CAS":"129630-19-9","Human.Clint":71.5767,"Human.Clint.pValue":0.16678,"Human.Funbound.plasma":0.43189,"pKa_Accept":"0.71","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID8034871","SMILES":"CCOC(=O)COC1=C(Cl)C=C(F)C(=C1)C1=NN(C)C(OC(F)F)=C1Cl","Human.Clint.Low95":0,"Human.Clint.High95":1167.0055,"Human.Funbound.plasma.Low95":0.08731,"Human.Funbound.plasma.High95":0.98606,"MW":412.02045,"logP":4.154}
{"Compound":"Pyridoxine","CAS":"65-23-6","Human.Clint":0,"Human.Clint.pValue":0.99962,"DSSTox_Substance_Id":"DTXSID4023541","SMILES":"CC1=C(O)C(CO)=C(CO)C=N1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"MW":169.07389,"logP":-1.528}
{"Compound":"Pyrithiobac-sodium","CAS":"123343-16-8","Human.Clint":0,"Human.Clint.pValue":0.99282,"Human.Funbound.plasma":0.03324,"DSSTox_Substance_Id":"DTXSID8032673","SMILES":"COC1=CC(OC)=NC(SC2=C(C(O)=O)C(Cl)=CC=C2)=N1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.02797,"Human.Funbound.plasma.High95":0.0413,"Human.Funbound.plasma.Point":0.02161,"MW":326.01281,"logP":1.248}
{"Compound":"Quercetin","CAS":"117-39-5","Human.Clint":75.2104,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.01774,"pKa_Accept":"","pKa_Donor":"7.58,8.90,9.49","DSSTox_Substance_Id":"DTXSID4021218","SMILES":"OC1=CC2=C(C(O)=C1)C(=O)C(=O)C(O2)C1=CC(O)=C(O)C=C1","Human.Clint.Low95":43.14294,"Human.Clint.High95":96.66502,"Human.Clint.Point":33.97735,"Human.Funbound.plasma.Low95":4.24325e-13,"Human.Funbound.plasma.High95":0.03782,"Human.Funbound.plasma.Point":0.01421,"MW":302.04265,"logP":1.205}
{"Compound":"Quizalofop-ethyl","CAS":"76578-14-8","Human.Clint":35.3165,"Human.Clint.pValue":0,"pKa_Accept":"0.06","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID9023889","SMILES":"CCOC(=O)C(C)OC1=CC=C(OC2=CN=C3C=C(Cl)C=CC3=N2)C=C1","Human.Clint.Low95":26.67947,"Human.Clint.High95":41.86004,"Human.Clint.Point":0,"MW":372.08768,"logP":3.677}
{"Compound":"Raloxifene hydrochloride","CAS":"82640-04-8","Human.Clint":43.7497,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.01267,"pKa_Accept":"7.95","pKa_Donor":"8.89,9.55","DSSTox_Substance_Id":"DTXSID1034181","SMILES":"OC1=CC=C(C=C1)C1=C(C(=O)C2=CC=C(OCCN3CCCCC3)C=C2)C2=CC=C(O)C=C2S1","Human.Clint.Low95":34.96519,"Human.Clint.High95":48.77682,"Human.Clint.Point":47.33229,"Human.Funbound.plasma.Low95":0.00482,"Human.Funbound.plasma.High95":0.03185,"Human.Funbound.plasma.Point":-0.01512,"MW":473.16608,"logP":6.101}
{"Compound":"Resveratrol","CAS":"501-36-0","Human.Clint":62.8939,"Human.Clint.pValue":0,"Human.Funbound.plasma":9.33539e-08,"pKa_Accept":"","pKa_Donor":"8.99,9.63,10.64","DSSTox_Substance_Id":"DTXSID4031980","SMILES":"OC1=CC=C(C=CC2=CC(O)=CC(O)=C2)C=C1","Human.Clint.Low95":8.45508,"Human.Clint.High95":129.65926,"Human.Clint.Point":64.98103,"Human.Funbound.plasma.Low95":1.85623e-13,"Human.Funbound.plasma.High95":0.02181,"Human.Funbound.plasma.Point":0.00473,"MW":228.07864,"logP":2.843}
{"Compound":"Rhodamine 6G","CAS":"989-38-8","Human.Clint":0,"Human.Clint.pValue":0.99894,"Human.Funbound.plasma":3.40566e-07,"pKa_Accept":"6.13,3.73","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID1021243","SMILES":"CCNC1=CC2=[O+]C3=C(C=C(C)C(NCC)=C3)C(=C2C=C1C)C1=C(C=CC=C1)C(=O)OCC","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":5.29306,"Human.Funbound.plasma.Low95":2.16127e-13,"Human.Funbound.plasma.High95":0.09273,"Human.Funbound.plasma.Point":0.07322,"MW":443.23347,"logP":5.97}
{"Compound":"S-Bioallethrin","CAS":"28434-00-6","Human.Clint":45.881,"Human.Clint.pValue":0,"Human.Funbound.plasma":1.88944e-08,"DSSTox_Substance_Id":"DTXSID2039336","SMILES":"CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C","Human.Clint.Low95":16.08173,"Human.Clint.High95":71.66221,"Human.Clint.Point":33.7784,"Human.Funbound.plasma.Low95":2.1194e-13,"Human.Funbound.plasma.High95":0.00436,"Human.Funbound.plasma.Point":0.00095,"MW":302.18819,"logP":4.571}
{"Compound":"SB236057A","CAS":"180084-01-9","Human.Clint":4.64922,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.01498,"DSSTox_Substance_Id":"DTXSID5047320","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","Human.Clint.Low95":1.07572,"Human.Clint.High95":8.00583,"Human.Clint.Point":7.44051,"Human.Funbound.plasma.Low95":0.00983,"Human.Funbound.plasma.High95":0.02634,"Human.Funbound.plasma.Point":0.00193,"MW":534.26309,"logP":5.168}
{"Compound":"Secbumeton","CAS":"26259-45-0","Human.Clint":6.52837,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.04597,"pKa_Accept":"5.00","pKa_Donor":"14.36","DSSTox_Substance_Id":"DTXSID8037594","SMILES":"CCNC1=NC(OC)=NC(NC(C)CC)=N1","Human.Clint.Low95":2.61211,"Human.Clint.High95":12.22028,"Human.Clint.Point":12.15248,"Human.Funbound.plasma.Low95":0.03623,"Human.Funbound.plasma.High95":0.06273,"Human.Funbound.plasma.Point":0.02802,"MW":225.15896,"logP":3.203}
{"Compound":"Sodium 2-mercaptobenzothiolate","CAS":"2492-26-4","Human.Clint":41.6592,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.0368,"DSSTox_Substance_Id":"DTXSID1026035","SMILES":"SC1=NC2=C(S1)C=CC=C2","Human.Clint.Low95":29.81079,"Human.Clint.High95":49.14095,"Human.Clint.Point":68.66124,"Human.Funbound.plasma.Low95":0.03272,"Human.Funbound.plasma.High95":0.04177,"Human.Funbound.plasma.Point":0.03375,"MW":166.98634,"logP":2.162}
{"Compound":"Sodium 4-nitrophenolate","CAS":"824-78-2","Human.Clint":48.141,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.1704,"DSSTox_Substance_Id":"DTXSID3027320","SMILES":"OC1=CC=C(C=C1)[N+]([O-])=O","Human.Clint.Low95":44.14457,"Human.Clint.High95":52.27361,"Human.Clint.Point":48.73242,"Human.Funbound.plasma.Low95":0.11184,"Human.Funbound.plasma.High95":0.27382,"Human.Funbound.plasma.Point":0.097,"MW":139.02694,"logP":1.817}
{"Compound":"Sodium chlorite","CAS":"7758-19-2","Human.Clint":75.4407,"Human.Clint.pValue":0.47138,"DSSTox_Substance_Id":"DTXSID8021272","SMILES":"[O-]Cl=O","Human.Clint.Low95":0,"Human.Clint.High95":1268.5266,"Human.Clint.Point":-9.05009,"MW":66.95868,"logP":-0.259}
{"Compound":"Sodium dehydroacetate","CAS":"4418-26-2","Human.Clint":0,"Human.Clint.pValue":0.99976,"Human.Funbound.plasma":0.06191,"DSSTox_Substance_Id":"DTXSID7026029","SMILES":"CC(=O)C1C(=O)OC(C)=CC1=O","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.05443,"Human.Funbound.plasma.High95":0.07197,"Human.Funbound.plasma.Point":0.04024,"MW":168.04226,"logP":0.152}
{"Compound":"Sodium saccharin hydrate","CAS":"82385-42-0","Human.Clint":0,"Human.Clint.pValue":0.54372,"Human.Funbound.plasma":0.69538,"DSSTox_Substance_Id":"DTXSID7021992","SMILES":"O=C1NS(=O)(=O)C2=C1C=CC=C2","Human.Clint.Low95":0,"Human.Clint.High95":9.31989,"Human.Clint.Point":7.64195,"Human.Funbound.plasma.Low95":0.42762,"Human.Funbound.plasma.High95":0.98748,"Human.Funbound.plasma.Point":0.19324,"MW":182.99901,"logP":0.81}
{"Compound":"Sodium tridecyl sulfate","CAS":"3026-63-9","Human.Clint":43.1062,"Human.Clint.pValue":0,"pKa_Accept":"","pKa_Donor":"-1.45","DSSTox_Substance_Id":"DTXSID4042418","SMILES":"CCCCCCCCCCCCCOS(O)(=O)=O","Human.Clint.Low95":20.82481,"Human.Clint.High95":54.62345,"Human.Clint.Point":42.93711,"MW":280.17083,"logP":2.094}
{"Compound":"Spirodiclofen","CAS":"148477-71-8","Human.Clint":44.6157,"Human.Clint.pValue":0,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID6034928","SMILES":"CCC(C)(C)C(=O)OC1=C(C(=O)OC11CCCCC1)C1=CC(Cl)=CC(Cl)=C1","Human.Clint.Low95":33.28054,"Human.Clint.High95":50.34724,"Human.Clint.Point":48.39703,"MW":410.10516,"logP":3.908}
{"Compound":"SSR162369","CAS":"NOCAS_47346","Human.Funbound.plasma":0.69748,"DSSTox_Substance_Id":"DTXSID3047346","SMILES":"[H]C12CCC([H])(CC(C1)NCC(=O)N1CC(F)(F)CC1C#N)N2c1ncccn1","Human.Funbound.plasma.Low95":0.42755,"Human.Funbound.plasma.High95":0.98526,"Human.Funbound.plasma.Point":0.80256,"MW":376.18232,"logP":0.964}
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{"Compound":"Sucrose octaacetate","CAS":"126-14-7","Human.Clint":194.3986,"Human.Clint.pValue":0,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID3042423","SMILES":"CC(=O)OCC1OC(COC(C)=O)(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O","Human.Clint.Low95":175.44016,"Human.Clint.High95":280.37035,"Human.Clint.Point":282.49367,"MW":678.20073,"logP":0.643}
{"Compound":"Sulfamethazine","CAS":"57-68-1","Human.Clint":0,"Human.Clint.pValue":0.9999,"Human.Funbound.plasma":0.1753,"pKa_Accept":"2.04,0.98","pKa_Donor":"6.99","DSSTox_Substance_Id":"DTXSID6021290","SMILES":"CC1=CC(C)=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=N1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":-2.98009,"Human.Funbound.plasma.Low95":0.16348,"Human.Funbound.plasma.High95":0.19253,"Human.Funbound.plasma.Point":0.16886,"MW":278.08375,"logP":0.246}
{"Compound":"Sulfaquinoxaline","CAS":"59-40-5","Human.Clint":0,"Human.Clint.pValue":0.99292,"Human.Funbound.plasma":0.00365,"pKa_Accept":"2.13","pKa_Donor":"6.79","DSSTox_Substance_Id":"DTXSID8042424","SMILES":"NC1=CC=C(C=C1)S(=O)(=O)NC1=CN=C2C=CC=CC2=N1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":1.91459,"Human.Funbound.plasma.Low95":0.00168,"Human.Funbound.plasma.High95":0.01235,"Human.Funbound.plasma.Point":-0.00006,"MW":300.0681,"logP":2.055}
{"Compound":"Sulfathiazole","CAS":"72-14-0","Human.Clint":0,"Human.Clint.pValue":0.9998,"pKa_Accept":"2.04,0.35","pKa_Donor":"6.93","DSSTox_Substance_Id":"DTXSID8026068","SMILES":"NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":-5.16042,"MW":255.01362,"logP":1.225}
{"Compound":"Sulfluramid","CAS":"4151-50-2","Human.Clint":3.47935,"Human.Clint.pValue":0.4615,"Human.Funbound.plasma":6.70438e-08,"pKa_Accept":"","pKa_Donor":"3.64","DSSTox_Substance_Id":"DTXSID1032646","SMILES":"CCNS(=O)(=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)F","Human.Clint.Low95":0,"Human.Clint.High95":19.30369,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":1.84517e-13,"Human.Funbound.plasma.High95":0.00891,"Human.Funbound.plasma.Point":0.00002,"MW":526.98478,"logP":3.641}
{"Compound":"Sulfotepp","CAS":"3689-24-5","Human.Clint":100.729,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.01914,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID7024328","SMILES":"CCOP(=S)(OCC)OP(=S)(OCC)OCC","Human.Clint.Low95":74.8941,"Human.Clint.High95":117.59621,"Human.Clint.Point":74.96258,"Human.Funbound.plasma.Low95":0.01131,"Human.Funbound.plasma.High95":0.03391,"Human.Funbound.plasma.Point":0.00806,"MW":322.02274,"logP":3.745}
{"Compound":"Sulisobenzone","CAS":"4065-45-6","Human.Clint":1.04669,"Human.Clint.pValue":0.0005,"Human.Funbound.plasma":0.00947,"pKa_Accept":"","pKa_Donor":"-2.42,6.57","DSSTox_Substance_Id":"DTXSID2042436","SMILES":"COC1=C(C=C(C(=O)C2=CC=CC=C2)C(O)=C1)S(O)(=O)=O","Human.Clint.Low95":0.48322,"Human.Clint.High95":1.64628,"Human.Clint.Point":1.19383,"Human.Funbound.plasma.Low95":0.00454,"Human.Funbound.plasma.High95":0.02679,"Human.Funbound.plasma.Point":0.00083,"MW":308.03546,"logP":1.546}
{"Compound":"Surinabant","CAS":"288104-79-0","Human.Clint":0,"Human.Clint.pValue":0.90884,"Human.Funbound.plasma":3.34512e-08,"pKa_Accept":"1.60","pKa_Donor":"12.40","DSSTox_Substance_Id":"DTXSID2047357","SMILES":"CCC1=C(N(N=C1C(=O)NN1CCCCC1)C1=CC=C(Cl)C=C1Cl)C1=CC=C(Br)C=C1","Human.Clint.Low95":0,"Human.Clint.High95":10.37347,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":1.82883e-13,"Human.Funbound.plasma.High95":0.00334,"Human.Funbound.plasma.Point":0.00016,"MW":520.04323,"logP":4.751}
{"Compound":"Tamoxifen","CAS":"10540-29-1","Human.Clint":0,"Human.Clint.pValue":0.99282,"Human.Funbound.plasma":0.00047,"pKa_Accept":"8.76","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID1034187","SMILES":"CCC(=C(C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.00027,"Human.Funbound.plasma.High95":0.00079,"Human.Funbound.plasma.Point":0.00002,"MW":371.22491,"logP":5.302}
{"Compound":"Tamoxifen citrate","CAS":"54965-24-1","Human.Clint":0,"Human.Clint.pValue":0.87804,"Human.Funbound.plasma":0.00495,"DSSTox_Substance_Id":"DTXSID8021301","SMILES":"CCC(=C(C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1","Human.Clint.Low95":0,"Human.Clint.High95":8.53905,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.00467,"Human.Funbound.plasma.High95":0.0065,"Human.Funbound.plasma.Point":0.00002,"MW":371.22491,"logP":5.302}
{"Compound":"Tembotrione","CAS":"335104-84-2","Human.Clint":0,"Human.Clint.pValue":0.99992,"Human.Funbound.plasma":0.0915,"pKa_Accept":"","pKa_Donor":"2.21","DSSTox_Substance_Id":"DTXSID5047037","SMILES":"CS(=O)(=O)C1=C(COCC(F)(F)F)C(Cl)=C(C=C1)C(=O)C1C(=O)CCCC1=O","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":-4.71802,"Human.Funbound.plasma.Low95":0.06692,"Human.Funbound.plasma.High95":0.13008,"Human.Funbound.plasma.Point":0.09741,"MW":440.03082,"logP":1.924}
{"Compound":"Terbufos","CAS":"13071-79-9","Human.Clint":32.4865,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.03308,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID2022254","SMILES":"CCOP(=S)(OCC)SCSC(C)(C)C","Human.Clint.Low95":16.47779,"Human.Clint.High95":53.27849,"Human.Clint.Point":26.76097,"Human.Funbound.plasma.Low95":0.01959,"Human.Funbound.plasma.High95":0.04373,"Human.Funbound.plasma.Point":0.01805,"MW":288.04413,"logP":4.214}
{"Compound":"Testosterone propionate","CAS":"57-85-2","Human.Clint":427.426,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.00164,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID9036515","SMILES":"CCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C","Human.Clint.Low95":153.34551,"Human.Clint.High95":1254.0757,"Human.Clint.Point":84.72264,"Human.Funbound.plasma.Low95":4.31074e-13,"Human.Funbound.plasma.High95":0.01125,"Human.Funbound.plasma.Point":0.00295,"MW":344.23514,"logP":4.26}
{"Compound":"Tetrabromophenolphthalein ethyl ester","CAS":"1176-74-5","Human.Clint":0,"Human.Clint.pValue":0.62762,"Human.Funbound.plasma":0.01185,"pKa_Accept":"","pKa_Donor":"6.19","DSSTox_Substance_Id":"DTXSID5044520","SMILES":"CCOC(=O)C1=C(C=CC=C1)C(C1=CC(Br)=C(O)C(Br)=C1)=C1C=C(Br)C(=O)C(Br)=C1","Human.Clint.Low95":0,"Human.Clint.High95":3.59202,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.00701,"Human.Funbound.plasma.High95":0.01953,"Human.Funbound.plasma.Point":0.00372,"MW":657.76256,"logP":4.194}
{"Compound":"Tetrabutyl ethylidenebisphenol","CAS":"35958-30-6","Human.Clint":0.38273,"Human.Clint.pValue":0.43542,"pKa_Accept":"","pKa_Donor":"9.31,12.95","DSSTox_Substance_Id":"DTXSID4038899","SMILES":"CC(C1=C(O)C(=CC(=C1)C(C)(C)C)C(C)(C)C)C1=C(O)C(=CC(=C1)C(C)(C)C)C(C)(C)C","Human.Clint.Low95":0,"Human.Clint.High95":3.37863,"Human.Clint.Point":0,"MW":438.34978,"logP":8.157}
{"Compound":"Tetracycline","CAS":"60-54-8","Human.Clint":0,"Human.Clint.pValue":0.99976,"Human.Funbound.plasma":0.47169,"pKa_Accept":"6.10","pKa_Donor":"1.78,8.55,11.40","DSSTox_Substance_Id":"DTXSID7023645","SMILES":"CN(C)C1C2CC3C(C(=O)C4=C(C=CC=C4O)C3(C)O)C(=O)C2(O)C(=O)C(C(N)=O)C1=O","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":-11.4252,"Human.Funbound.plasma.Low95":0.41673,"Human.Funbound.plasma.High95":0.56704,"Human.Funbound.plasma.Point":0.5721,"MW":444.15327,"logP":-0.96}
{"Compound":"Tetrahydrocurcumin","CAS":"36062-04-1","Human.Clint":173.3723,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.05005,"pKa_Accept":"","pKa_Donor":"9.31,9.88,10.41","DSSTox_Substance_Id":"DTXSID30865801","SMILES":"COC1=CC(CCC(=O)CC(=O)CCC2=CC(OC)=C(O)C=C2)=CC=C1O","Human.Clint.Low95":102.08613,"Human.Clint.High95":219.40425,"Human.Clint.Point":93.23272,"Human.Funbound.plasma.Low95":0.04356,"Human.Funbound.plasma.High95":0.05714,"Human.Funbound.plasma.Point":0.04388,"MW":372.15729,"logP":2.533}
{"Compound":"Theobromine","CAS":"83-67-0","Human.Clint":396.096,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.95282,"pKa_Accept":"","pKa_Donor":"9.28","DSSTox_Substance_Id":"DTXSID9026132","SMILES":"CN1C=NC2=C1C(=O)NC(=O)N2C","Human.Clint.Low95":15.60572,"Human.Clint.High95":1253.9505,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.7776,"Human.Funbound.plasma.High95":0.9885,"Human.Funbound.plasma.Point":1.04201,"MW":180.06473,"logP":-0.1}
{"Compound":"Thiobencarb","CAS":"28249-77-6","Human.Clint":233.128,"Human.Clint.pValue":0,"Human.Funbound.plasma":1.75201e-08,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID6024337","SMILES":"CCN(CC)C(=O)SCC1=CC=C(Cl)C=C1","Human.Clint.Low95":64.85639,"Human.Clint.High95":365.25015,"Human.Clint.Point":383.52912,"Human.Funbound.plasma.Low95":2.10865e-13,"Human.Funbound.plasma.High95":0.00366,"Human.Funbound.plasma.Point":-0.00528,"MW":257.06411,"logP":3.657}
{"Compound":"Thiodicarb","CAS":"59669-26-0","Human.Clint":839.031,"Human.Clint.pValue":0,"pKa_Accept":"0.45","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID0032578","SMILES":"CSC(C)=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC","Human.Clint.Low95":175.17243,"Human.Clint.High95":1309.16465,"MW":354.04902,"logP":2.069}
{"Compound":"Thiram","CAS":"137-26-8","Human.Clint":816.374,"Human.Clint.pValue":0,"Human.Funbound.plasma":5.11986e-08,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID5021332","SMILES":"CN(C)C(=S)SSC(=S)N(C)C","Human.Clint.Low95":176.90041,"Human.Clint.High95":1308.8962,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":1.92733e-13,"Human.Funbound.plasma.High95":0.00548,"MW":239.98833,"logP":1.588}
{"Compound":"Tolazamide","CAS":"1156-19-0","Human.Clint":0,"Human.Clint.pValue":0.99732,"Human.Funbound.plasma":0.0646,"pKa_Accept":"1.61","pKa_Donor":"4.07,14.17","DSSTox_Substance_Id":"DTXSID3021358","SMILES":"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CCCCCC1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.03819,"Human.Funbound.plasma.High95":0.12633,"Human.Funbound.plasma.Point":0.02774,"MW":311.13036,"logP":1.532}
{"Compound":"Tolcapone","CAS":"134308-13-7","Human.Clint":22.0482,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.01334,"pKa_Accept":"","pKa_Donor":"5.44,10.31","DSSTox_Substance_Id":"DTXSID3023685","SMILES":"CC1=CC=C(C=C1)C(=O)C1=CC(O)=C(O)C(=C1)[N+]([O-])=O","Human.Clint.Low95":17.21316,"Human.Clint.High95":24.75021,"Human.Clint.Point":22.85522,"Human.Funbound.plasma.Low95":0.00673,"Human.Funbound.plasma.High95":0.02976,"Human.Funbound.plasma.Point":0.00392,"MW":273.06372,"logP":2.741}
{"Compound":"Tralkoxydim","CAS":"87820-88-0","Human.Clint":0,"Human.Clint.pValue":0.99164,"Human.Funbound.plasma":0.16836,"pKa_Accept":"2.74","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID1034973","SMILES":"CCON=C(CC)C1C(=O)CC(CC1=O)C1=C(C)C=C(C)C=C1C","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.14597,"Human.Funbound.plasma.High95":0.20343,"Human.Funbound.plasma.Point":0.16372,"MW":329.19909,"logP":3.645}
{"Compound":"Trelanserin","CAS":"189003-92-7","Human.Clint":7.05606,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.06094,"pKa_Accept":"7.74,4.17","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID2047355","SMILES":"NC(=O)CN1C(=O)C=C(CCN2CCN(CC2)C2=NC=CC3=C2C=CS3)C2=C1C=C(F)C=C2","Human.Clint.Low95":3.55504,"Human.Clint.High95":13.6223,"Human.Clint.Point":25.1892,"Human.Funbound.plasma.Low95":0.03529,"Human.Funbound.plasma.High95":0.1187,"Human.Funbound.plasma.Point":-0.00623,"MW":465.16347,"logP":2.141}
{"Compound":"Triacetin","CAS":"102-76-1","Human.Clint":393.389,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.00004,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID3026691","SMILES":"CC(=O)OCC(COC(C)=O)OC(C)=O","Human.Clint.Low95":215.1178,"Human.Clint.High95":1260.4023,"Human.Clint.Point":25.36445,"Human.Funbound.plasma.Low95":2.5913e-13,"Human.Funbound.plasma.High95":0.98349,"Human.Funbound.plasma.Point":0.72531,"MW":218.07904,"logP":0.208}
{"Compound":"Triamterene","CAS":"396-01-0","Human.Clint":0,"Human.Clint.pValue":0.99846,"Human.Funbound.plasma":0.32966,"pKa_Accept":"1.86","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID6021373","SMILES":"NC1=NC(N)=C2N=C(C(N)=NC2=N1)C1=CC=CC=C1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.24885,"Human.Funbound.plasma.High95":0.41215,"Human.Funbound.plasma.Point":0.34159,"MW":253.10759,"logP":0.949}
{"Compound":"Triazophos","CAS":"24017-47-8","Human.Clint":30.1592,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.0492,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID9037612","SMILES":"CCOP(=S)(OCC)OC1=NN(C=N1)C1=CC=CC=C1","Human.Clint.Low95":19.14613,"Human.Clint.High95":36.00643,"Human.Clint.Point":33.79088,"Human.Funbound.plasma.Low95":0.04243,"Human.Funbound.plasma.High95":0.06288,"Human.Funbound.plasma.Point":0.0366,"MW":313.065,"logP":3.642}
{"Compound":"Tributyltetradecylphosphonium chloride","CAS":"81741-28-8","Human.Clint":16.65446,"Human.Clint.pValue":0,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID9034997","SMILES":"CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC","Human.Clint.Low95":6.46271,"Human.Clint.High95":21.22621,"Human.Clint.Point":20.49328,"MW":399.41196,"logP":4.828}
{"Compound":"Tributyltin chloride","CAS":"1461-22-9","Human.Clint":781.517,"Human.Clint.pValue":0.00134,"DSSTox_Substance_Id":"DTXSID3027403","SMILES":"CCCC[Sn](CCCC)(CCCC)Cl","Human.Clint.Low95":153.39065,"Human.Clint.High95":1305.28205,"Human.Clint.Point":0,"MW":326.08232,"logP":4.983}
{"Compound":"Trichlorfon","CAS":"52-68-6","Human.Clint":31.6821,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.65995,"pKa_Accept":"","pKa_Donor":"10.12","DSSTox_Substance_Id":"DTXSID0021389","SMILES":"COP(=O)(OC)C(O)C(Cl)(Cl)Cl","Human.Clint.Low95":25.33154,"Human.Clint.High95":37.87845,"Human.Clint.Point":62.29994,"Human.Funbound.plasma.Low95":0.22228,"Human.Funbound.plasma.High95":0.98592,"MW":255.92258,"logP":0.635}
{"Compound":"Triclopyr butotyl","CAS":"64700-56-7","Human.Clint":858.249,"Human.Clint.pValue":0,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID5032579","SMILES":"CCCCOCCOC(=O)COC1=C(Cl)C=C(Cl)C(Cl)=N1","Human.Clint.Low95":231.46585,"Human.Clint.High95":1309.6152,"MW":355.01449,"logP":2.879}
{"Compound":"Triclosan","CAS":"3380-34-5","Human.Clint":27.7975,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.00165,"pKa_Accept":"","pKa_Donor":"7.68","DSSTox_Substance_Id":"DTXSID5032498","SMILES":"OC1=C(OC2=CC=C(Cl)C=C2Cl)C=CC(Cl)=C1","Human.Clint.Low95":14.4379,"Human.Clint.High95":38.4695,"Human.Clint.Point":32.11615,"Human.Funbound.plasma.Low95":3.83307e-12,"Human.Funbound.plasma.High95":0.01288,"Human.Funbound.plasma.Point":0.00055,"MW":287.95116,"logP":3.847}
{"Compound":"Triethylene glycol diacetate","CAS":"111-21-7","Human.Clint":206.09,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.87825,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID3026223","SMILES":"CC(=O)OCCOCCOCCOC(C)=O","Human.Clint.Low95":184.37291,"Human.Clint.High95":251.06615,"Human.Clint.Point":182.32548,"Human.Funbound.plasma.Low95":0.55398,"Human.Funbound.plasma.High95":0.98827,"Human.Funbound.plasma.Point":1.60454,"MW":234.11034,"logP":0.351}
{"Compound":"Triethylene glycol dimethyl ether","CAS":"112-49-2","Human.Clint":0,"Human.Clint.pValue":0.99994,"Human.Funbound.plasma":0.66968,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID8026224","SMILES":"COCCOCCOCCOC","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":-1.35297,"Human.Funbound.plasma.Low95":0.58097,"Human.Funbound.plasma.High95":0.90691,"Human.Funbound.plasma.Point":0.92136,"MW":178.12051,"logP":-0.165}
{"Compound":"Trifloxystrobin","CAS":"141517-21-7","Human.Clint":465.656,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.00665,"pKa_Accept":"2.37","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID4032580","SMILES":"CON=C(C(=O)OC)C1=CC=CC=C1CON=C(C)C1=CC(=CC=C1)C(F)(F)F","Human.Clint.Low95":19.34077,"Human.Clint.High95":1284.3646,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.00385,"Human.Funbound.plasma.High95":0.01128,"Human.Funbound.plasma.Point":0.00158,"MW":408.12969,"logP":3.474}
{"Compound":"Triflumizole","CAS":"68694-11-1","Human.Clint":19.55027,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.00752,"pKa_Accept":"6.31,3.52","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID2032500","SMILES":"CCCOCC(=NC1=CC=C(Cl)C=C1C(F)(F)F)N1C=CN=C1","Human.Clint.Low95":8.87512,"Human.Clint.High95":28.39005,"Human.Clint.Point":26.6399,"Human.Funbound.plasma.Low95":0.00489,"Human.Funbound.plasma.High95":0.01606,"Human.Funbound.plasma.Point":0.00227,"MW":345.08557,"logP":3.192}
{"Compound":"Trifluralin","CAS":"1582-09-8","Human.Clint":210.013,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.00214,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID4021395","SMILES":"CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O","Human.Clint.Low95":41.0835,"Human.Clint.High95":1216.322,"Human.Funbound.plasma.Low95":0.00099,"Human.Funbound.plasma.High95":0.00516,"Human.Funbound.plasma.Point":0,"MW":335.10929,"logP":5.208}
{"Compound":"Triglycidyl isocyanurate","CAS":"2451-62-9","Human.Clint":179.5103,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.21983,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID4026262","SMILES":"O=C1N(CC2CO2)C(=O)N(CC2CO2)C(=O)N1CC1CO1","Human.Clint.Low95":132.76972,"Human.Clint.High95":214.968,"Human.Clint.Point":120.71944,"Human.Funbound.plasma.Low95":0.07946,"Human.Funbound.plasma.High95":0.9848,"Human.Funbound.plasma.Point":-5.33365,"MW":297.09609,"logP":0.522}
{"Compound":"Trinexapac-ethyl","CAS":"95266-40-3","Human.Clint":3.81991,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.13729,"pKa_Accept":"","pKa_Donor":"3.66","DSSTox_Substance_Id":"DTXSID9032535","SMILES":"CCOC(=O)C1CC(=O)C(C(=O)C2CC2)C(=O)C1","Human.Clint.Low95":2.41482,"Human.Clint.High95":4.82354,"Human.Clint.Point":4.04269,"Human.Funbound.plasma.Low95":0.11809,"Human.Funbound.plasma.High95":0.16192,"Human.Funbound.plasma.Point":0.15856,"MW":252.09977,"logP":0.968}
{"Compound":"Triphenylphosphine oxide","CAS":"791-28-6","Human.Clint":0,"Human.Clint.pValue":0.99962,"Human.Funbound.plasma":0.10104,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID2022121","SMILES":"O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.09461,"Human.Funbound.plasma.High95":0.11162,"Human.Funbound.plasma.Point":0.09371,"MW":278.08605,"logP":3.469}
{"Compound":"Tris(2-chloroethyl) phosphate","CAS":"115-96-8","Human.Clint":2.0353,"Human.Clint.pValue":0.17458,"Human.Funbound.plasma":0.43985,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID5021411","SMILES":"ClCCOP(=O)(OCCCl)OCCCl","Human.Clint.Low95":0,"Human.Clint.High95":4.05668,"Human.Clint.Point":3.28435,"Human.Funbound.plasma.Low95":0.41182,"Human.Funbound.plasma.High95":0.47177,"Human.Funbound.plasma.Point":0.45565,"MW":283.95388,"logP":1.585}
{"Compound":"Tris(2,3-dibromopropyl) phosphate","CAS":"126-72-7","Human.Clint":176.9672,"Human.Clint.pValue":0,"Human.Funbound.plasma":0.00675,"pKa_Accept":"","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID5021413","SMILES":"BrCC(Br)COP(=O)(OCC(Br)CBr)OCC(Br)CBr","Human.Clint.Low95":35.9494,"Human.Clint.High95":1235.2867,"Human.Clint.Point":92.41962,"Human.Funbound.plasma.Low95":0.00317,"Human.Funbound.plasma.High95":0.02349,"Human.Funbound.plasma.Point":0,"MW":691.58082,"logP":4.231}
{"Compound":"Umbelliferone","CAS":"93-35-6","Human.Clint":49.5204,"Human.Clint.pValue":0,"pKa_Accept":"","pKa_Donor":"7.84","DSSTox_Substance_Id":"DTXSID5052626","SMILES":"OC1=CC=C2C=CC(=O)OC2=C1","Human.Clint.Low95":44.1966,"Human.Clint.High95":53.90821,"Human.Clint.Point":58.52369,"MW":162.03169,"logP":1.413}
{"Compound":"Verapamil","CAS":"52-53-9","Human.Clint":12.69765,"Human.Clint.pValue":0,"pKa_Accept":"9.68","pKa_Donor":"","DSSTox_Substance_Id":"DTXSID9041152","SMILES":"COC1=CC=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC=C(OC)C(OC)=C2)C=C1OC","Human.Clint.Low95":8.96054,"Human.Clint.High95":15.61001,"Human.Clint.Point":31.13349,"MW":454.28316,"logP":4.415}
{"Compound":"Warfarin","CAS":"81-81-2","Human.Clint":0,"Human.Clint.pValue":0.99844,"Human.Funbound.plasma":0.01828,"pKa_Accept":"","pKa_Donor":"4.74","DSSTox_Substance_Id":"DTXSID5023742","SMILES":"CC(=O)CC(C1C(=O)Oc2ccccc2C1=O)c1ccccc1","Human.Clint.Low95":0,"Human.Clint.High95":0,"Human.Clint.Point":0,"Human.Funbound.plasma.Low95":0.01378,"Human.Funbound.plasma.High95":0.0271,"Human.Funbound.plasma.Point":0.00944,"MW":308.10486,"logP":2.413}
{"Compound":"Zearalenone","CAS":"17924-92-4","Human.Clint":208.677,"Human.Clint.pValue":0,"pKa_Accept":"","pKa_Donor":"8.54,10.38","DSSTox_Substance_Id":"DTXSID0021460","SMILES":"CC1CCCC(=O)CCCC=CC2=CC(O)=CC(O)=C2C(=O)O1","Human.Clint.Low95":158.78405,"Human.Clint.High95":242.51835,"Human.Clint.Point":113.06763,"MW":318.14672,"logP":3.734}
{"Compound":"Zenarestat","CAS":"112733-06-9","Human.Funbound.plasma":0.00914,"pKa_Accept":"","pKa_Donor":"3.41","DSSTox_Substance_Id":"DTXSID0047296","SMILES":"OC(=O)CN1C(=O)N(CC2=CC=C(Br)C=C2F)C(=O)C2=C1C=C(Cl)C=C2","Human.Funbound.plasma.Low95":0.00629,"Human.Funbound.plasma.High95":0.01836,"Human.Funbound.plasma.Point":0,"MW":439.95747,"logP":3.198}