,Source,Year,Version,Original_Name_in_Source_Literature,Structurally_Unique_ID,Same_Peptides_ID,Same_Peptides_Source,Same_Peptides_Permeability,Same_Peptides_Assay,SMILES,HELM,HELM_URL,Sequence,Sequence_LogP,Sequence_TPSA,Monomer_Length,Monomer_Length_in_Main_Chain,Molecule_Shape,Permeability,PAMPA,Caco2,MDCK,RRCK,Detection_Limit_1,Detection_Limit_2,R_PAMAP,R_Caco2,R_MDCK,R_RRCK,T_PAMPA,EPSA,PSA,_3DPSA,NULL,MaxEStateIndex,MinEStateIndex,MaxAbsEStateIndex,MinAbsEStateIndex,qed,MolWt,HeavyAtomMolWt,ExactMolWt,NumValenceElectrons,NumRadicalElectrons,MaxPartialCharge,MinPartialCharge,MaxAbsPartialCharge,MinAbsPartialCharge,FpDensityMorgan1,FpDensityMorgan2,FpDensityMorgan3,BCUT2D_MWHI,BCUT2D_MWLOW,BCUT2D_CHGHI,BCUT2D_CHGLO,BCUT2D_LOGPHI,BCUT2D_LOGPLOW,BCUT2D_MRHI,BCUT2D_MRLOW,BalabanJ,BertzCT,Chi0,Chi0n,Chi0v,Chi1,Chi1n,Chi1v,Chi2n,Chi2v,Chi3n,Chi3v,Chi4n,Chi4v,HallKierAlpha,Ipc,Kappa1,Kappa2,Kappa3,LabuteASA,PEOE_VSA1,PEOE_VSA10,PEOE_VSA11,PEOE_VSA12,PEOE_VSA13,PEOE_VSA14,PEOE_VSA2,PEOE_VSA3,PEOE_VSA4,PEOE_VSA5,PEOE_VSA6,PEOE_VSA7,PEOE_VSA8,PEOE_VSA9,SMR_VSA1,SMR_VSA10,SMR_VSA2,SMR_VSA3,SMR_VSA4,SMR_VSA5,SMR_VSA6,SMR_VSA7,SMR_VSA8,SMR_VSA9,SlogP_VSA1,SlogP_VSA10,SlogP_VSA11,SlogP_VSA12,SlogP_VSA2,SlogP_VSA3,SlogP_VSA4,SlogP_VSA5,SlogP_VSA6,SlogP_VSA7,SlogP_VSA8,SlogP_VSA9,TPSA,EState_VSA1,EState_VSA10,EState_VSA11,EState_VSA2,EState_VSA3,EState_VSA4,EState_VSA5,EState_VSA6,EState_VSA7,EState_VSA8,EState_VSA9,VSA_EState1,VSA_EState10,VSA_EState2,VSA_EState3,VSA_EState4,VSA_EState5,VSA_EState6,VSA_EState7,VSA_EState8,VSA_EState9,FractionCSP3,HeavyAtomCount,NHOHCount,NOCount,NumAliphaticCarbocycles,NumAliphaticHeterocycles,NumAliphaticRings,NumAromaticCarbocycles,NumAromaticHeterocycles,NumAromaticRings,NumHAcceptors,NumHDonors,NumHeteroatoms,NumRotatableBonds,NumSaturatedCarbocycles,NumSaturatedHeterocycles,NumSaturatedRings,RingCount,MolLogP,MolMR,fr_Al_COO,fr_Al_OH,fr_Al_OH_noTert,fr_ArN,fr_Ar_COO,fr_Ar_N,fr_Ar_NH,fr_Ar_OH,fr_COO,fr_COO2,fr_C_O,fr_C_O_noCOO,fr_C_S,fr_HOCCN,fr_Imine,fr_NH0,fr_NH1,fr_NH2,fr_N_O,fr_Ndealkylation1,fr_Ndealkylation2,fr_Nhpyrrole,fr_SH,fr_aldehyde,fr_alkyl_carbamate,fr_alkyl_halide,fr_allylic_oxid,fr_amide,fr_amidine,fr_aniline,fr_aryl_methyl,fr_azide,fr_azo,fr_barbitur,fr_benzene,fr_benzodiazepine,fr_bicyclic,fr_diazo,fr_dihydropyridine,fr_epoxide,fr_ester,fr_ether,fr_furan,fr_guanido,fr_halogen,fr_hdrzine,fr_hdrzone,fr_imidazole,fr_imide,fr_isocyan,fr_isothiocyan,fr_ketone,fr_ketone_Topliss,fr_lactam,fr_lactone,fr_methoxy,fr_morpholine,fr_nitrile,fr_nitro,fr_nitro_arom,fr_nitro_arom_nonortho,fr_nitroso,fr_oxazole,fr_oxime,fr_para_hydroxylation,fr_phenol,fr_phenol_noOrthoHbond,fr_phos_acid,fr_phos_ester,fr_piperdine,fr_piperzine,fr_priamide,fr_prisulfonamd,fr_pyridine,fr_quatN,fr_sulfide,fr_sulfonamd,fr_sulfone,fr_term_acetylene,fr_tetrazole,fr_thiazole,fr_thiocyan,fr_thiophene,fr_unbrch_alkane,fr_urea,PC1,PC2,CHCl3_3DPSA,H2O_3DPSA
2,2006_Rezai_1,2006,1.0,compound.1,2,[1048],['2015_Wang'],"[['-5.46', '-4.92']]","[['PAMPA', 'Caco2']]",CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)NC1=O,"PEPTIDE2{[dL].[dL].L.[dL].P.Y}$PEPTIDE2,PEPTIDE2,1:R1-6:R2$$$","PEPTIDE2{<a href=""/monomers/dL/"">[dL]</a>.<a href=""/monomers/dL/"">[dL]</a>.<a href=""/monomers/L/"">L</a>.<a href=""/monomers/dL/"">[dL]</a>.<a href=""/monomers/P/"">P</a>.<a href=""/monomers/Y/"">Y</a>}$PEPTIDE2,PEPTIDE2,1:R1-6:R2$$$","['dL', 'dL', 'L', 'dL', 'P', 'Y']","[0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 0.7215999999999996]","[29.1, 29.1, 29.1, 29.1, 20.31, 49.33]",6,6,Circle,-6.2,-6.2,,,,,,,,,,,,,,,16.3125436,-6.935655976,16.3125436,1.737066725,0.215270438,712.933,652.453,712.4523483,284,0,0.29309207,-0.507966645,0.507966645,0.29309207,0.745098039,1.156862745,1.607843137,4.33e-16,-0.24928777,-2.06e-16,-2.716753673,-1.33e-16,-2.89458429,-2.12e-16,-1.135790365,3.600346506,3800.979834,90.09941163,84.54101961,24.54101961,47.81706099,42.23007366,12.58575739,8.507910908,8.507910908,4.876575574,4.876575574,3.036401246,3.036401246,-4.16,3.8799999999999997e+33,8.308622705,18.89589014,12.53381155,387.0455828,36.55778469,41.85686664,7.059210392,35.44307838,1.431199657,0.0,28.7672231,0.0,0.0,0.0,66.89997435,79.46166906,73.18316106,13.70758556,114.9562037,35.44307838,1.431199657,31.4489765,23.57583074,135.5329661,6.496859684,29.73312632,0,5.749511833,26.54906677,0.0,5.749511833,0.0,89.48721045,35.14014801,23.57583074,172.6370999,24.16967483,7.059210392,0.0,0,186.04,267.9803495,23.50831307,28.7672231,0,0,0,0,0,0,5.108808191,59.00305902,521.3100972,0.0,94.60777993,-9.276643065,-2.655514009,-52.36769241,-49.04933642,-43.10535189,-49.46333938,0.0,0.684210526,51,6,13,0,2,2,1,0,1,7,6,13,19,0,2,2,3,2.5477,194.0193,0,0,0,0,0,0,0,1,0,0,6,6,0,0,0,1,5,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.44360442,-1.286946541,163.0,165.0