,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
2328,2018_Naylor,2018,1.0,1NMe3-6Tyr(34),25,"[25, 32, 980, 999, 1018, 1027, 1030, 1056, 1827]","['2011_White', '2012_Rand', '2015_Bockus_1', '2015_Hewitt', '2015_Lewis', '2015_Marelli', '2015_Nielsen', '2015_Wang', '2016_Hickey']","[['-5.31'], ['-5.31', '-5.31'], ['-5.52', '-5.31'], ['-4.75'], ['-4.50', '-4.96'], ['-4.40', '-4.70'], ['-6.00'], ['-6.24', '-4.80'], ['-6.40']]","[['RRCK'], ['Caco2', 'RRCK'], ['PAMPA', 'RRCK'], ['Caco2'], ['PAMPA', 'MDCK'], ['PAMPA', 'Caco2'], ['PAMPA'], ['PAMPA', 'Caco2'], ['PAMPA']]",CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C1=O,"PEPTIDE2328{L.[Me_dL].[meL].L.[dP].[meY]}$PEPTIDE2328,PEPTIDE2328,1:R1-6:R2$$$","PEPTIDE2328{<a href=""/monomers/L/"">L</a>.<a href=""/monomers/Me_dL/"">[Me_dL]</a>.<a href=""/monomers/meL/"">[meL]</a>.<a href=""/monomers/L/"">L</a>.<a href=""/monomers/dP/"">[dP]</a>.<a href=""/monomers/meY/"">[meY]</a>}$PEPTIDE2328,PEPTIDE2328,1:R1-6:R2$$$","['L', 'Me_dL', 'meL', 'L', 'dP', 'meY']","[0.8193999999999995, 1.1616, 1.1616, 0.8193999999999995, 0.2794999999999998, 1.0637999999999996]","[29.1, 20.31, 20.31, 29.1, 20.31, 40.540000000000006]",6,6,Circle,-4.88,-5.52,,,-4.88,,,,,,,,,,,,17.00766616,-7.503943013,17.00766616,1.857455529,0.329549016,755.014,688.486,754.4992985,302,0,0.29309207,-0.507966645,0.507966645,0.29309207,0.759259259,1.259259259,1.814814815,1.69e-16,-0.24928777,-2.73e-16,-2.736564284,-2.23e-16,-2.876464008,-1.04e-16,-1.136362017,3.881438201,4121.809889,97.59941163,92.04101961,26.04101961,51.45103559,46.05925326,13.25657778,9.178731301,9.178731301,5.516621508,5.516621508,3.422571664,3.422571664,-4.16,5.2000000000000006e+38,8.561382025,19.43396197,11.42697649,415.0259768,35.32807382,41.85686664,2.823684157,35.44307838,1.431199657,0.0,28.7672231,0.0,0.0,0.0,66.89997435,79.46166906,106.4474688,13.70758556,123.0575045,35.44307838,1.431199657,30.21926563,23.57583074,135.5329661,27.42434039,29.73312632,0,5.749511833,10.61962671,0.0,5.749511833,0.0,125.1144203,35.14014801,23.57583074,184.9739269,24.16967483,2.823684157,0.0,0,159.67,287.6781193,24.75582106,28.7672231,0,0,0,0,0,0,5.108808191,65.8568518,582.2023772,0.0,89.70782057,-1.813002853,-2.870125422,-55.52934034,-52.22939965,-45.30761639,-70.41071309,0.0,0.707317073,54,3,13,0,2,2,1,0,1,7,3,13,22,0,2,2,3,3.5743,207.9012,0,0,0,0,0,0,0,1,0,0,6,6,0,0,0,4,2,0,0,3,0,0,0,0,0,0,0,6,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.143539337,-1.009728356,120.0,118.0