,Source,Year,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
1,2006_Rezai_1,2006,Cyclosporine A,1,"[22, 932, 981, 1822, 1862, 2356, 7188, 7353]","['2011_White', '2015_Ahlbach', '2015_Bockus_1', '2016_Hickey', '2017_Price', '2018_Naylor', '2021_Lee', '2022_Lee']","[['-5.96'], ['-5.01'], ['-5.96'], ['-6.20'], ['-5.25'], ['-6.15', '-5.87'], ['-5.71', '-5.58'], ['-5.72']]","[['RRCK'], ['PAMPA'], ['RRCK'], ['PAMPA'], ['RRCK'], ['PAMPA', 'RRCK'], ['PAMPA', 'Caco2'], ['PAMPA']]",C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C,"PEPTIDE1{[Abu].[Sar].[meL].V.[meL].A.[dA].[meL].[meL].[meV].[Me_Bmt(E)]}$PEPTIDE1,PEPTIDE1,1:R1-11:R2$$$","PEPTIDE1{<a href=""/monomers/Abu/"">[Abu]</a>.<a href=""/monomers/Sar/"">[Sar]</a>.<a href=""/monomers/meL/"">[meL]</a>.<a href=""/monomers/V/"">V</a>.<a href=""/monomers/meL/"">[meL]</a>.<a href=""/monomers/A/"">A</a>.<a href=""/monomers/dA/"">[dA]</a>.<a href=""/monomers/meL/"">[meL]</a>.<a href=""/monomers/meL/"">[meL]</a>.<a href=""/monomers/meV/"">[meV]</a>.<a href=""/monomers/Me_Bmt(E)/"">[Me_Bmt(E)]</a>}$PEPTIDE1,PEPTIDE1,1:R1-11:R2$$$","['Abu', 'Sar', 'meL', 'V', 'meL', 'A', 'dA', 'meL', 'meL', 'meV', 'Me_Bmt(E)']","[0.1833, -0.2531, 1.1616, 0.4293, 1.1616, -0.2068, -0.2068, 1.1616, 1.1616, 0.7715, 1.7328]","[29.1, 20.31, 20.31, 29.1, 20.31, 29.1, 29.1, 20.31, 20.31, 20.31, 29.54]",11,11,Circle,-6.6,-6.6,,,,,,,,,,,,,,,15.12954023,-1.609939614,15.12954023,0.022871036,0.147924715,1202.635,1090.747,1201.841368,486,0,0.245643649,-0.390126486,0.390126486,0.245643649,0.458823529,0.870588235,1.317647059,16.27388977,9.910534612,2.454596888,-2.413470152,2.255130888,-2.632872478,5.992891031,-0.157223151,4.320268725,2325.075676,65.97699785,56.06519281,56.06519281,39.20908852,30.56184257,30.56184257,26.09260201,26.09260201,16.07656562,16.07656562,10.68129901,10.68129901,-6.13,7.7e+16,76.88267909,34.87150528,21.65558178,508.3945471,60.67304993,60.41840829,0.0,64.97897702,0.0,0.0,52.73990902,0.0,0.0,0.0,109.084361,100.7214837,49.33370388,12.64872279,57.84643642,64.97897702,0.0,55.56652253,41.42534232,222.7508368,55.87846028,12.15204021,0,0.0,21.26715442,0.0,0.0,0.0,226.7857075,52.73990902,41.42534232,156.2284621,12.15204021,0.0,0.0,0,278.8,155.7998262,48.25736205,9.589074368,55.7757323,6.420821623,9.799819462,87.68072693,54.5421805,61.4659177,21.26715442,0.0,0.0,0.0,168.5176416,23.06363415,0.0,-9.707807855,-12.32715344,3.042918338,29.32854506,9.915555435,0.790322581,85,5,23,0,1,1,0,0,0,12,5,23,15,0,1,1,1,3.269,328.4446,0,1,1,0,0,0,0,0,0,0,11,11,0,0,0,7,4,0,0,7,0,0,0,0,0,0,2,11,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.071536409,-0.870593543