diff --git "a/tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_Source_2021_Golosov.csv.jsonl" "b/tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_Source_2021_Golosov.csv.jsonl"
new file mode 100644--- /dev/null
+++ "b/tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_Source_2021_Golosov.csv.jsonl"
@@ -0,0 +1,27 @@
+{"dataset_id":"cycpeptmpdb","row":{"BCUT2D_CHGHI":"-1.88e-16","BCUT2D_CHGLO":"-2.695232323","BCUT2D_LOGPHI":"-8.67e-17","BCUT2D_LOGPLOW":"-2.883998486","BCUT2D_MRHI":"-5.55e-17","BCUT2D_MRLOW":"-1.131135936","BCUT2D_MWHI":"3.08e-16","BCUT2D_MWLOW":"-0.249291935","BalabanJ":"4.563609666","BertzCT":"4047.428515","CHCl3_3DPSA":"153.0","Caco2":"","Chi0":"95.25411216","Chi0n":"88.89648149","Chi0v":"26.71297807","Chi1":"50.34022225","Chi1n":"44.09810764","Chi1v":"13.78410906","Chi2n":"7.941518747","Chi2v":"8.553891183","Chi3n":"4.600150173","Chi3v":"5.17224391","Chi4n":"2.620504968","Chi4v":"3.034118107","Detection_Limit_1":"< -5.9","Detection_Limit_2":"","EPSA":"105.0","EState_VSA1":"290.8050692","EState_VSA10":"17.17244771","EState_VSA11":"28.7672231","EState_VSA2":"0","EState_VSA3":"0","EState_VSA4":"0","EState_VSA5":"0","EState_VSA6":"0","EState_VSA7":"0","EState_VSA8":"0.0","EState_VSA9":"74.26746317","ExactMolWt":"773.4509684","FpDensityMorgan1":"0.740740741","FpDensityMorgan2":"1.166666667","FpDensityMorgan3":"1.592592593","FractionCSP3":"0.666666667","H2O_3DPSA":"156.0","HELM":"PEPTIDE5642{F.[Nle].[Nle].[Nle].[Nle].[Mono100]}$PEPTIDE5642,PEPTIDE5642,1:R1-6:R2$$$","HELM_URL":"PEPTIDE5642{<a href=\"/monomers/F/\">F</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/Mono100/\">[Mono100]</a>}$PEPTIDE5642,PEPTIDE5642,1:R1-6:R2$$$","HallKierAlpha":"-4.14","HeavyAtomCount":"54","HeavyAtomMolWt":"710.538","ID":"5642","Ipc":"3.5e+35","Kappa1":"9.181567693","Kappa2":"25.80212046","Kappa3":"16.47853699","LabuteASA":"413.4909997","MDCK":"","MaxAbsEStateIndex":"16.11079334","MaxAbsPartialCharge":"0.357363271","MaxEStateIndex":"16.11079334","MaxPartialCharge":"0.243072403","MinAbsEStateIndex":"1.720627838","MinAbsPartialCharge":"0.243072403","MinEStateIndex":"-6.944428449","MinPartialCharge":"-0.357363271","MolLogP":"2.3915","MolMR":"211.2219","MolWt":"774.042","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"7","NOCount":"14","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"1","NumAliphaticRings":"1","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"0","NumAromaticRings":"1","NumHAcceptors":"8","NumHDonors":"7","NumHeteroatoms":"15","NumRadicalElectrons":"0","NumRotatableBonds":"20","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"1","NumSaturatedRings":"1","NumValenceElectrons":"302","Original_Name_in_Source_Literature":"Cmpd.1","PAMPA":"-5.9","PC1":"2.452109059","PC2":"0.863229299","PEOE_VSA1":"37.16869347","PEOE_VSA10":"36.10735481","PEOE_VSA11":"9.882894548","PEOE_VSA12":"41.35025811","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"33.56176029","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"11.76188495","PEOE_VSA6":"108.6030612","PEOE_VSA7":"31.0551511","PEOE_VSA8":"80.73784371","PEOE_VSA9":"20.783301","PSA":"","Permeability":"-5.9","RRCK":"-6.22","R_Caco2":"","R_MDCK":"","R_PAMAP":"","R_RRCK":"","RingCount":"2","SMILES":"CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@@H](C(=O)NC)NC(=O)[C@H](CCCC)NC(=O)[C@H](CCCC)NC(=O)[C@H](CCCC)NC1=O","SMR_VSA1":"120.207134","SMR_VSA10":"53.11214305","SMR_VSA2":"0.0","SMR_VSA3":"37.16869347","SMR_VSA4":"0.0","SMR_VSA5":"146.362947","SMR_VSA6":"18.38574067","SMR_VSA7":"35.77554503","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['F', 'Nle', 'Nle', 'Nle', 'Nle', 'Mono100']","Sequence_LogP":"[1.0159999999999998, 0.9635, 0.9635, 0.9635, 0.9635, -0.7474999999999998]","Sequence_TPSA":"[29.1, 29.1, 29.1, 29.1, 29.1, 58.2]","SlogP_VSA1":"37.16869347","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"11.76188495","SlogP_VSA2":"95.84335359","SlogP_VSA3":"39.93468519","SlogP_VSA4":"0.0","SlogP_VSA5":"186.2085979","SlogP_VSA6":"30.21209354","SlogP_VSA7":"9.882894548","SlogP_VSA8":"0.0","SlogP_VSA9":"0","Source":"2021_Golosov","Structurally_Unique_ID":"5642","TPSA":"203.7","T_PAMPA":"","VSA_EState1":"539.9724427","VSA_EState10":"-2.223024536","VSA_EState2":"109.6260045","VSA_EState3":"-17.29399561","VSA_EState4":"-13.90665701","VSA_EState5":"-29.82276726","VSA_EState6":"-49.91690555","VSA_EState7":"-77.41634928","VSA_EState8":"-25.01874794","VSA_EState9":"0.0","Version":"1.0","Year":"2021","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"0","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"7","fr_C_O_noCOO":"7","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"0","fr_NH1":"7","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"1","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"7","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"1","fr_benzodiazepine":"0","fr_bicyclic":"0","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"0","fr_furan":"0","fr_guanido":"0","fr_halogen":"0","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"0","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"0","fr_quatN":"0","fr_sulfide":"1","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.140779297"},"row_index":0,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2021_Golosov.csv"}
+{"dataset_id":"cycpeptmpdb","row":{"BCUT2D_CHGHI":"-1.74e-16","BCUT2D_CHGLO":"-2.709933851","BCUT2D_LOGPHI":"-1.34e-16","BCUT2D_LOGPLOW":"-2.871425074","BCUT2D_MRHI":"-1.13e-16","BCUT2D_MRLOW":"-1.1314117","BCUT2D_MWHI":"3.56e-16","BCUT2D_MWLOW":"-0.249291935","BalabanJ":"4.895405863","BertzCT":"4370.216142","CHCl3_3DPSA":"126.0","Caco2":"","Chi0":"102.7541122","Chi0n":"96.39648149","Chi0v":"28.21297807","Chi1":"53.97419684","Chi1n":"47.92728725","Chi1v":"14.45492945","Chi2n":"8.612339141","Chi2v":"9.224711576","Chi3n":"5.240196108","Chi3v":"5.812289845","Chi4n":"2.971417233","Chi4v":"3.476317465","Detection_Limit_1":"","Detection_Limit_2":"","EPSA":"69.0","EState_VSA1":"310.5028391","EState_VSA10":"28.90918025","EState_VSA11":"33.56176029","EState_VSA2":"0","EState_VSA3":"0","EState_VSA4":"0","EState_VSA5":"0","EState_VSA6":"0","EState_VSA7":"0","EState_VSA8":"0.0","EState_VSA9":"65.83749422","ExactMolWt":"815.4979185","FpDensityMorgan1":"0.789473684","FpDensityMorgan2":"1.315789474","FpDensityMorgan3":"1.894736842","FractionCSP3":"0.69047619","H2O_3DPSA":"127.0","HELM":"PEPTIDE5643{[meF].[Nle].[Nle].[Me_Nle].[Nle].[Mono101]}$PEPTIDE5643,PEPTIDE5643,1:R1-6:R2$$$","HELM_URL":"PEPTIDE5643{<a href=\"/monomers/meF/\">[meF]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/Me_Nle/\">[Me_Nle]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/Mono101/\">[Mono101]</a>}$PEPTIDE5643,PEPTIDE5643,1:R1-6:R2$$$","HallKierAlpha":"-4.14","HeavyAtomCount":"57","HeavyAtomMolWt":"746.571","ID":"5643","Ipc":"4.49e+40","Kappa1":"9.418270546","Kappa2":"25.97830422","Kappa3":"15.27862173","LabuteASA":"441.4713936","MDCK":"","MaxAbsEStateIndex":"16.74491352","MaxAbsPartialCharge":"0.35735691","MaxEStateIndex":"16.74491352","MaxPartialCharge":"0.245099259","MinAbsEStateIndex":"1.833198503","MinAbsPartialCharge":"0.245099259","MinEStateIndex":"-7.354125113","MinPartialCharge":"-0.35735691","MolLogP":"3.4181","MolMR":"225.1038","MolWt":"816.123","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"4","NOCount":"14","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"1","NumAliphaticRings":"1","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"0","NumAromaticRings":"1","NumHAcceptors":"8","NumHDonors":"4","NumHeteroatoms":"15","NumRadicalElectrons":"0","NumRotatableBonds":"23","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"1","NumSaturatedRings":"1","NumValenceElectrons":"320","Original_Name_in_Source_Literature":"Cmpd.1a","PAMPA":"-4.3","PC1":"2.229191648","PC2":"1.178901229","PEOE_VSA1":"35.93898261","PEOE_VSA10":"36.10735481","PEOE_VSA11":"5.647368313","PEOE_VSA12":"41.35025811","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"33.56176029","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"11.76188495","PEOE_VSA6":"108.6030612","PEOE_VSA7":"31.0551511","PEOE_VSA8":"114.0021514","PEOE_VSA9":"20.783301","PSA":"","Permeability":"-4.3","RRCK":"-5.1","R_Caco2":"","R_MDCK":"","R_PAMAP":"","R_RRCK":"","RingCount":"2","SMILES":"CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)CSC[C@@H](C(=O)NC)N(C)C(=O)[C@H](CCCC)NC(=O)[C@H](CCCC)N(C)C(=O)[C@H](CCCC)NC1=O","SMR_VSA1":"128.3084348","SMR_VSA10":"53.11214305","SMR_VSA2":"0.0","SMR_VSA3":"35.93898261","SMR_VSA4":"0.0","SMR_VSA5":"146.362947","SMR_VSA6":"39.31322137","SMR_VSA7":"35.77554503","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['meF', 'Nle', 'Nle', 'Me_Nle', 'Nle', 'Mono101']","Sequence_LogP":"[1.3581999999999996, 0.9635, 0.9635, 1.3057, 0.9635, -0.4052999999999995]","Sequence_TPSA":"[20.31, 29.1, 29.1, 20.31, 29.1, 49.41]","SlogP_VSA1":"21.23925341","SlogP_VSA10":"0.0","SlogP_VSA11":"0.0","SlogP_VSA12":"11.76188495","SlogP_VSA2":"131.4705635","SlogP_VSA3":"39.93468519","SlogP_VSA4":"0.0","SlogP_VSA5":"198.5454249","SlogP_VSA6":"30.21209354","SlogP_VSA7":"5.647368313","SlogP_VSA8":"0.0","SlogP_VSA9":"0","Source":"2021_Golosov","Structurally_Unique_ID":"5643","TPSA":"177.33","T_PAMPA":"","VSA_EState1":"599.5294443","VSA_EState10":"-2.4857828","VSA_EState2":"105.5892268","VSA_EState3":"-10.63694905","VSA_EState4":"-14.88411936","VSA_EState5":"-31.84442818","VSA_EState6":"-52.90626935","VSA_EState7":"-80.48351216","VSA_EState8":"-44.12761025","VSA_EState9":"0.0","Version":"1.0","Year":"2021","_3DPSA":"","fr_Al_COO":"0","fr_Al_OH":"0","fr_Al_OH_noTert":"0","fr_ArN":"0","fr_Ar_COO":"0","fr_Ar_N":"0","fr_Ar_NH":"0","fr_Ar_OH":"0","fr_COO":"0","fr_COO2":"0","fr_C_O":"7","fr_C_O_noCOO":"7","fr_C_S":"0","fr_HOCCN":"0","fr_Imine":"0","fr_NH0":"3","fr_NH1":"4","fr_NH2":"0","fr_N_O":"0","fr_Ndealkylation1":"4","fr_Ndealkylation2":"0","fr_Nhpyrrole":"0","fr_SH":"0","fr_aldehyde":"0","fr_alkyl_carbamate":"0","fr_alkyl_halide":"0","fr_allylic_oxid":"0","fr_amide":"7","fr_amidine":"0","fr_aniline":"0","fr_aryl_methyl":"0","fr_azide":"0","fr_azo":"0","fr_barbitur":"0","fr_benzene":"1","fr_benzodiazepine":"0","fr_bicyclic":"0","fr_diazo":"0","fr_dihydropyridine":"0","fr_epoxide":"0","fr_ester":"0","fr_ether":"0","fr_furan":"0","fr_guanido":"0","fr_halogen":"0","fr_hdrzine":"0","fr_hdrzone":"0","fr_imidazole":"0","fr_imide":"0","fr_isocyan":"0","fr_isothiocyan":"0","fr_ketone":"0","fr_ketone_Topliss":"0","fr_lactam":"0","fr_lactone":"0","fr_methoxy":"0","fr_morpholine":"0","fr_nitrile":"0","fr_nitro":"0","fr_nitro_arom":"0","fr_nitro_arom_nonortho":"0","fr_nitroso":"0","fr_oxazole":"0","fr_oxime":"0","fr_para_hydroxylation":"0","fr_phenol":"0","fr_phenol_noOrthoHbond":"0","fr_phos_acid":"0","fr_phos_ester":"0","fr_piperdine":"0","fr_piperzine":"0","fr_priamide":"0","fr_prisulfonamd":"0","fr_pyridine":"0","fr_quatN":"0","fr_sulfide":"1","fr_sulfonamd":"0","fr_sulfone":"0","fr_term_acetylene":"0","fr_tetrazole":"0","fr_thiazole":"0","fr_thiocyan":"0","fr_thiophene":"0","fr_unbrch_alkane":"0","fr_urea":"0","qed":"0.208332577"},"row_index":1,"source_file":"peptide/cycpeptmpdb/CycPeptMPDB_Peptide_Source_2021_Golosov.csv"}
+{"dataset_id":"cycpeptmpdb","row":{"BCUT2D_CHGHI":"-1.81e-16","BCUT2D_CHGLO":"-2.712781084","BCUT2D_LOGPHI":"-1.32e-16","BCUT2D_LOGPLOW":"-2.870101009","BCUT2D_MRHI":"-1.17e-16","BCUT2D_MRLOW":"-1.131462119","BCUT2D_MWHI":"2.38e-16","BCUT2D_MWLOW":"-0.249291935","BalabanJ":"4.804754785","BertzCT":"4262.24241","CHCl3_3DPSA":"157.0","Caco2":"","Chi0":"100.2541122","Chi0n":"93.89648149","Chi0v":"27.71297807","Chi1":"52.76287198","Chi1n":"46.65089405","Chi1v":"14.23132265","Chi2n":"8.388732343","Chi2v":"9.001104779","Chi3n":"5.026847463","Chi3v":"5.5989412","Chi4n":"2.877951914","Chi4v":"3.291565052","Detection_Limit_1":"","Detection_Limit_2":"","EPSA":"74.0","EState_VSA1":"303.9369158","EState_VSA10":"29.55035824","EState_VSA11":"28.7672231","EState_VSA2":"0","EState_VSA3":"0","EState_VSA4":"0","EState_VSA5":"0","EState_VSA6":"0","EState_VSA7":"0","EState_VSA8":"0.0","EState_VSA9":"67.29041982","ExactMolWt":"801.4822685","FpDensityMorgan1":"0.803571429","FpDensityMorgan2":"1.321428571","FpDensityMorgan3":"1.839285714","FractionCSP3":"0.682926829","H2O_3DPSA":"158.0","HELM":"PEPTIDE5644{F.[Nle].[Me_Nle].[Nle].[Me_Nle].[Mono100]}$PEPTIDE5644,PEPTIDE5644,1:R1-6:R2$$$","HELM_URL":"PEPTIDE5644{<a href=\"/monomers/F/\">F</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/Me_Nle/\">[Me_Nle]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/Me_Nle/\">[Me_Nle]</a>.<a href=\"/monomers/Mono100/\">[Mono100]</a>}$PEPTIDE5644,PEPTIDE5644,1:R1-6:R2$$$","HallKierAlpha":"-4.14","HeavyAtomCount":"56","HeavyAtomMolWt":"734.56","ID":"5644","Ipc":"3.5e+38","Kappa1":"9.337630348","Kappa2":"25.9073947","Kappa3":"15.41973115","LabuteASA":"432.1445956","MDCK":"","MaxAbsEStateIndex":"16.62865727","MaxAbsPartialCharge":"0.357363271","MaxEStateIndex":"16.62865727","MaxPartialCharge":"0.245070428","MinAbsEStateIndex":"1.771646188","MinAbsPartialCharge":"0.245070428","MinEStateIndex":"-7.33013742","MinPartialCharge":"-0.357363271","MolLogP":"3.0759","MolMR":"220.4765","MolWt":"802.096","Molecule_Shape":"Circle","Monomer_Length":"6","Monomer_Length_in_Main_Chain":"6","NHOHCount":"5","NOCount":"14","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"1","NumAliphaticRings":"1","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"0","NumAromaticRings":"1","NumHAcceptors":"8","NumHDonors":"5","NumHeteroatoms":"15","NumRadicalElectrons":"0","NumRotatableBonds":"22","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"1","NumSaturatedRings":"1","NumValenceElectrons":"314","Original_Name_in_Source_Literature":"Cmpd.1b","PAMPA":"-4.3","PC1":"2.271076672","PC2":"1.096638651","PEOE_VSA1":"36.34888623","PEOE_VSA10":"36.10735481","PEOE_VSA11":"7.059210392","PEOE_VSA12":"41.35025811","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"33.56176029","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"11.76188495","PEOE_VSA6":"108.6030612","PEOE_VSA7":"31.0551511","PEOE_VSA8":"102.9140489","PEOE_VSA9":"20.783301","PSA":"","Permeability":"-4.3","RRCK":"-5.41","R_Caco2":"","R_MDCK":"","R_PAMAP":"","R_RRCK":"","RingCount":"2","SMILES":"CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@@H](C(=O)NC)NC(=O)[C@H](CCCC)N(C)C(=O)[C@H](CCCC)NC(=O)[C@H](CCCC)N(C)C1=O","SMR_VSA1":"125.6080012","SMR_VSA10":"53.11214305","SMR_VSA2":"0.0","SMR_VSA3":"36.34888623","SMR_VSA4":"0.0","SMR_VSA5":"146.362947","SMR_VSA6":"32.33739447","SMR_VSA7":"35.77554503","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['F', 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href=\"/monomers/Mono100/\">[Mono100]</a>}$PEPTIDE5665,PEPTIDE5665,1:R1-8:R2$$$","HallKierAlpha":"-5.2","HeavyAtomCount":"74","HeavyAtomMolWt":"962.726","ID":"5665","Ipc":"1.0199999999999999e+60","Kappa1":"11.93270832","Kappa2":"35.13068891","Kappa3":"20.49252004","LabuteASA":"577.6257298","MDCK":"","MaxAbsEStateIndex":"17.69631221","MaxAbsPartialCharge":"0.357363271","MaxEStateIndex":"17.69631221","MaxPartialCharge":"0.245416087","MinAbsEStateIndex":"2.013462373","MinAbsPartialCharge":"0.245416087","MinEStateIndex":"-8.106707521","MinPartialCharge":"-0.357363271","MolLogP":"5.1103","MolMR":"292.6425","MolWt":"1056.47","Molecule_Shape":"Circle","Monomer_Length":"8","Monomer_Length_in_Main_Chain":"8","NHOHCount":"5","NOCount":"18","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"1","NumAliphaticRings":"1","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"0","NumAromaticRings":"1","NumHAcceptors":"10","NumHDonors":"5","NumHeteroatoms":"19","NumRadicalElectrons":"0","NumRotatableBonds":"32","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"1","NumSaturatedRings":"1","NumValenceElectrons":"418","Original_Name_in_Source_Literature":"Cmpd.9a","PAMPA":"","PC1":"-1.949763509","PC2":"1.998175912","PEOE_VSA1":"46.14870569","PEOE_VSA10":"48.14313975","PEOE_VSA11":"7.059210392","PEOE_VSA12":"53.16461756","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"43.15083466","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"11.76188495","PEOE_VSA6":"147.7985451","PEOE_VSA7":"43.8010009","PEOE_VSA8":"149.763908","PEOE_VSA9":"23.52481812","PSA":"","Permeability":"-6.46","RRCK":"-6.46","R_Caco2":"","R_MDCK":"","R_PAMAP":"","R_RRCK":"","RingCount":"2","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CCCC)N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](CCCC)NC(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@@H](C(=O)NC)NC1=O","SMR_VSA1":"170.836798","SMR_VSA10":"64.92650251","SMR_VSA2":"0.0","SMR_VSA3":"46.14870569","SMR_VSA4":"0.0","SMR_VSA5":"210.3400656","SMR_VSA6":"46.28904827","SMR_VSA7":"35.77554503","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['F', 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+{"dataset_id":"cycpeptmpdb","row":{"BCUT2D_CHGHI":"-2.65e-16","BCUT2D_CHGLO":"-2.71607643","BCUT2D_LOGPHI":"-2.15e-16","BCUT2D_LOGPLOW":"-2.879913399","BCUT2D_MRHI":"-1.36e-16","BCUT2D_MRLOW":"-1.131557279","BCUT2D_MWHI":"3e-16","BCUT2D_MWLOW":"-0.249291935","BalabanJ":"5.341872524","BertzCT":"5890.020496","CHCl3_3DPSA":"165.0","Caco2":"","Chi0":"134.0635132","Chi0n":"126.1074053","Chi0v":"35.92390185","Chi1":"70.10496513","Chi1n":"62.62438992","Chi1v":"18.25760493","Chi2n":"10.89346466","Chi2v":"11.5058371","Chi3n":"6.558849361","Chi3v":"7.130943098","Chi4n":"3.724918182","Chi4v":"4.184174867","Detection_Limit_1":"< -6.46","Detection_Limit_2":"","EPSA":"73.0","EState_VSA1":"396.9139438","EState_VSA10":"42.69893285","EState_VSA11":"43.15083466","EState_VSA2":"0","EState_VSA3":"0","EState_VSA4":"0","EState_VSA5":"0","EState_VSA6":"0","EState_VSA7":"0","EState_VSA8":"0.0","EState_VSA9":"82.28659689","ExactMolWt":"1041.666046","FpDensityMorgan1":"0.616438356","FpDensityMorgan2":"1.02739726","FpDensityMorgan3":"1.479452055","FractionCSP3":"0.722222222","H2O_3DPSA":"182.0","HELM":"PEPTIDE5666{[Me_dF].[Nle].[Me_Nle].[Nle].[Me_Nle].[Nle].[Nle].[Mono100]}$PEPTIDE5666,PEPTIDE5666,1:R1-8:R2$$$","HELM_URL":"PEPTIDE5666{<a href=\"/monomers/Me_dF/\">[Me_dF]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/Me_Nle/\">[Me_Nle]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/Me_Nle/\">[Me_Nle]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/Mono100/\">[Mono100]</a>}$PEPTIDE5666,PEPTIDE5666,1:R1-8:R2$$$","HallKierAlpha":"-5.2","HeavyAtomCount":"73","HeavyAtomMolWt":"950.715","ID":"5666","Ipc":"4.96e+58","Kappa1":"11.84756415","Kappa2":"35.07975509","Kappa3":"21.28348286","LabuteASA":"568.2989318","MDCK":"","MaxAbsEStateIndex":"17.31517367","MaxAbsPartialCharge":"0.357363271","MaxEStateIndex":"17.31517367","MaxPartialCharge":"0.245070429","MinAbsEStateIndex":"2.02205507","MinAbsPartialCharge":"0.245070429","MinEStateIndex":"-7.820746397","MinPartialCharge":"-0.357363271","MolLogP":"4.7681","MolMR":"288.0152","MolWt":"1042.443","Molecule_Shape":"Circle","Monomer_Length":"8","Monomer_Length_in_Main_Chain":"8","NHOHCount":"6","NOCount":"18","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"1","NumAliphaticRings":"1","NumAromaticCarbocycles":"1","NumAromaticHeterocycles":"0","NumAromaticRings":"1","NumHAcceptors":"10","NumHDonors":"6","NumHeteroatoms":"19","NumRadicalElectrons":"0","NumRotatableBonds":"31","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"1","NumSaturatedRings":"1","NumValenceElectrons":"412","Original_Name_in_Source_Literature":"Cmpd.10a","PAMPA":"","PC1":"-1.756181787","PC2":"1.89586583","PEOE_VSA1":"46.55860931","PEOE_VSA10":"48.14313975","PEOE_VSA11":"8.47105247","PEOE_VSA12":"53.16461756","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"43.15083466","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"11.76188495","PEOE_VSA6":"147.7985451","PEOE_VSA7":"43.8010009","PEOE_VSA8":"138.6758054","PEOE_VSA9":"23.52481812","PSA":"","Permeability":"-6.46","RRCK":"-6.46","R_Caco2":"","R_MDCK":"","R_PAMAP":"","R_RRCK":"","RingCount":"2","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CCCC)NC(=O)[C@H](CCCC)N(C)C(=O)[C@H](CCCC)NC(=O)[C@H](CCCC)N(C)C(=O)[C@H](CCCC)NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)CSC[C@@H](C(=O)NC)NC1=O","SMR_VSA1":"168.1363644","SMR_VSA10":"64.92650251","SMR_VSA2":"0.0","SMR_VSA3":"46.55860931","SMR_VSA4":"0.0","SMR_VSA5":"210.3400656","SMR_VSA6":"39.31322137","SMR_VSA7":"35.77554503","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['Me_dF', 'Nle', 'Me_Nle', 'Nle', 'Me_Nle', 'Nle', 'Nle', 'Mono100']","Sequence_LogP":"[1.3581999999999996, 0.9635, 1.3057, 0.9635, 1.3057, 0.9635, 0.9635, -0.7474999999999998]","Sequence_TPSA":"[20.31, 29.1, 20.31, 29.1, 20.31, 29.1, 29.1, 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-6.46","Detection_Limit_2":"","EPSA":"85.0","EState_VSA1":"413.0917469","EState_VSA10":"42.69893285","EState_VSA11":"43.15083466","EState_VSA2":"0","EState_VSA3":"0","EState_VSA4":"0","EState_VSA5":"0","EState_VSA6":"0","EState_VSA7":"0","EState_VSA8":"0.0","EState_VSA9":"79.54507978","ExactMolWt":"1075.650396","FpDensityMorgan1":"0.592105263","FpDensityMorgan2":"1.013157895","FpDensityMorgan3":"1.486842105","FractionCSP3":"0.631578947","H2O_3DPSA":"186.0","HELM":"PEPTIDE5667{[Me_dF].[Nle].[Me_Nle].[Nle].[Me_Nle].[Nle].F.[Mono100]}$PEPTIDE5667,PEPTIDE5667,1:R1-8:R2$$$","HELM_URL":"PEPTIDE5667{<a href=\"/monomers/Me_dF/\">[Me_dF]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/Me_Nle/\">[Me_Nle]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/Me_Nle/\">[Me_Nle]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/F/\">F</a>.<a href=\"/monomers/Mono100/\">[Mono100]</a>}$PEPTIDE5667,PEPTIDE5667,1:R1-8:R2$$$","HallKierAlpha":"-5.98","HeavyAtomCount":"76","HeavyAtomMolWt":"986.748","ID":"5667","Ipc":"1.6000000000000001e+59","Kappa1":"12.86507646","Kappa2":"34.6357668","Kappa3":"20.52028713","LabuteASA":"581.4512587","MDCK":"","MaxAbsEStateIndex":"17.36541657","MaxAbsPartialCharge":"0.357363271","MaxEStateIndex":"17.36541657","MaxPartialCharge":"0.245070429","MinAbsEStateIndex":"1.98891267","MinAbsPartialCharge":"0.245070429","MinEStateIndex":"-7.789093714","MinPartialCharge":"-0.357363271","MolLogP":"4.8206","MolMR":"298.6362","MolWt":"1076.46","Molecule_Shape":"Circle","Monomer_Length":"8","Monomer_Length_in_Main_Chain":"8","NHOHCount":"6","NOCount":"18","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"1","NumAliphaticRings":"1","NumAromaticCarbocycles":"2","NumAromaticHeterocycles":"0","NumAromaticRings":"2","NumHAcceptors":"10","NumHDonors":"6","NumHeteroatoms":"19","NumRadicalElectrons":"0","NumRotatableBonds":"29","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"1","NumSaturatedRings":"1","NumValenceElectrons":"422","Original_Name_in_Source_Literature":"Cmpd.10b","PAMPA":"","PC1":"-1.498365194","PC2":"3.190114289","PEOE_VSA1":"46.55860931","PEOE_VSA10":"48.14313975","PEOE_VSA11":"8.47105247","PEOE_VSA12":"53.16461756","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"43.15083466","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"11.76188495","PEOE_VSA6":"158.4128967","PEOE_VSA7":"42.99152749","PEOE_VSA8":"135.4534204","PEOE_VSA9":"30.3786109","PSA":"","Permeability":"-6.46","RRCK":"-6.46","R_Caco2":"","R_MDCK":"","R_PAMAP":"","R_RRCK":"","RingCount":"3","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CCCC)N(C)C(=O)[C@H](CCCC)NC(=O)[C@H](CCCC)N(C)C(=O)[C@H](CCCC)NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)CSC[C@@H](C(=O)NC)NC(=O)[C@H](Cc2ccccc2)NC1=O","SMR_VSA1":"165.3948473","SMR_VSA10":"64.92650251","SMR_VSA2":"0.0","SMR_VSA3":"46.55860931","SMR_VSA4":"0.0","SMR_VSA5":"190.7423237","SMR_VSA6":"39.31322137","SMR_VSA7":"71.55109006","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['Me_dF', 'Nle', 'Me_Nle', 'Nle', 'Me_Nle', 'Nle', 'F', 'Mono100']","Sequence_LogP":"[1.3581999999999996, 0.9635, 1.3057, 0.9635, 1.3057, 0.9635, 1.0159999999999998, -0.7474999999999998]","Sequence_TPSA":"[20.31, 29.1, 20.31, 29.1, 20.31, 29.1, 29.1, 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+{"dataset_id":"cycpeptmpdb","row":{"BCUT2D_CHGHI":"-1.98e-16","BCUT2D_CHGLO":"-2.712884366","BCUT2D_LOGPHI":"-1.56e-16","BCUT2D_LOGPLOW":"-2.884184284","BCUT2D_MRHI":"-6.74e-17","BCUT2D_MRLOW":"-1.131450774","BCUT2D_MWHI":"1.29e-15","BCUT2D_MWLOW":"-0.249291935","BalabanJ":"4.011033923","BertzCT":"5961.595992","CHCl3_3DPSA":"207.0","Caco2":"","Chi0":"129.7347216","Chi0n":"121.0156536","Chi0v":"36.83215014","Chi1":"69.09105178","Chi1n":"60.23676236","Chi1v":"18.96172908","Chi2n":"11.59758881","Chi2v":"12.20996124","Chi3n":"7.030523943","Chi3v":"7.60261768","Chi4n":"4.041395062","Chi4v":"4.500651747","Detection_Limit_1":"< -6.46","Detection_Limit_2":"","EPSA":"86.0","EState_VSA1":"400.0529902","EState_VSA10":"41.3281743","EState_VSA11":"43.15083466","EState_VSA2":"0","EState_VSA3":"0","EState_VSA4":"0","EState_VSA5":"0","EState_VSA6":"0","EState_VSA7":"0","EState_VSA8":"5.108808191","EState_VSA9":"75.49324521","ExactMolWt":"1063.614011","FpDensityMorgan1":"0.706666667","FpDensityMorgan2":"1.213333333","FpDensityMorgan3":"1.76","FractionCSP3":"0.618181818","H2O_3DPSA":"195.0","HELM":"PEPTIDE5668{[Me_dF].T.[Me_Nle].[Nle].[Me_Nle].[Nle].F.[Mono100]}$PEPTIDE5668,PEPTIDE5668,1:R1-8:R2$$$","HELM_URL":"PEPTIDE5668{<a href=\"/monomers/Me_dF/\">[Me_dF]</a>.<a href=\"/monomers/T/\">T</a>.<a href=\"/monomers/Me_Nle/\">[Me_Nle]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/Me_Nle/\">[Me_Nle]</a>.<a href=\"/monomers/Nle/\">[Nle]</a>.<a href=\"/monomers/F/\">F</a>.<a href=\"/monomers/Mono100/\">[Mono100]</a>}$PEPTIDE5668,PEPTIDE5668,1:R1-8:R2$$$","HallKierAlpha":"-6.02","HeavyAtomCount":"75","HeavyAtomMolWt":"978.725","ID":"5668","Ipc":"1.9500000000000002e+56","Kappa1":"13.1023042","Kappa2":"33.10624735","Kappa3":"19.88971337","LabuteASA":"567.9823964","MDCK":"","MaxAbsEStateIndex":"17.27735593","MaxAbsPartialCharge":"0.390716755","MaxEStateIndex":"17.27735593","MaxPartialCharge":"0.24776263","MinAbsEStateIndex":"1.953376611","MinAbsPartialCharge":"0.24776263","MinEStateIndex":"-7.704650518","MinPartialCharge":"-0.390716755","MolLogP":"3.0112","MolMR":"290.792","MolWt":"1064.405","Molecule_Shape":"Circle","Monomer_Length":"8","Monomer_Length_in_Main_Chain":"8","NHOHCount":"7","NOCount":"19","NULL":"","NumAliphaticCarbocycles":"0","NumAliphaticHeterocycles":"1","NumAliphaticRings":"1","NumAromaticCarbocycles":"2","NumAromaticHeterocycles":"0","NumAromaticRings":"2","NumHAcceptors":"11","NumHDonors":"7","NumHeteroatoms":"20","NumRadicalElectrons":"0","NumRotatableBonds":"28","NumSaturatedCarbocycles":"0","NumSaturatedHeterocycles":"1","NumSaturatedRings":"1","NumValenceElectrons":"416","Original_Name_in_Source_Literature":"Cmpd.10c","PAMPA":"","PC1":"-1.556843765","PC2":"3.432392619","PEOE_VSA1":"51.6674175","PEOE_VSA10":"48.14313975","PEOE_VSA11":"8.47105247","PEOE_VSA12":"54.59581722","PEOE_VSA13":"0.0","PEOE_VSA14":"0.0","PEOE_VSA2":"43.15083466","PEOE_VSA3":"0.0","PEOE_VSA4":"0.0","PEOE_VSA5":"11.76188495","PEOE_VSA6":"138.8151548","PEOE_VSA7":"43.47049471","PEOE_VSA8":"127.2288691","PEOE_VSA9":"37.82938748","PSA":"","Permeability":"-6.46","RRCK":"-6.46","R_Caco2":"","R_MDCK":"","R_PAMAP":"","R_RRCK":"","RingCount":"3","SMILES":"CCCC[C@@H]1NC(=O)[C@H](CCCC)N(C)C(=O)[C@H](CCCC)NC(=O)[C@H](CCCC)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)CSC[C@@H](C(=O)NC)NC(=O)[C@H](Cc2ccccc2)NC1=O","SMR_VSA1":"163.6498627","SMR_VSA10":"64.92650251","SMR_VSA2":"1.431199657","SMR_VSA3":"46.55860931","SMR_VSA4":"0.0","SMR_VSA5":"177.703567","SMR_VSA6":"39.31322137","SMR_VSA7":"71.55109006","SMR_VSA8":"0","SMR_VSA9":"0.0","Same_Peptides_Assay":"","Same_Peptides_ID":"","Same_Peptides_Permeability":"","Same_Peptides_Source":"","Sequence":"['Me_dF', 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