 | | WGB | | Name: | (2~{S})-2-(methylamino)-3-[4-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]propanoic acid | | Formula: | C10 H13 N2 O4 | | SMILES: | CN[CH](Cc1ccc(cc1)[N-](O)=O)C(O)=O | | InChi: | InChI=1S/C10H13N2O4/c1-11-9(10(13)14)6-7-2-4-8(5-3-7)12(15)16/h2-5,9,11H,6H2,1H3,(H,13,14)(H,15,16)/q-1/t9-/m0/s1 | | Definition date: | 2023-10-03 | | Last modified: | 2024-09-27 | | Release date: | 2024-03-27 | | Identifier: | (2~{S})-2-(methylamino)-3-[4-[oxidanyl(oxidanylidene)azanuidyl]phenyl]propanoic acid |
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 | | WGE | | Name: | benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.4]nonane-2-carboxylate | | Formula: | C24 H33 N3 O5 | | SMILES: | O=C1NCCC1CC(CO)NC(=O)C1CC2(CCCC2)CN1C(=O)OCc1ccccc1 | | InChi: | InChI=1S/C24H33N3O5/c28-14-19(12-18-8-11-25-21(18)29)26-22(30)20-13-24(9-4-5-10-24)16-27(20)23(31)32-15-17-6-2-1-3-7-17/h1-3,6-7,18-20,28H,4-5,8-16H2,(H,25,29)(H,26,30)/t18-,19-,20-/m0/s1 | | Definition date: | 2023-05-12 | | Last modified: | 2024-09-27 | | Release date: | 2023-08-30 | | Identifier: | benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.4]nonane-2-carboxylate |
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 | | WGF | | Name: | 3-[(1-cyclopropyl-4,6-difluoro-1H-benzimidazol-5-yl)ethynyl]-1-[(3R,5R)-5-(methoxymethyl)-1-propanoylpyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide | | Formula: | C26 H29 F2 N7 O3 | | SMILES: | CCC(=O)N1CC(CC1COC)n1nc(C#Cc2c(F)cc3n(cnc3c2F)C2CC2)c(c1NC)C(N)=O | | InChi: | InChI=1S/C26H29F2N7O3/c1-4-21(36)33-11-15(9-16(33)12-38-3)35-26(30-2)22(25(29)37)19(32-35)8-7-17-18(27)10-20-24(23(17)28)31-13-34(20)14-5-6-14/h10,13-16,30H,4-6,9,11-12H2,1-3H3,(H2,29,37)/t15-,16+/m0/s1 | | Synonyms: | KIN-3248 | | Definition date: | 2023-10-03 | | Last modified: | 2024-09-27 | | Release date: | 2024-02-07 | | Identifier: | 3-[(1-cyclopropyl-4,6-difluoro-1H-benzimidazol-5-yl)ethynyl]-1-[(3R,5R)-5-(methoxymethyl)-1-propanoylpyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide |
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 | | TJ7 | | Name: | (2R,4S)-2-[(1S)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4
-carboxylic acid | | Formula: | C16 H20 N2 O7 S2 | | SMILES: | O=CC(OC)(C1SC(C(N1)C(O)=O)(C)C)NC(=O)C(C(O)=O)c2cscc2 | | InChi: | InChI=1S/C16H20N2O7S2/c1-15(2)10(13(23)24)17-14(27-15)16(7-19,25-3)18-11(20)9(12(21)22)8-4-5-26-6-8/h4-7,9-10,14,17H,1-3H3,(H,18,20)(H,21,22)(H,23,24)/t9-,10+,14-,16+/m1/s1 | | Synonyms: | temocillin | | Definition date: | 2019-10-15 | | Last modified: | 2024-09-27 | | Release date: | 2019-10-30 | | Identifier: | (2R,4S)-2-[(1S)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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 | | TXY | | Name: | 3-[(5S)-4,5-dihydroxycyclohexa-1,3-dien-1-yl]-L-alanine | | Formula: | C9 H13 N O4 | | SMILES: | O=C(O)C(N)CC1=CC=C(O)C(O)C1 | | InChi: | InChI=1S/C9H13NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,6,8,11-12H,3-4,10H2,(H,13,14)/t6-,8-/m0/s1 | | Definition date: | 2013-05-27 | | Last modified: | 2024-09-27 | | Release date: | 2014-06-25 | | Identifier: | 3-[(5S)-4,5-dihydroxycyclohexa-1,3-dien-1-yl]-L-alanine |
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 | | WGI | | Name: | benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.5]decane-2-carboxylate | | Formula: | C25 H35 N3 O5 | | SMILES: | O=C1NCCC1CC(CO)NC(=O)C1CC2(CCCCC2)CN1C(=O)OCc1ccccc1 | | InChi: | InChI=1S/C25H35N3O5/c29-15-20(13-19-9-12-26-22(19)30)27-23(31)21-14-25(10-5-2-6-11-25)17-28(21)24(32)33-16-18-7-3-1-4-8-18/h1,3-4,7-8,19-21,29H,2,5-6,9-17H2,(H,26,30)(H,27,31)/t19-,20-,21-/m0/s1 | | Definition date: | 2023-05-12 | | Last modified: | 2024-09-27 | | Release date: | 2023-08-30 | | Identifier: | benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.5]decane-2-carboxylate |
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 | | YBP | | Name: | ~{N}-(8-chloranylquinolin-2-yl)propanamide | | Formula: | C12 H11 Cl N2 O | | SMILES: | CCC(=O)Nc1ccc2cccc(Cl)c2n1 | | InChi: | InChI=1S/C12H11ClN2O/c1-2-11(16)14-10-7-6-8-4-3-5-9(13)12(8)15-10/h3-7H,2H2,1H3,(H,14,15,16) | | Definition date: | 2023-06-13 | | Last modified: | 2024-09-27 | | Release date: | 2023-06-28 | | Identifier: | ~{N}-(8-chloranylquinolin-2-yl)propanamide |
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 | | VL5 | | Name: | (2S)-2-[(Z)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(2S)-3-methyl-1-oxidanylidene-3-(sulfooxyamino)butan-2-yl]amino]-2-oxidanylidene-ethylidene]amino]oxy-3-[4-[N-[(3R)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid | | Formula: | C25 H34 N8 O10 S2 | | SMILES: | CC(C)(NO[S](O)(=O)=O)[CH](NC(=O)C(=NO[CH](COc1ccc(cc1)C(=N)N[CH]2CCCNC2)C(O)=O)c3csc(N)n3)C=O | | InChi: | InChI=1S/C25H34N8O10S2/c1-25(2,33-43-45(38,39)40)19(11-34)31-22(35)20(17-13-44-24(27)30-17)32-42-18(23(36)37)12-41-16-7-5-14(6-8-16)21(26)29-15-4-3-9-28-10-15/h5-8,11,13,15,18-19,28,33H,3-4,9-10,12H2,1-2H3,(H2,26,29)(H2,27,30)(H,31,35)(H,36,37)(H,38,39,40)/b32-20-/t15-,18+,19-/m1/s1 | | Synonyms: | AIC499 (bound) | | Definition date: | 2021-05-27 | | Last modified: | 2024-09-27 | | Release date: | 2021-08-04 | | Identifier: | (2~{S})-2-[(~{Z})-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(2~{S})-3-methyl-1-oxidanylidene-3-(sulfooxyamino)butan-2-yl]amino]-2-oxidanylidene-ethylidene]amino]oxy-3-[4-[~{N}-[(3~{R})-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid |
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 | | TY1 | | Name: | O-tert-butyl-L-tyrosine | | Formula: | C13 H19 N O3 | | SMILES: | O=C(O)C(N)Cc1ccc(OC(C)(C)C)cc1 | | InChi: | InChI=1S/C13H19NO3/c1-13(2,3)17-10-6-4-9(5-7-10)8-11(14)12(15)16/h4-7,11H,8,14H2,1-3H3,(H,15,16)/t11-/m0/s1 | | Definition date: | 2010-10-06 | | Last modified: | 2024-09-27 | | Identifier: | O-tert-butyl-L-tyrosine |
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 | | TY2 | | Name: | 3-AMINO-L-TYROSINE | | Formula: | C9 H12 N2 O3 | | SMILES: | O=C(O)C(N)Cc1ccc(O)c(N)c1 | | InChi: | InChI=1S/C9H12N2O3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,10-11H2,(H,13,14)/t7-/m0/s1 | | Definition date: | 2007-11-17 | | Last modified: | 2024-09-27 | | Identifier: | 3-amino-L-tyrosine |
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 | | WGO | | Name: | N~2~-{[2-(4-fluorophenoxy)-2-methylpropoxy]carbonyl}-N-{(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-L-leucinamide | | Formula: | C24 H36 F N3 O9 S | | SMILES: | CC(C)CC(NC(=O)OCC(C)(C)Oc1ccc(F)cc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | | InChi: | InChI=1S/C24H36FN3O9S/c1-14(2)11-18(28-23(32)36-13-24(3,4)37-17-7-5-16(25)6-8-17)21(30)27-19(22(31)38(33,34)35)12-15-9-10-26-20(15)29/h5-8,14-15,18-19,22,31H,9-13H2,1-4H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t15-,18-,19-,22+/m0/s1 | | Definition date: | 2022-09-08 | | Last modified: | 2024-09-27 | | Release date: | 2022-09-14 | | Identifier: | (1R,2S)-2-[(N-{[2-(4-fluorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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 | | VZT | | Name: | bis(4-fluorophenyl)methyl (1R,2S,5R)-2-({(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate | | Formula: | C29 H33 F2 N3 O5 | | SMILES: | O=C1NCCC1CC(CO)NC(=O)C1C2C(CN1C(=O)OC(c1ccc(F)cc1)c1ccc(F)cc1)C2(C)C | | InChi: | InChI=1S/C29H33F2N3O5/c1-29(2)22-14-34(24(23(22)29)27(37)33-21(15-35)13-18-11-12-32-26(18)36)28(38)39-25(16-3-7-19(30)8-4-16)17-5-9-20(31)10-6-17/h3-10,18,21-25,35H,11-15H2,1-2H3,(H,32,36)(H,33,37)/t18-,21+,22-,23-,24-/m0/s1 | | Definition date: | 2023-09-21 | | Last modified: | 2024-09-27 | | Release date: | 2024-09-25 | | Identifier: | bis(4-fluorophenyl)methyl (1R,2S,5R)-2-({(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate |
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 | | SBG | | Name: | O-[(S)-HYDROXY(METHYL)PHOSPHORYL]-L-SERINE | | Formula: | C4 H10 N O5 P | | SMILES: | O=P(OCC(C(=O)O)N)(O)C | | InChi: | InChI=1S/C4H10NO5P/c1-11(8,9)10-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)(H,8,9)/t3-/m0/s1 | | Definition date: | 2007-02-13 | | Last modified: | 2024-09-27 | | Identifier: | O-[(S)-hydroxy(methyl)phosphoryl]-L-serine |
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 | | TY5 | | Name: | O-benzyl-L-tyrosine | | Formula: | C16 H17 N O3 | | SMILES: | O=C(O)C(N)Cc2ccc(OCc1ccccc1)cc2 | | InChi: | InChI=1S/C16H17NO3/c17-15(16(18)19)10-12-6-8-14(9-7-12)20-11-13-4-2-1-3-5-13/h1-9,15H,10-11,17H2,(H,18,19)/t15-/m0/s1 | | Definition date: | 2010-12-10 | | Last modified: | 2024-09-27 | | Identifier: | O-benzyl-L-tyrosine |
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 | | UQO | | Name: | (1S,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | | Formula: | C24 H37 N3 O10 S2 | | SMILES: | CC(C)CC(NC(=O)OCC(C)(C)S(=O)(=O)c1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | | InChi: | InChI=1S/C24H37N3O10S2/c1-15(2)12-18(21(29)26-19(22(30)39(34,35)36)13-16-10-11-25-20(16)28)27-23(31)37-14-24(3,4)38(32,33)17-8-6-5-7-9-17/h5-9,15-16,18-19,22,30H,10-14H2,1-4H3,(H,25,28)(H,26,29)(H,27,31)(H,34,35,36)/t16-,18-,19-,22-/m0/s1 | | Definition date: | 2022-08-23 | | Last modified: | 2024-09-27 | | Release date: | 2022-09-21 | | Identifier: | (1S,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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 | | V5F | | Name: | (2R)-2-(2-azanylphenoxy)propanoic acid | | Formula: | C9 H11 N O3 | | SMILES: | C[CH](Oc1ccccc1N)C(O)=O | | InChi: | InChI=1S/C9H11NO3/c1-6(9(11)12)13-8-5-3-2-4-7(8)10/h2-6H,10H2,1H3,(H,11,12)/t6-/m1/s1 | | Definition date: | 2023-02-21 | | Last modified: | 2024-09-27 | | Release date: | 2023-07-19 | | Identifier: | (2~{R})-2-(2-azanylphenoxy)propanoic acid |
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 | | TY8 | | Name: | 2,4-bis(hydroperoxy)-5-hydroxy-L-phenylalanine | | Formula: | C9 H11 N O7 | | SMILES: | O=C(O)C(N)Cc1c(OO)cc(OO)c(O)c1 | | InChi: | InChI=1S/C9H11NO7/c10-5(9(12)13)1-4-2-6(11)8(17-15)3-7(4)16-14/h2-3,5,11,14-15H,1,10H2,(H,12,13)/t5-/m0/s1 | | Definition date: | 2010-07-19 | | Last modified: | 2024-09-27 | | Identifier: | 2,4-bis(hydroperoxy)-5-hydroxy-L-phenylalanine |
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 | | TJI | | Name: | ethyl 3-bromanyl-2-methyl-propanoate | | Formula: | C6 H11 Br O2 | | SMILES: | CCOC(=O)[CH](C)CBr | | InChi: | InChI=1S/C6H11BrO2/c1-3-9-6(8)5(2)4-7/h5H,3-4H2,1-2H3/t5-/m0/s1 | | Synonyms: | Ethyl 2-(bromomethyl)acrylate (precursor) | | Definition date: | 2023-01-06 | | Last modified: | 2024-09-27 | | Release date: | 2023-11-01 | | Identifier: | ethyl 3-bromanyl-2-methyl-propanoate |
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 | | TY9 | | Name: | 3,4-bis(hydroperoxy)-5-hydroxy-L-phenylalanine | | Formula: | C9 H11 N O7 | | SMILES: | O=C(O)C(N)Cc1cc(O)c(OO)c(OO)c1 | | InChi: | InChI=1S/C9H11NO7/c10-5(9(12)13)1-4-2-6(11)8(17-15)7(3-4)16-14/h2-3,5,11,14-15H,1,10H2,(H,12,13)/t5-/m0/s1 | | Definition date: | 2010-07-19 | | Last modified: | 2024-09-27 | | Identifier: | 3,4-bis(hydroperoxy)-5-hydroxy-L-phenylalanine |
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 | | WGU | | Name: | (1S,2S)-2-[(N-{[2-(4-fluorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | | Formula: | C24 H36 F N3 O9 S | | SMILES: | CC(C)CC(NC(=O)OCC(C)(C)Oc1ccc(F)cc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | | InChi: | InChI=1S/C24H36FN3O9S/c1-14(2)11-18(28-23(32)36-13-24(3,4)37-17-7-5-16(25)6-8-17)21(30)27-19(22(31)38(33,34)35)12-15-9-10-26-20(15)29/h5-8,14-15,18-19,22,31H,9-13H2,1-4H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t15-,18-,19-,22-/m0/s1 | | Definition date: | 2022-09-08 | | Last modified: | 2024-09-27 | | Release date: | 2022-09-14 | | Identifier: | (1S,2S)-2-[(N-{[2-(4-fluorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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 | | SQW | | Name: | propan-2-yl 4-indol-1-yl-4-oxidanylidene-butanoate | | Formula: | C15 H17 N O3 | | SMILES: | CC(C)OC(=O)CCC(=O)n1ccc2ccccc12 | | InChi: | InChI=1S/C15H17NO3/c1-11(2)19-15(18)8-7-14(17)16-10-9-12-5-3-4-6-13(12)16/h3-6,9-11H,7-8H2,1-2H3 | | Definition date: | 2020-11-30 | | Last modified: | 2024-09-27 | | Release date: | 2021-08-04 | | Identifier: | propan-2-yl 4-indol-1-yl-4-oxidanylidene-butanoate |
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 | | TYB | | Name: | TYROSINAL | | Formula: | C9 H11 N O2 | | SMILES: | O=CC(N)Cc1ccc(O)cc1 | | InChi: | InChI=1S/C9H11NO2/c10-8(6-11)5-7-1-3-9(12)4-2-7/h1-4,6,8,12H,5,10H2/t8-/m0/s1 | | Definition date: | 2000-12-01 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-2-amino-3-(4-hydroxyphenyl)propanal |
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 | | TYC | | Name: | L-TYROSINAMIDE | | Formula: | C9 H12 N2 O2 | | SMILES: | O=C(N)C(N)Cc1ccc(O)cc1 | | InChi: | InChI=1S/C9H12N2O2/c10-8(9(11)13)5-6-1-3-7(12)4-2-6/h1-4,8,12H,5,10H2,(H2,11,13)/t8-/m0/s1 | | Definition date: | 2004-12-06 | | Last modified: | 2024-09-27 | | Identifier: | L-tyrosinamide |
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 | | T4Y | | Name: | 1-{4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl}ethan-1-one | | Formula: | C15 H22 N2 O | | SMILES: | N2(CCCN(Cc1ccccc1C)CC2)C(=O)C | | InChi: | InChI=1S/C15H22N2O/c1-13-6-3-4-7-15(13)12-16-8-5-9-17(11-10-16)14(2)18/h3-4,6-7H,5,8-12H2,1-2H3 | | Definition date: | 2020-03-16 | | Last modified: | 2024-09-27 | | Release date: | 2020-03-25 | | Identifier: | 1-{4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl}ethan-1-one |
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 | | TYF | | Name: | (2S)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid | | Formula: | C9 H10 O4 | | SMILES: | O=C(O)C(O)Cc1ccc(O)cc1 | | InChi: | InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)/t8-/m0/s1 | | Definition date: | 2013-10-01 | | Last modified: | 2024-09-27 | | Release date: | 2013-10-30 | | Identifier: | (2S)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid |
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