 | | RF9 | | Name: | N~6~-[(1R)-1-carboxyethyl]-L-lysine | | Formula: | C9 H18 N2 O4 | | SMILES: | NC(CCCCNC(C)C(O)=O)C(O)=O | | InChi: | InChI=1S/C9H18N2O4/c1-6(8(12)13)11-5-3-2-4-7(10)9(14)15/h6-7,11H,2-5,10H2,1H3,(H,12,13)(H,14,15)/t6-,7+/m1/s1 | | Definition date: | 2019-02-05 | | Last modified: | 2023-11-03 | | Release date: | 2019-02-27 | | Identifier: | N~6~-[(1R)-1-carboxyethyl]-L-lysine |
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 | | 33S | | Name: | 3-iodo-L-phenylalanine | | Formula: | C9 H10 I N O2 | | SMILES: | Ic1cc(ccc1)CC(C(=O)O)N | | InChi: | InChI=1S/C9H10INO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1 | | Definition date: | 2014-06-13 | | Last modified: | 2023-11-03 | | Release date: | 2014-11-12 | | Identifier: | 3-iodo-L-phenylalanine |
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 | | RFF | | Name: | (4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(1-methyl-1H-pyrazolo[4,3-c]pyridin-7-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C22 H21 Cl N6 O3 S | | SMILES: | Cn1ncc2cncc(NC(=O)C3CN(Cc4ccc(Cl)cc43)S(=O)(=O)CC3(C#N)CC3)c12 | | InChi: | InChI=1S/C22H21ClN6O3S/c1-28-20-15(8-26-28)7-25-9-19(20)27-21(30)18-11-29(10-14-2-3-16(23)6-17(14)18)33(31,32)13-22(12-24)4-5-22/h2-3,6-9,18H,4-5,10-11,13H2,1H3,(H,27,30)/t18-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(1-methyl-1H-pyrazolo[4,3-c]pyridin-7-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | 33X | | Name: | N-methyl-D-alanine | | Formula: | C4 H9 N O2 | | SMILES: | O=C(O)C(NC)C | | InChi: | InChI=1S/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m1/s1 | | Definition date: | 2014-06-16 | | Last modified: | 2023-11-03 | | Release date: | 2014-11-12 | | Identifier: | N-methyl-D-alanine |
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 | | RFR | | Name: | (4S)-6-chloro-N-{6-[(methanesulfonyl)amino]isoquinolin-4-yl}-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C23 H24 Cl N5 O4 S | | SMILES: | CS(=O)(=O)Nc1cc2c(cc1)cncc2NC(=O)C1CN(Cc2ccc(Cl)cc21)CC(=O)NC | | InChi: | InChI=1S/C23H24ClN5O4S/c1-25-22(30)13-29-11-15-3-5-16(24)7-18(15)20(12-29)23(31)27-21-10-26-9-14-4-6-17(8-19(14)21)28-34(2,32)33/h3-10,20,28H,11-13H2,1-2H3,(H,25,30)(H,27,31)/t20-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-{6-[(methanesulfonyl)amino]isoquinolin-4-yl}-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | 34E | | Name: | (3R)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-methyl-L-valine | | Formula: | C13 H27 N3 O3 | | SMILES: | O=C(O)C(NC)C(C)CN1CCN(CCOC)CC1 | | InChi: | InChI=1S/C13H27N3O3/c1-11(12(14-2)13(17)18)10-16-6-4-15(5-7-16)8-9-19-3/h11-12,14H,4-10H2,1-3H3,(H,17,18)/t11-,12+/m1/s1 | | Definition date: | 2014-06-16 | | Last modified: | 2023-11-03 | | Release date: | 2014-11-12 | | Identifier: | (3R)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-methyl-L-valine |
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 | | RG3 | | Name: | (4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C23 H21 Cl N4 O5 S | | SMILES: | CS(=O)(=O)c1ccc2c(c1)cncc2NC(=O)C1CN(CC(=O)NC)C(=O)c2ccc(Cl)cc21 | | InChi: | InChI=1S/C23H21ClN4O5S/c1-25-21(29)12-28-11-19(18-8-14(24)3-5-17(18)23(28)31)22(30)27-20-10-26-9-13-7-15(34(2,32)33)4-6-16(13)20/h3-10,19H,11-12H2,1-2H3,(H,25,29)(H,27,30)/t19-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | 34H | | Name: | (2R)-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-/m1/s1 | | Definition date: | 2010-07-21 | | Last modified: | 2023-11-03 | | Identifier: | (2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid |
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 | | RG9 | | Name: | 2-(3-chlorophenyl)-N-[7-(2-hydroxypropan-2-yl)isoquinolin-4-yl]acetamide | | Formula: | C20 H19 Cl N2 O2 | | SMILES: | Clc1cccc(c1)CC(=O)Nc1cncc2cc(ccc21)C(C)(C)O | | InChi: | InChI=1S/C20H19ClN2O2/c1-20(2,25)15-6-7-17-14(10-15)11-22-12-18(17)23-19(24)9-13-4-3-5-16(21)8-13/h3-8,10-12,25H,9H2,1-2H3,(H,23,24) | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-chlorophenyl)-N-[7-(2-hydroxypropan-2-yl)isoquinolin-4-yl]acetamide |
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 | | RGI | | Name: | METHYLCARBAMIC ACID | | Formula: | C2 H5 N O2 | | SMILES: | O=C(O)NC | | InChi: | InChI=1S/C2H5NO2/c1-3-2(4)5/h3H,1H3,(H,4,5) | | Definition date: | 2002-06-19 | | Last modified: | 2023-11-03 | | Identifier: | methylcarbamic acid |
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 | | RGL | | Name: | ARGINAL | | Formula: | C6 H15 N4 O | | SMILES: | O=CC(N)CCCNC(=[NH2+])N | | InChi: | InChI=1S/C6H14N4O/c7-5(4-11)2-1-3-10-6(8)9/h4-5H,1-3,7H2,(H4,8,9,10)/p+1/t5-/m0/s1 | | Definition date: | 2010-05-18 | | Last modified: | 2023-11-03 | | Identifier: | amino{[(4S)-4-amino-5-oxopentyl]amino}methaniminium |
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 | | RGP | | Name: | GAMMA-GLUTAMYL PHOSPHATE | | Formula: | C5 H10 N O7 P | | SMILES: | O=C(OP(=O)(O)O)CCC(C(=O)O)N | | InChi: | InChI=1S/C5H10NO7P/c6-3(5(8)9)1-2-4(7)13-14(10,11)12/h3H,1-2,6H2,(H,8,9)(H2,10,11,12)/t3-/m1/s1 | | Synonyms: | 5-OXO-5-(PHOSPHONOOXY)-D-NORVALINE | | Definition date: | 2005-07-20 | | Last modified: | 2023-11-03 | | Identifier: | 5-oxo-5-(phosphonooxy)-D-norvaline |
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 | | RGQ | | Name: | (4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C22 H20 Cl F N4 O2 | | SMILES: | Fc1ccc2c(c1)cncc2NC(=O)C1CN(Cc2ccc(Cl)cc21)CC(=O)NC | | InChi: | InChI=1S/C22H20ClFN4O2/c1-25-21(29)12-28-10-13-2-3-15(23)7-18(13)19(11-28)22(30)27-20-9-26-8-14-6-16(24)4-5-17(14)20/h2-9,19H,10-12H2,1H3,(H,25,29)(H,27,30)/t19-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | RGX | | Name: | (4S)-6-chloro-2-(cyclopropylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C22 H21 Cl N4 O3 S | | SMILES: | O=S(=O)(NC1CC1)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C22H21ClN4O3S/c23-16-6-5-15-12-27(31(29,30)26-17-7-8-17)13-20(19(15)9-16)22(28)25-21-11-24-10-14-3-1-2-4-18(14)21/h1-6,9-11,17,20,26H,7-8,12-13H2,(H,25,28)/t20-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-2-(cyclopropylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | RHI | | Name: | (4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C23 H23 Cl N4 O4 S | | SMILES: | CS(=O)(=O)c1ccc2c(c1)cncc2NC(=O)C1CN(Cc2ccc(Cl)cc21)CC(=O)NC | | InChi: | InChI=1S/C23H23ClN4O4S/c1-25-22(29)13-28-11-14-3-4-16(24)8-19(14)20(12-28)23(30)27-21-10-26-9-15-7-17(33(2,31)32)5-6-18(15)21/h3-10,20H,11-13H2,1-2H3,(H,25,29)(H,27,30)/t20-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | RI1 | | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide | | Formula: | C18 H14 Cl N3 O3 S | | SMILES: | Clc1ccc2c(c1)C(CNS2(=O)=O)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C18H14ClN3O3S/c19-12-5-6-17-14(7-12)15(9-21-26(17,24)25)18(23)22-16-10-20-8-11-3-1-2-4-13(11)16/h1-8,10,15,21H,9H2,(H,22,23)/t15-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-(isoquinolin-4-yl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide |
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 | | RI6 | | Name: | (4S)-6-chloro-N-(7-chloroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C22 H20 Cl2 N4 O2 | | SMILES: | Clc1ccc2c(c1)cncc2NC(=O)C1CN(Cc2ccc(Cl)cc21)CC(=O)NC | | InChi: | InChI=1S/C22H20Cl2N4O2/c1-25-21(29)12-28-10-13-2-3-16(24)7-18(13)19(11-28)22(30)27-20-9-26-8-14-6-15(23)4-5-17(14)20/h2-9,19H,10-12H2,1H3,(H,25,29)(H,27,30)/t19-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-(7-chloroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | RIJ | | Name: | 2-[(1'P,3'S)-6-chloro-1'-(isoquinolin-4-yl)-2',5'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide | | Formula: | C24 H21 Cl N4 O3 | | SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2C2(CC(=O)N(C2=O)c2cncc3ccccc32)C1 | | InChi: | InChI=1S/C24H21ClN4O3/c1-26-21(30)13-28-12-16-6-7-17(25)8-19(16)24(14-28)9-22(31)29(23(24)32)20-11-27-10-15-4-2-3-5-18(15)20/h2-8,10-11H,9,12-14H2,1H3,(H,26,30)/t24-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-[(1'P,3'S)-6-chloro-1'-(isoquinolin-4-yl)-2',5'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide |
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 | | RIU | | Name: | 2-(3-chlorophenyl)-N-{6-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}acetamide | | Formula: | C21 H22 Cl N3 O2 | | SMILES: | Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)OCCN(C)C | | InChi: | InChI=1S/C21H22ClN3O2/c1-25(2)8-9-27-18-7-6-16-13-23-14-20(19(16)12-18)24-21(26)11-15-4-3-5-17(22)10-15/h3-7,10,12-14H,8-9,11H2,1-2H3,(H,24,26) | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-chlorophenyl)-N-{6-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}acetamide |
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 | | RIY | | Name: | (4S)-6-chloro-2-(ethylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C21 H21 Cl N4 O3 S | | SMILES: | CCNS(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C21H21ClN4O3S/c1-2-24-30(28,29)26-12-15-7-8-16(22)9-18(15)19(13-26)21(27)25-20-11-23-10-14-5-3-4-6-17(14)20/h3-11,19,24H,2,12-13H2,1H3,(H,25,27)/t19-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-2-(ethylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | RJ3 | | Name: | 4-[2-(3-chlorophenyl)acetamido]isoquinoline-7-carboxylic acid | | Formula: | C18 H13 Cl N2 O3 | | SMILES: | Clc1cccc(c1)CC(=O)Nc1cncc2cc(ccc21)C(=O)O | | InChi: | InChI=1S/C18H13ClN2O3/c19-14-3-1-2-11(6-14)7-17(22)21-16-10-20-9-13-8-12(18(23)24)4-5-15(13)16/h1-6,8-10H,7H2,(H,21,22)(H,23,24) | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 4-[2-(3-chlorophenyl)acetamido]isoquinoline-7-carboxylic acid |
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 | | RJF | | Name: | (4S)-6-chloro-2-[2-(methylamino)-2-oxoethyl]-N-(5-methylisoquinolin-4-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C23 H21 Cl N4 O3 | | SMILES: | Cc1cccc2cncc(NC(=O)C3CN(CC(=O)NC)C(=O)c4ccc(Cl)cc43)c12 | | InChi: | InChI=1S/C23H21ClN4O3/c1-13-4-3-5-14-9-26-10-19(21(13)14)27-22(30)18-11-28(12-20(29)25-2)23(31)16-7-6-15(24)8-17(16)18/h3-10,18H,11-12H2,1-2H3,(H,25,29)(H,27,30)/t18-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-2-[2-(methylamino)-2-oxoethyl]-N-(5-methylisoquinolin-4-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | RJO | | Name: | (4S)-6-chloro-N-(6-fluoroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C22 H18 Cl F N4 O3 | | SMILES: | Fc1cc2c(cc1)cncc2NC(=O)C1CN(CC(=O)NC)C(=O)c2ccc(Cl)cc21 | | InChi: | InChI=1S/C22H18ClFN4O3/c1-25-20(29)11-28-10-18(17-6-13(23)3-5-15(17)22(28)31)21(30)27-19-9-26-8-12-2-4-14(24)7-16(12)19/h2-9,18H,10-11H2,1H3,(H,25,29)(H,27,30)/t18-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-(6-fluoroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | RJX | | Name: | 4-[2-(3-chlorophenyl)acetamido]isoquinoline-6-carboxylic acid | | Formula: | C18 H13 Cl N2 O3 | | SMILES: | Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)C(=O)O | | InChi: | InChI=1S/C18H13ClN2O3/c19-14-3-1-2-11(6-14)7-17(22)21-16-10-20-9-13-5-4-12(18(23)24)8-15(13)16/h1-6,8-10H,7H2,(H,21,22)(H,23,24) | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 4-[2-(3-chlorophenyl)acetamido]isoquinoline-6-carboxylic acid |
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 | | RK6 | | Name: | 4-[2-(3-chlorophenyl)acetamido]-N-methylisoquinoline-7-carboxamide | | Formula: | C19 H16 Cl N3 O2 | | SMILES: | Clc1cccc(c1)CC(=O)Nc1cncc2cc(ccc21)C(=O)NC | | InChi: | InChI=1S/C19H16ClN3O2/c1-21-19(25)13-5-6-16-14(9-13)10-22-11-17(16)23-18(24)8-12-3-2-4-15(20)7-12/h2-7,9-11H,8H2,1H3,(H,21,25)(H,23,24) | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 4-[2-(3-chlorophenyl)acetamido]-N-methylisoquinoline-7-carboxamide |
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