 | | NY3 | | Name: | 2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl ~{N}-[[3-(1~{H}-imidazol-5-yl)phenyl]methyl]carbamate | | Formula: | C27 H30 N4 O4 | | SMILES: | CCN(CC)c1ccc2C(=C(CCOC(=O)NCc3cccc(c3)c4[nH]cnc4)C(=O)Oc2c1)C | | InChi: | InChI=1S/C27H30N4O4/c1-4-31(5-2)21-9-10-22-18(3)23(26(32)35-25(22)14-21)11-12-34-27(33)29-15-19-7-6-8-20(13-19)24-16-28-17-30-24/h6-10,13-14,16-17H,4-5,11-12,15H2,1-3H3,(H,28,30)(H,29,33) | | Definition date: | 2021-02-09 | | Last modified: | 2021-05-14 | | Release date: | 2021-05-19 | | Identifier: | 2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl ~{N}-[[3-(1~{H}-imidazol-5-yl)phenyl]methyl]carbamate |
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 | | NY6 | | Name: | 3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-8-(1~{H}-imidazol-5-ylcarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione | | Formula: | C27 H32 N6 O5 | | SMILES: | CCN(CC)c1ccc2C(=C(CCN3C(=O)NC4(CCN(CC4)C(=O)c5[nH]cnc5)C3=O)C(=O)Oc2c1)C | | InChi: | InChI=1S/C27H32N6O5/c1-4-31(5-2)18-6-7-19-17(3)20(24(35)38-22(19)14-18)8-11-33-25(36)27(30-26(33)37)9-12-32(13-10-27)23(34)21-15-28-16-29-21/h6-7,14-16H,4-5,8-13H2,1-3H3,(H,28,29)(H,30,37) | | Definition date: | 2021-02-09 | | Last modified: | 2021-05-14 | | Release date: | 2021-05-19 | | Identifier: | 3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-8-(1~{H}-imidazol-5-ylcarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione |
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 | | NYO | | Name: | (5~{R})-3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-7-(1~{H}-imidazol-4-ylcarbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione | | Formula: | C26 H30 N6 O5 | | SMILES: | CCN(CC)c1ccc2C(=C(CCN3C(=O)N[C]4(CCN(C4)C(=O)c5c[nH]cn5)C3=O)C(=O)Oc2c1)C | | InChi: | InChI=1S/C26H30N6O5/c1-4-30(5-2)17-6-7-18-16(3)19(23(34)37-21(18)12-17)8-10-32-24(35)26(29-25(32)36)9-11-31(14-26)22(33)20-13-27-15-28-20/h6-7,12-13,15H,4-5,8-11,14H2,1-3H3,(H,27,28)(H,29,36)/t26-/m1/s1 | | Definition date: | 2021-02-09 | | Last modified: | 2021-05-14 | | Release date: | 2021-05-19 | | Identifier: | (5~{R})-3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-7-(1~{H}-imidazol-4-ylcarbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione |
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 | | Y2A | | Name: | (2S)-2-hydroxy-2-[2-oxo-2-(phosphonooxy)ethyl]butanedioic acid | | Formula: | C6 H9 O10 P | | SMILES: | C(C(CC(=O)OP(O)(O)=O)(C(=O)O)O)C(O)=O | | InChi: | InChI=1S/C6H9O10P/c7-3(8)1-6(12,5(10)11)2-4(9)16-17(13,14)15/h12H,1-2H2,(H,7,8)(H,10,11)(H2,13,14,15)/t6-/m0/s1 | | Definition date: | 2021-01-28 | | Last modified: | 2021-05-14 | | Release date: | 2021-05-19 | | Identifier: | (2S)-2-hydroxy-2-[2-oxo-2-(phosphonooxy)ethyl]butanedioic acid |
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 | | Y7V | | Name: | 1-fluoranyl-3-iodanyl-benzene | | Formula: | C6 H4 F I | | SMILES: | Fc1cccc(I)c1 | | InChi: | InChI=1S/C6H4FI/c7-5-2-1-3-6(8)4-5/h1-4H | | Definition date: | 2021-02-10 | | Last modified: | 2021-05-14 | | Release date: | 2021-05-19 | | Identifier: | 1-fluoranyl-3-iodanyl-benzene |
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 | | Y84 | | Name: | 1-fluoranylnaphthalene | | Formula: | C10 H7 F | | SMILES: | Fc1cccc2ccccc12 | | InChi: | InChI=1S/C10H7F/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H | | Definition date: | 2021-02-10 | | Last modified: | 2021-05-14 | | Release date: | 2021-05-19 | | Identifier: | 1-fluoranylnaphthalene |
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 | | Y87 | | Name: | 1-bromanyl-4-fluoranyl-benzene | | Formula: | C6 H4 Br F | | SMILES: | Fc1ccc(Br)cc1 | | InChi: | InChI=1S/C6H4BrF/c7-5-1-3-6(8)4-2-5/h1-4H | | Definition date: | 2021-02-10 | | Last modified: | 2021-05-14 | | Release date: | 2021-05-19 | | Identifier: | 1-bromanyl-4-fluoranyl-benzene |
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 | | Y8D | | Name: | 1-fluoranyl-4-iodanyl-benzene | | Formula: | C6 H4 F I | | SMILES: | Fc1ccc(I)cc1 | | InChi: | InChI=1S/C6H4FI/c7-5-1-3-6(8)4-2-5/h1-4H | | Definition date: | 2021-02-10 | | Last modified: | 2021-05-14 | | Release date: | 2021-05-19 | | Identifier: | 1-fluoranyl-4-iodanyl-benzene |
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 | | Y8G | | Name: | 2-butylthiophene | | Formula: | C8 H12 S | | SMILES: | CCCCc1sccc1 | | InChi: | InChI=1S/C8H12S/c1-2-3-5-8-6-4-7-9-8/h4,6-7H,2-3,5H2,1H3 | | Definition date: | 2021-02-10 | | Last modified: | 2021-05-14 | | Release date: | 2021-05-19 | | Identifier: | 2-butylthiophene |
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 | | Y8M | | Name: | 4-(3-phenylpropyl)aniline | | Formula: | C15 H17 N | | SMILES: | Nc1ccc(CCCc2ccccc2)cc1 | | InChi: | InChI=1S/C15H17N/c16-15-11-9-14(10-12-15)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8,16H2 | | Definition date: | 2021-02-10 | | Last modified: | 2021-05-14 | | Release date: | 2021-05-19 | | Identifier: | 4-(3-phenylpropyl)aniline |
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 | | YGJ | | Name: | 4-(2-phenylethoxy)phenol | | Formula: | C14 H14 O2 | | SMILES: | Oc1ccc(OCCc2ccccc2)cc1 | | InChi: | InChI=1S/C14H14O2/c15-13-6-8-14(9-7-13)16-11-10-12-4-2-1-3-5-12/h1-9,15H,10-11H2 | | Definition date: | 2021-03-03 | | Last modified: | 2021-05-14 | | Release date: | 2021-05-19 | | Identifier: | 4-(2-phenylethoxy)phenol |
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 | | YGM | | Name: | (but-3-en-1-yl)benzene | | Formula: | C10 H12 | | SMILES: | C=CCCc1ccccc1 | | InChi: | InChI=1S/C10H12/c1-2-3-7-10-8-5-4-6-9-10/h2,4-6,8-9H,1,3,7H2 | | Definition date: | 2021-03-03 | | Last modified: | 2021-05-14 | | Release date: | 2021-05-19 | | Identifier: | (but-3-en-1-yl)benzene |
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 | | YGV | | Name: | 1-chloro-2-(methylsulfanyl)benzene | | Formula: | C7 H7 Cl S | | SMILES: | CSc1ccccc1Cl | | InChi: | InChI=1S/C7H7ClS/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3 | | Definition date: | 2021-03-03 | | Last modified: | 2021-05-14 | | Release date: | 2021-05-19 | | Identifier: | 1-chloro-2-(methylsulfanyl)benzene |
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 | | YQM | | Name: | Eravacycline | | Formula: | C27 H31 F N4 O8 | | SMILES: | O=C(Nc1cc(F)c2CC3CC4C(N(C)C)C(=O)C(C(N)=O)=C(O)C4(O)C(=O)C3=C(O)c2c1O)CN1CCCC1 | | InChi: | InChI=1S/C27H31FN4O8/c1-31(2)20-13-8-11-7-12-14(28)9-15(30-16(33)10-32-5-3-4-6-32)21(34)18(12)22(35)17(11)24(37)27(13,40)25(38)19(23(20)36)26(29)39/h9,11,13,20,34-35,38,40H,3-8,10H2,1-2H3,(H2,29,39)(H,30,33)/t11-,13-,20-,27-/m0/s1 | | Definition date: | 2021-03-23 | | Last modified: | 2021-05-14 | | Release date: | 2021-05-19 | | Identifier: | (4S,4aS,5aR,12aR)-4-(dimethylamino)-7-fluoro-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[2-(pyrrolidin-1-yl)acetamido]-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboxamide |
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 | | UI1 | | Name: | 6-[(Z)-AMINO(IMINO)METHYL]-N-[4-(AMINOMETHYL)PHENYL]-4-(PYRIMIDIN-2-YLAMINO)-2-NAPHTHAMIDE | | Formula: | C23 H21 N7 O | | SMILES: | NCc1ccc(cc1)NC(=O)c1cc(Nc2ncccn2)c2cc(ccc2c1)C(=N)N | | InChi: | InChI=1S/C23H21N7O/c24-13-14-2-6-18(7-3-14)29-22(31)17-10-15-4-5-16(21(25)26)11-19(15)20(12-17)30-23-27-8-1-9-28-23/h1-12H,13,24H2,(H3,25,26)(H,29,31)(H,27,28,30) | | Definition date: | 2004-03-26 | | Last modified: | 2021-05-13 | | Identifier: | N-[4-(aminomethyl)phenyl]-6-carbamimidoyl-4-[(pyrimidin-2-yl)amino]naphthalene-2-carboxamide |
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 | | 3AU | | Name: | 3-[(3S)-3-amino-3-carboxypropyl]uridine 5'-(dihydrogen phosphate) | | Formula: | C13 H20 N3 O11 P | | SMILES: | O=C(O)C(N)CCN1C(=O)C=CN(C1=O)C2OC(C(O)C2O)COP(=O)(O)O | | InChi: | InChI=1S/C13H20N3O11P/c14-6(12(20)21)1-3-15-8(17)2-4-16(13(15)22)11-10(19)9(18)7(27-11)5-26-28(23,24)25/h2,4,6-7,9-11,18-19H,1,3,5,14H2,(H,20,21)(H2,23,24,25)/t6-,7+,9+,10+,11+/m0/s1 | | Definition date: | 2011-01-18 | | Last modified: | 2021-05-11 | | Identifier: | 3-[(3S)-3-amino-3-carboxypropyl]uridine 5'-(dihydrogen phosphate) |
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 | | CDL | | Name: | CARDIOLIPIN | | Formula: | C81 H156 O17 P2 | | SMILES: | CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OC[CH](O)CO[P]([O-])(=O)OC[CH](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C81H158O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h75-77,82H,5-74H2,1-4H3,(H,87,88)(H,89,90)/p-2/t76-,77-/m1/s1 | | Synonyms: | DIPHOSPHATIDYL GLYCEROL | | Definition date: | 1999-11-19 | | Last modified: | 2021-05-11 | | Identifier: | [3-[[(2~{R})-2,3-di(octadecanoyloxy)propoxy]-oxidanidyl-phosphoryl]oxy-2-oxidanyl-propyl] [(2~{R})-2,3-di(octadecanoyloxy)propyl] phosphate |
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 | | CPH | | Name: | (1S)-5-deoxy-1-O-methyl-1-C-[(2R,3S)-3,5,7,10-tetrahydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-D-xylulose | | Formula: | C21 H24 O9 | | SMILES: | CC(O)C(O)C(=O)C(OC)C1Cc2cc3cc(O)c(C)c(O)c3c(O)c2C(=O)C1O | | InChi: | InChI=1S/C21H24O9/c1-7-12(23)6-10-4-9-5-11(21(30-3)20(29)16(25)8(2)22)17(26)19(28)14(9)18(27)13(10)15(7)24/h4,6,8,11,16-17,21-27H,5H2,1-3H3/t8-,11-,16+,17+,21+/m1/s1 | | Synonyms: | None | | Definition date: | 1999-07-08 | | Last modified: | 2021-05-11 | | Identifier: | (1S)-5-deoxy-1-O-methyl-1-C-[(2R,3S)-3,5,7,10-tetrahydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-D-xylulose |
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 | | 01P | | Name: | N~2~-[3-methoxy-4-(morpholin-4-yl)phenyl]-N~4~-(quinolin-3-yl)pyrimidine-2,4-diamine | | Formula: | C24 H24 N6 O2 | | SMILES: | n1c5c(cc(c1)Nc2nc(ncc2)Nc4cc(OC)c(N3CCOCC3)cc4)cccc5 | | InChi: | InChI=1S/C24H24N6O2/c1-31-22-15-18(6-7-21(22)30-10-12-32-13-11-30)28-24-25-9-8-23(29-24)27-19-14-17-4-2-3-5-20(17)26-16-19/h2-9,14-16H,10-13H2,1H3,(H2,25,27,28,29) | | Definition date: | 2011-02-17 | | Last modified: | 2021-05-11 | | Identifier: | N~2~-[3-methoxy-4-(morpholin-4-yl)phenyl]-N~4~-(quinolin-3-yl)pyrimidine-2,4-diamine |
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 | | ZL7 | | Name: | (2R,3S)-N-cyclopropyl-3-{[(2R)-3-(cyclopropylmethanesulfonyl)-2-{[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name) | | Formula: | C23 H31 F4 N3 O5 S | | SMILES: | OC(C(CC)NC(=O)C(CS(=O)(=O)CC1CC1)NC(c1ccc(F)cc1)C(F)(F)F)C(=O)NC1CC1 | | InChi: | InChI=1S/C23H31F4N3O5S/c1-2-17(19(31)22(33)28-16-9-10-16)30-21(32)18(12-36(34,35)11-13-3-4-13)29-20(23(25,26)27)14-5-7-15(24)8-6-14/h5-8,13,16-20,29,31H,2-4,9-12H2,1H3,(H,28,33)(H,30,32)/t17-,18-,19+,20-/m0/s1 | | Definition date: | 2021-05-04 | | Last modified: | 2021-05-07 | | Release date: | 2021-05-12 | | Identifier: | (2R,3S)-N-cyclopropyl-3-{[(2R)-3-(cyclopropylmethanesulfonyl)-2-{[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name) |
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 | | FZF | | Name: | 4-(cyclohexylamino)-2-[(2-methoxy-4-morpholin-4-ylcarbonyl-phenyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | | Formula: | C25 H29 N7 O3 | | SMILES: | COc1cc(ccc1Nc2nc3[nH]cc(C#N)c3c(NC4CCCCC4)n2)C(=O)N5CCOCC5 | | InChi: | InChI=1S/C25H29N7O3/c1-34-20-13-16(24(33)32-9-11-35-12-10-32)7-8-19(20)29-25-30-22-21(17(14-26)15-27-22)23(31-25)28-18-5-3-2-4-6-18/h7-8,13,15,18H,2-6,9-12H2,1H3,(H3,27,28,29,30,31) | | Definition date: | 2020-07-10 | | Last modified: | 2021-05-07 | | Release date: | 2021-05-12 | | Identifier: | 4-(cyclohexylamino)-2-[(2-methoxy-4-morpholin-4-ylcarbonyl-phenyl)amino]-7~{H}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
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 | | FZL | | Name: | 4-(cyclohexylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | | Formula: | C24 H27 N7 O2 | | SMILES: | COc1cc(ccc1Nc2nc3[nH]cc(C#N)c3c(NC4CCCCC4)n2)N5CCCC5=O | | InChi: | InChI=1S/C24H27N7O2/c1-33-19-12-17(31-11-5-8-20(31)32)9-10-18(19)28-24-29-22-21(15(13-25)14-26-22)23(30-24)27-16-6-3-2-4-7-16/h9-10,12,14,16H,2-8,11H2,1H3,(H3,26,27,28,29,30) | | Definition date: | 2020-07-10 | | Last modified: | 2021-05-07 | | Release date: | 2021-05-12 | | Identifier: | 4-(cyclohexylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
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 | | FZO | | Name: | 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(oxan-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | | Formula: | C23 H25 N7 O3 | | SMILES: | COc1cc(ccc1Nc2nc3[nH]cc(C#N)c3c(NC4CCOCC4)n2)N5CCCC5=O | | InChi: | InChI=1S/C23H25N7O3/c1-32-18-11-16(30-8-2-3-19(30)31)4-5-17(18)27-23-28-21-20(14(12-24)13-25-21)22(29-23)26-15-6-9-33-10-7-15/h4-5,11,13,15H,2-3,6-10H2,1H3,(H3,25,26,27,28,29) | | Definition date: | 2020-07-10 | | Last modified: | 2021-05-07 | | Release date: | 2021-05-12 | | Identifier: | 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(oxan-4-ylamino)-7~{H}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
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 | | FZR | | Name: | 4-(cyclohexylamino)-2-[(1-methylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | | Formula: | C17 H20 N8 | | SMILES: | Cn1cc(Nc2nc3[nH]cc(C#N)c3c(NC4CCCCC4)n2)cn1 | | InChi: | InChI=1S/C17H20N8/c1-25-10-13(9-20-25)22-17-23-15-14(11(7-18)8-19-15)16(24-17)21-12-5-3-2-4-6-12/h8-10,12H,2-6H2,1H3,(H3,19,21,22,23,24) | | Definition date: | 2020-07-10 | | Last modified: | 2021-05-07 | | Release date: | 2021-05-12 | | Identifier: | 4-(cyclohexylamino)-2-[(1-methylpyrazol-4-yl)amino]-7~{H}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
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 | | G0U | | Name: | 4-(cyclopentylmethylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | | Formula: | C24 H27 N7 O2 | | SMILES: | COc1cc(ccc1Nc2nc(NCC3CCCC3)c4c([nH]cc4C#N)n2)N5CCCC5=O | | InChi: | InChI=1S/C24H27N7O2/c1-33-19-11-17(31-10-4-7-20(31)32)8-9-18(19)28-24-29-22(26-13-15-5-2-3-6-15)21-16(12-25)14-27-23(21)30-24/h8-9,11,14-15H,2-7,10,13H2,1H3,(H3,26,27,28,29,30) | | Definition date: | 2020-07-14 | | Last modified: | 2021-05-07 | | Release date: | 2021-05-12 | | Identifier: | 4-(cyclopentylmethylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
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