| VP8 | Name: | (3-ethoxyphenyl)boronic acid | Formula: | C8 H11 B O3 | SMILES: | CCOc1cccc(c1)B(O)O | InChi: | InChI=1S/C8H11BO3/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6,10-11H,2H2,1H3 | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | (3-ethoxyphenyl)boronic acid |
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| VAV | Name: | [2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-oxidanyl-oxidanylidene-boron | Formula: | C5 H5 B F3 N2 O2 | SMILES: | Cn1nc(cc1[B](O)=O)C(F)(F)F | InChi: | InChI=1S/C5H5BF3N2O2/c1-11-4(6(12)13)2-3(10-11)5(7,8)9/h2,12H,1H3 | Definition date: | 2022-08-29 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | [2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-oxidanyl-oxidanylidene-boron |
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| VQ2 | Name: | [4-(diethylcarbamoyl)phenyl]boronic acid | Formula: | C11 H16 B N O3 | SMILES: | O=C(N(CC)CC)c1ccc(cc1)B(O)O | InChi: | InChI=1S/C11H16BNO3/c1-3-13(4-2)11(14)9-5-7-10(8-6-9)12(15)16/h5-8,15-16H,3-4H2,1-2H3 | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | [4-(diethylcarbamoyl)phenyl]boronic acid |
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| WTN | Name: | (6S,8R)-N-[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl]-6-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide | Formula: | C20 H25 N5 O4 S | SMILES: | O=C(Nc1c2CCCc2cc2CCCc21)NS(=O)(=O)c1cnn2CC(COc12)NC | InChi: | InChI=1S/C20H25N5O4S/c1-21-14-10-25-19(29-11-14)17(9-22-25)30(27,28)24-20(26)23-18-15-6-2-4-12(15)8-13-5-3-7-16(13)18/h8-9,14,21H,2-7,10-11H2,1H3,(H2,23,24,26)/t14-/m0/s1 | Definition date: | 2022-10-18 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | (6S,8R)-N-[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl]-6-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide |
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| 8I5 | Name: | 3N methyl nemycin B | Formula: | C24 H48 N6 O13 | SMILES: | CN[CH]1C[CH](N)[CH](O)[CH](O[CH]2O[CH](CO)[CH](O[CH]3O[CH](CN)[CH](O)[CH](O)[CH]3N)[CH]2O)[CH]1O[CH]4O[CH](CN)[CH](O)[CH](O)[CH]4N | InChi: | InChI=1S/C24H48N6O13/c1-30-7-2-6(27)13(32)21(19(7)41-22-11(28)16(35)14(33)8(3-25)38-22)43-24-18(37)20(10(5-31)40-24)42-23-12(29)17(36)15(34)9(4-26)39-23/h6-24,30-37H,2-5,25-29H2,1H3/t6-,7+,8-,9+,10+,11+,12+,13+,14-,15-,16-,17-,18-,19-,20+,21-,22-,23-,24+/m1/s1 | Definition date: | 2021-10-19 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | (2~{R},3~{S},4~{R},5~{S},6~{R})-2-(aminomethyl)-6-[(1~{R},2~{R},3~{S},4~{R},6~{S})-2-[(2~{S},3~{R},4~{R},5~{S})-4-[(2~{R},3~{S},4~{R},5~{S},6~{S})-6-(aminomethyl)-3-azanyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-5-(hydroxymethyl)-3-oxidanyl-oxolan-2-yl]oxy-4-azanyl-6-(methylamino)-3-oxidanyl-cyclohexyl]oxy-5-azanyl-oxane-3,4-diol |
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| 6N9 | Name: | N-{2,4-difluoro-3-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl}propane-1-sulfonamide | Formula: | C24 H21 F2 N3 O4 S | SMILES: | CCCS(=O)(=O)Nc1ccc(F)c(c1F)C(=O)c1c[NH]c2ncc(cc21)c1ccc(OC)cc1 | InChi: | InChI=1S/C24H21F2N3O4S/c1-3-10-34(31,32)29-20-9-8-19(25)21(22(20)26)23(30)18-13-28-24-17(18)11-15(12-27-24)14-4-6-16(33-2)7-5-14/h4-9,11-13,29H,3,10H2,1-2H3,(H,27,28) | Definition date: | 2016-05-10 | Last modified: | 2022-10-25 | Release date: | 2016-09-14 | Identifier: | N-{2,4-difluoro-3-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl}propane-1-sulfonamide |
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| 6NC | Name: | 2,2'-oxybis(N-{[4-(3-{2,6-difluoro-3-[(propane-1-sulfonyl)amino]benzoyl}-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methyl}acetamide) | Formula: | C52 H46 F4 N8 O9 S2 | SMILES: | CCCS(=O)(=O)Nc1ccc(F)c(c1F)C(=O)c1c[NH]c2ncc(cc12)c1ccc(cc1)CNC(=O)COCC(=O)NCc1ccc(cc1)c1cc2c(nc1)[NH]cc2C(=O)c1c(F)ccc(NS(=O)(=O)CCC)c1F | InChi: | InChI=1S/C52H46F4N8O9S2/c1-3-17-74(69,70)63-41-15-13-39(53)45(47(41)55)49(67)37-25-61-51-35(37)19-33(23-59-51)31-9-5-29(6-10-31)21-57-43(65)27-73-28-44(66)58-22-30-7-11-32(12-8-30)34-20-36-38(26-62-52(36)60-24-34)50(68)46-40(54)14-16-42(48(46)56)64-75(71,72)18-4-2/h5-16,19-20,23-26,63-64H,3-4,17-18,21-22,27-28H2,1-2H3,(H,57,65)(H,58,66)(H,59,61)(H,60,62) | Definition date: | 2016-05-10 | Last modified: | 2022-10-25 | Release date: | 2016-09-14 | Identifier: | 2,2'-oxybis(N-{[4-(3-{2,6-difluoro-3-[(propane-1-sulfonyl)amino]benzoyl}-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methyl}acetamide) |
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| JYX | Name: | 3-ethylimidazo[4,5-b]pyridin-2-amine | Formula: | C8 H10 N4 | SMILES: | CCn1c(N)nc2cccnc12 | InChi: | InChI=1S/C8H10N4/c1-2-12-7-6(11-8(12)9)4-3-5-10-7/h3-5H,2H2,1H3,(H2,9,11) | Definition date: | 2022-05-16 | Last modified: | 2022-10-14 | Release date: | 2022-10-19 | Identifier: | 3-ethylimidazo[4,5-b]pyridin-2-amine |
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| K40 | Name: | 5,8-dichloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one | Formula: | C11 H8 Cl2 N2 O | SMILES: | O=C1NCCc2c1[NH]c1c(Cl)ccc(Cl)c12 | InChi: | InChI=1S/C11H8Cl2N2O/c12-6-1-2-7(13)10-8(6)5-3-4-14-11(16)9(5)15-10/h1-2,15H,3-4H2,(H,14,16) | Definition date: | 2022-02-02 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | 5,8-dichloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one |
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| IY6 | Name: | (4S)-2,3-dimethyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-7-(trifluoromethyl)imidazo[1,2-b]pyridazine | Formula: | C18 H22 F3 N7 | SMILES: | Cn1nc(nc1CCc1nn2c(C)c(C)nc2cc1C(F)(F)F)N1CCCC1 | InChi: | InChI=1S/C18H22F3N7/c1-11-12(2)28-16(22-11)10-13(18(19,20)21)14(24-28)6-7-15-23-17(25-26(15)3)27-8-4-5-9-27/h10H,4-9H2,1-3H3 | Definition date: | 2022-02-01 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | (4S)-2,3-dimethyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-7-(trifluoromethyl)imidazo[1,2-b]pyridazine |
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| J2L | Name: | (4S)-8-(methanesulfonyl)-2,3-dimethyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}imidazo[1,2-b]pyridazine | Formula: | C18 H25 N7 O2 S | SMILES: | Cn1nc(nc1CCc1cc(c2nc(C)c(C)n2n1)S(C)(=O)=O)N1CCCC1 | InChi: | InChI=1S/C18H25N7O2S/c1-12-13(2)25-17(19-12)15(28(4,26)27)11-14(21-25)7-8-16-20-18(22-23(16)3)24-9-5-6-10-24/h11H,5-10H2,1-4H3 | Definition date: | 2022-02-01 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | (4S)-8-(methanesulfonyl)-2,3-dimethyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}imidazo[1,2-b]pyridazine |
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| KDX | Name: | 9-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one | Formula: | C11 H9 N3 O2 | SMILES: | COc1cccc2[NH]c3c(N=CNC3=O)c21 | InChi: | InChI=1S/C11H9N3O2/c1-16-7-4-2-3-6-8(7)9-10(14-6)11(15)13-5-12-9/h2-5,14H,1H3,(H,12,13,15) | Definition date: | 2022-02-03 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | 9-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
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| JHI | Name: | (4R)-6-chloro-2,3-dimethyl-8-(pyrrolidin-1-yl)imidazo[1,2-b]pyridazine | Formula: | C12 H15 Cl N4 | SMILES: | Cc1c(C)nc2c(cc(Cl)nn12)N1CCCC1 | InChi: | InChI=1S/C12H15ClN4/c1-8-9(2)17-12(14-8)10(7-11(13)15-17)16-5-3-4-6-16/h7H,3-6H2,1-2H3 | Definition date: | 2022-02-01 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | (4R)-6-chloro-2,3-dimethyl-8-(pyrrolidin-1-yl)imidazo[1,2-b]pyridazine |
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| JNU | Name: | (4R)-3-methyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-2-(trifluoromethyl)imidazo[1,2-b]pyridazine | Formula: | C17 H20 F3 N7 | SMILES: | Cn1nc(nc1CCc1ccc2nc(c(C)n2n1)C(F)(F)F)N1CCCC1 | InChi: | InChI=1S/C17H20F3N7/c1-11-15(17(18,19)20)21-14-8-6-12(23-27(11)14)5-7-13-22-16(24-25(13)2)26-9-3-4-10-26/h6,8H,3-5,7,9-10H2,1-2H3 | Definition date: | 2022-02-01 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | (4R)-3-methyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-2-(trifluoromethyl)imidazo[1,2-b]pyridazine |
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| JOF | Name: | 5-chloro-8-hydroxy-2-methyl-1,4-dihydropyrrolo[3,4-b]indol-3(2H)-one | Formula: | C11 H9 Cl N2 O2 | SMILES: | O=C1c2[NH]c3c(Cl)ccc(O)c3c2CN1C | InChi: | InChI=1S/C11H9ClN2O2/c1-14-4-5-8-7(15)3-2-6(12)10(8)13-9(5)11(14)16/h2-3,13,15H,4H2,1H3 | Definition date: | 2022-02-01 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | 5-chloro-8-hydroxy-2-methyl-1,4-dihydropyrrolo[3,4-b]indol-3(2H)-one |
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| ID9 | Name: | (4R)-2,3-dimethyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine | Formula: | C19 H19 N5 O | SMILES: | Cn1cc(nc1COc1ccc2nc(C)c(C)n2n1)c1ccccc1 | InChi: | InChI=1S/C19H19N5O/c1-13-14(2)24-17(20-13)9-10-19(22-24)25-12-18-21-16(11-23(18)3)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3 | Definition date: | 2022-01-25 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | (4R)-2,3-dimethyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine |
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| IG6 | Name: | (4S)-3-methyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine | Formula: | C20 H18 F3 N5 | SMILES: | FC(F)(F)c1nc2ccc(nn2c1C)CCc1nc(cn1C)c1ccccc1 | InChi: | InChI=1S/C20H18F3N5/c1-13-19(20(21,22)23)25-18-11-9-15(26-28(13)18)8-10-17-24-16(12-27(17)2)14-6-4-3-5-7-14/h3-7,9,11-12H,8,10H2,1-2H3 | Definition date: | 2022-01-25 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | (4S)-3-methyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine |
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| IIR | Name: | {(4S)-2-cyclopropyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)ethynyl]imidazo[1,2-b]pyridazin-3-yl}methanol | Formula: | C22 H19 N5 O | SMILES: | Cn1cc(nc1C#Cc1ccc2nc(c(CO)n2n1)C1CC1)c1ccccc1 | InChi: | InChI=1S/C22H19N5O/c1-26-13-18(15-5-3-2-4-6-15)23-20(26)11-9-17-10-12-21-24-22(16-7-8-16)19(14-28)27(21)25-17/h2-6,10,12-13,16,28H,7-8,14H2,1H3 | Definition date: | 2022-01-25 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | {(4S)-2-cyclopropyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)ethynyl]imidazo[1,2-b]pyridazin-3-yl}methanol |
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| IJ0 | Name: | (4S)-2-(difluoromethyl)-3-methyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)ethynyl]imidazo[1,2-b]pyridazine | Formula: | C20 H15 F2 N5 | SMILES: | FC(F)c1nc2ccc(nn2c1C)C#Cc1nc(cn1C)c1ccccc1 | InChi: | InChI=1S/C20H15F2N5/c1-13-19(20(21)22)24-18-11-9-15(25-27(13)18)8-10-17-23-16(12-26(17)2)14-6-4-3-5-7-14/h3-7,9,11-12,20H,1-2H3 | Definition date: | 2022-01-26 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | (4S)-2-(difluoromethyl)-3-methyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)ethynyl]imidazo[1,2-b]pyridazine |
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| IJH | Name: | (4S)-2,3-dimethyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine | Formula: | C20 H21 N5 | SMILES: | Cn1cc(nc1CCc1ccc2nc(C)c(C)n2n1)c1ccccc1 | InChi: | InChI=1S/C20H21N5/c1-14-15(2)25-20(21-14)12-10-17(23-25)9-11-19-22-18(13-24(19)3)16-7-5-4-6-8-16/h4-8,10,12-13H,9,11H2,1-3H3 | Definition date: | 2022-01-26 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | (4S)-2,3-dimethyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine |
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| IK0 | Name: | (4S)-N,2,3-trimethyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}imidazo[1,2-b]pyridazine-8-carboxamide | Formula: | C19 H26 N8 O | SMILES: | Cn1nc(nc1CCc1cc(C(=O)NC)c2nc(C)c(C)n2n1)N1CCCC1 | InChi: | InChI=1S/C19H26N8O/c1-12-13(2)27-17(21-12)15(18(28)20-3)11-14(23-27)7-8-16-22-19(24-25(16)4)26-9-5-6-10-26/h11H,5-10H2,1-4H3,(H,20,28) | Definition date: | 2022-01-26 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | (4S)-N,2,3-trimethyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}imidazo[1,2-b]pyridazine-8-carboxamide |
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| IKH | Name: | {(4S)-2-methyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)ethynyl]imidazo[1,2-b]pyridazin-3-yl}methanol | Formula: | C20 H17 N5 O | SMILES: | Cn1cc(nc1C#Cc1ccc2nc(C)c(CO)n2n1)c1ccccc1 | InChi: | InChI=1S/C20H17N5O/c1-14-18(13-26)25-20(21-14)11-9-16(23-25)8-10-19-22-17(12-24(19)2)15-6-4-3-5-7-15/h3-7,9,11-12,26H,13H2,1-2H3 | Definition date: | 2022-01-26 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | {(4S)-2-methyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)ethynyl]imidazo[1,2-b]pyridazin-3-yl}methanol |
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| 86K | Name: | 2-[methyl(phenyl)amino]-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydropyridin-1(2H)-yl]ethan-1-one | Formula: | C21 H22 N4 O | SMILES: | O=C(CN(C)c1ccccc1)N1CC=C(CC1)c1c[NH]c2ncccc12 | InChi: | InChI=1S/C21H22N4O/c1-24(17-6-3-2-4-7-17)15-20(26)25-12-9-16(10-13-25)19-14-23-21-18(19)8-5-11-22-21/h2-9,11,14H,10,12-13,15H2,1H3,(H,22,23) | Definition date: | 2021-09-08 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | 2-[methyl(phenyl)amino]-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydropyridin-1(2H)-yl]ethan-1-one |
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| 86Z | Name: | pyridin-2-ylboronic acid | Formula: | C5 H6 B N O2 | SMILES: | OB(O)c1ccccn1 | InChi: | InChI=1S/C5H6BNO2/c8-6(9)5-3-1-2-4-7-5/h1-4,8-9H | Synonyms: | 2-Pyridineboronic acid | Definition date: | 2021-10-04 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | pyridin-2-ylboronic acid |
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| PWL | Name: | 6-bromo-1H-pyrrolo[3,2-b]pyridin-5-amine | Formula: | C7 H6 Br N3 | SMILES: | Brc1cc2[NH]ccc2nc1N | InChi: | InChI=1S/C7H6BrN3/c8-4-3-6-5(1-2-10-6)11-7(4)9/h1-3,10H,(H2,9,11) | Definition date: | 2022-05-31 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | 6-bromo-1H-pyrrolo[3,2-b]pyridin-5-amine |
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