![4Z4 4Z4](https://data.pdbj.org/pdbjplus/data/cc/svg/4Z4.svg) | 4Z4 | Name: | 2,4-dichloro-5-fluorobenzoic acid | Formula: | C7 H3 Cl2 F O2 | SMILES: | c1c(c(C(=O)O)cc(c1Cl)F)Cl | InChi: | InChI=1S/C7H3Cl2FO2/c8-4-2-5(9)6(10)1-3(4)7(11)12/h1-2H,(H,11,12) | Definition date: | 2015-06-29 | Last modified: | 2016-08-05 | Release date: | 2016-08-10 | Identifier: | 2,4-dichloro-5-fluorobenzoic acid |
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![4Z9 4Z9](https://data.pdbj.org/pdbjplus/data/cc/svg/4Z9.svg) | 4Z9 | Name: | (2R)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid | Formula: | C11 H11 N O3 | SMILES: | c12c(c(CC(C(=O)O)O)cn1)cccc2 | InChi: | InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)/t10-/m1/s1 | Definition date: | 2015-06-30 | Last modified: | 2016-08-05 | Release date: | 2016-08-10 | Identifier: | (2R)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid |
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![4ZA 4ZA](https://data.pdbj.org/pdbjplus/data/cc/svg/4ZA.svg) | 4ZA | Name: | 6H-thieno[2,3-b]pyrrole-5-carboxylic acid | Formula: | C7 H5 N O2 S | SMILES: | c12nc(C(O)=O)cc1ccs2 | InChi: | InChI=1S/C7H5NO2S/c9-7(10)5-3-4-1-2-11-6(4)8-5/h1-3,8H,(H,9,10) | Definition date: | 2015-06-30 | Last modified: | 2016-08-05 | Release date: | 2016-08-10 | Identifier: | 6H-thieno[2,3-b]pyrrole-5-carboxylic acid |
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![4ZC 4ZC](https://data.pdbj.org/pdbjplus/data/cc/svg/4ZC.svg) | 4ZC | Name: | 5-chloro-2-hydroxybenzonitrile | Formula: | C7 H4 Cl N O | SMILES: | Oc1c(cc(cc1)Cl)C#N | InChi: | InChI=1S/C7H4ClNO/c8-6-1-2-7(10)5(3-6)4-9/h1-3,10H | Definition date: | 2015-07-01 | Last modified: | 2016-08-05 | Release date: | 2016-08-10 | Identifier: | 5-chloro-2-hydroxybenzonitrile |
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![4ZD 4ZD](https://data.pdbj.org/pdbjplus/data/cc/svg/4ZD.svg) | 4ZD | Name: | (2E)-3-(phenylsulfanyl)prop-2-enoic acid | Formula: | C9 H8 O2 S | SMILES: | c1ccc(S[C@H]=CC(=O)O)cc1 | InChi: | InChI=1S/C9H8O2S/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-7H,(H,10,11) | Definition date: | 2015-07-01 | Last modified: | 2016-08-05 | Release date: | 2016-08-10 | Identifier: | (2E)-3-(phenylsulfanyl)prop-2-enoic acid |
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![4ZF 4ZF](https://data.pdbj.org/pdbjplus/data/cc/svg/4ZF.svg) | 4ZF | Name: | (5E)-5-(3H-indol-3-ylidene)-2,5-dihydro-1H-pyrazole-3-carboxylic acid | Formula: | C12 H9 N3 O2 | SMILES: | C=2C(c1c(cccc1)N=2)=C3/C=C(C(=O)O)NN3 | InChi: | InChI=1S/C12H9N3O2/c16-12(17)11-5-10(14-15-11)8-6-13-9-4-2-1-3-7(8)9/h1-6,14-15H,(H,16,17)/b10-8- | Definition date: | 2015-07-01 | Last modified: | 2016-08-05 | Release date: | 2016-08-10 | Identifier: | (5E)-5-(3H-indol-3-ylidene)-2,5-dihydro-1H-pyrazole-3-carboxylic acid |
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![4ZU 4ZU](https://data.pdbj.org/pdbjplus/data/cc/svg/4ZU.svg) | 4ZU | Name: | 6-bromanyl-1H-indole-2-carboxylic acid | Formula: | C9 H6 Br N O2 | SMILES: | OC(=O)c1[nH]c2cc(Br)ccc2c1 | InChi: | InChI=1S/C9H6BrNO2/c10-6-2-1-5-3-8(9(12)13)11-7(5)4-6/h1-4,11H,(H,12,13) | Definition date: | 2015-07-02 | Last modified: | 2016-08-05 | Release date: | 2016-08-10 | Identifier: | 6-bromanyl-1H-indole-2-carboxylic acid |
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![4ZV 4ZV](https://data.pdbj.org/pdbjplus/data/cc/svg/4ZV.svg) | 4ZV | Name: | 1H-indole-5-carboxylic acid | Formula: | C9 H7 N O2 | SMILES: | OC(=O)c1ccc2[nH]ccc2c1 | InChi: | InChI=1S/C9H7NO2/c11-9(12)7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,(H,11,12) | Definition date: | 2015-07-02 | Last modified: | 2016-08-05 | Release date: | 2016-08-10 | Identifier: | 1H-indole-5-carboxylic acid |
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![50C 50C](https://data.pdbj.org/pdbjplus/data/cc/svg/50C.svg) | 50C | Name: | 3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-amine | Formula: | C10 H10 F N3 | SMILES: | c2c(ccc(c1c(C)c(N)nn1)c2)F | InChi: | InChI=1S/C10H10FN3/c1-6-9(13-14-10(6)12)7-2-4-8(11)5-3-7/h2-5H,1H3,(H3,12,13,14) | Definition date: | 2015-07-06 | Last modified: | 2016-08-05 | Release date: | 2016-08-10 | Identifier: | 3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-amine |
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![52F 52F](https://data.pdbj.org/pdbjplus/data/cc/svg/52F.svg) | 52F | Name: | 3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid | Formula: | C11 H10 N2 O3 | SMILES: | c2ccc1NC(=O)C(CCC(O)=O)=Nc1c2 | InChi: | InChI=1S/C11H10N2O3/c14-10(15)6-5-9-11(16)13-8-4-2-1-3-7(8)12-9/h1-4H,5-6H2,(H,13,16)(H,14,15) | Definition date: | 2015-07-15 | Last modified: | 2016-08-05 | Release date: | 2016-08-10 | Identifier: | 3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid |
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![6CY 6CY](https://data.pdbj.org/pdbjplus/data/cc/svg/6CY.svg) | 6CY | Name: | 5-{4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl}-2-methoxypyridine-3-carbonitrile | Formula: | C28 H24 N6 O3 | SMILES: | C5N(C(=O)C)CCN(C(=O)c1cc(ccc1)c2ncnc4c2cc(c3cc(c(OC)nc3)C#N)cc4)C5 | InChi: | InChI=1S/C28H24N6O3/c1-18(35)33-8-10-34(11-9-33)28(36)21-5-3-4-20(12-21)26-24-14-19(6-7-25(24)31-17-32-26)23-13-22(15-29)27(37-2)30-16-23/h3-7,12-14,16-17H,8-11H2,1-2H3 | Definition date: | 2016-03-15 | Last modified: | 2016-08-05 | Release date: | 2016-08-10 | Identifier: | 5-{4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl}-2-methoxypyridine-3-carbonitrile |
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![6DC 6DC](https://data.pdbj.org/pdbjplus/data/cc/svg/6DC.svg) | 6DC | Name: | N-{2-cyano-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide | Formula: | C19 H19 N5 O3 S | SMILES: | CCCS(=O)(=O)Nc1cccc(c1C#N)Nc2ccc3c(c2)C(N(C=N3)C)=O | InChi: | InChI=1S/C19H19N5O3S/c1-3-9-28(26,27)23-18-6-4-5-17(15(18)11-20)22-13-7-8-16-14(10-13)19(25)24(2)12-21-16/h4-8,10,12,22-23H,3,9H2,1-2H3 | Definition date: | 2016-03-17 | Last modified: | 2016-08-05 | Release date: | 2016-08-10 | Identifier: | N-{2-cyano-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide |
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![6KA 6KA](https://data.pdbj.org/pdbjplus/data/cc/svg/6KA.svg) | 6KA | Name: | N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[(1S)-1-(3-methyl-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine | Formula: | C18 H17 Cl F N7 S | SMILES: | c1(c(c(F)ccc1)Cn2ccc(n2)Nc4sc(C(C)n3ccc(n3)C)nn4)Cl | InChi: | InChI=1S/C18H17ClFN7S/c1-11-6-9-27(24-11)12(2)17-22-23-18(28-17)21-16-7-8-26(25-16)10-13-14(19)4-3-5-15(13)20/h3-9,12H,10H2,1-2H3,(H,21,23,25)/t12-/m0/s1 | Definition date: | 2016-04-21 | Last modified: | 2016-08-05 | Release date: | 2016-08-10 | Identifier: | N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[(1S)-1-(3-methyl-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine |
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![6LN 6LN](https://data.pdbj.org/pdbjplus/data/cc/svg/6LN.svg) | 6LN | Name: | ethane-1,2-dithiol | Formula: | C2 H6 S2 | SMILES: | C(S)CS | InChi: | InChI=1S/C2H6S2/c3-1-2-4/h3-4H,1-2H2 | Definition date: | 2016-05-02 | Last modified: | 2016-08-05 | Release date: | 2016-08-10 | Identifier: | ethane-1,2-dithiol |
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![6MB 6MB](https://data.pdbj.org/pdbjplus/data/cc/svg/6MB.svg) | 6MB | Name: | 4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzene-1-sulfonamide | Formula: | C18 H18 N8 O4 S | SMILES: | c12nc(cnc1N=C(NC2=O)N)CNc3ccc(cc3)S(Nc4onc(c4C)C)(=O)=O | InChi: | InChI=1S/C18H18N8O4S/c1-9-10(2)25-30-17(9)26-31(28,29)13-5-3-11(4-6-13)20-7-12-8-21-15-14(22-12)16(27)24-18(19)23-15/h3-6,8,20,26H,7H2,1-2H3,(H3,19,21,23,24,27) | Definition date: | 2016-05-05 | Last modified: | 2016-08-05 | Release date: | 2016-08-10 | Identifier: | 4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzene-1-sulfonamide |
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![6MW 6MW](https://data.pdbj.org/pdbjplus/data/cc/svg/6MW.svg) | 6MW | Name: | (2S,4S)-2-(pyridin-4-yl)-1,3-thiazolidine-4-carboxylic acid | Formula: | C9 H10 N2 O2 S | SMILES: | c1c(ccnc1)C2SCC(C(O)=O)N2 | InChi: | InChI=1S/C9H10N2O2S/c12-9(13)7-5-14-8(11-7)6-1-3-10-4-2-6/h1-4,7-8,11H,5H2,(H,12,13)/t7-,8+/m1/s1 | Definition date: | 2016-05-09 | Last modified: | 2016-08-05 | Release date: | 2016-08-10 | Identifier: | (2S,4S)-2-(pyridin-4-yl)-1,3-thiazolidine-4-carboxylic acid |
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![6OK 6OK](https://data.pdbj.org/pdbjplus/data/cc/svg/6OK.svg) | 6OK | Name: | 6-amino-2-({2-[4-(2-hydroxyethyl)phenyl]ethyl}amino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | Formula: | C19 H20 N6 O2 | SMILES: | c1c4c(cc2c1nc(n2)NCCc3ccc(cc3)CCO)N=C(NC4=O)N | InChi: | InChI=1S/C19H20N6O2/c20-18-22-14-10-16-15(9-13(14)17(27)25-18)23-19(24-16)21-7-5-11-1-3-12(4-2-11)6-8-26/h1-4,9-10,26H,5-8H2,(H2,21,23,24)(H3,20,22,25,27) | Definition date: | 2016-05-13 | Last modified: | 2016-08-05 | Release date: | 2016-08-10 | Identifier: | 6-amino-2-({2-[4-(2-hydroxyethyl)phenyl]ethyl}amino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one |
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![6P6 6P6](https://data.pdbj.org/pdbjplus/data/cc/svg/6P6.svg) | 6P6 | Name: | 1-(4-phenylazanylquinazolin-7-yl)ethanone | Formula: | C16 H13 N3 O | SMILES: | CC(=O)c1ccc2c(Nc3ccccc3)ncnc2c1 | InChi: | InChI=1S/C16H13N3O/c1-11(20)12-7-8-14-15(9-12)17-10-18-16(14)19-13-5-3-2-4-6-13/h2-10H,1H3,(H,17,18,19) | Definition date: | 2016-05-31 | Last modified: | 2016-08-05 | Release date: | 2016-08-10 | Identifier: | 1-(4-phenylazanylquinazolin-7-yl)ethanone |
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![6P8 6P8](https://data.pdbj.org/pdbjplus/data/cc/svg/6P8.svg) | 6P8 | Name: | ~{N}-(4-phenylazanylquinazolin-7-yl)ethanamide | Formula: | C16 H14 N4 O | SMILES: | CC(=O)Nc1ccc2c(Nc3ccccc3)ncnc2c1 | InChi: | InChI=1S/C16H14N4O/c1-11(21)19-13-7-8-14-15(9-13)17-10-18-16(14)20-12-5-3-2-4-6-12/h2-10H,1H3,(H,19,21)(H,17,18,20) | Definition date: | 2016-05-31 | Last modified: | 2016-08-05 | Release date: | 2016-08-10 | Identifier: | ~{N}-(4-phenylazanylquinazolin-7-yl)ethanamide |
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![3V9 3V9](https://data.pdbj.org/pdbjplus/data/cc/svg/3V9.svg) | 3V9 | Name: | N-(1,3-benzodioxol-5-ylmethyl)-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide | Formula: | C17 H25 N2 O9 P | SMILES: | O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCc1ccc2OCOc2c1 | InChi: | InChI=1S/C17H25N2O9P/c1-17(2,9-28-29(23,24)25)15(21)16(22)18-6-5-14(20)19-8-11-3-4-12-13(7-11)27-10-26-12/h3-4,7,15,21H,5-6,8-10H2,1-2H3,(H,18,22)(H,19,20)(H2,23,24,25)/t15-/m0/s1 | Definition date: | 2014-11-12 | Last modified: | 2016-08-05 | Release date: | 2016-08-10 | Identifier: | N-(1,3-benzodioxol-5-ylmethyl)-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide |
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![6QN 6QN](https://data.pdbj.org/pdbjplus/data/cc/svg/6QN.svg) | 6QN | Name: | ~{N}-ethyl-4-oxidanyl-2-oxidanylidene-1~{H}-1,7-naphthyridine-3-carboxamide | Formula: | C11 H11 N3 O3 | SMILES: | CCNC(=O)C1=C(O)c2ccncc2NC1=O | InChi: | InChI=1S/C11H11N3O3/c1-2-13-10(16)8-9(15)6-3-4-12-5-7(6)14-11(8)17/h3-5H,2H2,1H3,(H,13,16)(H2,14,15,17) | Definition date: | 2016-05-24 | Last modified: | 2016-08-05 | Release date: | 2016-08-10 | Identifier: | ~{N}-ethyl-4-oxidanyl-2-oxidanylidene-1~{H}-1,7-naphthyridine-3-carboxamide |
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![6SM 6SM](https://data.pdbj.org/pdbjplus/data/cc/svg/6SM.svg) | 6SM | Name: | 5-chloranylpyrimidine-4-carboxylic acid | Formula: | C5 H3 Cl N2 O2 | SMILES: | OC(=O)c1ncncc1Cl | InChi: | InChI=1S/C5H3ClN2O2/c6-3-1-7-2-8-4(3)5(9)10/h1-2H,(H,9,10) | Definition date: | 2016-06-15 | Last modified: | 2016-08-05 | Release date: | 2016-08-10 | Identifier: | 5-chloranylpyrimidine-4-carboxylic acid |
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![6VZ 6VZ](https://data.pdbj.org/pdbjplus/data/cc/svg/6VZ.svg) | 6VZ | Name: | (2~{S},4~{S})-1-[4-(aminomethyl)-3-methoxy-phenyl]carbonyl-4-[4-(2-cyclopropylethoxy)-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidin-7-yl]-~{N}-methyl-pyrrolidine-2-carboxamide | Formula: | C27 H36 N6 O4 | SMILES: | CNC(=O)[CH]1C[CH](CN1C(=O)c2ccc(CN)c(OC)c2)N3CCc4c(C3)ncnc4OCCC5CC5 | InChi: | InChI=1S/C27H36N6O4/c1-29-25(34)23-12-20(14-33(23)27(35)18-5-6-19(13-28)24(11-18)36-2)32-9-7-21-22(15-32)30-16-31-26(21)37-10-8-17-3-4-17/h5-6,11,16-17,20,23H,3-4,7-10,12-15,28H2,1-2H3,(H,29,34)/t20-,23-/m0/s1 | Definition date: | 2016-07-08 | Last modified: | 2016-08-05 | Release date: | 2016-08-10 | Identifier: | (2~{S},4~{S})-1-[4-(aminomethyl)-3-methoxy-phenyl]carbonyl-4-[4-(2-cyclopropylethoxy)-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidin-7-yl]-~{N}-methyl-pyrrolidine-2-carboxamide |
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![6WH 6WH](https://data.pdbj.org/pdbjplus/data/cc/svg/6WH.svg) | 6WH | Name: | (2~{S},4~{S})-1-[4-(aminomethyl)-3-methoxy-phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{N}-[(1~{S},2~{R})-2-phenylcyclohexyl]pyrrolidine-2-carboxamide | Formula: | C31 H38 N6 O3 | SMILES: | COc1cc(ccc1CN)C(=O)N2C[CH](C[CH]2C(=O)N[CH]3CCCC[CH]3c4ccccc4)n5cc(nn5)C6CC6 | InChi: | InChI=1S/C31H38N6O3/c1-40-29-15-22(13-14-23(29)17-32)31(39)36-18-24(37-19-27(34-35-37)21-11-12-21)16-28(36)30(38)33-26-10-6-5-9-25(26)20-7-3-2-4-8-20/h2-4,7-8,13-15,19,21,24-26,28H,5-6,9-12,16-18,32H2,1H3,(H,33,38)/t24-,25+,26-,28-/m0/s1 | Definition date: | 2016-07-11 | Last modified: | 2016-08-05 | Release date: | 2016-08-10 | Identifier: | (2~{S},4~{S})-1-[4-(aminomethyl)-3-methoxy-phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{N}-[(1~{S},2~{R})-2-phenylcyclohexyl]pyrrolidine-2-carboxamide |
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![6XU 6XU](https://data.pdbj.org/pdbjplus/data/cc/svg/6XU.svg) | 6XU | Name: | (2S)-4,4-difluoro-1-[[(4S)-4-(4-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-(1,3-thiazol-2-yl)-1H-pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid | Formula: | C22 H21 F3 N4 O4 S | SMILES: | COC(=O)C1=C(CN2CC(F)(F)C[CH]2C(O)=O)NC(=N[C]1(C)c3ccc(F)cc3)c4sccn4 | InChi: | InChI=1S/C22H21F3N4O4S/c1-21(12-3-5-13(23)6-4-12)16(20(32)33-2)14(27-17(28-21)18-26-7-8-34-18)10-29-11-22(24,25)9-15(29)19(30)31/h3-8,15H,9-11H2,1-2H3,(H,27,28)(H,30,31)/t15-,21-/m0/s1 | Definition date: | 2016-07-20 | Last modified: | 2016-08-05 | Release date: | 2016-08-10 | Identifier: | (2~{S})-4,4-bis(fluoranyl)-1-[[(4~{S})-4-(4-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-(1,3-thiazol-2-yl)-1~{H}-pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid |
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