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A5L
A5L
Name:9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-9H-purin-6-amine
Formula:C10 H13 F N5 O6 P
SMILES:O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(F)C3O
InChi:InChI=1S/C10H13FN5O6P/c11-5-7(17)4(1-21-23(18,19)20)22-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17H,1H2,(H2,12,13,14)(H2,18,19,20)/t4-,5+,7-,10-/m1/s1
Synonyms:2'-DEOXY-2'-FLUORO-ARABINO-FURANOSYL ADENINE-5'-PHOSPHATE
Definition date:2009-10-21
Last modified:2020-06-17
Identifier:9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-9H-purin-6-amine
ORE
ORE
Name:4-(2,7-DIFLUORO-6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)ISOPHTHALIC ACID
Formula:C21 H10 F2 O7
SMILES:O=C(O)c4ccc(C=1c3c(OC=2C=1C=C(F)C(=O)C=2)cc(O)c(F)c3)c(C(=O)O)c4
InChi:InChI=1S/C21H10F2O7/c22-13-4-11-17(6-15(13)24)30-18-7-16(25)14(23)5-12(18)19(11)9-2-1-8(20(26)27)3-10(9)21(28)29/h1-7,24H,(H,26,27)(H,28,29)
Synonyms:OREGON GREEN 488 CARBOXYLATE
Definition date:2005-07-21
Last modified:2020-06-17
Identifier:4-(2,7-difluoro-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzene-1,3-dicarboxylic acid
A6G
A6G
Name:2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,5-anhydro-2-deoxy-6-O-phosphono-D-altritol
Formula:C11 H16 N5 O8 P
SMILES:O=P(O)(O)OCC3OCC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
InChi:InChI=1S/C11H16N5O8P/c12-11-14-9-6(10(19)15-11)13-3-16(9)4-1-23-5(8(18)7(4)17)2-24-25(20,21)22/h3-5,7-8,17-18H,1-2H2,(H2,20,21,22)(H3,12,14,15,19)/t4-,5-,7+,8-/m1/s1
Synonyms:((2R,3S,4S,5R)-5-(2-amino-6-oxo-1H-purin-9(6H)-yl)-3,4-dihydroxytetrahydro-2H-pyran-2-yl)methyl dihydrogen phosphate
Definition date:2010-08-26
Last modified:2020-06-17
Identifier:2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,5-anhydro-2-deoxy-6-O-phosphono-D-altritol
OSB
OSB
Name:2-SUCCINYLBENZOATE
Formula:C11 H10 O5
SMILES:O=C(O)c1ccccc1C(=O)CCC(=O)O
InChi:InChI=1S/C11H10O5/c12-9(5-6-10(13)14)7-3-1-2-4-8(7)11(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16)
Synonyms:O-SUCCINYLBENZOATE
Definition date:2000-08-11
Last modified:2020-06-17
Identifier:2-(3-carboxypropanoyl)benzoic acid
A6L
A6L
Name:2,3-dihydroxypropyl (9Z)-octadec-9-enoate
Formula:C21 H40 O4
SMILES:C(C(OCC(CO)O)=O)CCCCCCC=C/CCCCCCCC
InChi:InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-
Synonyms:monoolein
Definition date:2018-10-02
Last modified:2020-06-17
Release date:2019-02-13
Identifier:2,3-dihydroxypropyl (9Z)-octadec-9-enoate
OSP
OSP
Name:SULTHIAME
Formula:C10 H14 N2 O4 S2
SMILES:O=S2(=O)N(c1ccc(cc1)S(=O)(=O)N)CCCC2
InChi:InChI=1S/C10H14N2O4S2/c11-18(15,16)10-5-3-9(4-6-10)12-7-1-2-8-17(12,13)14/h3-6H,1-2,7-8H2,(H2,11,15,16)
Synonyms:4-(1,1-DIOXIDO-1,2-THIAZINAN-2-YL)BENZENESULFONAMIDE
Definition date:2007-06-21
Last modified:2020-06-17
Identifier:4-(1,1-dioxido-1,2-thiazinan-2-yl)benzenesulfonamide
A70
A70
Name:N-ethyl-N-[(4-methylpiperazin-1-yl)carbonyl]-D-phenylalanyl-N-[(1S,2S,4R)-4-(butylcarbamoyl)-1-(cyclohexylmethyl)-2-hyd roxy-5-methylhexyl]-L-norleucinamide
Formula:C42 H70 N6 O5
SMILES:O=C(N1CCN(C)CC1)N3C(C(=O)N(C(C(=O)NC(CC2CCCCC2)C(O)CC(C(=O)NCCCC)C(C)C)CCCC)CC3)Cc4ccccc4
InChi:InChI=1S/C42H70N6O5/c1-6-8-20-36(40(51)44-35(28-32-16-12-10-13-17-32)38(49)30-34(31(3)4)39(50)43-21-9-7-2)47-26-27-48(42(53)46-24-22-45(5)23-25-46)37(41(47)52)29-33-18-14-11-15-19-33/h11,14-15,18-19,31-32,34-38,49H,6-10,12-13,16-17,20-30H2,1-5H3,(H,43,50)(H,44,51)/t34-,35-,36-,37+,38-/m0/s1
Synonyms:A70450
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:(2S,4S,5S)-5-{[(2S)-2-{(3R)-3-benzyl-4-[(4-methylpiperazin-1-yl)carbonyl]-2-oxopiperazin-1-yl}hexanoyl]amino}-N-butyl-6-cyclohexyl-4-hydroxy-2-(1-methylethyl)hexanamide
OT5
OT5
Name:1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-({trans-4-[(dimethylamino)methyl]cyclohexyl}amino)-1,5-naphthyridin-3-yl]ethanone
Formula:C25 H28 Cl2 N4 O2
SMILES:Clc4cc(c1nc2c(c(cnc2cc1)C(=O)C)NC3CCC(CN(C)C)CC3)cc(Cl)c4O
InChi:InChI=1S/C25H28Cl2N4O2/c1-14(32)18-12-28-22-9-8-21(16-10-19(26)25(33)20(27)11-16)30-24(22)23(18)29-17-6-4-15(5-7-17)13-31(2)3/h8-12,15,17,33H,4-7,13H2,1-3H3,(H,28,29)/t15-,17-
Synonyms:OTSSP167
Definition date:2014-02-17
Last modified:2020-06-17
Release date:2014-07-08
Identifier:1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-({trans-4-[(dimethylamino)methyl]cyclohexyl}amino)-1,5-naphthyridin-3-yl]ethanone
OTD
OTD
Name:2-OXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4,6-DICARBOXYLIC ACID
Formula:C6 H6 N2 O5
SMILES:O=C(O)C1C=C(C(=O)O)NC(=O)N1
InChi:InChI=1S/C6H6N2O5/c9-4(10)2-1-3(5(11)12)8-6(13)7-2/h1-2H,(H,9,10)(H,11,12)(H2,7,8,13)/t2-/m1/s1
Synonyms:HDDP
Definition date:2007-03-01
Last modified:2020-06-17
Identifier:(4R)-2-oxo-1,2,3,4-tetrahydropyrimidine-4,6-dicarboxylic acid
OXN
OXN
Name:OXTOXYNOL-10
Formula:C34 H62 O11
SMILES:O(c1ccc(cc1)C(C)(C)CC(C)(C)C)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChi:InChI=1S/C34H62O11/c1-33(2,3)30-34(4,5)31-6-8-32(9-7-31)45-29-28-44-27-26-43-25-24-42-23-22-41-21-20-40-19-18-39-17-16-38-15-14-37-13-12-36-11-10-35/h6-9,35H,10-30H2,1-5H3
Synonyms:ALPHA-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENYL]-OMEGA-HYDROXYPOLY(OXY-1,2-ETHANEDIYL)
Definition date:2001-05-14
Last modified:2020-06-17
Identifier:29-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-3,6,9,12,15,18,21,24,27-nonaoxanonacosan-1-ol
P01
P01
Name:2-({6-[(3-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL
Formula:C19 H25 Cl N6 O
SMILES:Clc1cccc(c1)Nc3nc(nc2c3ncn2C(C)C)NC(C(C)C)CO
InChi:InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
Synonyms:PURVALANOL A
Definition date:2005-02-07
Last modified:2020-06-17
Identifier:(2R)-2-({6-[(3-chlorophenyl)amino]-9-(1-methylethyl)-9H-purin-2-yl}amino)-3-methylbutan-1-ol
P09
P09
Name:2-{[4-(3,4-dimethylphenoxy)phenyl]carbamoyl}benzoic acid
Formula:C22 H19 N O4
SMILES:O=C(O)c1ccccc1C(=O)Nc3ccc(Oc2cc(c(cc2)C)C)cc3
InChi:InChI=1S/C22H19NO4/c1-14-7-10-18(13-15(14)2)27-17-11-8-16(9-12-17)23-21(24)19-5-3-4-6-20(19)22(25)26/h3-13H,1-2H3,(H,23,24)(H,25,26)
Synonyms:BPH-1299
Definition date:2011-06-27
Last modified:2020-06-17
Release date:2012-12-14
Identifier:2-{[4-(3,4-dimethylphenoxy)phenyl]carbamoyl}benzoic acid
P0E
P0E
Name:PHOSPHATIDYL ETHANOL
Formula:C39 H73 O9 P
SMILES:O=C(OC(COP(=O)(OCCO)O)COC(=O)CCCCCCCC=C/CCCCCCCC)CCCCCCCC=C/CCCCCC
InChi:InChI=1S/C39H73O9P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16-18,37,40H,3-13,15,19-36H2,1-2H3,(H,43,44)/b16-14-,18-17-/t37-/m0/s1
Synonyms:(2S)-2-[(9E)-HEXADEC-9-ENOYLOXY]-3-{[HYDROXY(2-HYDROXYETHOXY)PHOSPHORYL]OXY}PROPYL (9E)-OCTADEC-9-ENOATE
Definition date:2005-04-29
Last modified:2020-06-17
Identifier:(2S)-2-[(9Z)-hexadec-9-enoyloxy]-3-{[(R)-hydroxy(2-hydroxyethoxy)phosphoryl]oxy}propyl (9Z)-octadec-9-enoate
P13
P13
Name:N-[2-(3-AMINOPROPOXY)-5-(1H-INDOL-5-YL)BENZYL]-N-(2-PIPERAZIN-1-YLETHYL)AMINE
Formula:C24 H33 N5 O
SMILES:O(c3ccc(c2cc1ccnc1cc2)cc3CNCCN4CCNCC4)CCCN
InChi:InChI=1S/C24H33N5O/c25-7-1-15-30-24-5-3-20(19-2-4-23-21(16-19)6-8-28-23)17-22(24)18-27-11-14-29-12-9-26-10-13-29/h2-6,8,16-17,26-28H,1,7,9-15,18,25H2
Synonyms:RBT550 INHIBITOR
Definition date:2003-12-10
Last modified:2020-06-17
Identifier:3-[4-(1H-indol-5-yl)-2-{[(2-piperazin-1-ylethyl)amino]methyl}phenoxy]propan-1-amine
P14
P14
Name:N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}-4-METHOXYPHENOXY)ETHYL]GUANIDINE
Formula:C16 H31 N7 O2
SMILES:O(c1ccc(OC)cc1CNCCCCNC(=[NH2+])N)CCNC(=[NH2+])N
InChi:InChI=1S/C16H29N7O2/c1-24-13-4-5-14(25-9-8-23-16(19)20)12(10-13)11-21-6-2-3-7-22-15(17)18/h4-5,10,21H,2-3,6-9,11H2,1H3,(H4,17,18,22)(H4,19,20,23)/p+2
Synonyms:RBT203 INHIBITOR
Definition date:2003-12-18
Last modified:2020-06-17
Identifier:amino{[2-(2-{[(4-{[amino(iminio)methyl]amino}butyl)amino]methyl}-4-methoxyphenoxy)ethyl]amino}methaniminium
P1B
P1B
Name:(5R)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione
Formula:C19 H20 N2 O3 S
SMILES:O=C1NC(=O)SC1Cc3ccc(OCCc2ncc(cc2)CC)cc3
InChi:InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)/t17-/m1/s1
Synonyms:PIOGLITAZONE
Definition date:2010-07-14
Last modified:2020-06-17
Identifier:(5R)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione
P1D
P1D
Name:((2S,3AS,4R,6S)-4-(HYDROXYMETHYL)-6-(4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-TETRAHYDROFURO[3,4-D][1,3]DIOXO L-2-YL)METHYLPHOSPHONIC ACID
Formula:C13 H16 N3 O8 P
SMILES:O=C1NC=Nc2c1ncc2C3OC(C4OC(OC34)CP(=O)(O)O)CO
InChi:InChI=1S/C13H16N3O8P/c17-2-6-11-12(24-7(23-11)3-25(19,20)21)10(22-6)5-1-14-9-8(5)15-4-16-13(9)18/h1,4,6-7,10-12,14,17H,2-3H2,(H,15,16,18)(H2,19,20,21)/t6-,7-,10+,11-,12+/m1/s1
Synonyms:9-DEAZAINOSINE-2',3'-O-ETHYLIDENEPHOSPHONATE
Definition date:2005-08-04
Last modified:2020-06-17
Identifier:(1S)-1,4-anhydro-1-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,3-O-[(1S)-2-phosphonoethylidene]-D-ribitol
P1H
P1H
Name:{(2R,3S,4R,5R)-5-[(4S)-3-(AMINOCARBONYL)-4-(2-PROPYLISONICOTINOYL)PYRIDIN-1(4H)-YL]-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL}M ETHYL [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
Formula:C30 H38 N8 O15 P2
SMILES:CCCc1cc(ccn1)C(=O)[CH]2C=CN(C=C2C(N)=O)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O
InChi:InChI=1S/C30H38N8O15P2/c1-2-3-15-8-14(4-6-33-15)21(39)16-5-7-37(9-17(16)27(32)44)29-24(42)22(40)18(51-29)10-49-54(45,46)53-55(47,48)50-11-19-23(41)25(43)30(52-19)38-13-36-20-26(31)34-12-35-28(20)38/h4-9,12-13,16,18-19,22-25,29-30,40-43H,2-3,10-11H2,1H3,(H2,32,44)(H,45,46)(H,47,48)(H2,31,34,35)/t16-,18+,19+,22+,23+,24+,25+,29+,30+/m0/s1
Synonyms:2-PROPYL-ISONICOTINIC-ACYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE
Definition date:2006-11-10
Last modified:2020-06-17
Identifier:[(2R,3S,4R,5R)-5-[(4S)-3-aminocarbonyl-4-(2-propylpyridin-4-yl)carbonyl-4H-pyridin-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate
P2G
P2G
Name:(2S,4R,6R,6AS)-4-(2-AMINO-6-OXO-1,6-DIHYDROPURIN-9-YL)-6-(HYDROXYMETHYL)-TETRAHYDROFURO[3,4-D][1,3]DIOXOL-2-YLPHOSPHONI C ACID
Formula:C11 H14 N5 O8 P
SMILES:O=C4NC(=Nc1c4ncn1C3OC(C2OC(OC23)P(=O)(O)O)CO)N
InChi:InChI=1S/C11H14N5O8P/c12-10-14-7-4(8(18)15-10)13-2-16(7)9-6-5(3(1-17)22-9)23-11(24-6)25(19,20)21/h2-3,5-6,9,11,17H,1H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,5-,6-,9-,11+/m1/s1
Synonyms:GUANOSINE-2',3'-O-METHYLIDENEPHOSPHONATE
Definition date:2005-08-04
Last modified:2020-06-17
Identifier:2',3'-O-(phosphonomethylidene)guanosine
P2O
P2O
Name:3-PROP-2-YN-1-YL-1,3-OXAZOLIDIN-2-ONE
Formula:C6 H7 N O2
SMILES:O=C1OCCN1CC#C
InChi:InChI=1S/C6H7NO2/c1-2-3-7-4-5-9-6(7)8/h1H,3-5H2
Synonyms:1-(PROP-2-YNYL)-OXAZOLIDINE-2-ONE
Definition date:2006-07-26
Last modified:2020-06-17
Identifier:3-prop-2-yn-1-yl-1,3-oxazolidin-2-one
P2P
P2P
Name:N7-(5'-PHOSPHO-ALPHA-RIBOSYL)-2-HYDROXYPURINE
Formula:C10 H13 N4 O8 P
SMILES:O=P(O)(O)OCC3OC(n2cnc1nc(O)ncc12)C(O)C3O
InChi:InChI=1S/C10H13N4O8P/c15-6-5(2-21-23(18,19)20)22-9(7(6)16)14-3-12-8-4(14)1-11-10(17)13-8/h1,3,5-7,9,15-16H,2H2,(H,11,13,17)(H2,18,19,20)/t5-,6-,7-,9+/m1/s1
Synonyms:PHOSPHORIC ACID MONO-[3,4-DIHYDROXY-5-(5-HYDROXY-BENZOIMIDAZOL-1-YL)TETRAHYDRO-FURAN-2-YLMETHYL] ESTER
Definition date:2001-07-10
Last modified:2020-06-17
Identifier:7-(5-O-phosphono-alpha-D-ribofuranosyl)-7H-purin-2-ol
P2Z
P2Z
Name:Promazine
Formula:C17 H20 N2 S
SMILES:S2c1ccccc1N(c3c2cccc3)CCCN(C)C
InChi:InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3
Synonyms:N,N-dimethyl-3-(10H-phenothiazin-10-yl)propan-1-amine
Definition date:2013-08-23
Last modified:2020-06-17
Release date:2014-01-22
Identifier:N,N-dimethyl-3-(10H-phenothiazin-10-yl)propan-1-amine
P3D
P3D
Name:(4-{(E)-[(5-AMINOPENTYL)IMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE
Formula:C13 H22 N3 O5 P
SMILES:O=P(O)(O)OCc1cnc(c(O)c1/C=N/CCCCCN)C
InChi:InChI=1S/C13H22N3O5P/c1-10-13(17)12(8-15-6-4-2-3-5-14)11(7-16-10)9-21-22(18,19)20/h7-8,17H,2-6,9,14H2,1H3,(H2,18,19,20)/b15-8+
Synonyms:PHOSPHORIC ACID MONO-{4-[(5-AMINO-PENTYLIMINO)-METHYL]-5-HYDROXY-6-METHYL-PYRIDIN-3-YLMETHYL} ESTER
Definition date:2007-05-16
Last modified:2020-06-17
Identifier:(4-{(E)-[(5-aminopentyl)imino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
P42
P42
Name:(2S)-2-{[(1R)-1-hydroxyhexadecyl]oxy}-3-{[(1R)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate
Formula:C42 H88 N O8 P
SMILES:[O-]P(=O)(OCC[N+](C)(C)C)OCC(OC(O)CCCCCCCCCCCCCCC)COC(O)CCCCCCCCCCCCCCCCC
InChi:InChI=1S/C42H88NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h40-42,44-45H,6-39H2,1-5H3/t40-,41+,42+/m0/s1
Synonyms:1-Stearoyl-2-Palmitoyl-sn-Glycero-3-Phosphocholine
Definition date:2008-11-25
Last modified:2020-06-17
Identifier:(2S)-2-{[(1R)-1-hydroxyhexadecyl]oxy}-3-{[(1R)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate
P4A
P4A
Name:4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol
Formula:C17 H16 N2 O3
SMILES:Oc3ccc(c2nnc(c2c1ccc(OC)cc1)C)c(O)c3
InChi:InChI=1S/C17H16N2O3/c1-10-16(11-3-6-13(22-2)7-4-11)17(19-18-10)14-8-5-12(20)9-15(14)21/h3-9,20-21H,1-2H3,(H,18,19)
Synonyms:3-(2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-5-methyl-1h-pyrazole
Definition date:2007-12-05
Last modified:2020-06-17
Identifier:4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol

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數據於2025-05-21公開中

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