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FC6

FC6
Name:	HEXACYANOFERRATE(3-)
Formula:	C6 Fe N6
SMILES:	N#C[Fe](C#N)(C#N)(C#N)(C#N)C#N
InChi:	InChI=1S/6CN.Fe/c6*1-2
Synonyms:	FERRI(III)HEXACYANIDE
Definition date:	2006-10-19
Last modified:	2021-03-01
Identifier:	hexakis(cyano-kappaC)iron

FCC

FCC
Name:	1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one
Formula:	C26 H21 N3 O
SMILES:	O=C1N(c2ccccc2)c3ccccc3C1(Cc4ccncc4)Cc5ccncc5
InChi:	InChI=1S/C26H21N3O/c30-25-26(18-20-10-14-27-15-11-20,19-21-12-16-28-17-13-21)23-8-4-5-9-24(23)29(25)22-6-2-1-3-7-22/h1-17H,18-19H2
Synonyms:	Linopirdine
Definition date:	2020-04-27
Last modified:	2021-03-01
Release date:	2020-12-02
Identifier:	1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one

FD5

FD5
Name:	[5-[3-[2-[[4-[2-[1-azanyl-7-[2-[4-[methyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenyl]hydrazinyl]-8-oxidanyl-3,6-bis[tris(oxidanyl)-$l^{4}-sulfanyl]naphthalen-2-yl]hydrazinyl]phenyl]-bis(oxidanyl)-$l^{4}-sulfanyl]ethoxy]-7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate
Formula:	C42 H54 N9 O21 P S4
SMILES:	Cc1cc2N=C3C(=O)N(OCC[S](O)(O)c4ccc(NNc5c(N)c6c(O)c(NNc7ccc(cc7)[S](C)(O)O)c(cc6cc5[S](O)(O)O)[S](O)(O)O)cc4)C(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C
InChi:	InChI=1S/C42H45N9O21PS4/c1-20-14-27-28(15-21(20)2)50(18-29(52)38(54)30(53)19-72-73(58,59)60)40-37(44-27)41(56)51(42(57)45-40)71-12-13-75(63,64)26-10-6-24(7-11-26)46-48-35-31(76(65,66)67)16-22-17-32(77(68,69)70)36(39(55)33(22)34(35)43)49-47-23-4-8-25(9-5-23)74(3,61)62/h4-12,16-17,46-49,55,61-70H,13,18-19,43H2,1-3H3,(H2,58,59,60)/q-1/p-2
Synonyms:	FAD DERIVATIVE
Definition date:	2013-08-12
Last modified:	2021-03-01
Release date:	2013-10-30
Identifier:	[5-[3-[2-[[4-[2-[1-azanyl-7-[2-[4-[methyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenyl]hydrazinyl]-8-oxidanyl-3,6-bis[tris(oxidanyl)-$l^{4}-sulfanyl]naphthalen-2-yl]hydrazinyl]phenyl]-bis(oxidanyl)-$l^{4}-sulfanyl]ethoxy]-7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate

FD6

FD6
Name:	N-[2-(2-chloranylphenothiazin-10-yl)ethyl]-4-methyl-piperazin-1-amine
Formula:	C19 H23 Cl N4 S
SMILES:	CN1CCN(CC1)NCCN2c3ccccc3Sc4ccc(Cl)cc24
InChi:	InChI=1S/C19H23ClN4S/c1-22-10-12-23(13-11-22)21-8-9-24-16-4-2-3-5-18(16)25-19-7-6-15(20)14-17(19)24/h2-7,14,21H,8-13H2,1H3
Synonyms:	FD16
Definition date:	2016-03-10
Last modified:	2021-03-01
Release date:	2017-01-25
Identifier:	N-[2-(2-chloranylphenothiazin-10-yl)ethyl]-4-methyl-piperazin-1-amine

FDU

FDU
Name:	1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione
Formula:	C11 H11 F N2 O5
SMILES:	O=C1NC(=O)N(C=C1C#C)C2OC(C(O)C2F)CO
InChi:	InChI=1S/C11H11FN2O5/c1-2-5-3-14(11(18)13-9(5)17)10-7(12)8(16)6(4-15)19-10/h1,3,6-8,10,15-16H,4H2,(H,13,17,18)/t6-,7+,8-,10-/m1/s1
Synonyms:	(2'S)-2'-DEOXY-2'-FLUORO-5-ETHYNYLURIDINE
Definition date:	2014-02-12
Last modified:	2021-03-01
Release date:	2014-08-13
Identifier:	1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione

FEX

FEX
Name:	METHYL 3-{3-[(CYCLOHEXYLCARBONYL){[4'-(DIMETHYLAMINO)BIPHENYL-4-YL]METHYL}AMINO]PHENYL}ACRYLATE
Formula:	C32 H38 N2 O3
SMILES:	O=C(N(c1cccc(c1)CCC(=O)OC)Cc3ccc(c2ccc(N(C)C)cc2)cc3)C4CCCCC4
InChi:	InChI=1S/C32H38N2O3/c1-33(2)29-19-17-27(18-20-29)26-15-12-25(13-16-26)23-34(32(36)28-9-5-4-6-10-28)30-11-7-8-24(22-30)14-21-31(35)37-3/h7-8,11-13,15-20,22,28H,4-6,9-10,14,21,23H2,1-3H3
Synonyms:	FEXARAMINE
Definition date:	2003-03-20
Last modified:	2021-03-01
Identifier:	methyl 3-{3-[(cyclohexylcarbonyl){[4'-(dimethylamino)biphenyl-4-yl]methyl}amino]phenyl}propanoate

FFA

FFA
Name:	(10ALPHA,13ALPHA,14BETA,17ALPHA)-17-HYDROXYANDROST-4-EN-3-ONE
Formula:	C19 H28 O2
SMILES:	O=C4C=C3C(C2CCC1(C(CCC1O)C2CC3)C)(C)CC4
InChi:	InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17+,18-,19-/m0/s1
Synonyms:	EPI-TESTOSTERONE
Definition date:	2006-10-16
Last modified:	2021-03-01
Identifier:	(10alpha,13alpha,14beta,17alpha)-17-hydroxyandrost-4-en-3-one

FH0

FH0
Name:	~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-pyridin-3-yl-6,7-dihydro-4~{H}-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine
Formula:	C26 H28 N8 O
SMILES:	CN1CCN(CC1)c2ccc(Nc3nccc(n3)c4c5COCCn5nc4c6cccnc6)cc2
InChi:	InChI=1S/C26H28N8O/c1-32-11-13-33(14-12-32)21-6-4-20(5-7-21)29-26-28-10-8-22(30-26)24-23-18-35-16-15-34(23)31-25(24)19-3-2-9-27-17-19/h2-10,17H,11-16,18H2,1H3,(H,28,29,30)
Definition date:	2020-05-13
Last modified:	2021-02-26
Release date:	2021-03-03
Identifier:	~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-pyridin-3-yl-6,7-dihydro-4~{H}-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine

YD1

YD1
Name:	6-[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonyl-1~{H}-pyrimidine-2,4-dione
Formula:	C15 H14 Cl2 N4 O3
SMILES:	Clc1ccc(cc1Cl)N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3
InChi:	InChI=1S/C15H14Cl2N4O3/c16-10-2-1-9(7-11(10)17)20-3-5-21(6-4-20)14(23)12-8-13(22)19-15(24)18-12/h1-2,7-8H,3-6H2,(H2,18,19,22,24)
Definition date:	2021-02-22
Last modified:	2021-02-26
Release date:	2021-03-03
Identifier:	6-[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonyl-1~{H}-pyrimidine-2,4-dione

G3C

G3C
Name:	(1R)-6-chloranyl-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
Formula:	C16 H16 Cl N O3
SMILES:	Oc1ccc(cc1)[CH]2CNCCc3c(Cl)c(O)c(O)cc23
InChi:	InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2/t13-/m1/s1
Definition date:	2020-07-21
Last modified:	2021-02-26
Release date:	2021-03-03
Identifier:	(1~{R})-6-chloranyl-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1~{H}-3-benzazepine-7,8-diol

G3O

G3O
Name:	(1R,3S)-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol
Formula:	C20 H27 N O3
SMILES:	NC[CH]1O[CH](Cc2c(O)c(O)ccc12)C34CC5CC(CC(C5)C3)C4
InChi:	InChI=1S/C20H27NO3/c21-10-17-14-1-2-16(22)19(23)15(14)6-18(24-17)20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,11-13,17-18,22-23H,3-10,21H2/t11-,12+,13-,17-,18-,20-/m0/s1
Definition date:	2020-07-21
Last modified:	2021-02-26
Release date:	2021-03-03
Identifier:	(1~{R},3~{S})-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1~{H}-isochromene-5,6-diol

G3U

G3U
Name:	6-[4-[3-[bis(fluoranyl)methoxy]pyridin-2-yl]oxy-2-methyl-phenyl]-1,5-dimethyl-pyrimidine-2,4-dione
Formula:	C19 H17 F2 N3 O4
SMILES:	CN1C(=O)NC(=O)C(=C1c2ccc(Oc3ncccc3OC(F)F)cc2C)C
InChi:	InChI=1S/C19H17F2N3O4/c1-10-9-12(27-17-14(28-18(20)21)5-4-8-22-17)6-7-13(10)15-11(2)16(25)23-19(26)24(15)3/h4-9,18H,1-3H3,(H,23,25,26)
Definition date:	2020-07-21
Last modified:	2021-02-26
Release date:	2021-03-03
Identifier:	6-[4-[3-[bis(fluoranyl)methoxy]pyridin-2-yl]oxy-2-methyl-phenyl]-1,5-dimethyl-pyrimidine-2,4-dione

G4C

G4C
Name:	2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
Formula:	C24 H29 Cl2 N O3
SMILES:	C[CH]1N([CH](CO)Cc2c(CCC(C)(C)O)cccc12)C(=O)Cc3c(Cl)cccc3Cl
InChi:	InChI=1S/C24H29Cl2NO3/c1-15-18-7-4-6-16(10-11-24(2,3)30)19(18)12-17(14-28)27(15)23(29)13-20-21(25)8-5-9-22(20)26/h4-9,15,17,28,30H,10-14H2,1-3H3/t15-,17+/m0/s1
Definition date:	2020-07-21
Last modified:	2021-02-26
Release date:	2021-03-03
Identifier:	2-[2,6-bis(chloranyl)phenyl]-1-[(1~{S},3~{R})-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]ethanone

GBU

GBU
Name:	(1S)-6-chloranyl-3-methyl-1-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol
Formula:	C18 H20 Cl N O2
SMILES:	CN1CCc2c(Cl)c(O)c(O)cc2[CH](C1)c3cccc(C)c3
InChi:	InChI=1S/C18H20ClNO2/c1-11-4-3-5-12(8-11)15-10-20(2)7-6-13-14(15)9-16(21)18(22)17(13)19/h3-5,8-9,15,21-22H,6-7,10H2,1-2H3/t15-/m0/s1
Definition date:	2020-08-17
Last modified:	2021-02-26
Release date:	2021-03-03
Identifier:	(1~{S})-6-chloranyl-3-methyl-1-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol

QU4

QU4
Name:	3,3'-[(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylene]bis(6-hydroxybenzoic acid)
Formula:	C22 H14 O9
SMILES:	c1c(O)c(cc(c1)/C(c2ccc(c(c2)C(O)=O)O)=C3/C=CC(C(=C3)C(O)=O)=O)C(O)=O
InChi:	InChI=1S/C22H14O9/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31)
Synonyms:	Aurintricarboxylic acid
Definition date:	2019-12-19
Last modified:	2021-02-26
Release date:	2021-03-03
Identifier:	3,3'-[(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylene]bis(6-hydroxybenzoic acid)

HFR

HFR
Name:	[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-[(3S)-3-azanyl-3-(3-bromophenyl)propanoyl]sulfamate
Formula:	C19 H22 Br N7 O7 S
SMILES:	N[CH](CC(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)c4cccc(Br)c4
InChi:	InChI=1S/C19H22BrN7O7S/c20-10-3-1-2-9(4-10)11(21)5-13(28)26-35(31,32)33-6-12-15(29)16(30)19(34-12)27-8-25-14-17(22)23-7-24-18(14)27/h1-4,7-8,11-12,15-16,19,29-30H,5-6,21H2,(H,26,28)(H2,22,23,24)/t11-,12+,15+,16+,19+/m0/s1
Definition date:	2020-12-28
Last modified:	2021-02-26
Release date:	2021-03-03
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(3~{S})-3-azanyl-3-(3-bromophenyl)propanoyl]sulfamate

S0Y

S0Y
Name:	2-(2-ethynyl-5-methyl-1-benzofuran-3-yl)ethanoic acid
Formula:	C13 H10 O3
SMILES:	Cc1ccc2oc(C#C)c(CC(O)=O)c2c1
InChi:	InChI=1S/C13H10O3/c1-3-11-10(7-13(14)15)9-6-8(2)4-5-12(9)16-11/h1,4-6H,7H2,2H3,(H,14,15)
Definition date:	2020-03-03
Last modified:	2021-02-26
Release date:	2021-03-03
Identifier:	2-(2-ethynyl-5-methyl-1-benzofuran-3-yl)ethanoic acid

S4K

S4K
Name:	1-(4-fluorophenyl)-N-[3-fluoro-4-[(3-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide
Formula:	C31 H23 F2 N5 O3
SMILES:	CN1N(C(=O)C(=C1C)C(=O)Nc2ccc(Oc3ccnc4[nH]cc(c5ccccc5)c34)c(F)c2)c6ccc(F)cc6
InChi:	InChI=1S/C31H23F2N5O3/c1-18-27(31(40)38(37(18)2)22-11-8-20(32)9-12-22)30(39)36-21-10-13-25(24(33)16-21)41-26-14-15-34-29-28(26)23(17-35-29)19-6-4-3-5-7-19/h3-17H,1-2H3,(H,34,35)(H,36,39)
Synonyms:	~{N}-[3-fluoranyl-4-[(3-phenyl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-1-(4-fluorophenyl)-2,3-dimethyl-5-oxidanylidene-pyrazole-4-carboxamide
Definition date:	2020-11-06
Last modified:	2021-02-26
Release date:	2021-03-03
Identifier:	~{N}-[3-fluoranyl-4-[(3-phenyl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-1-(4-fluorophenyl)-2,3-dimethyl-5-oxidanylidene-pyrazole-4-carboxamide

MWQ

MWQ
Name:	3-(1~{H}-imidazol-5-yl)propanoic acid
Formula:	C6 H8 N2 O2
SMILES:	OC(=O)CCc1[nH]cnc1
InChi:	InChI=1S/C6H8N2O2/c9-6(10)2-1-5-3-7-4-8-5/h3-4H,1-2H2,(H,7,8)(H,9,10)
Definition date:	2019-10-25
Last modified:	2021-02-26
Release date:	2021-03-03
Identifier:	3-(1~{H}-imidazol-5-yl)propanoic acid

RQK

RQK
Name:	(2~{R})-2-oxidanyl-2-[(6~{S},9~{S},12~{S},15~{S},17~{S})-6,10,12,17-tetramethyl-3-methylidene-7-oxidanyl-2,5,8,11,14-pentakis(oxidanylidene)-13-oxa-1,4,7,10-tetrazabicyclo[13.3.0]octadecan-9-yl]ethanamide
Formula:	C20 H29 N5 O9
SMILES:	C[CH]1C[CH]2N(C1)C(=O)C(=C)NC(=O)[CH](C)N(O)C(=O)[CH]([CH](O)C(N)=O)N(C)C(=O)[CH](C)OC2=O
InChi:	InChI=1S/C20H29N5O9/c1-8-6-12-20(32)34-11(4)18(30)23(5)13(14(26)15(21)27)19(31)25(33)10(3)16(28)22-9(2)17(29)24(12)7-8/h8,10-14,26,33H,2,6-7H2,1,3-5H3,(H2,21,27)(H,22,28)/t8-,10-,11-,12-,13-,14+/m0/s1
Definition date:	2020-10-20
Last modified:	2021-02-26
Release date:	2021-03-03
Identifier:	(2~{R})-2-oxidanyl-2-[(6~{S},9~{S},12~{S},15~{S},17~{S})-6,10,12,17-tetramethyl-3-methylidene-7-oxidanyl-2,5,8,11,14-pentakis(oxidanylidene)-13-oxa-1,4,7,10-tetrazabicyclo[13.3.0]octadecan-9-yl]ethanamide

RTJ

RTJ
Name:	(7R)-8-(cyclopropylmethyl)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one
Formula:	C20 H19 F2 N5 O2
SMILES:	c4(F)c(O)c(cc(Nc1nc2c(cn1)N(CC#C)C(=O)C(C)N2CC3CC3)c4)F
InChi:	InChI=1S/C20H19F2N5O2/c1-3-6-26-16-9-23-20(24-13-7-14(21)17(28)15(22)8-13)25-18(16)27(10-12-4-5-12)11(2)19(26)29/h1,7-9,11-12,28H,4-6,10H2,2H3,(H,23,24,25)/t11-/m1/s1
Definition date:	2020-02-25
Last modified:	2021-02-26
Release date:	2021-03-03
Identifier:	(7R)-8-(cyclopropylmethyl)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one

RUE

RUE
Name:	3-[[(3-Carboxyphenyl)methyl-[2-(hydroxyamino)-2-oxoethyl]amino]methyl]benzoic acid
Formula:	C18 H18 N2 O6
SMILES:	ONC(=O)CN(Cc1cccc(c1)C(O)=O)Cc2cccc(c2)C(O)=O
InChi:	InChI=1S/C18H18N2O6/c21-16(19-26)11-20(9-12-3-1-5-14(7-12)17(22)23)10-13-4-2-6-15(8-13)18(24)25/h1-8,26H,9-11H2,(H,19,21)(H,22,23)(H,24,25)
Synonyms:	3-[[(3-carboxyphenyl)methyl-[2-(oxidanylamino)-2-oxidanylidene-ethyl]amino]methyl]benzoic acid
Definition date:	2020-10-20
Last modified:	2021-02-26
Release date:	2021-03-03
Identifier:	3-[[(3-carboxyphenyl)methyl-[2-(oxidanylamino)-2-oxidanylidene-ethyl]amino]methyl]benzoic acid

RXH

RXH
Name:	Naproxen Methyl Ester
Formula:	C15 H16 O3
SMILES:	COC(=O)[CH](C)c1ccc2cc(OC)ccc2c1
InChi:	InChI=1S/C15H16O3/c1-10(15(16)18-3)11-4-5-13-9-14(17-2)7-6-12(13)8-11/h4-10H,1-3H3/t10-/m0/s1
Synonyms:	Methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
Definition date:	2020-10-29
Last modified:	2021-02-26
Release date:	2021-03-03
Identifier:	methyl (2~{S})-2-(6-methoxynaphthalen-2-yl)propanoate

RXK

RXK
Name:	cyclohexanecarboxylic acid
Formula:	C7 H12 O2
SMILES:	OC(=O)C1CCCCC1
InChi:	InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)
Definition date:	2020-10-30
Last modified:	2021-02-26
Release date:	2021-03-03
Identifier:	cyclohexanecarboxylic acid

ONG

ONG
Name:	{3-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfanyl]-4-hydroxyphenyl}(1,3-dihydro-2H-isoindol-2-yl)methanone
Formula:	C23 H19 N O4 S
SMILES:	c54CN(C(c1cc(c(cc1)O)Sc2cc3c(cc2)OCCO3)=O)Cc4cccc5
InChi:	InChI=1S/C23H19NO4S/c25-19-7-5-15(23(26)24-13-16-3-1-2-4-17(16)14-24)11-22(19)29-18-6-8-20-21(12-18)28-10-9-27-20/h1-8,11-12,25H,9-10,13-14H2
Definition date:	2019-07-01
Last modified:	2021-02-26
Release date:	2021-03-03
Identifier:	{3-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfanyl]-4-hydroxyphenyl}(1,3-dihydro-2H-isoindol-2-yl)methanone

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238582

數據於2025-07-09公開中

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