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HAG
HAG
Name:4-S-GLUTATHIONYL-5-PENTYL-TETRAHYDRO-FURAN-2-OL
Formula:C19 H33 N3 O8 S
SMILES:O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC1C(OC(O)C1)CCCCC
InChi:InChI=1S/C19H33N3O8S/c1-2-3-4-5-13-14(8-17(26)30-13)31-10-12(18(27)21-9-16(24)25)22-15(23)7-6-11(20)19(28)29/h11-14,17,26H,2-10,20H2,1H3,(H,21,27)(H,22,23)(H,24,25)(H,28,29)/t11-,12-,13+,14-,17+/m0/s1
Synonyms:GSHNA
Definition date:1999-07-27
Last modified:2020-06-17
Identifier:L-gamma-glutamyl-S-[(2R,3S,5R)-5-hydroxy-2-pentyltetrahydrofuran-3-yl]-L-cysteinylglycine
HCV
HCV
Name:N-[(5S)-5-amino-5-carboxypentanoyl]-L-homocysteyl-D-valine
Formula:C15 H27 N3 O6 S
SMILES:O=C(NC(C(=O)O)C(C)C)C(NC(=O)CCCC(C(=O)O)N)CCS
InChi:InChI=1S/C15H27N3O6S/c1-8(2)12(15(23)24)18-13(20)10(6-7-25)17-11(19)5-3-4-9(16)14(21)22/h8-10,12,25H,3-7,16H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)(H,23,24)/t9-,10-,12+/m0/s1
Synonyms:Delta-L-alpha-aminoadipoyl-L-homocysteinyl-D-valine
Definition date:2013-01-24
Last modified:2020-06-17
Release date:2013-02-01
Identifier:N-[(5S)-5-amino-5-carboxypentanoyl]-L-homocysteyl-D-valine
TBO
TBO
Name:5-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE
Formula:C16 H20 Cl N3 S
SMILES:S=C2Nc1ccc(Cl)c3c1N2CC(N(C3)CC=C(/C)C)C
InChi:InChI=1S/C16H20ClN3S/c1-10(2)6-7-19-9-12-13(17)4-5-14-15(12)20(8-11(19)3)16(21)18-14/h4-6,11H,7-9H2,1-3H3,(H,18,21)/t11-/m0/s1
Synonyms:TBO 8
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:(5S)-8-chloro-5-methyl-6-(3-methylbut-2-en-1-yl)-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione
THT
THT
Name:TRANS-2-HEXADECENOYL-(N-ACETYL-CYSTEAMINE)-THIOESTER
Formula:C20 H39 N O2 S
SMILES:O=C(SCCNC(=O)C)CCCCCCCCCCCCCCC
InChi:InChI=1S/C20H39NO2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)24-18-17-21-19(2)22/h3-18H2,1-2H3,(H,21,22)
Synonyms:C16-FATTY-ACYL-SUBSTRATE-MIMIC
Definition date:1999-07-19
Last modified:2020-06-17
Identifier:S-[2-(acetylamino)ethyl] hexadecanethioate
KBP
KBP
Name:S-[2-(acetylamino)ethyl] (3R)-3-hydroxydecanethioate
Formula:C14 H27 N O3 S
SMILES:O=C(SCCNC(=O)C)CC(O)CCCCCCC
InChi:InChI=1S/C14H27NO3S/c1-3-4-5-6-7-8-13(17)11-14(18)19-10-9-15-12(2)16/h13,17H,3-11H2,1-2H3,(H,15,16)/t13-/m1/s1
Synonyms:3-hydroxydecanoyl-N-acetylcysteamine
Definition date:2012-07-03
Last modified:2020-06-17
Release date:2012-11-23
Identifier:S-[2-(acetylamino)ethyl] (3R)-3-hydroxydecanethioate
UD2
UD2
Name:URIDINE-DIPHOSPHATE-N-ACETYLGALACTOSAMINE
Formula:C17 H27 N3 O17 P2
SMILES:O=P(OC1OC(C(O)C(O)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O
InChi:InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11+,12-,13-,14-,15-,16-/m1/s1
Synonyms:(2R,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
Definition date:2001-02-21
Last modified:2020-06-17
Identifier:(2R,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
LZ6
LZ6
Name:L-gamma-glutamyl-S-(2-{[4-(3-carboxypropyl)phenyl](2-chloroethyl)amino}ethyl)-L-cysteinylglycine
Formula:C24 H35 Cl N4 O8 S
SMILES:O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSCCN(c1ccc(cc1)CCCC(=O)O)CCCl
InChi:InChI=1S/C24H35ClN4O8S/c25-10-11-29(17-6-4-16(5-7-17)2-1-3-21(31)32)12-13-38-15-19(23(35)27-14-22(33)34)28-20(30)9-8-18(26)24(36)37/h4-7,18-19H,1-3,8-15,26H2,(H,27,35)(H,28,30)(H,31,32)(H,33,34)(H,36,37)/t18-,19-/m0/s1
Synonyms:Chlorambucil-Glutathione Conjugate
Definition date:2008-04-17
Last modified:2020-06-17
Identifier:L-gamma-glutamyl-S-(2-{[4-(3-carboxypropyl)phenyl](2-chloroethyl)amino}ethyl)-L-cysteinylglycine
M8F
M8F
Name:N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-methionine
Formula:C14 H25 N3 O6 S2
SMILES:O=C(NC(C(=O)O)CCSC)C(NC(=O)CCCC(C(=O)O)N)CS
InChi:InChI=1S/C14H25N3O6S2/c1-25-6-5-9(14(22)23)17-12(19)10(7-24)16-11(18)4-2-3-8(15)13(20)21/h8-10,24H,2-7,15H2,1H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)/t8-,9+,10-/m0/s1
Synonyms:L-D-(A-aminoadipoyl)-L-cysteinyl-D-methionine
Definition date:2011-01-19
Last modified:2020-06-17
Identifier:N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-methionine
2FM
2FM
Name:S-(DIFLUOROMETHYL)HOMOCYSTEINE
Formula:C5 H9 F2 N O2 S
SMILES:FC(F)SCCC(C(=O)O)N
InChi:InChI=1S/C5H9F2NO2S/c6-5(7)11-2-1-3(8)4(9)10/h3,5H,1-2,8H2,(H,9,10)/t3-/m0/s1
Synonyms:DIFLUOROMETHIONINE
Definition date:2003-05-28
Last modified:2020-06-17
Identifier:difluoro-L-methionine
TT8
TT8
Name:(2S)-2-azanyl-4-[[(2S,3S,4R,5R)-5-[6-(methylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid
Formula:C15 H22 N6 O5 S
SMILES:O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)NC)C(O)C3O
InChi:InChI=1S/C15H22N6O5S/c1-17-12-9-13(19-5-18-12)21(6-20-9)14-11(23)10(22)8(26-14)4-27-3-2-7(16)15(24)25/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H,24,25)(H,17,18,19)/t7-,8+,10+,11+,14+/m0/s1
Synonyms:S-(N6-Methyladenosyl)-L-homocysteine
Definition date:2011-07-13
Last modified:2020-06-17
Identifier:(2S)-2-amino-4-[({(2S,3S,4R,5R)-3,4-dihydroxy-5-[6-(methylamino)-9H-purin-9-yl]tetrahydrofuran-2-yl}methyl)sulfanyl]butanoic acid (non-preferred name)
99T
99T
Name:L-gamma-glutamyl-S-(2-carboxyethyl)-L-cysteinylglycine
Formula:C13 H21 N3 O8 S
SMILES:O=C(NC(C(=O)NCC(=O)O)CSCCC(=O)O)CCC(C(=O)O)N
InChi:InChI=1S/C13H21N3O8S/c14-7(13(23)24)1-2-9(17)16-8(6-25-4-3-10(18)19)12(22)15-5-11(20)21/h7-8H,1-6,14H2,(H,15,22)(H,16,17)(H,18,19)(H,20,21)(H,23,24)/t7-,8-/m0/s1
Synonyms:S-(propanoic acid)glutathione
Definition date:2013-01-03
Last modified:2020-06-17
Release date:2013-02-15
Identifier:L-gamma-glutamyl-S-(2-carboxyethyl)-L-cysteinylglycine
K95
K95
Name:(4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-{[S-methyl-N-(phenylacetyl)-L-cysteinyl]ami no}-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
Formula:C37 H44 N4 O6 S2
SMILES:O=C(NC2c1ccccc1CC2O)C5N(C(=O)C(O)C(NC(=O)C(NC(=O)Cc3ccccc3)CSC)Cc4ccccc4)CSC5(C)C
InChi:InChI=1S/C37H44N4O6S2/c1-37(2)33(35(46)40-31-26-17-11-10-16-25(26)20-29(31)42)41(22-49-37)36(47)32(44)27(18-23-12-6-4-7-13-23)39-34(45)28(21-48-3)38-30(43)19-24-14-8-5-9-15-24/h4-17,27-29,31-33,42,44H,18-22H2,1-3H3,(H,38,43)(H,39,45)(H,40,46)/t27-,28-,29+,31-,32-,33+/m0/s1
Synonyms:KNI-10395
Definition date:2011-04-12
Last modified:2020-06-17
Identifier:(4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-{[S-methyl-N-(phenylacetyl)-L-cysteinyl]amino}-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
AL7
AL7
Name:(S)-3,4-DIHYDRO-2-(3-METHOXYPHENYL)-4-METHYLAMINO-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE
Formula:C14 H17 N3 O5 S3
SMILES:O=S(=O)(c1sc3c(c1)C(NC)CN(c2cccc(OC)c2)S3(=O)=O)N
InChi:InChI=1S/C14H17N3O5S3/c1-16-12-8-17(9-4-3-5-10(6-9)22-2)25(20,21)14-11(12)7-13(23-14)24(15,18)19/h3-7,12,16H,8H2,1-2H3,(H2,15,18,19)/t12-/m1/s1
Synonyms:AL7099A
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:(4S)-2-(3-methoxyphenyl)-4-(methylamino)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide
AL8
AL8
Name:(R)-3,4-DIHYDRO-2-(3-METHOXYPHENYL)-4-METHYLAMINO-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE
Formula:C14 H17 N3 O5 S3
SMILES:O=S(=O)(c1sc3c(c1)C(NC)CN(c2cccc(OC)c2)S3(=O)=O)N
InChi:InChI=1S/C14H17N3O5S3/c1-16-12-8-17(9-4-3-5-10(6-9)22-2)25(20,21)14-11(12)7-13(23-14)24(15,18)19/h3-7,12,16H,8H2,1-2H3,(H2,15,18,19)/t12-/m0/s1
Synonyms:AL7089A
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:(4R)-2-(3-methoxyphenyl)-4-(methylamino)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide
PDN
PDN
Name:17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE
Formula:C21 H26 O5
SMILES:O=C2CC4(C(C3CCC1=CC(=O)C=CC1(C)C23)CCC4(O)C(O)=CO)C
InChi:InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,11,14-15,18,22,25-26H,3-4,6,8,10H2,1-2H3/b17-11-/t14-,15-,18+,19-,20-,21-/m0/s1
Synonyms:PREDNISONE
Definition date:2001-06-04
Last modified:2020-06-17
Identifier:(8alpha,14beta,17alpha,20Z)-17,20,21-trihydroxypregna-1,4,20-triene-3,11-dione
CGS
CGS
Name:N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE
Formula:C18 H23 N3 O5 S
SMILES:O=C(NO)C(N(S(=O)(=O)c1ccc(OC)cc1)Cc2cccnc2)C(C)C
InChi:InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
Synonyms:CGS-27023A
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(pyridin-3-ylmethyl)-D-valinamide
P6W
P6W
Name:pentanediamide
Formula:C5 H10 N2 O2
SMILES:NC(=O)CCCC(N)=O
InChi:InChI=1S/C5H10N2O2/c6-4(8)2-1-3-5(7)9/h1-3H2,(H2,6,8)(H2,7,9)
Synonyms:Glutaramide
Definition date:2020-04-16
Last modified:2020-06-17
Release date:2020-06-03
Identifier:pentanediamide
MP2
MP2
Name:N-[(BENZYLOXY)CARBONYL]-L-CYSTEINYLGLYCINE
Formula:C13 H16 N2 O5 S
SMILES:O=C(O)CNC(=O)C(NC(=O)OCc1ccccc1)CS
InChi:InChI=1S/C13H16N2O5S/c16-11(17)6-14-12(18)10(8-21)15-13(19)20-7-9-4-2-1-3-5-9/h1-5,10,21H,6-8H2,(H,14,18)(H,15,19)(H,16,17)/t10-/m0/s1
Synonyms:N-CARBOBENZOXY-CYSTEINYL-GLYCINE
Definition date:2006-02-02
Last modified:2020-06-17
Identifier:N-[(benzyloxy)carbonyl]-L-cysteinylglycine
SUG
SUG
Name:N~2~-(3-CARBOXYPROPANOYL)-L-ARGININE
Formula:C10 H18 N4 O5
SMILES:O=C(NC(C(=O)O)CCCNC(=[N@H])N)CCC(=O)O
InChi:InChI=1S/C10H18N4O5/c11-10(12)13-5-1-2-6(9(18)19)14-7(15)3-4-8(16)17/h6H,1-5H2,(H,14,15)(H,16,17)(H,18,19)(H4,11,12,13)/t6-/m0/s1
Synonyms:N~2~-SUCCINYLARGININE
Definition date:2005-02-04
Last modified:2020-06-17
Identifier:N~2~-(3-carboxypropanoyl)-L-arginine
SUO
SUO
Name:N~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINE
Formula:C9 H16 N2 O5
SMILES:O=C(NC(C(=O)O)CCCN)CCC(=O)O
InChi:InChI=1S/C9H16N2O5/c10-5-1-2-6(9(15)16)11-7(12)3-4-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)/t6-/m0/s1
Synonyms:N~2~-SUCCINYLORNITHINE
Definition date:2005-02-04
Last modified:2020-06-17
Identifier:N~2~-(3-carboxypropanoyl)-L-ornithine
EQB
EQB
Name:(2~{S},3~{S})-3-methyl-2-[(1~{R})-2-[[(2~{S})-3-methyl-1-[[(2~{S})-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl] amino]-1-oxidanylidene-butan-2-yl]amino]-1-oxidanyl-2-oxidanylidene-ethyl]pentanoic acid
Formula:C25 H38 N2 O7
SMILES:CC[CH](C)[CH]([CH](O)C(=O)N[CH](C(C)C)C(=O)N[CH](C(C)C)C(=O)OCc1ccccc1)C(O)=O
InChi:InChI=1S/C25H38N2O7/c1-7-16(6)18(24(31)32)21(28)23(30)26-19(14(2)3)22(29)27-20(15(4)5)25(33)34-13-17-11-9-8-10-12-17/h8-12,14-16,18-21,28H,7,13H2,1-6H3,(H,26,30)(H,27,29)(H,31,32)/t16-,18-,19-,20-,21+/m0/s1
Synonyms:Cystargolide B Derivative
Definition date:2018-04-09
Last modified:2020-06-17
Release date:2018-09-12
Identifier:(2~{S},3~{S})-3-methyl-2-[(1~{R})-2-[[(2~{S})-3-methyl-1-[[(2~{S})-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-1-oxidanyl-2-oxidanylidene-ethyl]pentanoic acid
O7S
O7S
Name:(3R,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione
Formula:C30 H40 F N3 O6
SMILES:C2(CC(Cc1nc(co1)C(N3C(C(OC(C(C)C)C(C=CC(=O)NCC=CC(=C2)C)C/C=C)=O)CCC3)=O)F)O
InChi:InChI=1S/C30H40FN3O6/c1-5-8-21-11-12-26(36)32-13-6-9-20(4)15-23(35)16-22(31)17-27-33-24(18-39-27)29(37)34-14-7-10-25(34)30(38)40-28(21)19(2)3/h5-6,9,11-12,15,18-19,21-23,25,28,35H,1,7-8,10,13-14,16-17H2,2-4H3,(H,32,36)/b9-6+,12-11+,20-15+/t21-,22-,23-,25-,28-/m1/s1
Definition date:2019-06-17
Last modified:2020-06-12
Release date:2020-06-17
Identifier:(3R,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione
NTQ
NTQ
Name:(1~{S})-2,2-bis(fluoranyl)-~{N}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]cyclopropane-1-carboxamide
Formula:C17 H20 F2 N4 O2
SMILES:Cc1[nH]nc2NC(=O)C=C([CH]3CC[CH](CC3)NC(=O)[CH]4CC4(F)F)c12
InChi:InChI=1S/C17H20F2N4O2/c1-8-14-11(6-13(24)21-15(14)23-22-8)9-2-4-10(5-3-9)20-16(25)12-7-17(12,18)19/h6,9-10,12H,2-5,7H2,1H3,(H,20,25)(H2,21,22,23,24)/t9-,10-,12-/m0/s1
Definition date:2019-12-13
Last modified:2020-06-05
Release date:2020-06-10
Identifier:(1~{S})-2,2-bis(fluoranyl)-~{N}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]cyclopropane-1-carboxamide
GSN
GSN
Name:2-AMINO-5-[1-(CARBOXYLATOMETHYLCARBAMOYL)-2-NITROSOSULFANYL-ETHYL]AMINO-5-OXO-PENTANOATE
Formula:C10 H14 N4 O7 S
SMILES:O=C(NC(C(=O)NCC([O-])=O)CSN=O)CCC(C([O-])=O)N
InChi:InChI=1S/C10H16N4O7S/c11-5(10(19)20)1-2-7(15)13-6(4-22-14-21)9(18)12-3-8(16)17/h5-6H,1-4,11H2,(H,12,18)(H,13,15)(H,16,17)(H,19,20)/p-2/t5-,6-/m0/s1
Synonyms:S-NITROSOGLUTATHIONE
Definition date:2005-06-28
Last modified:2020-05-27
Identifier:(2S)-2-amino-5-({(1R)-2-[(carboxylatomethyl)amino]-1-[(nitrososulfanyl)methyl]-2-oxoethyl}amino)-5-oxopentanoate
HKS
HKS
Name:3-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-L-tyrosine
Formula:C12 H16 N2 O6 S
SMILES:C(O)(C(N)Cc1cc(SCC(N)C(O)=O)c(c(c1)O)O)=O
InChi:InChI=1S/C12H16N2O6S/c13-6(11(17)18)1-5-2-8(15)10(16)9(3-5)21-4-7(14)12(19)20/h2-3,6-7,15-16H,1,4,13-14H2,(H,17,18)(H,19,20)/t6-,7+/m0/s1
Synonyms:5-cysteinyl-3,4-dihydroxyphenylalanine
Definition date:2018-07-10
Last modified:2020-05-27
Release date:2019-05-22
Identifier:3-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-L-tyrosine

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數據於2025-07-09公開中

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