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F5F

F5F
Name:	3-[(1R,2S,4R,6S)-2-ethenyl-4,6-dimethyl-cyclohexyl]-4-oxidanyl-1H-pyridin-2-one
Formula:	C15 H21 N O2
SMILES:	C[CH]1C[CH](C)[CH]([CH](C1)C=C)C2=C(O)C=CNC2=O
InChi:	InChI=1S/C15H21NO2/c1-4-11-8-9(2)7-10(3)13(11)14-12(17)5-6-16-15(14)18/h4-6,9-11,13H,1,7-8H2,2-3H3,(H2,16,17,18)/t9-,10+,11-,13-/m1/s1
Definition date:	2020-03-31
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	3-[(1~{R},2~{S},4~{R},6~{S})-2-ethenyl-4,6-dimethyl-cyclohexyl]-4-oxidanyl-1~{H}-pyridin-2-one

OHZ

OHZ
Name:	1-(3-Chloro-5-trifluoromethoxy-phenyl)-3-[2-(2-hydroxy-ethyl)-phenyl]-urea
Formula:	C16 H14 Cl F3 N2 O3
SMILES:	OCCc1ccccc1NC(=O)Nc2cc(Cl)cc(OC(F)(F)F)c2
InChi:	InChI=1S/C16H14ClF3N2O3/c17-11-7-12(9-13(8-11)25-16(18,19)20)21-15(24)22-14-4-2-1-3-10(14)5-6-23/h1-4,7-9,23H,5-6H2,(H2,21,22,24)
Synonyms:	1-[3-chloranyl-5-(trifluoromethyloxy)phenyl]-3-[2-(2-hydroxyethyl)phenyl]urea
Definition date:	2020-03-13
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	1-[3-chloranyl-5-(trifluoromethyloxy)phenyl]-3-[2-(2-hydroxyethyl)phenyl]urea

Q9M

Q9M
Name:	2-phenyl-N-{5-[(1-{5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}azetidin-3-yl)oxy]-1,3,4-thiadiazol-2-yl}acetamide
Formula:	C23 H21 N7 O3 S2
SMILES:	C3(CN(c2sc(NC(Cc1ccccc1)=O)nn2)C3)Oc5nnc(NC(=O)Cc4ccccc4)s5
InChi:	InChI=1S/C23H21N7O3S2/c31-18(11-15-7-3-1-4-8-15)24-20-26-28-22(34-20)30-13-17(14-30)33-23-29-27-21(35-23)25-19(32)12-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,24,26,31)(H,25,27,32)
Definition date:	2019-10-08
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	2-phenyl-N-{5-[(1-{5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}azetidin-3-yl)oxy]-1,3,4-thiadiazol-2-yl}acetamide

QA4

QA4
Name:	2-cyclopropyl-N-{5-[4-({5-[(cyclopropylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide
Formula:	C19 H25 N7 O3 S2
SMILES:	N(C(CC1CC1)=O)c5nnc(OC4CCN(c2sc(nn2)NC(CC3CC3)=O)CC4)s5
InChi:	InChI=1S/C19H25N7O3S2/c27-14(9-11-1-2-11)20-16-22-24-18(30-16)26-7-5-13(6-8-26)29-19-25-23-17(31-19)21-15(28)10-12-3-4-12/h11-13H,1-10H2,(H,20,22,27)(H,21,23,28)
Definition date:	2019-10-09
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	2-cyclopropyl-N-{5-[4-({5-[(cyclopropylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide

QAA

QAA
Name:	2-phenyl-N-{6-[4-({6-[(phenylacetyl)amino]pyridazin-3-yl}oxy)piperidin-1-yl]pyridazin-3-yl}acetamide
Formula:	C29 H29 N7 O3
SMILES:	c1cc(nnc1NC(Cc2ccccc2)=O)OC5CCN(c3nnc(cc3)NC(=O)Cc4ccccc4)CC5
InChi:	InChI=1S/C29H29N7O3/c37-27(19-21-7-3-1-4-8-21)30-24-11-13-26(34-32-24)36-17-15-23(16-18-36)39-29-14-12-25(33-35-29)31-28(38)20-22-9-5-2-6-10-22/h1-14,23H,15-20H2,(H,30,32,37)(H,31,33,38)
Definition date:	2019-10-09
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	2-phenyl-N-{6-[4-({6-[(phenylacetyl)amino]pyridazin-3-yl}oxy)piperidin-1-yl]pyridazin-3-yl}acetamide

QAJ

QAJ
Name:	2-(pyridin-3-yl)-N-(5-{4-[(5-{[(pyridin-3-yl)acetyl]amino}-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)acetamide
Formula:	C23 H24 N10 O2 S2
SMILES:	N1(CCC(CC1)Nc3nnc(NC(Cc2cccnc2)=O)s3)c4sc(nn4)NC(=O)Cc5cccnc5
InChi:	InChI=1S/C23H24N10O2S2/c34-18(11-15-3-1-7-24-13-15)27-21-30-29-20(36-21)26-17-5-9-33(10-6-17)23-32-31-22(37-23)28-19(35)12-16-4-2-8-25-14-16/h1-4,7-8,13-14,17H,5-6,9-12H2,(H,26,29)(H,27,30,34)(H,28,31,35)
Definition date:	2019-10-10
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	2-(pyridin-3-yl)-N-(5-{4-[(5-{[(pyridin-3-yl)acetyl]amino}-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)acetamide

QAM

QAM
Name:	N-(5-{[1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxy}-1,3,4-thiadiazol-2-yl)-2-phenylacetamide
Formula:	C17 H19 N7 O2 S2
SMILES:	N(c3sc(OC1CCN(CC1)c2sc(N)nn2)nn3)C(Cc4ccccc4)=O
InChi:	InChI=1S/C17H19N7O2S2/c18-14-20-22-16(27-14)24-8-6-12(7-9-24)26-17-23-21-15(28-17)19-13(25)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H2,18,20)(H,19,21,25)
Definition date:	2019-10-10
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	N-(5-{[1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxy}-1,3,4-thiadiazol-2-yl)-2-phenylacetamide

NL8

NL8
Name:	~{N}-(4-aminocarbonylphenyl)-~{N}-methyl-2,4-bis(oxidanyl)benzamide
Formula:	C15 H14 N2 O4
SMILES:	CN(C(=O)c1ccc(O)cc1O)c2ccc(cc2)C(N)=O
InChi:	InChI=1S/C15H14N2O4/c1-17(10-4-2-9(3-5-10)14(16)20)15(21)12-7-6-11(18)8-13(12)19/h2-8,18-19H,1H3,(H2,16,20)
Definition date:	2019-12-06
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	~{N}-(4-aminocarbonylphenyl)-~{N}-methyl-2,4-bis(oxidanyl)benzamide

NLZ

NLZ
Name:	2,4-bis(oxidanyl)benzamide
Formula:	C7 H7 N O3
SMILES:	NC(=O)c1ccc(O)cc1O
InChi:	InChI=1S/C7H7NO3/c8-7(11)5-2-1-4(9)3-6(5)10/h1-3,9-10H,(H2,8,11)
Definition date:	2019-12-06
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	2,4-bis(oxidanyl)benzamide

NMW

NMW
Name:	[2,4-bis(oxidanyl)phenyl]-[(1~{S})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone
Formula:	C23 H22 N2 O5
SMILES:	COc1cc2CCN([CH](c3cccnc3)c2cc1OC)C(=O)c4ccc(O)cc4O
InChi:	InChI=1S/C23H22N2O5/c1-29-20-10-14-7-9-25(23(28)17-6-5-16(26)11-19(17)27)22(15-4-3-8-24-13-15)18(14)12-21(20)30-2/h3-6,8,10-13,22,26-27H,7,9H2,1-2H3/t22-/m1/s1
Definition date:	2019-12-06
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	[2,4-bis(oxidanyl)phenyl]-[(1~{S})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone

NN8

NN8
Name:	[2,4-bis(oxidanyl)phenyl]-[(1~{R})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone
Formula:	C23 H22 N2 O5
SMILES:	COc1cc2CCN([CH](c3cccnc3)c2cc1OC)C(=O)c4ccc(O)cc4O
InChi:	InChI=1S/C23H22N2O5/c1-29-20-10-14-7-9-25(23(28)17-6-5-16(26)11-19(17)27)22(15-4-3-8-24-13-15)18(14)12-21(20)30-2/h3-6,8,10-13,22,26-27H,7,9H2,1-2H3/t22-/m0/s1
Definition date:	2019-12-06
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	[2,4-bis(oxidanyl)phenyl]-[(1~{R})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone

S7V

S7V
Name:	[(2~{R})-4-(phenylmethyl)morpholin-2-yl]methanol
Formula:	C12 H17 N O2
SMILES:	c1(ccccc1)CN2CCOC(CO)C2
InChi:	InChI=1S/C12H17NO2/c14-10-12-9-13(6-7-15-12)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2/t12-/m1/s1
Definition date:	2020-03-05
Last modified:	2020-10-09
Release date:	2020-04-15
Identifier:	[(2R)-4-benzylmorpholin-2-yl]methanol

HL9

HL9
Name:	5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-(1-pyridin-4-ylpiperidin-4-yl)pentanamide
Formula:	C20 H29 N5 O2 S
SMILES:	O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NC3CCN(CC3)c4ccncc4
InChi:	InChI=1S/C20H29N5O2S/c26-18(4-2-1-3-17-19-16(13-28-17)23-20(27)24-19)22-14-7-11-25(12-8-14)15-5-9-21-10-6-15/h5-6,9-10,14,16-17,19H,1-4,7-8,11-13H2,(H,22,26)(H2,23,24,27)/t16-,17-,19-/m0/s1
Definition date:	2019-10-04
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-(1-pyridin-4-ylpiperidin-4-yl)pentanamide

U27

U27
Name:	2-phenyl-N-{5-[(3R)-3-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide
Formula:	C24 H23 N7 O3 S2
SMILES:	C5C(Oc1sc(nn1)NC(Cc2ccccc2)=O)CN(c4nnc(NC(Cc3ccccc3)=O)s4)C5
InChi:	InChI=1S/C24H23N7O3S2/c32-19(13-16-7-3-1-4-8-16)25-21-27-29-23(35-21)31-12-11-18(15-31)34-24-30-28-22(36-24)26-20(33)14-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,25,27,32)(H,26,28,33)/t18-/m1/s1
Definition date:	2019-10-10
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	2-phenyl-N-{5-[(3R)-3-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide

UEY

UEY
Name:	7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
Formula:	C19 H17 N5
SMILES:	c4cccc(CC(c2cc(nc1c2nnn1)N)c3ccccc3)c4
InChi:	InChI=1S/C19H17N5/c20-17-12-16(18-19(21-17)23-24-22-18)15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,12,15H,11H2,(H3,20,21,22,23,24)/t15-/m1/s1
Definition date:	2020-05-14
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine

UF7

UF7
Name:	7-[(1R)-1-phenyl-3-{[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
Formula:	C29 H28 N6
SMILES:	C3C(c1ccccc1)c2ccccc2C3NCCC(c4ccccc4)c5cc(N)nc6c5nnn6
InChi:	InChI=1S/C29H28N6/c30-27-18-25(28-29(32-27)34-35-33-28)21(19-9-3-1-4-10-19)15-16-31-26-17-24(20-11-5-2-6-12-20)22-13-7-8-14-23(22)26/h1-14,18,21,24,26,31H,15-17H2,(H3,30,32,33,34,35)/t21-,24+,26+/m1/s1
Definition date:	2020-05-14
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	7-[(1R)-1-phenyl-3-{[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine

UFA

UFA
Name:	7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
Formula:	C26 H30 N6
SMILES:	c1ccc(cc1)C(c3cc(nc2c3nnn2)N)CCNC4CCC(CC4)c5ccccc5
InChi:	InChI=1S/C26H30N6/c27-24-17-23(25-26(29-24)31-32-30-25)22(20-9-5-2-6-10-20)15-16-28-21-13-11-19(12-14-21)18-7-3-1-4-8-18/h1-10,17,19,21-22,28H,11-16H2,(H3,27,29,30,31,32)/t19-,21-,22-/m1/s1
Definition date:	2020-05-14
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine

UFD

UFD
Name:	7-{(1R)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
Formula:	C28 H32 N6
SMILES:	c1cccc(c1)C(c3cc(nc2nnnc23)N)CCNC64CCC(CC4)(c5ccccc5)CC6
InChi:	InChI=1S/C28H32N6/c29-24-19-23(25-26(31-24)33-34-32-25)22(20-7-3-1-4-8-20)11-18-30-28-15-12-27(13-16-28,14-17-28)21-9-5-2-6-10-21/h1-10,19,22,30H,11-18H2,(H3,29,31,32,33,34)/t22-,27-,28+/m1/s1
Definition date:	2020-05-14
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	7-{(1R)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine

V9D

V9D
Name:	N~1~,N~3~-dihydroxybenzene-1,3-dicarboxamide
Formula:	C8 H8 N2 O4
SMILES:	C(=O)(NO)c1cccc(c1)C(NO)=O
InChi:	InChI=1S/C8H8N2O4/c11-7(9-13)5-2-1-3-6(4-5)8(12)10-14/h1-4,13-14H,(H,9,11)(H,10,12)
Definition date:	2020-07-20
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	N~1~,N~3~-dihydroxybenzene-1,3-dicarboxamide

V9Y

V9Y
Name:	N~2~,N~5~-dihydroxyfuran-2,5-dicarboxamide
Formula:	C6 H6 N2 O5
SMILES:	C(=O)(NO)c1ccc(o1)C(=O)NO
InChi:	InChI=1S/C6H6N2O5/c9-5(7-11)3-1-2-4(13-3)6(10)8-12/h1-2,11-12H,(H,7,9)(H,8,10)
Definition date:	2020-07-21
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	N~2~,N~5~-dihydroxyfuran-2,5-dicarboxamide

VD8

VD8
Name:	3,5-di~{tert}-butylbenzenesulfonamide
Formula:	C14 H23 N O2 S
SMILES:	CC(C)(C)c1cc(cc(c1)[S](N)(=O)=O)C(C)(C)C
InChi:	InChI=1S/C14H23NO2S/c1-13(2,3)10-7-11(14(4,5)6)9-12(8-10)18(15,16)17/h7-9H,1-6H3,(H2,15,16,17)
Definition date:	2019-10-17
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	3,5-di~{tert}-butylbenzenesulfonamide

GQU

GQU
Name:	(3~{S},3~{a}~{S},6~{a}~{R})-2-[3-[3,5-bis(fluoranyl)phenyl]propanoyl]-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide
Formula:	C24 H29 F2 N3 O4
SMILES:	Fc1cc(F)cc(CCC(=O)N2C[CH]3CCC[CH]3[CH]2C(=O)N[CH](C[CH]4CCNC4=O)C=O)c1
InChi:	InChI=1S/C24H29F2N3O4/c25-17-8-14(9-18(26)11-17)4-5-21(31)29-12-16-2-1-3-20(16)22(29)24(33)28-19(13-30)10-15-6-7-27-23(15)32/h8-9,11,13,15-16,19-20,22H,1-7,10,12H2,(H,27,32)(H,28,33)/t15-,16-,19-,20-,22-/m0/s1
Definition date:	2020-09-23
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	(3~{S},3~{a}~{S},6~{a}~{R})-2-[3-[3,5-bis(fluoranyl)phenyl]propanoyl]-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide

E9U

E9U
Name:	(2~{S})-4-[(2~{R})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]butanoic acid
Formula:	C15 H22 N3 O9 P S
SMILES:	Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](CCSC[CH](N)C(O)=O)C(O)=O)c1O
InChi:	InChI=1S/C15H22N3O9PS/c1-8-13(19)10(9(4-17-8)6-27-28(24,25)26)5-18-12(15(22)23)2-3-29-7-11(16)14(20)21/h4-5,11-12,19H,2-3,6-7,16H2,1H3,(H,20,21)(H,22,23)(H2,24,25,26)/b18-5+/t11-,12-/m0/s1
Definition date:	2019-11-27
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	(2~{S})-4-[(2~{R})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]butanoic acid

FQL

FQL
Name:	(2S,3R)-N-[(E)-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-2-(methylamino)-3-oxidanyl-butanamide
Formula:	C17 H20 Cl2 N4 O3
SMILES:	CN[CH]([CH](C)O)C(=O)NCC=CCN1C=Nc2cc(Cl)c(Cl)cc2C1=O
InChi:	InChI=1S/C17H20Cl2N4O3/c1-10(24)15(20-2)16(25)21-5-3-4-6-23-9-22-14-8-13(19)12(18)7-11(14)17(23)26/h3-4,7-10,15,20,24H,5-6H2,1-2H3,(H,21,25)/b4-3+/t10-,15+/m1/s1
Definition date:	2020-06-15
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	(2~{S},3~{R})-~{N}-[(~{E})-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-2-(methylamino)-3-oxidanyl-butanamide

FQR

FQR
Name:	[(E)-4-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)but-2-enyl] (2S,3R)-2-azanyl-3-oxidanyl-butanoate
Formula:	C16 H17 Br Cl N3 O4
SMILES:	C[CH](O)[CH](N)C(=O)OCC=CCN1C=Nc2cc(Br)c(Cl)cc2C1=O
InChi:	InChI=1S/C16H17BrClN3O4/c1-9(22)14(19)16(24)25-5-3-2-4-21-8-20-13-7-11(17)12(18)6-10(13)15(21)23/h2-3,6-9,14,22H,4-5,19H2,1H3/b3-2+/t9-,14+/m1/s1
Definition date:	2020-06-15
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	[(~{E})-4-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)but-2-enyl] (2~{S},3~{R})-2-azanyl-3-oxidanyl-butanoate

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數據於2024-07-17公開中

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