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98I

98I
Name:	~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
Formula:	C49 H59 N7 O7 S
SMILES:	CC(C)c1ccccc1[CH]2CCCN2C3CC4(CCN(CC4)c5ccc(C(=O)N[S](=O)(=O)c6ccc(NC[CH]7CC[C](C)(O)CC7)c(c6)[N](=O)=O)c(Oc8cnc9[nH]ccc9c8)c5)C3
InChi:	InChI=1S/C49H59N7O7S/c1-32(2)39-7-4-5-8-40(39)43-9-6-22-55(43)36-28-49(29-36)19-23-54(24-20-49)35-10-12-41(45(26-35)63-37-25-34-16-21-50-46(34)52-31-37)47(57)53-64(61,62)38-11-13-42(44(27-38)56(59)60)51-30-33-14-17-48(3,58)18-15-33/h4-5,7-8,10-13,16,21,25-27,31-33,36,43,51,58H,6,9,14-15,17-20,22-24,28-30H2,1-3H3,(H,50,52)(H,53,57)/t33-,43-,48-/m0/s1
Definition date:	2022-01-11
Last modified:	2024-01-12
Release date:	2024-01-17
Identifier:	~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide

JTI

JTI
Name:	2-[4-[(2~{S})-3-[[6-chloranyl-1-(2-methoxyethyl)benzimidazol-2-yl]amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile
Formula:	C21 H23 Cl N4 O3
SMILES:	COCCn1c(NC[CH](O)COc2ccc(CC#N)cc2)nc3ccc(Cl)cc13
InChi:	InChI=1S/C21H23ClN4O3/c1-28-11-10-26-20-12-16(22)4-7-19(20)25-21(26)24-13-17(27)14-29-18-5-2-15(3-6-18)8-9-23/h2-7,12,17,27H,8,10-11,13-14H2,1H3,(H,24,25)/t17-/m0/s1
Definition date:	2023-08-09
Last modified:	2024-01-12
Release date:	2024-01-17
Identifier:	2-[4-[(2~{S})-3-[[6-chloranyl-1-(2-methoxyethyl)benzimidazol-2-yl]amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile

JVO

JVO
Name:	2-[4-[(2~{S})-3-[(6-chloranyl-1-propan-2-yl-benzimidazol-2-yl)amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile
Formula:	C21 H23 Cl N4 O2
SMILES:	CC(C)n1c(NC[CH](O)COc2ccc(CC#N)cc2)nc3ccc(Cl)cc13
InChi:	InChI=1S/C21H23ClN4O2/c1-14(2)26-20-11-16(22)5-8-19(20)25-21(26)24-12-17(27)13-28-18-6-3-15(4-7-18)9-10-23/h3-8,11,14,17,27H,9,12-13H2,1-2H3,(H,24,25)/t17-/m0/s1
Definition date:	2023-08-09
Last modified:	2024-01-12
Release date:	2024-01-17
Identifier:	2-[4-[(2~{S})-3-[(6-chloranyl-1-propan-2-yl-benzimidazol-2-yl)amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile

7S8

7S8
Name:	[(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-selanyl-phosphinous acid
Formula:	C10 H14 N5 O5 P Se
SMILES:	NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)[SeH])O3
InChi:	InChI=1S/C10H14N5O5PSe/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(20-6)2-19-21(18)22/h3-6,16,18,22H,1-2H2,(H3,11,13,14,17)/t4-,5+,6+,21+/m0/s1
Definition date:	2023-03-09
Last modified:	2024-01-11
Release date:	2024-01-10
Identifier:	[(2~{R},3~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-selanyl-phosphinous acid

8H2

8H2
Name:	[(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-selanyl-phosphinous acid
Formula:
SMILES:	NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)[SeH])O3
InChi:	InChI=1S/C10H14N5O5PSe/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(20-6)2-19-21(18)22/h3-6,16,18,22H,1-2H2,(H3,11,13,14,17)/t4-,5+,6+,21-/m0/s1
Definition date:	2023-03-28
Last modified:	2024-01-11
Release date:	2024-01-10
Identifier:	[(2~{R},3~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-selanyl-phosphinous acid

VON

VON
Name:	(3~{S},4~{S},5~{S},6~{R})-4,5,6-tris(oxidanyl)piperidine-3-carboxylic acid
Formula:	C6 H11 N O5
SMILES:	O[CH]1NC[CH]([CH](O)[CH]1O)C(O)=O
InChi:	InChI=1S/C6H11NO5/c8-3-2(6(11)12)1-7-5(10)4(3)9/h2-5,7-10H,1H2,(H,11,12)/t2-,3-,4-,5+/m0/s1
Definition date:	2023-03-21
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	(3~{S},4~{S},5~{S},6~{R})-4,5,6-tris(oxidanyl)piperidine-3-carboxylic acid

YHU

YHU
Name:	~{N}-propan-2-yl-1~{H}-imidazole-4-carboxamide
Formula:	C7 H11 N3 O
SMILES:	CC(C)NC(=O)c1c[nH]cn1
InChi:	InChI=1S/C7H11N3O/c1-5(2)10-7(11)6-3-8-4-9-6/h3-5H,1-2H3,(H,8,9)(H,10,11)
Definition date:	2023-06-19
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	~{N}-propan-2-yl-1~{H}-imidazole-4-carboxamide

VP5

VP5
Name:	(3~{S},4~{R})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid
Formula:	C6 H11 N O5
SMILES:	O[CH]1[CH](CNCC1(O)O)C(O)=O
InChi:	InChI=1S/C6H11NO5/c8-4-3(5(9)10)1-7-2-6(4,11)12/h3-4,7-8,11-12H,1-2H2,(H,9,10)/t3-,4+/m0/s1
Definition date:	2023-03-23
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	(3~{S},4~{R})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid

YIF

YIF
Name:	4-[(1R,2S)-1-hydroxy-2-{[2-(4-hydroxyphenyl)ethyl]amino}propyl]phenol
Formula:	C17 H21 N O3
SMILES:	OC(c1ccc(O)cc1)C(C)NCCc1ccc(O)cc1
InChi:	InChI=1S/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/t12-,17-/m0/s1
Definition date:	2023-06-19
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	4-[(1R,2S)-1-hydroxy-2-{[2-(4-hydroxyphenyl)ethyl]amino}propyl]phenol

UVF

UVF
Name:	3-ethyl-7-(phenylmethyl)-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione
Formula:	C22 H24 N6 O2
SMILES:	CCN1C(=O)NC(=O)c2n(Cc3ccccc3)c(Cc4cn5CCCCc5n4)nc12
InChi:	InChI=1S/C22H24N6O2/c1-2-27-20-19(21(29)25-22(27)30)28(13-15-8-4-3-5-9-15)18(24-20)12-16-14-26-11-7-6-10-17(26)23-16/h3-5,8-9,14H,2,6-7,10-13H2,1H3,(H,25,29,30)
Definition date:	2023-02-14
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	3-ethyl-7-(phenylmethyl)-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione

UVU

UVU
Name:	3-ethyl-8-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione
Formula:	C25 H24 N8 O2 S
SMILES:	CCN1C(=O)NC(=O)c2n(Cc3ccc(cc3)c4ccn(C)n4)c(Cc5cn6cc(C)sc6n5)nc12
InChi:	InChI=1S/C25H24N8O2S/c1-4-32-22-21(23(34)28-24(32)35)33(13-16-5-7-17(8-6-16)19-9-10-30(3)29-19)20(27-22)11-18-14-31-12-15(2)36-25(31)26-18/h5-10,12,14H,4,11,13H2,1-3H3,(H,28,34,35)
Definition date:	2023-02-14
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	3-ethyl-8-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione

UWC

UWC
Name:	methyl (2~{S})-2-azanyl-3-[[3-[[3-ethyl-2,6-bis(oxidanylidene)-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purin-7-yl]methyl]phenyl]carbonylamino]propanoate
Formula:	C27 H32 N8 O5
SMILES:	CCN1C(=O)NC(=O)c2n(Cc3cccc(c3)C(=O)NC[CH](N)C(=O)OC)c(Cc4cn5CCCCc5n4)nc12
InChi:	InChI=1S/C27H32N8O5/c1-3-34-23-22(25(37)32-27(34)39)35(21(31-23)12-18-15-33-10-5-4-9-20(33)30-18)14-16-7-6-8-17(11-16)24(36)29-13-19(28)26(38)40-2/h6-8,11,15,19H,3-5,9-10,12-14,28H2,1-2H3,(H,29,36)(H,32,37,39)/t19-/m0/s1
Definition date:	2023-02-14
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	methyl (2~{S})-2-azanyl-3-[[3-[[3-ethyl-2,6-bis(oxidanylidene)-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purin-7-yl]methyl]phenyl]carbonylamino]propanoate

UWL

UWL
Name:	1-[(3~{S})-3-(4-chloranyl-2-fluoranyl-phenyl)-1,4,8-triazatricyclo[7.4.0.0^{2,7}]trideca-2(7),8-dien-4-yl]-2-(2-ethyl-6-methyl-pyridin-3-yl)oxy-ethanone
Formula:	C26 H28 Cl F N4 O2
SMILES:	CCc1nc(C)ccc1OCC(=O)N2CCc3nc4CCCCn4c3[CH]2c5ccc(Cl)cc5F
InChi:	InChI=1S/C26H28ClFN4O2/c1-3-20-22(10-7-16(2)29-20)34-15-24(33)32-13-11-21-26(31-12-5-4-6-23(31)30-21)25(32)18-9-8-17(27)14-19(18)28/h7-10,14,25H,3-6,11-13,15H2,1-2H3/t25-/m0/s1
Definition date:	2023-02-14
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	1-[(3~{S})-3-(4-chloranyl-2-fluoranyl-phenyl)-1,4,8-triazatricyclo[7.4.0.0^{2,7}]trideca-2(7),8-dien-4-yl]-2-(2-ethyl-6-methyl-pyridin-3-yl)oxy-ethanone

UX3

UX3
Name:	3-ethyl-7-[(4-phenylphenyl)methyl]-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione
Formula:	C28 H28 N6 O2
SMILES:	CCN1C(=O)NC(=O)c2n(Cc3ccc(cc3)c4ccccc4)c(Cc5cn6CCCCc6n5)nc12
InChi:	InChI=1S/C28H28N6O2/c1-2-33-26-25(27(35)31-28(33)36)34(17-19-11-13-21(14-12-19)20-8-4-3-5-9-20)24(30-26)16-22-18-32-15-7-6-10-23(32)29-22/h3-5,8-9,11-14,18H,2,6-7,10,15-17H2,1H3,(H,31,35,36)
Definition date:	2023-02-14
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	3-ethyl-7-[(4-phenylphenyl)methyl]-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione

UXC

UXC
Name:	3-ethyl-8-[(2-methyl-5~{H}-imidazo[2,1-b][1,3]thiazol-6-yl)methyl]-7-(oxetan-3-ylmethyl)purine-2,6-dione
Formula:	C18 H20 N6 O3 S
SMILES:	CCN1C(=O)NC(=O)c2n(CC3COC3)c(Cc4cn5cc(C)sc5n4)nc12
InChi:	InChI=1S/C18H20N6O3S/c1-3-23-15-14(16(25)21-17(23)26)24(6-11-8-27-9-11)13(20-15)4-12-7-22-5-10(2)28-18(22)19-12/h5,7,11H,3-4,6,8-9H2,1-2H3,(H,21,25,26)
Definition date:	2023-02-14
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	3-ethyl-8-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-7-(oxetan-3-ylmethyl)purine-2,6-dione

VRU

VRU
Name:	~{N}-ethyl-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]benzimidazol-1-yl]-2,6-dimethoxy-benzamide
Formula:	C23 H25 N5 O4
SMILES:	CCNC(=O)c1c(OC)cc(cc1OC)n2cnc3cc(ccc23)c4cnn(CCO)c4
InChi:	InChI=1S/C23H25N5O4/c1-4-24-23(30)22-20(31-2)10-17(11-21(22)32-3)28-14-25-18-9-15(5-6-19(18)28)16-12-26-27(13-16)7-8-29/h5-6,9-14,29H,4,7-8H2,1-3H3,(H,24,30)
Definition date:	2023-03-29
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	~{N}-ethyl-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]benzimidazol-1-yl]-2,6-dimethoxy-benzamide

UXL

UXL
Name:	7-(cyclobutylmethyl)-3-ethyl-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione
Formula:	C20 H26 N6 O2
SMILES:	CCN1C(=O)NC(=O)c2n(CC3CCC3)c(Cc4cn5CCCCc5n4)nc12
InChi:	InChI=1S/C20H26N6O2/c1-2-25-18-17(19(27)23-20(25)28)26(11-13-6-5-7-13)16(22-18)10-14-12-24-9-4-3-8-15(24)21-14/h12-13H,2-11H2,1H3,(H,23,27,28)
Definition date:	2023-02-14
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	7-(cyclobutylmethyl)-3-ethyl-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione

YZV

YZV
Name:	(2S,5R)-5-[(1E,3S)-4,4-difluoro-3-hydroxy-4-phenylbut-1-en-1-yl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-ol
Formula:	C21 H29 F2 N5 O2
SMILES:	FC(F)(c1ccccc1)C(O)/C=C/C1CCC(O)N1CCCCCCc1nnn[NH]1
InChi:	InChI=1S/C21H29F2N5O2/c22-21(23,16-8-4-3-5-9-16)18(29)13-11-17-12-14-20(30)28(17)15-7-2-1-6-10-19-24-26-27-25-19/h3-5,8-9,11,13,17-18,20,29-30H,1-2,6-7,10,12,14-15H2,(H,24,25,26,27)/b13-11+/t17-,18-,20-/m0/s1
Definition date:	2023-03-06
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	(2S,5R)-5-[(1E,3S)-4,4-difluoro-3-hydroxy-4-phenylbut-1-en-1-yl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-ol

Z2C

Z2C
Name:	4-({2-[(1R,2R,3R,5S)-3,5-dihydroxy-2-{(3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]butyl}cyclopentyl]ethyl}sulfanyl)butanoic acid
Formula:	C23 H36 O6 S
SMILES:	OC1CC(O)C(CCC(O)Cc2cccc(COC)c2)C1CCSCCCC(=O)O
InChi:	InChI=1S/C23H36O6S/c1-29-15-17-5-2-4-16(12-17)13-18(24)7-8-19-20(22(26)14-21(19)25)9-11-30-10-3-6-23(27)28/h2,4-5,12,18-22,24-26H,3,6-11,13-15H2,1H3,(H,27,28)/t18-,19+,20+,21+,22-/m0/s1
Definition date:	2023-03-06
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	4-({2-[(1R,2R,3R,5S)-3,5-dihydroxy-2-{(3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]butyl}cyclopentyl]ethyl}sulfanyl)butanoic acid

T0L

T0L
Name:	4-(4-chloranyl-3-cyano-phenyl)-1~{H}-indole-6-carboxylic acid
Formula:	C16 H9 Cl N2 O2
SMILES:	OC(=O)c1cc2[nH]ccc2c(c1)c3ccc(Cl)c(c3)C#N
InChi:	InChI=1S/C16H9ClN2O2/c17-14-2-1-9(5-11(14)8-18)13-6-10(16(20)21)7-15-12(13)3-4-19-15/h1-7,19H,(H,20,21)
Definition date:	2022-12-20
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	4-(4-chloranyl-3-cyano-phenyl)-1~{H}-indole-6-carboxylic acid

T0X

T0X
Name:	4-(4-chloranyl-3-cyano-phenyl)-7-methyl-1~{H}-indole-6-carboxylic acid
Formula:	C17 H11 Cl N2 O2
SMILES:	Cc1c2[nH]ccc2c(cc1C(O)=O)c3ccc(Cl)c(c3)C#N
InChi:	InChI=1S/C17H11ClN2O2/c1-9-13(17(21)22)7-14(12-4-5-20-16(9)12)10-2-3-15(18)11(6-10)8-19/h2-7,20H,1H3,(H,21,22)
Definition date:	2022-12-20
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	4-(4-chloranyl-3-cyano-phenyl)-7-methyl-1~{H}-indole-6-carboxylic acid

T1L

T1L
Name:	4-(4-chloranyl-3-pyridin-2-yloxy-phenyl)-~{N}-cyclopropylsulfonyl-7-methyl-1~{H}-indole-6-carboxamide
Formula:	C24 H20 Cl N3 O4 S
SMILES:	Cc1c2[nH]ccc2c(cc1C(=O)N[S](=O)(=O)C3CC3)c4ccc(Cl)c(Oc5ccccn5)c4
InChi:	InChI=1S/C24H20ClN3O4S/c1-14-18(24(29)28-33(30,31)16-6-7-16)13-19(17-9-11-27-23(14)17)15-5-8-20(25)21(12-15)32-22-4-2-3-10-26-22/h2-5,8-13,16,27H,6-7H2,1H3,(H,28,29)
Definition date:	2022-12-20
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	4-(4-chloranyl-3-pyridin-2-yloxy-phenyl)-~{N}-cyclopropylsulfonyl-7-methyl-1~{H}-indole-6-carboxamide

T2F

T2F
Name:	4-(4-chlorophenyl)-7-methyl-1~{H}-indole-6-carboxylic acid
Formula:	C16 H12 Cl N O2
SMILES:	Cc1c2[nH]ccc2c(cc1C(O)=O)c3ccc(Cl)cc3
InChi:	InChI=1S/C16H12ClNO2/c1-9-13(16(19)20)8-14(12-6-7-18-15(9)12)10-2-4-11(17)5-3-10/h2-8,18H,1H3,(H,19,20)
Definition date:	2022-12-20
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	4-(4-chlorophenyl)-7-methyl-1~{H}-indole-6-carboxylic acid

T2O

T2O
Name:	4-(4-chlorophenyl)-~{N}-cyclopropylsulfonyl-7-methyl-1~{H}-indole-6-carboxamide
Formula:	C19 H17 Cl N2 O3 S
SMILES:	Cc1c2[nH]ccc2c(cc1C(=O)N[S](=O)(=O)C3CC3)c4ccc(Cl)cc4
InChi:	InChI=1S/C19H17ClN2O3S/c1-11-16(19(23)22-26(24,25)14-6-7-14)10-17(15-8-9-21-18(11)15)12-2-4-13(20)5-3-12/h2-5,8-10,14,21H,6-7H2,1H3,(H,22,23)
Definition date:	2022-12-20
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	4-(4-chlorophenyl)-~{N}-cyclopropylsulfonyl-7-methyl-1~{H}-indole-6-carboxamide

T3I

T3I
Name:	4-(4-chlorophenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide
Formula:	C18 H18 Cl N3 O3 S
SMILES:	CN(C)[S](=O)(=O)NC(=O)c1cc(c2ccc(Cl)cc2)c3cc[nH]c3c1C
InChi:	InChI=1S/C18H18ClN3O3S/c1-11-15(18(23)21-26(24,25)22(2)3)10-16(14-8-9-20-17(11)14)12-4-6-13(19)7-5-12/h4-10,20H,1-3H3,(H,21,23)
Definition date:	2022-12-20
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	4-(4-chlorophenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide

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