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RXN

RXN
Name:	(S)-2-benzyl-6-(8-chloro-5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-7-oxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridine-3-carboxamide
Formula:	C24 H22 Cl N5 O4
SMILES:	CN1C(=O)[CH](COc2cc(Cl)ccc12)N3CCc4c(nn(Cc5ccccc5)c4C(N)=O)C3=O
InChi:	InChI=1S/C24H22ClN5O4/c1-28-17-8-7-15(25)11-19(17)34-13-18(23(28)32)29-10-9-16-20(24(29)33)27-30(21(16)22(26)31)12-14-5-3-2-4-6-14/h2-8,11,18H,9-10,12-13H2,1H3,(H2,26,31)/t18-/m0/s1
Synonyms:	6-[(3S)-8-chloranyl-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-7-oxidanylidene-2-(phenylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide
Definition date:	2020-10-31
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	6-[(3~{S})-8-chloranyl-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-7-oxidanylidene-2-(phenylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide

SZW

SZW
Name:	3-[(3~{S})-3-[(7-chloranyl-9~{H}-pyrimido[4,5-b]indol-4-yl)-methyl-amino]piperidin-1-yl]propanenitrile
Formula:	C19 H21 Cl N6
SMILES:	CN([CH]1CCCN(CCC#N)C1)c2ncnc3[nH]c4cc(Cl)ccc4c23
InChi:	InChI=1S/C19H21ClN6/c1-25(14-4-2-8-26(11-14)9-3-7-21)19-17-15-6-5-13(20)10-16(15)24-18(17)22-12-23-19/h5-6,10,12,14H,2-4,8-9,11H2,1H3,(H,22,23,24)/t14-/m0/s1
Definition date:	2020-12-08
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	3-[(3~{S})-3-[(7-chloranyl-9~{H}-pyrimido[4,5-b]indol-4-yl)-methyl-amino]piperidin-1-yl]propanenitrile

SJS

SJS
Name:	4-[5-[2,6-bis(fluoranyl)phenyl]-2~{H}-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-oxidanylpiperidin-1-yl)-1~{H}-pyrimidin-6-one
Formula:	C21 H18 F2 N6 O2
SMILES:	OC1CCN(CC1)C2=NC(=CC(=O)N2)c3[nH]nc4ncc(cc34)c5c(F)cccc5F
InChi:	InChI=1S/C21H18F2N6O2/c22-14-2-1-3-15(23)18(14)11-8-13-19(27-28-20(13)24-10-11)16-9-17(31)26-21(25-16)29-6-4-12(30)5-7-29/h1-3,8-10,12,30H,4-7H2,(H,24,27,28)(H,25,26,31)
Definition date:	2020-03-10
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	4-[5-[2,6-bis(fluoranyl)phenyl]-2~{H}-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-oxidanylpiperidin-1-yl)-1~{H}-pyrimidin-6-one

SV8

SV8
Name:	3-[3-(phenylmethyl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-4,5-dihydro-1~{H}-pyrrolo[3,4-b]pyrrol-6-one
Formula:	C20 H16 N4 O
SMILES:	O=C1NCc2c1[nH]cc2c3cnc4[nH]cc(Cc5ccccc5)c4c3
InChi:	InChI=1S/C20H16N4O/c25-20-18-17(11-24-20)16(10-21-18)14-7-15-13(8-22-19(15)23-9-14)6-12-4-2-1-3-5-12/h1-5,7-10,21H,6,11H2,(H,22,23)(H,24,25)
Definition date:	2020-12-02
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	3-[3-(phenylmethyl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-4,5-dihydro-1~{H}-pyrrolo[3,4-b]pyrrol-6-one

SVH

SVH
Name:	3-(6-fluoranyl-1~{H}-indazol-4-yl)-4,5-dihydro-1~{H}-pyrrolo[3,4-b]pyrrol-6-one
Formula:	C13 H9 F N4 O
SMILES:	Fc1cc2[nH]ncc2c(c1)c3c[nH]c4C(=O)NCc34
InChi:	InChI=1S/C13H9FN4O/c14-6-1-7(9-5-17-18-11(9)2-6)8-3-15-12-10(8)4-16-13(12)19/h1-3,5,15H,4H2,(H,16,19)(H,17,18)
Definition date:	2020-12-02
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	3-(6-fluoranyl-1~{H}-indazol-4-yl)-4,5-dihydro-1~{H}-pyrrolo[3,4-b]pyrrol-6-one

SVK

SVK
Name:	3-(phenylmethyl)-1~{H}-pyrrolo[2,3-b]pyridine
Formula:	C14 H12 N2
SMILES:	C(c1ccccc1)c2c[nH]c3ncccc23
InChi:	InChI=1S/C14H12N2/c1-2-5-11(6-3-1)9-12-10-16-14-13(12)7-4-8-15-14/h1-8,10H,9H2,(H,15,16)
Definition date:	2020-12-02
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	3-(phenylmethyl)-1~{H}-pyrrolo[2,3-b]pyridine

SW5

SW5
Name:	3-[(4-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine
Formula:	C22 H22 F N5
SMILES:	Fc1ccc(Cc2c[nH]c3ncc(cc23)c4cnn(c4)C5CCNCC5)cc1
InChi:	InChI=1S/C22H22FN5/c23-19-3-1-15(2-4-19)9-17-12-26-22-21(17)10-16(11-25-22)18-13-27-28(14-18)20-5-7-24-8-6-20/h1-4,10-14,20,24H,5-9H2,(H,25,26)
Definition date:	2020-12-02
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	3-[(4-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine

SW8

SW8
Name:	3-[(3-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine
Formula:	C22 H22 F N5
SMILES:	Fc1cccc(Cc2c[nH]c3ncc(cc23)c4cnn(c4)C5CCNCC5)c1
InChi:	InChI=1S/C22H22FN5/c23-19-3-1-2-15(9-19)8-17-12-26-22-21(17)10-16(11-25-22)18-13-27-28(14-18)20-4-6-24-7-5-20/h1-3,9-14,20,24H,4-8H2,(H,25,26)
Definition date:	2020-12-02
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	3-[(3-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine

SWB

SWB
Name:	3-(3-methyl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)-1~{H}-pyrrolo[3,4-b]pyrrol-6-one
Formula:	C14 H12 N4 O
SMILES:	Cc1c[nH]c2ncc(cc12)c3c[nH]c4C(=O)NCc34
InChi:	InChI=1S/C14H12N4O/c1-7-3-16-13-9(7)2-8(4-17-13)10-5-15-12-11(10)6-18-14(12)19/h2-5,15H,6H2,1H3,(H,16,17)(H,18,19)
Definition date:	2020-12-02
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	3-(3-methyl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)-4,5-dihydro-1~{H}-pyrrolo[3,4-b]pyrrol-6-one

SWK

SWK
Name:	3-[(2-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine
Formula:	C22 H22 F N5
SMILES:	Fc1ccccc1Cc2c[nH]c3ncc(cc23)c4cnn(c4)C5CCNCC5
InChi:	InChI=1S/C22H22FN5/c23-21-4-2-1-3-15(21)9-17-12-26-22-20(17)10-16(11-25-22)18-13-27-28(14-18)19-5-7-24-8-6-19/h1-4,10-14,19,24H,5-9H2,(H,25,26)
Definition date:	2020-12-02
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	3-[(2-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine

SWN

SWN
Name:	3-(phenylmethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine
Formula:	C22 H23 N5
SMILES:	C1CC(CCN1)n2cc(cn2)c3cnc4[nH]cc(Cc5ccccc5)c4c3
InChi:	InChI=1S/C22H23N5/c1-2-4-16(5-3-1)10-18-13-25-22-21(18)11-17(12-24-22)19-14-26-27(15-19)20-6-8-23-9-7-20/h1-5,11-15,20,23H,6-10H2,(H,24,25)
Definition date:	2020-12-02
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	3-(phenylmethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine

FGX

FGX
Name:	[(1~{R},5~{R},6~{S},8~{R})-8-(6-aminopurin-9-yl)-4'-[(~{R})-oxidanyl-[4-(2-oxidanylidenepropylsulfanyl)phenyl]methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-6-yl]methoxy-tris(oxidanyl)phosphanium
Formula:	C28 H31 B N5 O9 P S
SMILES:	CC(=O)CSc1ccc(cc1)[CH](O)c2ccc3CC[B-]4(O[CH]5[CH](CO[P+](O)(O)O)O[CH]([CH]5O4)n6cnc7c(N)ncnc67)c3c2
InChi:	InChI=1S/C28H31BN5O9PS/c1-15(35)12-45-19-6-4-17(5-7-19)23(36)18-3-2-16-8-9-29(20(16)10-18)42-24-21(11-40-44(37,38)39)41-28(25(24)43-29)34-14-33-22-26(30)31-13-32-27(22)34/h2-7,10,13-14,21,23-25,28,36-39H,8-9,11-12H2,1H3,(H2,30,31,32)/t21-,23+,24-,25+,28+,29+/m0/s1
Definition date:	2020-05-12
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	[(1~{R},5~{R},6~{S},8~{R})-8-(6-aminopurin-9-yl)-4'-[(~{R})-oxidanyl-[4-(2-oxidanylidenepropylsulfanyl)phenyl]methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-6-yl]methoxy-tris(oxidanyl)phosphanium

QWN

QWN
Name:	6-bromanyl-5-chloranyl-1~{H}-[1,2,3]triazolo[4,5-b]pyridine
Formula:	C5 H2 Br Cl N4
SMILES:	Clc1nc2nn[nH]c2cc1Br
InChi:	InChI=1S/C5H2BrClN4/c6-2-1-3-5(8-4(2)7)10-11-9-3/h1H,(H,8,9,10,11)
Definition date:	2020-08-14
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	6-bromanyl-5-chloranyl-1~{H}-[1,2,3]triazolo[4,5-b]pyridine

QWW

QWW
Name:	5,6,7-tris(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine
Formula:	C5 H Br3 N4
SMILES:	Brc1nc2nn[nH]c2c(Br)c1Br
InChi:	InChI=1S/C5HBr3N4/c6-1-2(7)4(8)9-5-3(1)10-12-11-5/h(H,9,10,11,12)
Definition date:	2020-08-17
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	5,6,7-tris(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine

QX2

QX2
Name:	5,6,7-tris(bromanyl)-1~{H}-imidazo[4,5-b]pyridine
Formula:	C6 H2 Br3 N3
SMILES:	Brc1nc2nc[nH]c2c(Br)c1Br
InChi:	InChI=1S/C6H2Br3N3/c7-2-3(8)5(9)12-6-4(2)10-1-11-6/h1H,(H,10,11,12)
Definition date:	2020-08-18
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	5,6,7-tris(bromanyl)-1~{H}-imidazo[4,5-b]pyridine

S8T

S8T
Name:	9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepine
Formula:	C17 H17 F S
SMILES:	CC(C)c1ccc2Sc3cc(F)ccc3CCc2c1
InChi:	InChI=1S/C17H17FS/c1-11(2)13-6-8-16-14(9-13)4-3-12-5-7-15(18)10-17(12)19-16/h5-11H,3-4H2,1-2H3
Synonyms:	Isofloxythepin
Definition date:	2020-11-11
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepine

R9W

R9W
Name:	2,3,5,6,7,8-hexahydro-1~{H}-cyclopenta[b]quinolin-9-amine
Formula:	C12 H16 N2
SMILES:	Nc1c2CCCCc2nc3CCCc13
InChi:	InChI=1S/C12H16N2/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h1-7H2,(H2,13,14)
Definition date:	2020-09-21
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	2,3,5,6,7,8-hexahydro-1~{H}-cyclopenta[b]quinolin-9-amine

RQT

RQT
Name:	~{N}-[3-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanamide
Formula:	C16 H15 N3 O
SMILES:	CCC(=O)Nc1cccc(c1)c2c[nH]c3ncccc23
InChi:	InChI=1S/C16H15N3O/c1-2-15(20)19-12-6-3-5-11(9-12)14-10-18-16-13(14)7-4-8-17-16/h3-10H,2H2,1H3,(H,17,18)(H,19,20)
Definition date:	2020-10-20
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	~{N}-[3-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanamide

RQZ

RQZ
Name:	3-[3-(propanoylamino)phenyl]-1~{H}-pyrrolo[2,3-b]pyridine-5-carboxamide
Formula:	C17 H16 N4 O2
SMILES:	CCC(=O)Nc1cccc(c1)c2c[nH]c3ncc(cc23)C(N)=O
InChi:	InChI=1S/C17H16N4O2/c1-2-15(22)21-12-5-3-4-10(6-12)14-9-20-17-13(14)7-11(8-19-17)16(18)23/h3-9H,2H2,1H3,(H2,18,23)(H,19,20)(H,21,22)
Definition date:	2020-10-20
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	3-[3-(propanoylamino)phenyl]-1~{H}-pyrrolo[2,3-b]pyridine-5-carboxamide

21G

21G
Name:	(2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
Formula:	C20 H19 F2 N5 O2
SMILES:	O=C(O)C5C1CCC(CC1)C5Nc2nc(ncc2F)c4c3cc(F)cnc3nc4
InChi:	InChI=1S/C20H19F2N5O2/c21-11-5-12-13(7-24-17(12)23-6-11)18-25-8-14(22)19(27-18)26-16-10-3-1-9(2-4-10)15(16)20(28)29/h5-10,15-16H,1-4H2,(H,23,24)(H,28,29)(H,25,26,27)/t9-,10+,15-,16-/m0/s1
Synonyms:	3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
Definition date:	2014-03-03
Last modified:	2020-11-26
Release date:	2014-07-30
Identifier:	(1R,2S,3S,4R)-3-{[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino}bicyclo[2.2.2]octane-2-carboxylic acid

Z8I

Z8I
Name:	(3R,5S)-3-fluoro-5-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-1-(2-hydroxy-2-methylpropyl)pyrrolidin-2-one
Formula:	C30 H29 F9 N2 O5 S
SMILES:	C2CN(C(=O)C1N(C(C(C1)F)=O)CC(O)(C)C)C3CCc5cc(C(C(F)(F)F)(F)C(F)(F)F)ccc5C23S(c4ccc(cc4)F)(=O)=O
InChi:	InChI=1S/C30H29F9N2O5S/c1-26(2,44)15-41-22(14-21(32)24(41)42)25(43)40-12-11-27(47(45,46)19-7-5-18(31)6-8-19)20-9-4-17(13-16(20)3-10-23(27)40)28(33,29(34,35)36)30(37,38)39/h4-9,13,21-23,44H,3,10-12,14-15H2,1-2H3/t21-,22+,23-,27-/m1/s1
Definition date:	2020-08-31
Last modified:	2020-11-20
Release date:	2020-11-25
Identifier:	(3R,5S)-3-fluoro-5-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-1-(2-hydroxy-2-methylpropyl)pyrrolidin-2-one

FJ0

FJ0
Name:	2-(2-methylpyridin-4-yl)-N-[2-morpholin-4-yl-5-[(3R)-3-oxidanylpyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide
Formula:	C24 H25 N7 O5
SMILES:	Cc1cc(ccn1)c2occ(n2)C(=O)Nc3cc4oc(nc4nc3N5CC[CH](O)C5)N6CCOCC6
InChi:	InChI=1S/C24H25N7O5/c1-14-10-15(2-4-25-14)23-27-18(13-35-23)22(33)26-17-11-19-20(28-21(17)31-5-3-16(32)12-31)29-24(36-19)30-6-8-34-9-7-30/h2,4,10-11,13,16,32H,3,5-9,12H2,1H3,(H,26,33)/t16-/m1/s1
Definition date:	2020-05-14
Last modified:	2020-11-20
Release date:	2020-11-25
Identifier:	2-(2-methylpyridin-4-yl)-~{N}-[2-morpholin-4-yl-5-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide

RXQ

RXQ
Name:	N-[3-[5-(4-Chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]benzenesulfonamide
Formula:	C26 H16 Cl F2 N3 O3 S
SMILES:	Fc1ccc(N[S](=O)(=O)c2ccccc2)c(F)c1C(=O)c3c[nH]c4ncc(cc34)c5ccc(Cl)cc5
InChi:	InChI=1S/C26H16ClF2N3O3S/c27-17-8-6-15(7-9-17)16-12-19-20(14-31-26(19)30-13-16)25(33)23-21(28)10-11-22(24(23)29)32-36(34,35)18-4-2-1-3-5-18/h1-14,32H,(H,30,31)
Synonyms:	N-[3-[[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]-2,4-bis(fluoranyl)phenyl]benzenesulfonamide
Definition date:	2020-10-31
Last modified:	2020-11-20
Release date:	2020-11-25
Identifier:	~{N}-[3-[[5-(4-chlorophenyl)-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]-2,4-bis(fluoranyl)phenyl]benzenesulfonamide

S1Z

S1Z
Name:	(2~{R})-2-[[3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
Formula:	C17 H18 N6 O
SMILES:	CC[CH](CO)Nc1ccc2ncc(n2n1)c3ccc4n[nH]cc4c3
InChi:	InChI=1S/C17H18N6O/c1-2-13(10-24)20-16-5-6-17-18-9-15(23(17)22-16)11-3-4-14-12(7-11)8-19-21-14/h3-9,13,24H,2,10H2,1H3,(H,19,21)(H,20,22)/t13-/m1/s1
Definition date:	2020-11-06
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	(2~{R})-2-[[3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol

NZ8

NZ8
Name:	1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-(5-oxidanylidene-6-pyridin-4-yl-pyrido[2,3-b][1,5]benzoxazepin-9-yl)urea
Formula:	C25 H15 Cl F3 N5 O3
SMILES:	FC(F)(F)c1cc(NC(=O)Nc2ccc3N(C(=O)c4cccnc4Oc3c2)c5ccncc5)ccc1Cl
InChi:	InChI=1S/C25H15ClF3N5O3/c26-19-5-3-14(12-18(19)25(27,28)29)32-24(36)33-15-4-6-20-21(13-15)37-22-17(2-1-9-31-22)23(35)34(20)16-7-10-30-11-8-16/h1-13H,(H2,32,33,36)
Definition date:	2020-01-13
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-(5-oxidanylidene-6-pyridin-4-yl-pyrido[2,3-b][1,5]benzoxazepin-9-yl)urea

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222415

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