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5A3
5A3
Name:Methylenebisphosphonate inositol pentakisphosphate
Formula:C7 H21 O26 P7
SMILES:O=P(OC1C(C(C(C(OP(CP(O)(O)=O)(=O)O)C1OP(O)(O)=O)OP(O)(O)=O)OP(O)(O)=O)OP(O)(=O)O)(O)O
InChi:InChI=1S/C7H21O26P7/c8-34(9,10)1-35(11,12)28-2-3(29-36(13,14)15)5(31-38(19,20)21)7(33-40(25,26)27)6(32-39(22,23)24)4(2)30-37(16,17)18/h2-7H,1H2,(H,11,12)(H2,8,9,10)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)/t2-,3-,4+,5+,6-,7+
Synonyms:{[(R)-hydroxy{[(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}phosphoryl]methyl}phosphonic acid
Definition date:2015-08-28
Last modified:2020-06-17
Release date:2016-08-10
Identifier:{[(R)-hydroxy{[(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}phosphoryl]methyl}phosphonic acid
LUI
LUI
Name:2-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-1,2-dihydroisoquinolin-6-yl]oxy}acetamide
Formula:C22 H25 N3 O3
SMILES:O=C(N)COc3ccc1c(C(=C(N(C1=O)CC(C)C)CN)c2ccccc2)c3
InChi:InChI=1S/C22H25N3O3/c1-14(2)12-25-19(11-23)21(15-6-4-3-5-7-15)18-10-16(28-13-20(24)26)8-9-17(18)22(25)27/h3-10,14H,11-13,23H2,1-2H3,(H2,24,26)
Synonyms:TAK-285
Definition date:2010-09-02
Last modified:2020-06-17
Identifier:2-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-1,2-dihydroisoquinolin-6-yl]oxy}acetamide
LUJ
LUJ
Name:(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxyc yclohexyl 2-amino-2,4-dideoxy-4-propyl-alpha-D-glucopyranoside
Formula:C26 H51 N5 O13
SMILES:CCCC1C(CO)OC(C(C1O)N)OC2C(N)CC(C(C2OC3OC(CO)C(C3O)OC4OC(CN)C(O)C(O)C4N)O)N
InChi:InChI=1S/C26H51N5O13/c1-2-3-8-12(6-32)40-24(14(30)16(8)34)42-21-10(29)4-9(28)17(35)23(21)44-26-20(38)22(13(7-33)41-26)43-25-15(31)19(37)18(36)11(5-27)39-25/h8-26,32-38H,2-7,27-31H2,1H3/t8-,9-,10+,11+,12-,13-,14-,15-,16+,17+,18-,19-,20-,21-,22-,23-,24-,25-,26+/m1/s1
Synonyms:propylamycin
Definition date:2019-03-14
Last modified:2020-06-17
Release date:2019-04-17
Identifier:(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2,4-dideoxy-4-propyl-alpha-D-glucopyranoside
LUM
LUM
Name:LUMICHROME
Formula:C12 H10 N4 O2
SMILES:O=C1c2nc3c(nc2NC(=O)N1)cc(c(c3)C)C
InChi:InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)
Synonyms:7,8-DIMETHYLALLOXAZINE
Definition date:2000-11-20
Last modified:2020-06-17
Identifier:7,8-dimethylbenzo[g]pteridine-2,4(1H,3H)-dione
LUQ
LUQ
Name:N-(2-acetamido)-2-aminoethanesulfonic acid
Formula:C4 H10 N2 O4 S
SMILES:NC(=O)CNCC[S](O)(=O)=O
InChi:InChI=1S/C4H10N2O4S/c5-4(7)3-6-1-2-11(8,9)10/h6H,1-3H2,(H2,5,7)(H,8,9,10)
Synonyms:N-(Carbamoylmethyl)taurine
Definition date:2019-09-09
Last modified:2020-06-17
Release date:2019-12-18
Identifier:2-[(2-azanyl-2-oxidanylidene-ethyl)amino]ethanesulfonic acid
5B4
5B4
Name:N-(2,5-difluoro-4-{[2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxam ide
Formula:C26 H20 F3 N5 O3
SMILES:c3(c(Oc2cc(c1cn(C)nc1)ncc2)cc(c(c3)NC(C5(C(Nc4ccc(F)cc4)=O)CC5)=O)F)F
InChi:InChI=1S/C26H20F3N5O3/c1-34-14-15(13-31-34)21-10-18(6-9-30-21)37-23-12-19(28)22(11-20(23)29)33-25(36)26(7-8-26)24(35)32-17-4-2-16(27)3-5-17/h2-6,9-14H,7-8H2,1H3,(H,32,35)(H,33,36)
Synonyms:ALTIRATINIB ANALOG DP-4157
Definition date:2015-08-31
Last modified:2020-06-17
Release date:2016-08-31
Identifier:N-(2,5-difluoro-4-{[2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
5BT
5BT
Name:5-bromo-2'-deoxycytidine
Formula:C9 H12 Br N3 O4
SMILES:BrC=1C(=NC(=O)N(C=1)C2OC(C(O)C2)CO)N
InChi:InChI=1S/C9H12BrN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7+/m0/s1
Synonyms:5-bromo-2'-doxy-D-cytidine
Definition date:2011-01-25
Last modified:2020-06-17
Identifier:5-bromo-2'-deoxycytidine
5CY
5CY
Name:1-(3-hydroxypropyl)-2-{(1E,3E,5E)-5-[1-(3-hydroxypropyl)-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene]penta-1,3-dien-1-y l}-3,3-dimethyl-3H-indolium
Formula:C31 H39 N2 O2
SMILES:OCCC[N+]=2c1ccccc1C(C=2C=CC=CC=C4N(c3ccccc3C4(C)C)CCCO)(C)C
InChi:InChI=1S/C31H39N2O2/c1-30(2)24-14-8-10-16-26(24)32(20-12-22-34)28(30)18-6-5-7-19-29-31(3,4)25-15-9-11-17-27(25)33(29)21-13-23-35/h5-11,14-19,34-35H,12-13,20-23H2,1-4H3/q+1
Synonyms:N,N'-(dipropyl)-tetramethylindodicarbocyanine
Definition date:2013-04-17
Last modified:2020-06-17
Identifier:1-(3-hydroxypropyl)-2-{(1E,3E,5E)-5-[1-(3-hydroxypropyl)-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene]penta-1,3-dien-1-yl}-3,3-dimethyl-3H-indolium
LXN
LXN
Name:ALLOXAN
Formula:C4 H2 N2 O4
SMILES:O=C1C(=O)NC(=O)NC1=O
InChi:InChI=1S/C4H2N2O4/c7-1-2(8)5-4(10)6-3(1)9/h(H2,5,6,8,9,10)
Synonyms:MESOXALYLUREA
Definition date:2010-06-07
Last modified:2020-06-17
Identifier:pyrimidine-2,4,5,6(1H,3H)-tetrone
LY2
LY2
Name:2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-4-ONE
Formula:C19 H17 N O3
SMILES:O=C1C=C(Oc2c1cccc2c3ccccc3)N4CCOCC4
InChi:InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
Synonyms:2-(4-MORPHOLINYL)-8-PHENYL-4H-1-BENZOPYRAN-4-ONE
Definition date:2000-09-11
Last modified:2020-06-17
Identifier:2-morpholin-4-yl-8-phenyl-4H-chromen-4-one
LY4
LY4
Name:(9R)-9-[(DIMETHYLAMINO)METHYL]-6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-DIMETHENODIBENZO[E,K]PYRROLO[3,4-H][1,4,13]OXADIA ZACYCLOHEXADECINE-18,20-DIONE
Formula:C28 H28 N4 O3
SMILES:O=C6NC(=O)C=5c1cn(c2ccccc12)CCOC(CN(C)C)CCn4c3ccccc3c(c4)C=56
InChi:InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1
Synonyms:LY333531
Definition date:2003-12-15
Last modified:2020-06-17
Identifier:(9S)-9-[(dimethylamino)methyl]-6,7,10,11-tetrahydro-9H,18H-5,21:12,17-di(metheno)dibenzo[e,k]pyrrolo[3,4-h][1,4,13]oxadiazacyclohexadecine-18,20(19H)-dione
LY5
LY5
Name:(3S,4aR,6S,8aR)-6-{[(2S)-2-carboxy-4,4-difluoropyrrolidin-1-yl]methyl}decahydroisoquinoline-3-carboxylic acid
Formula:C16 H24 F2 N2 O4
SMILES:FC1(CN(C(C1)C(O)=O)CC2CC3C(CC2)CNC(C(O)=O)C3)F
InChi:InChI=1S/C16H24F2N2O4/c17-16(18)5-13(15(23)24)20(8-16)7-9-1-2-10-6-19-12(14(21)22)4-11(10)3-9/h9-13,19H,1-8H2,(H,21,22)(H,23,24)/t9-,10-,11+,12-,13-/m0/s1
Synonyms:LY466195
Definition date:2007-09-11
Last modified:2020-06-17
Identifier:(3S,4aR,6S,8aR)-6-{[(2S)-2-carboxy-4,4-difluoropyrrolidin-1-yl]methyl}decahydroisoquinoline-3-carboxylic acid
LYB
LYB
Name:2-{4-[4-(4-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-4-CARBOXY-BUTYRYLAMIN O)-4-CARBOXY-BUTYRYLAMINO}-PENTANEDIOIC ACID
Formula:C35 H42 N8 O15
SMILES:O=C(O)C(NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)CCc2cnc3N=C(NC(=O)c23)N)CCC(=O)O
InChi:InChI=1S/C35H42N8O15/c36-35-42-28-27(30(50)43-35)18(15-37-28)6-3-16-1-4-17(5-2-16)29(49)41-22(34(57)58)9-13-25(46)39-20(32(53)54)7-11-23(44)38-19(31(51)52)8-12-24(45)40-21(33(55)56)10-14-26(47)48/h1-2,4-5,15,19-22H,3,6-14H2,(H,38,44)(H,39,46)(H,40,45)(H,41,49)(H,47,48)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H4,36,37,42,43,50)/t19-,20-,21?,22-/m0/s1
Synonyms:LY231514 TETRA GLU
Definition date:2001-08-27
Last modified:2020-06-17
Identifier:N-({4-[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl}carbonyl)-L-gamma-glutamyl-L-gamma-glutamyl-L-gamma-glutamylglutamic acid
LYD
LYD
Name:2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-3-METHYL-BUTYRIC ACID
Formula:C20 H23 N5 O4
SMILES:O=C(O)C(NC(=O)c1ccc(cc1)CCc2cnc3N=C(NC(=O)c23)N)C(C)C
InChi:InChI=1S/C20H23N5O4/c1-10(2)15(19(28)29)23-17(26)12-6-3-11(4-7-12)5-8-13-9-22-16-14(13)18(27)25-20(21)24-16/h3-4,6-7,9-10,15H,5,8H2,1-2H3,(H,23,26)(H,28,29)(H4,21,22,24,25,27)/t15-/m0/s1
Synonyms:LY338529
Definition date:2001-09-05
Last modified:2020-06-17
Identifier:N-({4-[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl}carbonyl)-L-valine
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
5FC
5FC
Name:5-FORMYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE
Formula:C10 H14 N3 O8 P
SMILES:O=CC=1C(=NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O)N
InChi:InChI=1S/C10H14N3O8P/c11-9-5(3-14)2-13(10(16)12-9)8-1-6(15)7(21-8)4-20-22(17,18)19/h2-3,6-8,15H,1,4H2,(H2,11,12,16)(H2,17,18,19)/t6-,7+,8+/m0/s1
Synonyms:2'-DEOXY-5-FORMYLCYTIDINE-5'-MONOPHOSPHATE
Definition date:2004-04-06
Last modified:2020-06-17
Identifier:2'-deoxy-5-formylcytidine 5'-(dihydrogen phosphate)
LZU
LZU
Name:10-{2-[(2S)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine
Formula:C21 H26 N2 S2
SMILES:S(c2cc1N(c3c(Sc1cc2)cccc3)CCC4N(C)CCCC4)C
InChi:InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3/t16-/m0/s1
Synonyms:Thioridazine
Definition date:2012-11-27
Last modified:2020-06-17
Release date:2013-08-28
Identifier:10-{2-[(2S)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine
LZZ
LZZ
Name:(3alpha,8alpha)-3,17-dihydroxypregn-5-en-20-one
Formula:C21 H32 O3
SMILES:O=C(C4(O)C3(C(C1C(C2(C(=CC1)CC(O)CC2)C)CC3)CC4)C)C
InChi:InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1
Synonyms:17-Hydroxypregnenolone
Definition date:2013-11-15
Last modified:2020-06-17
Release date:2014-10-22
Identifier:(3alpha,8alpha)-3,17-dihydroxypregn-5-en-20-one
5FR
5FR
Name:4-({1-[3-(3-amino-3-oxopropyl)-5-chlorophenyl]-3-methyl-1H-pyrazolo[4,3-c]pyridin-6-yl}amino)-3-methoxy-N-(1-methylpipe ridin-4-yl)benzamide
Formula:C30 H34 Cl N7 O3
SMILES:O=C(N)CCc1cc(cc(Cl)c1)n5nc(c2c5cc(nc2)Nc4ccc(C(=O)NC3CCN(C)CC3)cc4OC)C
InChi:InChI=1S/C30H34ClN7O3/c1-18-24-17-33-29(16-26(24)38(36-18)23-13-19(4-7-28(32)39)12-21(31)15-23)35-25-6-5-20(14-27(25)41-3)30(40)34-22-8-10-37(2)11-9-22/h5-6,12-17,22H,4,7-11H2,1-3H3,(H2,32,39)(H,33,35)(H,34,40)
Synonyms:4-{1-[3-(2-carbamoyl-ethyl)-5-chloro-phenyl]-3-methyl-1H-pyrazolo[4,3-c]pyridin-6-ylamino}-3-methoxy-N-(1-methyl-piperi din-4-yl)-benzamide
Definition date:2008-06-16
Last modified:2020-06-17
Identifier:4-({1-[3-(3-amino-3-oxopropyl)-5-chlorophenyl]-3-methyl-1H-pyrazolo[4,3-c]pyridin-6-yl}amino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
5G9
5G9
Name:4-(3-chlorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
Formula:C17 H11 Cl N4 S
SMILES:n1c(ccc2ncccc12)c4c(c3cc(Cl)ccc3)nc(N)s4
InChi:InChI=1S/C17H11ClN4S/c18-11-4-1-3-10(9-11)15-16(23-17(19)22-15)14-7-6-12-13(21-14)5-2-8-20-12/h1-9H,(H2,19,22)
Synonyms:GW780159X
Definition date:2015-09-22
Last modified:2020-06-17
Release date:2015-09-30
Identifier:4-(3-chlorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
M0N
M0N
Name:(1-HYDROXY-2-IMIDAZO[1,2-A]PYRIDIN-3-YLETHANE-1,1-DIYL)BIS(PHOSPHONIC ACID)
Formula:C9 H12 N2 O7 P2
SMILES:O=P(O)(O)C(O)(P(=O)(O)O)Cc1cnc2ccccn12
InChi:InChI=1S/C9H12N2O7P2/c12-9(19(13,14)15,20(16,17)18)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18)
Synonyms:MINODRONATE
Definition date:2005-11-10
Last modified:2020-06-17
Identifier:(1-hydroxy-2-imidazo[1,2-a]pyridin-3-ylethane-1,1-diyl)bis(phosphonic acid)
M14
M14
Name:2-[3-chloro-5-(3-chloro-5-cyanophenoxy)phenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide
Formula:C21 H14 Cl3 N3 O5 S
SMILES:Clc3cc(ccc3NC(=O)COc2cc(Oc1cc(C#N)cc(Cl)c1)cc(Cl)c2)S(=O)(=O)N
InChi:InChI=1S/C21H14Cl3N3O5S/c22-13-3-12(10-25)4-16(6-13)32-17-7-14(23)5-15(8-17)31-11-21(28)27-20-2-1-18(9-19(20)24)33(26,29)30/h1-9H,11H2,(H,27,28)(H2,26,29,30)
Synonyms:N-[4-(aminosulfonyl)-2-chlorophenyl]-2-[3-chloro-5-(3-chloro-5-cyanophenoxy)phenoxy]acetamide
Definition date:2008-02-07
Last modified:2020-06-17
Identifier:2-[3-chloro-5-(3-chloro-5-cyanophenoxy)phenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide
5H5
5H5
Name:(2S)-2-({2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}oxy)propanamide
Formula:C19 H22 N6 O3
SMILES:C(=O)(C(C)Oc4ccc3c1n(cc(n1)c2n(C(C)C)ncn2)CCOc3c4)N
InChi:InChI=1S/C19H22N6O3/c1-11(2)25-19(21-10-22-25)15-9-24-6-7-27-16-8-13(28-12(3)17(20)26)4-5-14(16)18(24)23-15/h4-5,8-12H,6-7H2,1-3H3,(H2,20,26)/t12-/m0/s1
Synonyms:GDC-0326
Definition date:2015-09-24
Last modified:2020-06-17
Release date:2016-01-27
Identifier:(2S)-2-({2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}oxy)propanamide
5HM
5HM
Name:5-(hydroxymethyl)cytidine 5'-(dihydrogen phosphate)
Formula:C10 H16 N3 O9 P
SMILES:O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C(=C1)CO)C(O)C2O
InChi:InChI=1S/C10H16N3O9P/c11-8-4(2-14)1-13(10(17)12-8)9-7(16)6(15)5(22-9)3-21-23(18,19)20/h1,5-7,9,14-16H,2-3H2,(H2,11,12,17)(H2,18,19,20)/t5-,6-,7-,9-/m1/s1
Synonyms:5-hydroxymethylcytidine 5'-monophosphate
Definition date:2014-01-22
Last modified:2020-06-17
Release date:2014-06-25
Identifier:5-(hydroxymethyl)cytidine 5'-(dihydrogen phosphate)
5HN
5HN
Name:5-hydroxypyridine-3-carboxylic acid
Formula:C6 H5 N O3
SMILES:O=C(O)c1cncc(O)c1
InChi:InChI=1S/C6H5NO3/c8-5-1-4(6(9)10)2-7-3-5/h1-3,8H,(H,9,10)
Synonyms:5-Hydroxynicotinic Acid
Definition date:2012-10-01
Last modified:2020-06-17
Release date:2013-09-18
Identifier:5-hydroxypyridine-3-carboxylic acid

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