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K3H
K3H
Name:(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-methyl-amino]methyl]oxolane-3,4-diol
Formula:C24 H29 N11 O7
SMILES:CN(CC#Cc1nc2c(N)ncnc2n1[CH]3O[CH](CO)[CH](O)[CH]3O)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56
InChi:InChI=1S/C24H29N11O7/c1-33(5-10-15(37)17(39)23(41-10)34-9-31-13-19(25)27-7-29-21(13)34)4-2-3-12-32-14-20(26)28-8-30-22(14)35(12)24-18(40)16(38)11(6-36)42-24/h7-11,15-18,23-24,36-40H,4-6H2,1H3,(H2,25,27,29)(H2,26,28,30)/t10-,11-,15-,16-,17-,18-,23-,24-/m1/s1
Definition date:2019-04-16
Last modified:2020-02-14
Release date:2020-02-19
Identifier:(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-methyl-amino]methyl]oxolane-3,4-diol
K3K
K3K
Name:(2~{R},3~{R},4~{S},5~{R})-2-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Formula:C23 H26 N10 O8
SMILES:Nc1ncnc2n(cnc12)[CH]3O[CH](COCC#Cc4nc5c(N)ncnc5n4[CH]6O[CH](CO)[CH](O)[CH]6O)[CH](O)[CH]3O
InChi:InChI=1S/C23H26N10O8/c24-18-12-20(28-6-26-18)32(8-30-12)22-16(37)15(36)10(41-22)5-39-3-1-2-11-31-13-19(25)27-7-29-21(13)33(11)23-17(38)14(35)9(4-34)40-23/h6-10,14-17,22-23,34-38H,3-5H2,(H2,24,26,28)(H2,25,27,29)/t9-,10-,14-,15-,16-,17-,22-,23-/m1/s1
Definition date:2019-04-16
Last modified:2020-02-14
Release date:2020-02-19
Identifier:(2~{R},3~{R},4~{S},5~{R})-2-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SDB
SDB
Name:(4S)-2-[(1S)-1-amino-2-hydroxyethyl]-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid
Formula:C7 H13 N3 O3
SMILES:O=C(O)C1NC(=NCC1)C(N)CO
InChi:InChI=1S/C7H13N3O3/c8-4(3-11)6-9-2-1-5(10-6)7(12)13/h4-5,11H,1-3,8H2,(H,9,10)(H,12,13)/t4-,5+/m1/s1
Definition date:2008-12-20
Last modified:2020-02-14
Identifier:(4S)-2-[(1S)-1-amino-2-hydroxyethyl]-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid
J6B
J6B
Name:~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-azanyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-fluoranyl-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide
Formula:C27 H37 F N6 O4 S
SMILES:CC(C)C[CH](NC(=O)c1ccc(c(F)c1)c2csc(n2)N3CCN(C)CC3)C(=O)N4C[CH](N)[CH]5OC[CH](O)[CH]45
InChi:InChI=1S/C27H37FN6O4S/c1-15(2)10-20(26(37)34-12-19(29)24-23(34)22(35)13-38-24)30-25(36)16-4-5-17(18(28)11-16)21-14-39-27(31-21)33-8-6-32(3)7-9-33/h4-5,11,14-15,19-20,22-24,35H,6-10,12-13,29H2,1-3H3,(H,30,36)/t19-,20+,22+,23-,24-/m1/s1
Definition date:2019-02-01
Last modified:2020-02-14
Release date:2020-02-19
Identifier:~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-azanyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-fluoranyl-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide
KF5
KF5
Name:9-[(2~{S})-oxan-2-yl]purin-6-amine
Formula:C10 H13 N5 O
SMILES:Nc1ncnc2n(cnc12)[CH]3CCCCO3
InChi:InChI=1S/C10H13N5O/c11-9-8-10(13-5-12-9)15(6-14-8)7-3-1-2-4-16-7/h5-7H,1-4H2,(H2,11,12,13)/t7-/m0/s1
Definition date:2019-05-17
Last modified:2020-02-14
Release date:2020-02-19
Identifier:9-[(2~{S})-oxan-2-yl]purin-6-amine
KUQ
KUQ
Name:(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-phenyl-1~{H}-imidazol-4-yl)oxane-3,4,5-triol
Formula:C15 H18 N2 O5
SMILES:OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2c[nH]c(n2)c3ccccc3
InChi:InChI=1S/C15H18N2O5/c18-7-10-11(19)12(20)13(21)14(22-10)9-6-16-15(17-9)8-4-2-1-3-5-8/h1-6,10-14,18-21H,7H2,(H,16,17)/t10-,11-,12+,13-,14+/m1/s1
Definition date:2019-06-28
Last modified:2020-02-14
Release date:2020-02-19
Identifier:(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-phenyl-1~{H}-imidazol-4-yl)oxane-3,4,5-triol
KV5
KV5
Name:(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-naphthalen-2-yl-1~{H}-imidazol-4-yl)oxane-3,4,5-triol
Formula:C19 H20 N2 O5
SMILES:OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2c[nH]c(n2)c3ccc4ccccc4c3
InChi:InChI=1S/C19H20N2O5/c22-9-14-15(23)16(24)17(25)18(26-14)13-8-20-19(21-13)12-6-5-10-3-1-2-4-11(10)7-12/h1-8,14-18,22-25H,9H2,(H,20,21)/t14-,15-,16+,17-,18+/m1/s1
Definition date:2019-06-29
Last modified:2020-02-14
Release date:2020-02-19
Identifier:(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-naphthalen-2-yl-1~{H}-imidazol-4-yl)oxane-3,4,5-triol
KVE
KVE
Name:(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(4-naphthalen-2-yl-1,3-thiazol-2-yl)oxane-3,4,5-triol
Formula:C19 H19 N O5 S
SMILES:OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2scc(n2)c3ccc4ccccc4c3
InChi:InChI=1S/C19H19NO5S/c21-8-14-15(22)16(23)17(24)18(25-14)19-20-13(9-26-19)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,9,14-18,21-24H,8H2/t14-,15-,16+,17-,18-/m1/s1
Definition date:2019-06-29
Last modified:2020-02-14
Release date:2020-02-19
Identifier:(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(4-naphthalen-2-yl-1,3-thiazol-2-yl)oxane-3,4,5-triol
KVH
KVH
Name:(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-naphthalen-2-yl-1,3-thiazol-4-yl)oxane-3,4,5-triol
Formula:C19 H19 N O5 S
SMILES:OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2csc(n2)c3ccc4ccccc4c3
InChi:InChI=1S/C19H19NO5S/c21-8-14-15(22)16(23)17(24)18(25-14)13-9-26-19(20-13)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,9,14-18,21-24H,8H2/t14-,15-,16+,17-,18+/m1/s1
Definition date:2019-06-29
Last modified:2020-02-14
Release date:2020-02-19
Identifier:(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-naphthalen-2-yl-1,3-thiazol-4-yl)oxane-3,4,5-triol
KVN
KVN
Name:(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(5-phenyl-1,2,3,4-tetrazol-2-yl)oxane-3,4,5-triol
Formula:C13 H16 N4 O5
SMILES:OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)n2nnc(n2)c3ccccc3
InChi:InChI=1S/C13H16N4O5/c18-6-8-9(19)10(20)11(21)13(22-8)17-15-12(14-16-17)7-4-2-1-3-5-7/h1-5,8-11,13,18-21H,6H2/t8-,9-,10+,11-,13-/m1/s1
Definition date:2019-07-01
Last modified:2020-02-14
Release date:2020-02-19
Identifier:(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(5-phenyl-1,2,3,4-tetrazol-2-yl)oxane-3,4,5-triol
KVQ
KVQ
Name:(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-phenyl-1,3-thiazol-4-yl)oxane-3,4,5-triol
Formula:C15 H17 N O5 S
SMILES:OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2csc(n2)c3ccccc3
InChi:InChI=1S/C15H17NO5S/c17-6-10-11(18)12(19)13(20)14(21-10)9-7-22-15(16-9)8-4-2-1-3-5-8/h1-5,7,10-14,17-20H,6H2/t10-,11-,12+,13-,14+/m1/s1
Definition date:2019-07-01
Last modified:2020-02-14
Release date:2020-02-19
Identifier:(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-phenyl-1,3-thiazol-4-yl)oxane-3,4,5-triol
KVW
KVW
Name:(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(4-phenyl-1,3-thiazol-2-yl)oxane-3,4,5-triol
Formula:C15 H17 N O5 S
SMILES:OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2scc(n2)c3ccccc3
InChi:InChI=1S/C15H17NO5S/c17-6-10-11(18)12(19)13(20)14(21-10)15-16-9(7-22-15)8-4-2-1-3-5-8/h1-5,7,10-14,17-20H,6H2/t10-,11-,12+,13-,14-/m1/s1
Definition date:2019-07-01
Last modified:2020-02-14
Release date:2020-02-19
Identifier:(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(4-phenyl-1,3-thiazol-2-yl)oxane-3,4,5-triol
JPH
JPH
Name:2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3-triazol-1-yl]ethyl]-6-methyl-1~{H}-pyrimidin-4-one
Formula:C17 H17 N5 O3
SMILES:CC1=CC(=O)N=C(CCn2cc(nn2)c3ccc4OCCOc4c3)N1
InChi:InChI=1S/C17H17N5O3/c1-11-8-17(23)19-16(18-11)4-5-22-10-13(20-21-22)12-2-3-14-15(9-12)25-7-6-24-14/h2-3,8-10H,4-7H2,1H3,(H,18,19,23)
Definition date:2019-03-14
Last modified:2020-02-14
Release date:2020-02-19
Identifier:2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3-triazol-1-yl]ethyl]-6-methyl-1~{H}-pyrimidin-4-one
JPK
JPK
Name:2-(3-methylphenyl)-~{N}-[[2-(oxan-4-yl)-7-oxidanyl-pyrazolo[1,5-a]pyrimidin-5-yl]methyl]ethanamide
Formula:C21 H24 N4 O3
SMILES:Cc1cccc(CC(=O)NCc2cc(O)n3nc(cc3n2)C4CCOCC4)c1
InChi:InChI=1S/C21H24N4O3/c1-14-3-2-4-15(9-14)10-20(26)22-13-17-11-21(27)25-19(23-17)12-18(24-25)16-5-7-28-8-6-16/h2-4,9,11-12,16,27H,5-8,10,13H2,1H3,(H,22,26)
Definition date:2019-03-15
Last modified:2020-02-14
Release date:2020-02-19
Identifier:2-(3-methylphenyl)-~{N}-[[2-(oxan-4-yl)-7-oxidanyl-pyrazolo[1,5-a]pyrimidin-5-yl]methyl]ethanamide
LCT
LCT
Name:N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide
Formula:C10 H8 N4 O3 S
SMILES:O=C(Nc1nnc(s1)c2ccc([N+]([O-])=O)cc2)C
InChi:InChI=1S/C10H8N4O3S/c1-6(15)11-10-13-12-9(18-10)7-2-4-8(5-3-7)14(16)17/h2-5H,1H3,(H,11,13,15)
Definition date:2013-07-24
Last modified:2020-02-14
Release date:2014-11-05
Identifier:N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide
LEB
LEB
Name:1-[7-bromanyl-9-[2,2,2-tris(fluoranyl)ethyl]carbazol-3-yl]-~{N}-methyl-methanamine
Formula:C16 H14 Br F3 N2
SMILES:CNCc1ccc2n(CC(F)(F)F)c3cc(Br)ccc3c2c1
InChi:InChI=1S/C16H14BrF3N2/c1-21-8-10-2-5-14-13(6-10)12-4-3-11(17)7-15(12)22(14)9-16(18,19)20/h2-7,21H,8-9H2,1H3
Definition date:2019-08-09
Last modified:2020-02-14
Release date:2020-02-19
Identifier:1-[7-bromanyl-9-[2,2,2-tris(fluoranyl)ethyl]carbazol-3-yl]-~{N}-methyl-methanamine
LEK
LEK
Name:1-[9-ethyl-7-(1,3-thiazol-4-yl)carbazol-3-yl]-~{N}-methyl-methanamine
Formula:C19 H19 N3 S
SMILES:CCn1c2ccc(CNC)cc2c3ccc(cc13)c4cscn4
InChi:InChI=1S/C19H19N3S/c1-3-22-18-7-4-13(10-20-2)8-16(18)15-6-5-14(9-19(15)22)17-11-23-12-21-17/h4-9,11-12,20H,3,10H2,1-2H3
Definition date:2019-08-09
Last modified:2020-02-14
Release date:2020-02-19
Identifier:1-[9-ethyl-7-(1,3-thiazol-4-yl)carbazol-3-yl]-~{N}-methyl-methanamine
LHH
LHH
Name:[(2~{R},3~{R},4~{R},5~{R})-5-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
Formula:C12 H18 N3 O9 P
SMILES:CO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=NC2=O)NC(C)=O
InChi:InChI=1S/C12H18N3O9P/c1-6(16)13-8-3-4-15(12(18)14-8)11-10(22-2)9(17)7(24-11)5-23-25(19,20)21/h3-4,7,9-11,17H,5H2,1-2H3,(H2,19,20,21)(H,13,14,16,18)/t7-,9-,10-,11-/m1/s1
Definition date:2019-08-15
Last modified:2020-02-14
Release date:2020-02-19
Identifier:[(2~{R},3~{R},4~{R},5~{R})-5-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
LSE
LSE
Name:2-(trimethylsilyl)ethyl 4-O-beta-D-galactopyranosyl-6-Se-methyl-6-seleno-beta-D-glucopyranoside
Formula:C18 H36 O10 Se Si
SMILES:O(C1C(OC(OCC[Si](C)(C)C)C(O)C1O)C[Se]C)C2OC(C(O)C(O)C2O)CO
InChi:InChI=1S/C18H36O10SeSi/c1-29-8-10-16(28-18-14(23)12(21)11(20)9(7-19)26-18)13(22)15(24)17(27-10)25-5-6-30(2,3)4/h9-24H,5-8H2,1-4H3/t9-,10-,11+,12+,13-,14-,15-,16-,17-,18+/m1/s1
Definition date:2013-12-03
Last modified:2020-02-14
Release date:2014-11-05
Identifier:2-(trimethylsilyl)ethyl 4-O-beta-D-galactopyranosyl-6-Se-methyl-6-seleno-beta-D-glucopyranoside
MJY
MJY
Name:4-bromo-N-{(2S)-1-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]propan-2-yl}benzamide
Formula:C23 H26 Br F N4 O2
SMILES:C4N(CC(C)NC(c1ccc(cc1)Br)=O)CCC3(C(NCN3c2cccc(c2)F)=O)C4
InChi:InChI=1S/C23H26BrFN4O2/c1-16(27-21(30)17-5-7-18(24)8-6-17)14-28-11-9-23(10-12-28)22(31)26-15-29(23)20-4-2-3-19(25)13-20/h2-8,13,16H,9-12,14-15H2,1H3,(H,26,31)(H,27,30)/t16-/m0/s1
Definition date:2019-04-08
Last modified:2020-02-14
Release date:2020-02-19
Identifier:4-bromo-N-{(2S)-1-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]propan-2-yl}benzamide
MKA
MKA
Name:4-fluoro-N-{(2S)-1-[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl}benzamide
Formula:C22 H25 F N4 O2
SMILES:c4ccc3c(N(C2CCN(CC(C)NC(=O)c1ccc(cc1)F)CC2)C(=O)N3)c4
InChi:InChI=1S/C22H25FN4O2/c1-15(24-21(28)16-6-8-17(23)9-7-16)14-26-12-10-18(11-13-26)27-20-5-3-2-4-19(20)25-22(27)29/h2-9,15,18H,10-14H2,1H3,(H,24,28)(H,25,29)/t15-/m0/s1
Definition date:2019-04-08
Last modified:2020-02-14
Release date:2020-02-19
Identifier:4-fluoro-N-{(2S)-1-[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl}benzamide
MKW
MKW
Name:1-[(7R)-16-chloro-15-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-5-yl]prop-2-en-1-one
Formula:C25 H24 Cl N5 O2
SMILES:CCC(=O)N1CCN2[CH](COc3cnc4cc(c(Cl)cc4c23)c5c(C)ccc6n[nH]cc56)C1
InChi:InChI=1S/C25H24ClN5O2/c1-3-23(32)30-6-7-31-15(12-30)13-33-22-11-27-21-9-16(19(26)8-17(21)25(22)31)24-14(2)4-5-20-18(24)10-28-29-20/h4-5,8-11,15H,3,6-7,12-13H2,1-2H3,(H,28,29)/t15-/m1/s1
Definition date:2019-10-17
Last modified:2020-02-14
Release date:2020-02-19
NO9
NO9
Name:2,5-dimethyl-4-sulfamoyl-furan-3-carboxylic acid
Formula:C7 H9 N O5 S
SMILES:Cc1oc(C)c(c1C(O)=O)[S](N)(=O)=O
InChi:InChI=1S/C7H9NO5S/c1-3-5(7(9)10)6(4(2)13-3)14(8,11)12/h1-2H3,(H,9,10)(H2,8,11,12)
Definition date:2018-03-19
Last modified:2020-02-14
Release date:2020-02-19
Identifier:2,5-dimethyl-4-sulfamoyl-furan-3-carboxylic acid
NUQ
NUQ
Name:5-[5-(4-fluorophenyl)-1~{H}-imidazol-4-yl]-1-methyl-pyridin-2-one
Formula:C15 H12 F N3 O
SMILES:CN1C=C(C=CC1=O)c2nc[nH]c2c3ccc(F)cc3
InChi:InChI=1S/C15H12FN3O/c1-19-8-11(4-7-13(19)20)15-14(17-9-18-15)10-2-5-12(16)6-3-10/h2-9H,1H3,(H,17,18)
Definition date:2019-12-16
Last modified:2020-02-14
Release date:2020-02-19
Identifier:5-[5-(4-fluorophenyl)-1~{H}-imidazol-4-yl]-1-methyl-pyridin-2-one
NYW
NYW
Name:[[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
Formula:C11 H18 N6 O9 P2
SMILES:Nc1nc(N)c2ncn([CH]3O[CH](CO[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]3O)c2n1
InChi:InChI=1S/C11H18N6O9P2/c12-8-5-9(16-11(13)15-8)17(2-14-5)10-7(19)6(18)4(26-10)1-25-28(23,24)3-27(20,21)22/h2,4,6-7,10,18-19H,1,3H2,(H,23,24)(H2,20,21,22)(H4,12,13,15,16)/t4-,6-,7-,10-/m1/s1
Definition date:2020-01-13
Last modified:2020-02-14
Release date:2020-02-19
Identifier:[[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid

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