CAS RN: 3870-15-3
CAS Name: 2-[(4-fluorophenyl)-oxomethyl]-1-naphthalenecarboxylic acid
OPENEYE Name: 2-(4-fluorobenzoyl)naphthalene-1-carboxylic acid
IUPAC Name: 2-(4-fluorobenzoyl)naphthalene-1-carboxylic acid
SYSTEMATIC NAME: 2-(4-fluorophenyl)carbonylnaphthalene-1-carboxylic acid
MOLECULAR FORMULA: C18H11FO3
MOLECULAR WEIGHT: 294.276543
SMILES: C1=CC=C2C(=C1)C=CC(=C2C(=O)O)C(=O)C3=CC=C(C=C3)F
Structure:
CAS RN: 3799-81-3
CAS Name: 2-benzoyl-7-fluoro-1-naphthalenecarboxylic acid
OPENEYE Name: 2-benzoyl-7-fluoro-naphthalene-1-carboxylic acid
IUPAC Name: 2-benzoyl-7-fluoronaphthalene-1-carboxylic acid
SYSTEMATIC NAME: 7-fluoranyl-2-(phenylcarbonyl)naphthalene-1-carboxylic acid
MOLECULAR FORMULA: C18H11FO3
MOLECULAR WEIGHT: 294.276543
SMILES: C1=CC=C(C=C1)C(=O)C2=C(C3=C(C=CC(=C3)F)C=C2)C(=O)O
Structure:
CAS RN: 63345-58-4
CAS Name: 9-chloro-4,5-dimethylacridine
OPENEYE Name: 9-chloro-4,5-dimethyl-acridine
IUPAC Name: 9-chloro-4,5-dimethylacridine
SYSTEMATIC NAME: 9-chloranyl-4,5-dimethyl-acridine
MOLECULAR FORMULA: C15H12ClN
MOLECULAR WEIGHT: 241.71548
SMILES: CC1=CC=CC2=C1N=C3C(=CC=CC3=C2Cl)C
Structure:
CAS RN: 92153-17-8
CAS Name: (3,4-dichlorophenyl)-(2-hydroxy-5-methylphenyl)methanone
OPENEYE Name: (3,4-dichlorophenyl)-(2-hydroxy-5-methyl-phenyl)methanone
IUPAC Name: (3,4-dichlorophenyl)-(2-hydroxy-5-methylphenyl)methanone
SYSTEMATIC NAME: (3,4-dichlorophenyl)-(5-methyl-2-oxidanyl-phenyl)methanone
MOLECULAR FORMULA: C14H10Cl2O2
MOLECULAR WEIGHT: 281.134
SMILES: CC1=CC(=C(C=C1)O)C(=O)C2=CC(=C(C=C2)Cl)Cl
Structure:
CAS RN: 17033-70-4
CAS Name: 5-methylbenzo[c]phenanthrene; 2,4,7-trinitro-9-fluorenone
OPENEYE Name: 5-methylbenzo[c]phenanthrene; 2,4,7-trinitrofluoren-9-one
IUPAC Name: 5-methylbenzo[c]phenanthrene; 2,4,7-trinitrofluoren-9-one
SYSTEMATIC NAME: 5-methylbenzo[c]phenanthrene; 2,4,7-trinitrofluoren-9-one
MOLECULAR FORMULA: C32H19N3O7
MOLECULAR WEIGHT: 557.50916
SMILES: CC1=CC2=C(C3=CC=CC=C3C=C2)C4=CC=CC=C14.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 17033-69-1
CAS Name: 4-methylbenzo[c]phenanthrene; 2,4,7-trinitro-9-fluorenone
OPENEYE Name: 4-methylbenzo[c]phenanthrene; 2,4,7-trinitrofluoren-9-one
IUPAC Name: 4-methylbenzo[c]phenanthrene; 2,4,7-trinitrofluoren-9-one
SYSTEMATIC NAME: 4-methylbenzo[c]phenanthrene; 2,4,7-trinitrofluoren-9-one
MOLECULAR FORMULA: C32H19N3O7
MOLECULAR WEIGHT: 557.50916
SMILES: CC1=CC=CC2=C1C=CC3=C2C4=CC=CC=C4C=C3.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 7509-84-4
CAS Name: 3-methylbenzo[c]phenanthrene; 2,4,7-trinitro-9-fluorenone
OPENEYE Name: 3-methylbenzo[c]phenanthrene; 2,4,7-trinitrofluoren-9-one
IUPAC Name: 3-methylbenzo[c]phenanthrene; 2,4,7-trinitrofluoren-9-one
SYSTEMATIC NAME: 3-methylbenzo[c]phenanthrene; 2,4,7-trinitrofluoren-9-one
MOLECULAR FORMULA: C32H19N3O7
MOLECULAR WEIGHT: 557.50916
SMILES: CC1=CC2=C(C=C1)C3=C(C=CC4=CC=CC=C43)C=C2.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 17033-68-0
CAS Name: 2-methylbenzo[c]phenanthrene; 2,4,7-trinitro-9-fluorenone
OPENEYE Name: 2-methylbenzo[c]phenanthrene; 2,4,7-trinitrofluoren-9-one
IUPAC Name: 2-methylbenzo[c]phenanthrene; 2,4,7-trinitrofluoren-9-one
SYSTEMATIC NAME: 2-methylbenzo[c]phenanthrene; 2,4,7-trinitrofluoren-9-one
MOLECULAR FORMULA: C32H19N3O7
MOLECULAR WEIGHT: 557.50916
SMILES: CC1=CC2=C(C=C1)C=CC3=C2C4=CC=CC=C4C=C3.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 7509-83-3
CAS Name: 4-methylbenzo[a]anthracene; 2,4,7-trinitro-9-fluorenone
OPENEYE Name: 4-methylbenzo[a]anthracene; 2,4,7-trinitrofluoren-9-one
IUPAC Name: 4-methylbenzo[a]anthracene; 2,4,7-trinitrofluoren-9-one
SYSTEMATIC NAME: 4-methylbenzo[a]anthracene; 2,4,7-trinitrofluoren-9-one
MOLECULAR FORMULA: C32H19N3O7
MOLECULAR WEIGHT: 557.50916
SMILES: CC1=CC=CC2=C1C=CC3=CC4=CC=CC=C4C=C32.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 7509-82-2
CAS Name: 2-methylbenzo[a]anthracene; 2,4,7-trinitro-9-fluorenone
OPENEYE Name: 2-methylbenzo[a]anthracene; 2,4,7-trinitrofluoren-9-one
IUPAC Name: 2-methylbenzo[a]anthracene; 2,4,7-trinitrofluoren-9-one
SYSTEMATIC NAME: 2-methylbenzo[a]anthracene; 2,4,7-trinitrofluoren-9-one
MOLECULAR FORMULA: C32H19N3O7
MOLECULAR WEIGHT: 557.50916
SMILES: CC1=CC2=C(C=C1)C=CC3=CC4=CC=CC=C4C=C32.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 7509-81-1
CAS Name: 7-methylbenzo[a]anthracene; 2,4,7-trinitro-9-fluorenone
OPENEYE Name: 7-methylbenzo[a]anthracene; 2,4,7-trinitrofluoren-9-one
IUPAC Name: 7-methylbenzo[a]anthracene; 2,4,7-trinitrofluoren-9-one
SYSTEMATIC NAME: 7-methylbenzo[a]anthracene; 2,4,7-trinitrofluoren-9-one
MOLECULAR FORMULA: C32H19N3O7
MOLECULAR WEIGHT: 557.50916
SMILES: CC1=C2C=CC3=CC=CC=C3C2=CC4=CC=CC=C14.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 7509-80-0
CAS Name: 11-methylbenzo[a]anthracene; 2,4,7-trinitro-9-fluorenone
OPENEYE Name: 11-methylbenzo[a]anthracene; 2,4,7-trinitrofluoren-9-one
IUPAC Name: 11-methylbenzo[a]anthracene; 2,4,7-trinitrofluoren-9-one
SYSTEMATIC NAME: 11-methylbenzo[a]anthracene; 2,4,7-trinitrofluoren-9-one
MOLECULAR FORMULA: C32H19N3O7
MOLECULAR WEIGHT: 557.50916
SMILES: CC1=CC=CC2=CC3=C(C=C12)C4=CC=CC=C4C=C3.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 7509-79-7
CAS Name: 8-methylbenzo[a]anthracene; 2,4,7-trinitro-9-fluorenone
OPENEYE Name: 8-methylbenzo[a]anthracene; 2,4,7-trinitrofluoren-9-one
IUPAC Name: 8-methylbenzo[a]anthracene; 2,4,7-trinitrofluoren-9-one
SYSTEMATIC NAME: 8-methylbenzo[a]anthracene; 2,4,7-trinitrofluoren-9-one
MOLECULAR FORMULA: C32H19N3O7
MOLECULAR WEIGHT: 557.50916
SMILES: CC1=CC=CC2=CC3=C(C=CC4=CC=CC=C43)C=C12.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 7596-11-4
CAS Name: 5-methylbenzo[a]anthracene; 2,4,7-trinitro-9-fluorenone
OPENEYE Name: 5-methylbenzo[a]anthracene; 2,4,7-trinitrofluoren-9-one
IUPAC Name: 5-methylbenzo[a]anthracene; 2,4,7-trinitrofluoren-9-one
SYSTEMATIC NAME: 5-methylbenzo[a]anthracene; 2,4,7-trinitrofluoren-9-one
MOLECULAR FORMULA: C32H19N3O7
MOLECULAR WEIGHT: 557.50916
SMILES: CC1=CC2=CC3=CC=CC=C3C=C2C4=CC=CC=C14.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 4435-67-0
CAS Name: 2-[3,5-bis(carboxymethyl)phenyl]acetic acid
OPENEYE Name: 2-[3,5-bis(carboxymethyl)phenyl]acetic acid
IUPAC Name: 2-[3,5-bis(carboxymethyl)phenyl]acetic acid
SYSTEMATIC NAME: 2-[3,5-bis(2-hydroxy-2-oxoethyl)phenyl]ethanoic acid
MOLECULAR FORMULA: C12H12O6
MOLECULAR WEIGHT: 252.22008
SMILES: C1=C(C=C(C=C1CC(=O)O)CC(=O)O)CC(=O)O
Structure:
CAS RN: 35283-08-0
CAS Name: 3-(4-nitrophenyl)-2-propynoic acid ethyl ester
OPENEYE Name: ethyl 3-(4-nitrophenyl)prop-2-ynoate
IUPAC Name: ethyl 3-(4-nitrophenyl)prop-2-ynoate
SYSTEMATIC NAME: ethyl 3-(4-nitrophenyl)prop-2-ynoate
MOLECULAR FORMULA: C11H9NO4
MOLECULAR WEIGHT: 219.19346
SMILES: CCOC(=O)C#CC1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 7621-89-8
CAS Name: 3-(3-methoxyphenyl)-2-propynoic acid
OPENEYE Name: 3-(3-methoxyphenyl)prop-2-ynoic acid
IUPAC Name: 3-(3-methoxyphenyl)prop-2-ynoic acid
SYSTEMATIC NAME: 3-(3-methoxyphenyl)prop-2-ynoic acid
MOLECULAR FORMULA: C10H8O3
MOLECULAR WEIGHT: 176.16872
SMILES: COC1=CC=CC(=C1)C#CC(=O)O
Structure:
CAS RN: 4996-15-0
CAS Name: 3-(3-nitrophenyl)-2-propynoic acid
OPENEYE Name: 3-(3-nitrophenyl)prop-2-ynoic acid
IUPAC Name: 3-(3-nitrophenyl)prop-2-ynoic acid
SYSTEMATIC NAME: 3-(3-nitrophenyl)prop-2-ynoic acid
MOLECULAR FORMULA: C9H5NO4
MOLECULAR WEIGHT: 191.1403
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C#CC(=O)O
Structure:
CAS RN: 7702-18-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C8H2Cl6O3
MOLECULAR WEIGHT: 358.81768
SMILES: C12C(C3(C(=C(C1(C3(Cl)Cl)Cl)Cl)Cl)Cl)OC(=O)O2
Structure:
CAS RN: 7509-74-2
CAS Name: 4-[1-[4-(dimethylamino)phenyl]-2-phenylethenyl]-N,N-dimethylaniline
OPENEYE Name: 4-[1-[4-(dimethylamino)phenyl]-2-phenyl-vinyl]-N,N-dimethyl-aniline
IUPAC Name: 4-[1-[4-(dimethylamino)phenyl]-2-phenylethenyl]-N,N-dimethylaniline
SYSTEMATIC NAME: 4-[1-[4-(dimethylamino)phenyl]-2-phenyl-ethenyl]-N,N-dimethyl-aniline
MOLECULAR FORMULA: C24H26N2
MOLECULAR WEIGHT: 342.47664
SMILES: CN(C)C1=CC=C(C=C1)C(=CC2=CC=CC=C2)C3=CC=C(C=C3)N(C)C
Structure:
CAS RN: 7509-73-1
CAS Name: 3,5-diamino-N-[7-(diethylamino)-4-methyl-2-oxo-1-benzopyran-6-yl]benzamide
OPENEYE Name: 3,5-diamino-N-[7-(diethylamino)-4-methyl-2-oxo-chromen-6-yl]benzamide
IUPAC Name: 3,5-diamino-N-[7-(diethylamino)-4-methyl-2-oxochromen-6-yl]benzamide
SYSTEMATIC NAME: 3,5-bis(azanyl)-N-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-6-yl]benzamide
MOLECULAR FORMULA: C21H24N4O3
MOLECULAR WEIGHT: 380.44026
SMILES: CCN(CC)C1=C(C=C2C(=CC(=O)OC2=C1)C)NC(=O)C3=CC(=CC(=C3)N)N
Structure:
CAS RN: 7509-72-0
CAS Name: 7-(diethylamino)-4-methyl-3-(phenylmethyl)-1-benzopyran-2-one
OPENEYE Name: 3-benzyl-7-(diethylamino)-4-methyl-chromen-2-one
IUPAC Name: 3-benzyl-7-(diethylamino)-4-methylchromen-2-one
SYSTEMATIC NAME: 7-(diethylamino)-4-methyl-3-(phenylmethyl)chromen-2-one
MOLECULAR FORMULA: C21H23NO2
MOLECULAR WEIGHT: 321.41282
SMILES: CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)CC3=CC=CC=C3)C
Structure:
CAS RN: 7509-71-9
CAS Name: 7-(butylamino)-4-methyl-3-(phenylmethyl)-1-benzopyran-2-one
OPENEYE Name: 3-benzyl-7-(butylamino)-4-methyl-chromen-2-one
IUPAC Name: 3-benzyl-7-(butylamino)-4-methylchromen-2-one
SYSTEMATIC NAME: 7-(butylamino)-4-methyl-3-(phenylmethyl)chromen-2-one
MOLECULAR FORMULA: C21H23NO2
MOLECULAR WEIGHT: 321.41282
SMILES: CCCCNC1=CC2=C(C=C1)C(=C(C(=O)O2)CC3=CC=CC=C3)C
Structure:
CAS RN: 7596-09-0
CAS Name: N-[7-(diethylamino)-4-methyl-2-oxo-1-benzopyran-6-yl]-3,5-dinitrobenzamide
OPENEYE Name: N-[7-(diethylamino)-4-methyl-2-oxo-chromen-6-yl]-3,5-dinitro-benzamide
IUPAC Name: N-[7-(diethylamino)-4-methyl-2-oxochromen-6-yl]-3,5-dinitrobenzamide
SYSTEMATIC NAME: N-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-6-yl]-3,5-dinitro-benzamide
MOLECULAR FORMULA: C21H20N4O7
MOLECULAR WEIGHT: 440.4061
SMILES: CCN(CC)C1=C(C=C2C(=CC(=O)OC2=C1)C)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 7509-70-8
CAS Name: 2-(2-carboxy-6-ethylphenyl)-3-ethylbenzoic acid
OPENEYE Name: 2-(2-carboxy-6-ethyl-phenyl)-3-ethyl-benzoic acid
IUPAC Name: 2-(2-carboxy-6-ethylphenyl)-3-ethylbenzoic acid
SYSTEMATIC NAME: 2-(2-carboxy-6-ethyl-phenyl)-3-ethyl-benzoic acid
MOLECULAR FORMULA: C18H18O4
MOLECULAR WEIGHT: 298.33312
SMILES: CCC1=CC=CC(=C1C2=C(C=CC=C2CC)C(=O)O)C(=O)O
Structure:
CAS RN: 7596-76-1
CAS Name: 1-methyl-2-benzo[e]benzofurancarboxylic acid ethyl ester
OPENEYE Name: ethyl 1-methylbenzo[e]benzofuran-2-carboxylate
IUPAC Name: ethyl 1-methylbenzo[e][1]benzofuran-2-carboxylate
SYSTEMATIC NAME: ethyl 1-methylbenzo[e][1]benzofuran-2-carboxylate
MOLECULAR FORMULA: C16H14O3
MOLECULAR WEIGHT: 254.28056
SMILES: CCOC(=O)C1=C(C2=C(O1)C=CC3=CC=CC=C32)C
Structure:
CAS RN: 7509-69-5
CAS Name: 3-chloro-2-(2-chloro-6-methoxycarbonylphenyl)benzoic acid methyl ester
OPENEYE Name: methyl 3-chloro-2-(2-chloro-6-methoxycarbonyl-phenyl)benzoate
IUPAC Name: methyl 3-chloro-2-(2-chloro-6-methoxycarbonylphenyl)benzoate
SYSTEMATIC NAME: methyl 3-chloranyl-2-(2-chloranyl-6-methoxycarbonyl-phenyl)benzoate
MOLECULAR FORMULA: C16H12Cl2O4
MOLECULAR WEIGHT: 339.17008
SMILES: COC(=O)C1=C(C(=CC=C1)Cl)C2=C(C=CC=C2Cl)C(=O)OC
Structure:
CAS RN: 4371-27-1
CAS Name: 2-(2,6-dicarboxyphenyl)benzene-1,3-dicarboxylic acid
OPENEYE Name: 2-(2,6-dicarboxyphenyl)benzene-1,3-dicarboxylic acid
IUPAC Name: 2-(2,6-dicarboxyphenyl)benzene-1,3-dicarboxylic acid
SYSTEMATIC NAME: 2-(2,6-dicarboxyphenyl)benzene-1,3-dicarboxylic acid
MOLECULAR FORMULA: C16H10O8
MOLECULAR WEIGHT: 330.2458
SMILES: C1=CC(=C(C(=C1)C(=O)O)C2=C(C=CC=C2C(=O)O)C(=O)O)C(=O)O
Structure:
CAS RN: 7509-68-4
CAS Name: N-[4-(1-piperidinylmethyl)phenyl]acetamide
OPENEYE Name: N-[4-(1-piperidylmethyl)phenyl]acetamide
IUPAC Name: N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
SYSTEMATIC NAME: N-[4-(piperidin-1-ylmethyl)phenyl]ethanamide
MOLECULAR FORMULA: C14H20N2O
MOLECULAR WEIGHT: 232.3214
SMILES: CC(=O)NC1=CC=C(C=C1)CN2CCCCC2
Structure:
CAS RN: 7702-42-3
CAS Name: 6-amino-7-(butylamino)-4-methyl-1-benzopyran-2-one
OPENEYE Name: 6-amino-7-(butylamino)-4-methyl-chromen-2-one
IUPAC Name: 6-amino-7-(butylamino)-4-methylchromen-2-one
SYSTEMATIC NAME: 6-azanyl-7-(butylamino)-4-methyl-chromen-2-one
MOLECULAR FORMULA: C14H18N2O2
MOLECULAR WEIGHT: 246.30492
SMILES: CCCCNC1=C(C=C2C(=CC(=O)OC2=C1)C)N
Structure:
CAS RN: 7509-67-3
CAS Name: 7-(butylamino)-4-methyl-1-benzopyran-2-one
OPENEYE Name: 7-(butylamino)-4-methyl-chromen-2-one
IUPAC Name: 7-(butylamino)-4-methylchromen-2-one
SYSTEMATIC NAME: 7-(butylamino)-4-methyl-chromen-2-one
MOLECULAR FORMULA: C14H17NO2
MOLECULAR WEIGHT: 231.29028
SMILES: CCCCNC1=CC2=C(C=C1)C(=CC(=O)O2)C
Structure:
CAS RN: 7509-66-2
CAS Name: 7-(diethylamino)-4-methyl-6-nitro-1-benzopyran-2-one
OPENEYE Name: 7-(diethylamino)-4-methyl-6-nitro-chromen-2-one
IUPAC Name: 7-(diethylamino)-4-methyl-6-nitrochromen-2-one
SYSTEMATIC NAME: 7-(diethylamino)-4-methyl-6-nitro-chromen-2-one
MOLECULAR FORMULA: C14H16N2O4
MOLECULAR WEIGHT: 276.28784
SMILES: CCN(CC)C1=C(C=C2C(=CC(=O)OC2=C1)C)[N+](=O)[O-]
Structure:
CAS RN: 7509-65-1
CAS Name: 3-(5-methyl-1,3-benzoxazol-2-yl)aniline
OPENEYE Name: 3-(5-methyl-1,3-benzoxazol-2-yl)aniline
IUPAC Name: 3-(5-methyl-1,3-benzoxazol-2-yl)aniline
SYSTEMATIC NAME: 3-(5-methyl-1,3-benzoxazol-2-yl)aniline
MOLECULAR FORMULA: C14H12N2O
MOLECULAR WEIGHT: 224.25788
SMILES: CC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)N
Structure:
CAS RN: 7509-64-0
CAS Name: 2-(2-carboxy-6-chlorophenyl)-3-chlorobenzoic acid
OPENEYE Name: 2-(2-carboxy-6-chloro-phenyl)-3-chloro-benzoic acid
IUPAC Name: 2-(2-carboxy-6-chlorophenyl)-3-chlorobenzoic acid
SYSTEMATIC NAME: 2-(2-carboxy-6-chloranyl-phenyl)-3-chloranyl-benzoic acid
MOLECULAR FORMULA: C14H8Cl2O4
MOLECULAR WEIGHT: 311.11692
SMILES: C1=CC(=C(C(=C1)Cl)C2=C(C=CC=C2Cl)C(=O)O)C(=O)O
Structure:
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