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WIH

WIH
Name:	5-(4-methoxyphenyl)-1H-tetrazole
Formula:	C8 H8 N4 O
SMILES:	COc1ccc(cc1)c1nnn[NH]1
InChi:	InChI=1S/C8H8N4O/c1-13-7-4-2-6(3-5-7)8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12)
Definition date:	2022-09-13
Last modified:	2023-03-03
Release date:	2023-03-08
Identifier:	5-(4-methoxyphenyl)-1H-tetrazole

WIK

WIK
Name:	(5P)-5-(4'-methyl[1,1'-biphenyl]-2-yl)-1H-tetrazole
Formula:	C14 H12 N4
SMILES:	Cc1ccc(cc1)c1ccccc1c1nnn[NH]1
InChi:	InChI=1S/C14H12N4/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14-15-17-18-16-14/h2-9H,1H3,(H,15,16,17,18)
Definition date:	2022-09-13
Last modified:	2023-03-03
Release date:	2023-03-08
Identifier:	(5P)-5-(4'-methyl[1,1'-biphenyl]-2-yl)-1H-tetrazole

WJK

WJK
Name:	(2S)-2-ethyl-4-{[(2'M)-2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
Formula:	C23 H22 N6 O
SMILES:	CCC1CN(Cc2ccc(cc2)c2ccccc2c2nnn[NH]2)c2ncccc2O1
InChi:	InChI=1S/C23H22N6O/c1-2-18-15-29(23-21(30-18)8-5-13-24-23)14-16-9-11-17(12-10-16)19-6-3-4-7-20(19)22-25-27-28-26-22/h3-13,18H,2,14-15H2,1H3,(H,25,26,27,28)/t18-/m0/s1
Definition date:	2022-09-14
Last modified:	2023-03-03
Release date:	2023-03-08
Identifier:	(2S)-2-ethyl-4-{[(2'M)-2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

WMK

WMK
Name:	(1R,2S,3S,4R,5R,9S,11S,12S,14R)-7-amino-2,4,12-trihydroxy-2-(hydroxymethyl)-10,13,15-trioxa-6,8-diazapentacyclo[7.4.1.1~3,12~.0~5,11~.0~5,14~]pentadec-7-en-8-ium (non-preferred name)
Formula:	C11 H15 N3 O7
SMILES:	NC=1NC23C(O)C4OC5(O)OC(C2C(OC35)N=1)C4(O)CO
InChi:	InChI=1S/C11H15N3O7/c12-8-13-6-2-4-9(17,1-15)5-3(16)10(2,14-8)7(19-6)11(18,20-4)21-5/h2-7,15-18H,1H2,(H3,12,13,14)/t2-,3+,4-,5+,6+,7+,9+,10-,11+/m1/s1
Synonyms:	4,9-anhydro-tetrodotoxin
Definition date:	2022-09-29
Last modified:	2023-03-03
Release date:	2023-03-08
Identifier:	(1R,2S,3S,4R,5R,9S,11S,12S,14R)-7-amino-2-(hydroxymethyl)-10,13,15-trioxa-6,8-diazapentacyclo[7.4.1.1~3,12~.0~5,11~.0~5,14~]pentadec-7-ene-2,4,12-triol (non-preferred name)

YK3

YK3
Name:	tert-butyl [(6S,10P)-4-{4-[(ethanesulfonyl)amino]phenyl}-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate
Formula:	C25 H31 N5 O4 S2
SMILES:	CCS(=O)(=O)Nc1ccc(cc1)C1=NC(CC(=O)OC(C)(C)C)c2nnc(C)n2c2sc(C)c(C)c21
InChi:	InChI=1S/C25H31N5O4S2/c1-8-36(32,33)29-18-11-9-17(10-12-18)22-21-14(2)15(3)35-24(21)30-16(4)27-28-23(30)19(26-22)13-20(31)34-25(5,6)7/h9-12,19,29H,8,13H2,1-7H3/t19-/m0/s1
Definition date:	2023-02-09
Last modified:	2023-03-03
Release date:	2023-03-08
Identifier:	tert-butyl [(6S,10P)-4-{4-[(ethanesulfonyl)amino]phenyl}-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate

JNQ

JNQ
Name:	(2S,3R,4S)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid
Formula:	C16 H23 N3 O5 S2
SMILES:	C[CH](O)[CH]([CH]1N=C([CH](SC2CN(C2)C3=NCCS3)[CH]1C)C(O)=O)C(O)=O
InChi:	InChI=1S/C16H23N3O5S2/c1-7-11(10(8(2)20)14(21)22)18-12(15(23)24)13(7)26-9-5-19(6-9)16-17-3-4-25-16/h7-11,13,20H,3-6H2,1-2H3,(H,21,22)(H,23,24)/t7-,8-,10-,11-,13+/m1/s1
Synonyms:	hydrolysed tebipenem
Definition date:	2022-05-06
Last modified:	2023-03-03
Release date:	2023-03-08
Identifier:	(2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid

JNX

JNX
Name:	(2~{R},5~{S})-5-(aminocarbonyloxymethyl)-2-[(1~{S})-1-methoxy-2-oxidanyl-2-oxidanylidene-1-(2-thiophen-2-ylethanoylamino)ethyl]-5,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid
Formula:	C16 H19 N3 O8 S2
SMILES:	CO[C](NC(=O)Cc1sccc1)([CH]2SC[CH](COC(N)=O)C(=N2)C(O)=O)C(O)=O
InChi:	InChI=1S/C16H19N3O8S2/c1-26-16(14(23)24,19-10(20)5-9-3-2-4-28-9)13-18-11(12(21)22)8(7-29-13)6-27-15(17)25/h2-4,8,13H,5-7H2,1H3,(H2,17,25)(H,19,20)(H,21,22)(H,23,24)/t8-,13+,16+/m0/s1
Synonyms:	hydrolysed cefoxitin
Definition date:	2022-05-06
Last modified:	2023-03-03
Release date:	2023-03-08
Identifier:	(2~{R},5~{S})-5-(aminocarbonyloxymethyl)-2-[(1~{S})-1-methoxy-2-oxidanyl-2-oxidanylidene-1-(2-thiophen-2-ylethanoylamino)ethyl]-5,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid

JO9

JO9
Name:	(2~{R},4~{S})-2-[(1~{R})-2-(azepan-1-yl)-1-formamido-2-oxidanylidene-ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Formula:	C15 H25 N3 O4 S
SMILES:	CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC=O)C(=O)N2CCCCCC2
InChi:	InChI=1S/C15H25N3O4S/c1-15(2)11(14(21)22)17-12(23-15)10(16-9-19)13(20)18-7-5-3-4-6-8-18/h9-12,17H,3-8H2,1-2H3,(H,16,19)(H,21,22)/t10-,11-,12+/m0/s1
Synonyms:	mecillinam degradation product
Definition date:	2022-05-06
Last modified:	2023-03-03
Release date:	2023-03-08
Identifier:	(2~{R},4~{S})-2-[(1~{R})-2-(azepan-1-yl)-1-formamido-2-oxidanylidene-ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

JOI

JOI
Name:	(2R,4S)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3S)-1-ethanimidoylpyrrolidin-3-yl]sulfanyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid
Formula:	C15 H23 N3 O5 S
SMILES:	C[CH](O)[CH]([CH]1C[CH](S[CH]2CCN(C2)C(C)=N)C(=N1)C(O)=O)C(O)=O
InChi:	InChI=1S/C15H23N3O5S/c1-7(19)12(14(20)21)10-5-11(13(17-10)15(22)23)24-9-3-4-18(6-9)8(2)16/h7,9-12,16,19H,3-6H2,1-2H3,(H,20,21)(H,22,23)/b16-8+/t7-,9+,10-,11+,12-/m1/s1
Synonyms:	hydrolysed panipenem
Definition date:	2022-05-06
Last modified:	2023-03-03
Release date:	2023-03-08
Identifier:	(2~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S})-1-ethanimidoylpyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid

JOU

JOU
Name:	(2R,5R)-2-[(1S)-1-[2-(cyanomethylsulfanyl)ethanoylamino]-1-methoxy-2-oxidanyl-2-oxidanylidene-ethyl]-5-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Formula:	C15 H19 N7 O6 S3
SMILES:	CO[C](NC(=O)CSCC#N)([CH]1SC[CH](CSc2nnnn2C)C(=N1)C(O)=O)C(O)=O
InChi:	InChI=1S/C15H19N7O6S3/c1-22-14(19-20-21-22)31-6-8-5-30-12(17-10(8)11(24)25)15(28-2,13(26)27)18-9(23)7-29-4-3-16/h8,12H,4-7H2,1-2H3,(H,18,23)(H,24,25)(H,26,27)/t8-,12-,15-/m1/s1
Synonyms:	hydrolysed cefmetazole
Definition date:	2022-05-06
Last modified:	2023-03-03
Release date:	2023-03-08
Identifier:	(2~{R},5~{R})-2-[(1~{S})-1-[2-(cyanomethylsulfanyl)ethanoylamino]-1-methoxy-2-oxidanyl-2-oxidanylidene-ethyl]-5-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-5,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid

87K

87K
Name:	henicosanoic acid
Formula:	C21 H42 O2
SMILES:	CCCCCCCCCCCCCCCCCCCCC(O)=O
InChi:	InChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2-20H2,1H3,(H,22,23)
Definition date:	2022-03-04
Last modified:	2023-03-03
Release date:	2023-03-08
Identifier:	henicosanoic acid

KD3

KD3
Name:	3-deoxy-beta-D-manno-oct-2-ulopyranosonic acid
Formula:	C8 H14 O8
SMILES:	OC(=O)C1(O)CC(O)C(O)C(O1)C(O)CO
InChi:	InChI=1S/C8H14O8/c9-2-4(11)6-5(12)3(10)1-8(15,16-6)7(13)14/h3-6,9-12,15H,1-2H2,(H,13,14)/t3-,4-,5-,6-,8+/m1/s1
Definition date:	2023-02-14
Last modified:	2023-03-03
Release date:	2023-03-08
Identifier:	3-deoxy-beta-D-manno-oct-2-ulopyranosonic acid

LWK

LWK
Name:	(3S)-3-[5-(1-benzylpiperidin-4-yl)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione
Formula:	C25 H27 N3 O3
SMILES:	O=C1NC(=O)CCC1N1Cc2cc(ccc2C1=O)C1CCN(Cc2ccccc2)CC1
InChi:	InChI=1S/C25H27N3O3/c29-23-9-8-22(24(30)26-23)28-16-20-14-19(6-7-21(20)25(28)31)18-10-12-27(13-11-18)15-17-4-2-1-3-5-17/h1-7,14,18,22H,8-13,15-16H2,(H,26,29,30)/t22-/m0/s1
Definition date:	2022-03-09
Last modified:	2023-03-03
Release date:	2023-03-08
Identifier:	(3S)-3-[5-(1-benzylpiperidin-4-yl)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione

N9X

N9X
Name:	Ertapenem
Formula:	C22 H27 N3 O7 S
SMILES:	C[CH](O)[CH](C=O)[CH]1N=C([CH](S[CH]2CN[CH](C2)C(=O)Nc3ccc(cc3)C(O)=O)[CH]1C)C(O)=O
InChi:	InChI=1S/C22H27N3O7S/c1-10-17(15(9-26)11(2)27)25-18(22(31)32)19(10)33-14-7-16(23-8-14)20(28)24-13-5-3-12(4-6-13)21(29)30/h3-6,9-11,14-17,19,23,27H,7-8H2,1-2H3,(H,24,28)(H,29,30)(H,31,32)/t10-,11-,14+,15-,16-,17-,19-/m1/s1
Synonyms:	(3~{R},4~{R},5~{S})-3-[(3~{S},5~{R})-5-[(4-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]pyrrolidine-2-carboxylic acid
Definition date:	2022-08-16
Last modified:	2023-03-03
Release date:	2023-03-08
Identifier:	(2~{S},3~{R},4~{R})-4-[(3~{S},5~{R})-5-[(4-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid

NZ0

NZ0
Name:	(3P)-4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
Formula:	C13 H12 N6 O3 S
SMILES:	OCc1ccc(cc1)c1ccnc(c1c1n[NH]nn1)S(N)(=O)=O
InChi:	InChI=1S/C13H12N6O3S/c14-23(21,22)13-11(12-16-18-19-17-12)10(5-6-15-13)9-3-1-8(7-20)2-4-9/h1-6,20H,7H2,(H2,14,21,22)(H,16,17,18,19)
Definition date:	2022-04-14
Last modified:	2023-03-03
Release date:	2023-03-08
Identifier:	(3P)-4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide

NZR

NZR
Name:	(2M)-4'-methyl-2-(2H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide
Formula:	C14 H13 N5 O2 S
SMILES:	Cc1ccc(cc1)c1cccc(c1c1n[NH]nn1)S(N)(=O)=O
InChi:	InChI=1S/C14H13N5O2S/c1-9-5-7-10(8-6-9)11-3-2-4-12(22(15,20)21)13(11)14-16-18-19-17-14/h2-8H,1H3,(H2,15,20,21)(H,16,17,18,19)
Definition date:	2022-04-14
Last modified:	2023-03-03
Release date:	2023-03-08
Identifier:	(2M)-4'-methyl-2-(2H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide

O0F

O0F
Name:	(6P)-4-amino-6-(2H-tetrazol-5-yl)benzene-1,3-disulfonamide
Formula:	C7 H9 N7 O4 S2
SMILES:	NS(=O)(=O)c1cc(c(cc1N)c1n[NH]nn1)S(N)(=O)=O
InChi:	InChI=1S/C7H9N7O4S2/c8-4-1-3(7-11-13-14-12-7)5(19(9,15)16)2-6(4)20(10,17)18/h1-2H,8H2,(H2,9,15,16)(H2,10,17,18)(H,11,12,13,14)
Definition date:	2022-04-14
Last modified:	2023-03-03
Release date:	2023-03-08
Identifier:	(6P)-4-amino-6-(2H-tetrazol-5-yl)benzene-1,3-disulfonamide

O0L

O0L
Name:	(2M)-4'-(hydroxymethyl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-ol
Formula:	C14 H12 N4 O2
SMILES:	OCc1ccc(cc1)c1cccc(O)c1c1nnn[NH]1
InChi:	InChI=1S/C14H12N4O2/c19-8-9-4-6-10(7-5-9)11-2-1-3-12(20)13(11)14-15-17-18-16-14/h1-7,19-20H,8H2,(H,15,16,17,18)
Definition date:	2022-04-14
Last modified:	2023-03-03
Release date:	2023-03-08
Identifier:	(2M)-4'-(hydroxymethyl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-ol

O2F

O2F
Name:	(2S,3R,4R)-4-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-3-methyl-2-[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2H-pyrrole-5-carboxylic acid
Formula:	C17 H27 N3 O5 S
SMILES:	C[CH](O)[CH](C=O)[CH]1N=C([CH](S[CH]2CN[CH](C2)C(=O)N(C)C)[CH]1C)C(O)=O
InChi:	InChI=1S/C17H27N3O5S/c1-8-13(11(7-21)9(2)22)19-14(17(24)25)15(8)26-10-5-12(18-6-10)16(23)20(3)4/h7-13,15,18,22H,5-6H2,1-4H3,(H,24,25)/t8-,9-,10+,11-,12+,13-,15-/m1/s1
Synonyms:	Meropenem, bound form
Definition date:	2022-08-26
Last modified:	2023-03-03
Release date:	2023-03-08
Identifier:	(2~{S},3~{R},4~{R})-4-[(3~{S},5~{S})-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid

5YP

5YP
Name:	4-[(3-ethanoylphenyl)sulfamoyl]-~{N}-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide
Formula:	C24 H18 F N3 O4 S2
SMILES:	CC(=O)c1cccc(N[S](=O)(=O)c2ccc(cc2)C(=O)Nc3scc(n3)c4cccc(F)c4)c1
InChi:	InChI=1S/C24H18FN3O4S2/c1-15(29)17-4-3-7-20(13-17)28-34(31,32)21-10-8-16(9-11-21)23(30)27-24-26-22(14-33-24)18-5-2-6-19(25)12-18/h2-14,28H,1H3,(H,26,27,30)
Definition date:	2021-08-31
Last modified:	2023-03-03
Release date:	2023-03-08
Identifier:	4-[(3-ethanoylphenyl)sulfamoyl]-~{N}-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide

Q8Z

Q8Z
Name:	~{N}-methoxy-~{N}-methyl-benzenesulfonamide
Formula:	C8 H11 N O3 S
SMILES:	CON(C)[S](=O)(=O)c1ccccc1
InChi:	InChI=1S/C8H11NO3S/c1-9(12-2)13(10,11)8-6-4-3-5-7-8/h3-7H,1-2H3
Definition date:	2022-10-17
Last modified:	2023-03-03
Release date:	2023-03-08
Identifier:	~{N}-methoxy-~{N}-methyl-benzenesulfonamide

Q96

Q96
Name:	3-azanyl-~{N}-methyl-4-(methylamino)benzenesulfonamide
Formula:	C8 H13 N3 O2 S
SMILES:	CNc1ccc(cc1N)[S](=O)(=O)NC
InChi:	InChI=1S/C8H13N3O2S/c1-10-8-4-3-6(5-7(8)9)14(12,13)11-2/h3-5,10-11H,9H2,1-2H3
Definition date:	2022-10-17
Last modified:	2023-03-03
Release date:	2023-03-08
Identifier:	3-azanyl-~{N}-methyl-4-(methylamino)benzenesulfonamide

Q9I

Q9I
Name:	4-chloranyl-~{N}-methoxy-~{N}-methyl-benzenesulfonamide
Formula:	C8 H10 Cl N O3 S
SMILES:	CON(C)[S](=O)(=O)c1ccc(Cl)cc1
InChi:	InChI=1S/C8H10ClNO3S/c1-10(13-2)14(11,12)8-5-3-7(9)4-6-8/h3-6H,1-2H3
Definition date:	2022-10-17
Last modified:	2023-03-03
Release date:	2023-03-08
Identifier:	4-chloranyl-~{N}-methoxy-~{N}-methyl-benzenesulfonamide

QA9

QA9
Name:	1-(4-aminophenyl)sulfonylguanidine
Formula:	C7 H10 N4 O2 S
SMILES:	NC(=N)N[S](=O)(=O)c1ccc(N)cc1
InChi:	InChI=1S/C7H10N4O2S/c8-5-1-3-6(4-2-5)14(12,13)11-7(9)10/h1-4H,8H2,(H4,9,10,11)
Definition date:	2022-10-17
Last modified:	2023-03-03
Release date:	2023-03-08
Identifier:	1-(4-aminophenyl)sulfonylguanidine

QAU

QAU
Name:	3-oxidanylbenzenesulfonamide
Formula:	C6 H7 N O3 S
SMILES:	N[S](=O)(=O)c1cccc(O)c1
InChi:	InChI=1S/C6H7NO3S/c7-11(9,10)6-3-1-2-5(8)4-6/h1-4,8H,(H2,7,9,10)
Definition date:	2022-10-17
Last modified:	2023-03-03
Release date:	2023-03-08
Identifier:	3-oxidanylbenzenesulfonamide

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