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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

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

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

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

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

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

QB0

QB0
Name:	phenylsulfonylcarbamodithioic acid
Formula:	C7 H7 N O2 S3
SMILES:	SC(=S)N[S](=O)(=O)c1ccccc1
InChi:	InChI=1S/C7H7NO2S3/c9-13(10,8-7(11)12)6-4-2-1-3-5-6/h1-5H,(H2,8,11,12)
Definition date:	2022-10-17
Last modified:	2023-03-03
Release date:	2023-03-08
Identifier:	phenylsulfonylcarbamodithioic acid

QB6

QB6
Name:	3-azanyl-4-oxidanyl-benzenesulfonamide
Formula:	C6 H8 N2 O3 S
SMILES:	Nc1cc(ccc1O)[S](N)(=O)=O
InChi:	InChI=1S/C6H8N2O3S/c7-5-3-4(12(8,10)11)1-2-6(5)9/h1-3,9H,7H2,(H2,8,10,11)
Definition date:	2022-10-17
Last modified:	2023-03-03
Release date:	2023-03-08
Identifier:	3-azanyl-4-oxidanyl-benzenesulfonamide

QGL

QGL
Name:	2-[(2~{S})-2-ethylhexoxy]carbonylbenzoic acid
Formula:	C16 H22 O4
SMILES:	CCCC[CH](CC)COC(=O)c1ccccc1C(O)=O
InChi:	InChI=1S/C16H22O4/c1-3-5-8-12(4-2)11-20-16(19)14-10-7-6-9-13(14)15(17)18/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18)/t12-/m0/s1
Synonyms:	MEHP
Definition date:	2022-10-28
Last modified:	2023-03-03
Release date:	2023-03-08
Identifier:	2-[(2~{S})-2-ethylhexoxy]carbonylbenzoic 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

QOI

QOI
Name:	1,3,8-tris(oxidanyl)anthracene-9,10-dione
Formula:	C14 H8 O5
SMILES:	Oc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
InChi:	InChI=1S/C14H8O5/c15-6-4-8-12(10(17)5-6)14(19)11-7(13(8)18)2-1-3-9(11)16/h1-5,15-17H
Definition date:	2022-11-10
Last modified:	2023-03-03
Release date:	2023-03-08
Identifier:	1,3,8-tris(oxidanyl)anthracene-9,10-dione

QOT

QOT
Name:	3,8-dimethoxy-1-oxidanyl-anthracene-9,10-dione
Formula:	C16 H12 O5
SMILES:	COc1cc(O)c2C(=O)c3c(OC)cccc3C(=O)c2c1
InChi:	InChI=1S/C16H12O5/c1-20-8-6-10-13(11(17)7-8)16(19)14-9(15(10)18)4-3-5-12(14)21-2/h3-7,17H,1-2H3
Definition date:	2022-11-10
Last modified:	2023-03-03
Release date:	2023-03-08
Identifier:	3,8-dimethoxy-1-oxidanyl-anthracene-9,10-dione

QP3

QP3
Name:	1,3-dimethoxy-8-oxidanyl-anthracene-9,10-dione
Formula:	C16 H12 O5
SMILES:	COc1cc(OC)c2C(=O)c3c(O)cccc3C(=O)c2c1
InChi:	InChI=1S/C16H12O5/c1-20-8-6-10-14(12(7-8)21-2)16(19)13-9(15(10)18)4-3-5-11(13)17/h3-7,17H,1-2H3
Definition date:	2022-11-10
Last modified:	2023-03-03
Release date:	2023-03-08
Identifier:	1,3-dimethoxy-8-oxidanyl-anthracene-9,10-dione

QPF

QPF
Name:	1-methoxy-3,8-bis(oxidanyl)anthracene-9,10-dione
Formula:	C15 H10 O5
SMILES:	COc1cc(O)cc2C(=O)c3cccc(O)c3C(=O)c12
InChi:	InChI=1S/C15H10O5/c1-20-11-6-7(16)5-9-13(11)15(19)12-8(14(9)18)3-2-4-10(12)17/h2-6,16-17H,1H3
Definition date:	2022-11-10
Last modified:	2023-03-03
Release date:	2023-03-08
Identifier:	1-methoxy-3,8-bis(oxidanyl)anthracene-9,10-dione

QPO

QPO
Name:	3-methoxy-1,8-bis(oxidanyl)anthracene-9,10-dione
Formula:	C15 H10 O5
SMILES:	COc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
InChi:	InChI=1S/C15H10O5/c1-20-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3
Definition date:	2022-11-10
Last modified:	2023-03-03
Release date:	2023-03-08
Identifier:	3-methoxy-1,8-bis(oxidanyl)anthracene-9,10-dione

QTX

QTX
Name:	~{N}-[3,5-bis(chloranyl)phenyl]-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
Formula:	C25 H19 Cl2 N7 O
SMILES:	Cn1ncc2c(Nc3cc(ccc3C)C(=O)Nc4cc(Cl)cc(Cl)c4)nc(nc12)c5cccnc5
InChi:	InChI=1S/C25H19Cl2N7O/c1-14-5-6-15(25(35)30-19-10-17(26)9-18(27)11-19)8-21(14)31-23-20-13-29-34(2)24(20)33-22(32-23)16-4-3-7-28-12-16/h3-13H,1-2H3,(H,30,35)(H,31,32,33)
Definition date:	2022-11-15
Last modified:	2023-03-03
Release date:	2023-03-08
Identifier:	~{N}-[3,5-bis(chloranyl)phenyl]-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide

QU6

QU6
Name:	~{N}-(3-methoxyphenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
Formula:	C26 H23 N7 O2
SMILES:	COc1cccc(NC(=O)c2ccc(C)c(Nc3nc(nc4n(C)ncc34)c5cccnc5)c2)c1
InChi:	InChI=1S/C26H23N7O2/c1-16-9-10-17(26(34)29-19-7-4-8-20(13-19)35-3)12-22(16)30-24-21-15-28-33(2)25(21)32-23(31-24)18-6-5-11-27-14-18/h4-15H,1-3H3,(H,29,34)(H,30,31,32)
Definition date:	2022-11-15
Last modified:	2023-03-03
Release date:	2023-03-08
Identifier:	~{N}-(3-methoxyphenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide

QUU

QUU
Name:	~{N}-[4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
Formula:	C26 H20 F3 N7 O
SMILES:	Cn1ncc2c(Nc3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)nc(nc12)c5cccnc5
InChi:	InChI=1S/C26H20F3N7O/c1-15-8-9-19(32-25(37)16-5-3-7-18(11-16)26(27,28)29)12-21(15)33-23-20-14-31-36(2)24(20)35-22(34-23)17-6-4-10-30-13-17/h3-14H,1-2H3,(H,32,37)(H,33,34,35)
Definition date:	2022-11-15
Last modified:	2023-03-03
Release date:	2023-03-08
Identifier:	~{N}-[4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide

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