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ZSP

ZSP
Name:	2-amino-6-[(1Z)-1,2-dihydroxyprop-1-en-1-yl]-7,8-dihydropteridin-4(3H)-one
Formula:	C9 H11 N5 O3
SMILES:	O=C1C=2N=C(C(O)=C(O)C)CNC=2N=C(N)N1
InChi:	InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h15-16H,2H2,1H3,(H4,10,11,13,14,17)/b6-3-
Synonyms:	Sepiapterin (enol-form)
Definition date:	2013-12-20
Last modified:	2021-03-01
Release date:	2014-07-16
Identifier:	2-amino-6-[(1Z)-1,2-dihydroxyprop-1-en-1-yl]-7,8-dihydropteridin-4(3H)-one

SYN

SYN
Name:	ethenylbenzene
Formula:	C8 H8
SMILES:	C=Cc1ccccc1
InChi:	InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2
Synonyms:	styrene
Definition date:	2012-10-15
Last modified:	2021-03-01
Release date:	2013-05-01
Identifier:	ethenylbenzene

S4P

S4P
Name:	Dihydrogen tetrasulfide
Formula:	H2 S4
SMILES:	SSSS
InChi:	InChI=1S/H2S4/c1-3-4-2/h1-2H
Synonyms:	Tetrasulfane
Definition date:	2016-06-10
Last modified:	2021-03-01
Release date:	2018-11-21

JZ5

JZ5
Name:	(NZ)-N-(thiophen-2-ylmethylidene)hydroxylamine
Formula:	C5 H5 N O S
SMILES:	ON=Cc1sccc1
InChi:	InChI=1S/C5H5NOS/c7-6-4-5-2-1-3-8-5/h1-4,7H/b6-4-
Synonyms:	(Z)-thiophene-2-carboxaldoxime
Definition date:	2009-06-16
Last modified:	2021-03-01
Identifier:	(NZ)-N-(thiophen-2-ylmethylidene)hydroxylamine

ZAP

ZAP
Name:	[N-(BENZYLOXYCARBONYL)AMINO](4-AMIDINOPHENYL)METHANE-PHOSPHONATE
Formula:	C16 H18 N3 O5 P
SMILES:	O=P(O)(O)C(c1ccc(C(=[N@H])N)cc1)NC(=O)OCc2ccccc2
InChi:	InChI=1S/C16H18N3O5P/c17-14(18)12-6-8-13(9-7-12)15(25(21,22)23)19-16(20)24-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H3,17,18)(H,19,20)(H2,21,22,23)/t15-/m1/s1
Synonyms:	Z-AMIDINOPHENYLMETHANE-PHOSPHONATE
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	[(R)-{[(benzyloxy)carbonyl]amino}(4-carbamimidoylphenyl)methyl]phosphonic acid

XAM

XAM
Name:	(1R,4aS,5S,6S,8aR)-5-{[(5S)-1-(3-O-acetyl-4-O-carbamoyl-6-deoxy-2-O-methyl-alpha-L-talopyranosyl)-4-hydroxy-2-oxo-5-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]carbonyl}-6-methyl-4-methylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl 2,6-dideoxy-3-C-[(1S)-1-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}ethyl]-beta-D-ribo-hexopyranoside
Formula:	C44 H60 Cl2 N4 O14
SMILES:	O=C(OC1C(OC)C(OC(C)C1OC(=O)N)N2C(=O)C(=C(O)C2C(C)C)C(=O)C6C(C=CC5C(OC3OC(C(O)C(O)(C3)C(NC(=O)c4c(Cl)c(Cl)c(n4)C)C)C)CC/C(=C)C56)C)C
InChi:	InChI=1S/C44H60Cl2N4O14/c1-16(2)33-35(53)29(41(56)50(33)42-38(59-10)37(62-23(9)51)36(20(6)61-42)64-43(47)57)34(52)28-18(4)11-13-24-25(14-12-17(3)27(24)28)63-26-15-44(58,39(54)21(7)60-26)22(8)49-40(55)32-31(46)30(45)19(5)48-32/h11,13,16,18,20-22,24-28,33,36-39,42,48,53-54,58H,3,12,14-15H2,1-2,4-10H3,(H2,47,57)(H,49,55)/t18-,20-,21+,22-,24-,25+,26-,27-,28-,33-,36+,37+,38+,39+,42+,44+/m0/s1
Synonyms:	Amycolamicin
Definition date:	2012-04-11
Last modified:	2021-03-01
Release date:	2014-07-16
Identifier:	(1R,4aS,5S,6S,8aR)-5-{[(5S)-1-(3-O-acetyl-4-O-carbamoyl-6-deoxy-2-O-methyl-alpha-L-talopyranosyl)-4-hydroxy-2-oxo-5-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]carbonyl}-6-methyl-4-methylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl 2,6-dideoxy-3-C-[(1S)-1-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}ethyl]-beta-D-ribo-hexopyranoside

MG0

MG0
Name:	2-(4-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
Formula:	C18 H18 F6 N4 O3 S
SMILES:	O=S(=O)(c1ccc(nc1)N)N3CCN(c2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F)CC3
InChi:	InChI=1S/C18H18F6N4O3S/c19-17(20,21)16(29,18(22,23)24)12-1-3-13(4-2-12)27-7-9-28(10-8-27)32(30,31)14-5-6-15(25)26-11-14/h1-6,11,29H,7-10H2,(H2,25,26)
Synonyms:	AMG-5980
Definition date:	2013-10-02
Last modified:	2021-03-01
Release date:	2014-05-07
Identifier:	2-(4-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

ZU3

ZU3
Name:	N-[(benzyloxy)carbonyl]-3-[(2,2-dimethylpropanoyl)amino]-L-alanyl-N-[(1R)-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}pentyl]-L-leucinamide
Formula:	C32 H49 N5 O7
SMILES:	O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(CC2C(=O)NCC2)CCC(=O)C)CC(C)C)CNC(=O)C(C)(C)C
InChi:	InChI=1S/C32H49N5O7/c1-20(2)16-25(28(40)35-24(13-12-21(3)38)17-23-14-15-33-27(23)39)36-29(41)26(18-34-30(42)32(4,5)6)37-31(43)44-19-22-10-8-7-9-11-22/h7-11,20,23-26H,12-19H2,1-6H3,(H,33,39)(H,34,42)(H,35,40)(H,36,41)(H,37,43)/t23-,24+,25-,26-/m0/s1
Synonyms:	TG-0204998
Definition date:	2008-10-30
Last modified:	2021-03-01
Identifier:	N-[(benzyloxy)carbonyl]-3-[(2,2-dimethylpropanoyl)amino]-L-alanyl-N-{(2R)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hexan-2-yl}-L-leucinamide

WUL

WUL
Name:	8-BROMANYL-2-[[(3S)-3-OXIDANYLPYRROLIDIN-1-YL]METHYL]-3H-[1]BENZOFURO[3,2-D]PYRIMIDIN-4-ONE
Formula:	C15 H14 Br N3 O3
SMILES:	Brc4cc3c(oc1c3N=C(NC1=O)CN2CCC(O)C2)cc4
InChi:	InChI=1S/C15H14BrN3O3/c16-8-1-2-11-10(5-8)13-14(22-11)15(21)18-12(17-13)7-19-4-3-9(20)6-19/h1-2,5,9,20H,3-4,6-7H2,(H,17,18,21)/t9-/m0/s1
Synonyms:	(S)-8-BROMO-2-((3-HYDROXYPYRROLIDIN-1-YL)METHYL)
Definition date:	2012-03-20
Last modified:	2021-03-01
Identifier:	8-bromo-2-{[(3S)-3-hydroxypyrrolidin-1-yl]methyl}[1]benzofuro[3,2-d]pyrimidin-4(3H)-one

MGD

MGD
Name:	2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE
Formula:	C20 H26 N10 O13 P2 S2
SMILES:	O=C1C=2NC3C(S)=C(S)C(OC3NC=2N=C(N)N1)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c5N=C(N)NC4=O)C(O)C6O
InChi:	InChI=1S/C20H26N10O13P2S2/c21-19-26-13-7(15(33)28-19)24-6-12(47)11(46)5(41-17(6)25-13)2-40-45(37,38)43-44(35,36)39-1-4-9(31)10(32)18(42-4)30-3-23-8-14(30)27-20(22)29-16(8)34/h3-6,9-10,17-18,24,31-32,46-47H,1-2H2,(H,35,36)(H,37,38)(H3,22,27,29,34)(H4,21,25,26,28,33)/t4-,5-,6+,9-,10-,17-,18-/m1/s1
Synonyms:	MOLYBDOPTERIN GUANOSINE DINUCLEOTIDE
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	5'-O-[(R)-{[(S)-{[(5aR,8R,9aR)-2-amino-4-oxo-6,7-disulfanyl-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine

ZU5

ZU5
Name:	N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-[(1R)-4-cyclopropyl-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}butyl]-L-leucinamide
Formula:	C34 H52 N4 O7
SMILES:	O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(CC2C(=O)NCC2)CCC(=O)C3CC3)CC(C)C)C(OC(C)(C)C)C
InChi:	InChI=1S/C34H52N4O7/c1-21(2)18-27(31(41)36-26(14-15-28(39)24-12-13-24)19-25-16-17-35-30(25)40)37-32(42)29(22(3)45-34(4,5)6)38-33(43)44-20-23-10-8-7-9-11-23/h7-11,21-22,24-27,29H,12-20H2,1-6H3,(H,35,40)(H,36,41)(H,37,42)(H,38,43)/t22-,25+,26-,27+,29+/m1/s1
Synonyms:	TG-0205486
Definition date:	2008-12-10
Last modified:	2021-03-01
Identifier:	N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2R)-5-cyclopropyl-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-leucinamide

S5P

S5P
Name:	6-sulfanyluridine-5'-phosphate
Formula:	C9 H13 N2 O9 P S
SMILES:	O=C1NC(=O)N(C(S)=C1)C2OC(C(O)C2O)COP(=O)(O)O
InChi:	InChI=1S/C9H13N2O9PS/c12-4-1-5(22)11(9(15)10-4)8-7(14)6(13)3(20-8)2-19-21(16,17)18/h1,3,6-8,13-14,22H,2H2,(H,10,12,15)(H2,16,17,18)/t3-,6-,7-,8-/m1/s1
Synonyms:	6-mercaptouridine-5'-monophosphate
Definition date:	2008-10-23
Last modified:	2021-03-01
Identifier:	6-sulfanyluridine 5'-(dihydrogen phosphate)

O2Y

O2Y
Name:	3-[(carboxymethyl)sulfanyl]pyridine-2-carboxylic acid
Formula:	C8 H7 N O4 S
SMILES:	O=C(CSc1c(nccc1)C(=O)O)O
InChi:	InChI=1S/C8H7NO4S/c10-6(11)4-14-5-2-1-3-9-7(5)8(12)13/h1-3H,4H2,(H,10,11)(H,12,13)
Synonyms:	3-(carboxymethylthio)picolinic acid
Definition date:	2019-06-05
Last modified:	2021-03-01
Release date:	2019-09-18
Identifier:	3-[(carboxymethyl)sulfanyl]pyridine-2-carboxylic acid

MGZ

MGZ
Name:	(2R)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid
Formula:	C15 H10 Cl F3 O3
SMILES:	Clc1ccc(cc1)C(Oc2cc(ccc2)C(F)(F)F)C(=O)O
InChi:	InChI=1S/C15H10ClF3O3/c16-11-6-4-9(5-7-11)13(14(20)21)22-12-3-1-2-10(8-12)15(17,18)19/h1-8,13H,(H,20,21)/t13-/m1/s1
Synonyms:	Metaglidasen
Definition date:	2014-04-08
Last modified:	2021-03-01
Release date:	2015-02-11
Identifier:	(2R)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid

YRL

YRL
Name:	4-(2-hydroxyethyl)phenol
Formula:	C8 H10 O2
SMILES:	Oc1ccc(cc1)CCO
InChi:	InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2
Synonyms:	p-tyrosol
Definition date:	2014-03-25
Last modified:	2021-03-01
Release date:	2014-07-30
Identifier:	4-(2-hydroxyethyl)phenol

L9R

L9R
Name:	(2S)-3-(octadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
Formula:	C44 H86 N O8 P
SMILES:	O=C(OCC(OC(=O)CCCCCCCC=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCC
InChi:	InChI=1S/C44H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h21,23,42H,6-20,22,24-41H2,1-5H3/b23-21-/t42-/m0/s1
Synonyms:	1-stearoyl-2-oleoyl-sn-glycero-3-phosphocholine
Definition date:	2010-03-19
Last modified:	2021-03-01
Identifier:	(2S)-3-(octadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate

QZM

QZM
Name:	2-[2-[(cyclohexylmethyl-$l^{3}-oxidanyl)carbonylamino]propan-2-yl]-~{N}-[2-(5-methoxy-4-oxidanyl-cyclohexa-1,3,5-trien-1-yl)ethyl]-5-oxidanyl-6-oxidanylidene-pyrimidine-4-carboxamide
Formula:	C25 H28 N4 O7
SMILES:	c1(ccc(cc1OC)CCNC(=O)C3=C(C(=O)NC(C(C)(C)NC(=O)OCc2ccccc2)=N3)O)O
InChi:	InChI=1S/C25H28N4O7/c1-25(2,29-24(34)36-14-16-7-5-4-6-8-16)23-27-19(20(31)22(33)28-23)21(32)26-12-11-15-9-10-17(30)18(13-15)35-3/h4-10,13,30-31H,11-12,14H2,1-3H3,(H,26,32)(H,29,34)(H,27,28,33)
Synonyms:	SJ000986192
Definition date:	2020-01-17
Last modified:	2021-03-01
Release date:	2021-02-10
Identifier:	benzyl [2-(5-hydroxy-4-{[2-(4-hydroxy-3-methoxyphenyl)ethyl]carbamoyl}-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate

ZD6

ZD6
Name:	Vandetanib
Formula:	C22 H24 Br F N4 O2
SMILES:	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC4CCN(C)CC4
InChi:	InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
Synonyms:	ZD6474
Definition date:	2006-06-16
Last modified:	2021-03-01
Identifier:	~{N}-(4-bromanyl-2-fluoranyl-phenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine

H37

H37
Name:	D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-phenylalaninamide
Formula:	C25 H33 Cl N6 O3
SMILES:	ClCC(=O)C(NC(=O)C(NC(=O)C(N)Cc1ccccc1)Cc2ccccc2)CCCNC(=[N@H])N
InChi:	InChI=1S/C25H33ClN6O3/c26-16-22(33)20(12-7-13-30-25(28)29)31-24(35)21(15-18-10-5-2-6-11-18)32-23(34)19(27)14-17-8-3-1-4-9-17/h1-6,8-11,19-21H,7,12-16,27H2,(H,31,35)(H,32,34)(H4,28,29,30)/t19-,20+,21+/m1/s1
Synonyms:	FFRCK
Definition date:	2010-11-09
Last modified:	2021-03-01
Identifier:	D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-phenylalaninamide

QZP

QZP
Name:	4-(2-methylpropyl)benzoic acid
Formula:	C11 H14 O2
SMILES:	c1c(CC(C)C)ccc(C(O)=O)c1
InChi:	InChI=1S/C11H14O2/c1-8(2)7-9-3-5-10(6-4-9)11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)
Synonyms:	4-isobutylbenzoic acid
Definition date:	2020-01-20
Last modified:	2021-03-01
Release date:	2021-01-20
Identifier:	4-(2-methylpropyl)benzoic acid

MHA

MHA
Name:	(CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID
Formula:	C6 H10 N2 O5
SMILES:	O=C(O)CN(CC(=O)N)CC(=O)O
InChi:	InChI=1S/C6H10N2O5/c7-4(9)1-8(2-5(10)11)3-6(12)13/h1-3H2,(H2,7,9)(H,10,11)(H,12,13)
Synonyms:	N-(2-ACETAMIDO)IMINODIACETIC ACID
Definition date:	2002-06-18
Last modified:	2021-03-01
Identifier:	2,2'-[(2-amino-2-oxoethyl)imino]diacetic acid

NAI

NAI
Name:	1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE
Formula:	C21 H29 N7 O14 P2
SMILES:	NC(=O)C1=CN(C=CC1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
InChi:	InChI=1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
Synonyms:	NADH
Definition date:	1999-12-13
Last modified:	2021-03-01
Identifier:	[[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate

K0X

K0X
Name:	(7S)-7-amino-N-[(4-fluorophenyl)methyl]-8-oxo-2,9,16,18,21-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-triene-20-carboxamide
Formula:	C24 H34 F N7 O2
SMILES:	C1CCCNC(=O)C(N)CCCCNc2c(cnc(NCC1)n2)C(=O)NCc3ccc(cc3)F
InChi:	InChI=1S/C24H34FN7O2/c25-18-10-8-17(9-11-18)15-30-22(33)19-16-31-24-29-14-5-2-1-4-13-28-23(34)20(26)7-3-6-12-27-21(19)32-24/h8-11,16,20H,1-7,12-15,26H2,(H,28,34)(H,30,33)(H2,27,29,31,32)/t20-/m0/s1
Synonyms:	UNC2541
Definition date:	2016-05-20
Last modified:	2021-03-01
Release date:	2017-02-22
Identifier:	(7S)-7-amino-N-[(4-fluorophenyl)methyl]-8-oxo-2,9,16,18,21-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-triene-20-carboxamide

XSP

XSP
Name:	(2R)-3-oxo-2-(phosphonooxy)propanoic acid
Formula:	C3 H5 O7 P
SMILES:	O=P(OC(C=O)C(=O)O)(O)O
InChi:	InChI=1S/C3H5O7P/c4-1-2(3(5)6)10-11(7,8)9/h1-2H,(H,5,6)(H2,7,8,9)/t2-/m1/s1
Synonyms:	D-tartronate semialdehyde 2-phosphate
Definition date:	2012-07-30
Last modified:	2021-03-01
Identifier:	(2R)-3-oxo-2-(phosphonooxy)propanoic acid

V1L

V1L
Name:	piperidin-2-one
Formula:	C5 H9 N O
SMILES:	O=C1CCCCN1
InChi:	InChI=1S/C5H9NO/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7)
Synonyms:	valerolactam
Definition date:	2017-07-17
Last modified:	2021-03-01
Release date:	2018-10-10
Identifier:	piperidin-2-one

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