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WR7

WR7
Name:	2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl [(1R)-2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]carbamate
Formula:	C13 H14 Cl3 N7 O4
SMILES:	ClC(Cl)(Cl)C(Nc1ncccn1)NC(=O)OCCn2c(cnc2C)[N+]([O-])=O
InChi:	InChI=1S/C13H14Cl3N7O4/c1-8-19-7-9(23(25)26)22(8)5-6-27-12(24)21-10(13(14,15)16)20-11-17-3-2-4-18-11/h2-4,7,10H,5-6H2,1H3,(H,21,24)(H,17,18,20)/t10-/m1/s1
Synonyms:	apcin
Definition date:	2013-10-22
Last modified:	2021-03-01
Release date:	2014-08-20
Identifier:	2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl [(1R)-2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]carbamate

IS3

IS3
Name:	Isopentenyl Diphosphate Beta-S
Formula:	C5 H14 O6 P2 S
SMILES:	O=P(O)(OP(=O)(OCCC(C)C)O)S
InChi:	InChI=1S/C5H14O6P2S/c1-5(2)3-4-10-12(6,7)11-13(8,9)14/h5H,3-4H2,1-2H3,(H,6,7)(H2,8,9,14)
Synonyms:	O-(3-methylbutyl) trihydrogen thiodiphosphate
Definition date:	2009-10-21
Last modified:	2021-03-01
Identifier:	O-(3-methylbutyl) trihydrogen thiodiphosphate

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)

WAD

WAD
Name:	(10R)-10-hydroxyoctadecanoic acid
Formula:	C18 H36 O3
SMILES:	C(CCCCC(CCCCCCCCC(O)=O)O)CCC
InChi:	InChI=1S/C18H36O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)/t17-/m1/s1
Synonyms:	(R)-10-Hydroxystearic acid
Definition date:	2020-10-05
Last modified:	2021-03-01
Release date:	2021-01-06
Identifier:	(10R)-10-hydroxyoctadecanoic acid

TE4

TE4
Name:	Tetracaine
Formula:	C15 H24 N2 O2
SMILES:	O=C(OCCN(C)C)c1ccc(NCCCC)cc1
InChi:	InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
Synonyms:	2-(dimethylamino)ethyl 4-(butylamino)benzoate
Definition date:	2014-02-11
Last modified:	2021-03-01
Release date:	2014-11-19
Identifier:	2-(dimethylamino)ethyl 4-(butylamino)benzoate

ZPH

ZPH
Name:	methyl (2S)-2-{[(R)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoate
Formula:	C15 H24 N O5 P
SMILES:	O=C(OC)C(OP(=O)(O)C(N)CC(C)C)Cc1ccccc1
InChi:	InChI=1S/C15H24NO5P/c1-11(2)9-14(16)22(18,19)21-13(15(17)20-3)10-12-7-5-4-6-8-12/h4-8,11,13-14H,9-10,16H2,1-3H3,(H,18,19)/t13-,14+/m0/s1
Synonyms:	LP(0)PHEOMe
Definition date:	2010-10-22
Last modified:	2021-03-01
Identifier:	methyl (2S)-2-{[(R)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoate

TEF

TEF
Name:	4-(2H-tetrazol-2-yl)-L-phenylalanine
Formula:	C10 H11 N5 O2
SMILES:	O=C(O)C(N)Cc1ccc(cc1)n2ncnn2
InChi:	InChI=1S/C10H11N5O2/c11-9(10(16)17)5-7-1-3-8(4-2-7)15-13-6-12-14-15/h1-4,6,9H,5,11H2,(H,16,17)/t9-/m0/s1
Synonyms:	p-(2-tetrazolyl)-phenylalanine
Definition date:	2010-06-03
Last modified:	2021-03-01
Identifier:	4-(2H-tetrazol-2-yl)-L-phenylalanine

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

ISY

ISY
Name:	3-methylbut-3-enylsulfanyl(phosphonooxy)phosphinic acid
Formula:	C5 H12 O6 P2 S
SMILES:	O=P(O)(OP(=O)(O)SCCC(=C)C)O
InChi:	InChI=1S/C5H12O6P2S/c1-5(2)3-4-14-13(9,10)11-12(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8)
Synonyms:	Isopentyl S-Thiolodiphosphate
Definition date:	2010-11-08
Last modified:	2021-03-01
Identifier:	S-(3-methylbut-3-en-1-yl) trihydrogen thiodiphosphate

X8W

X8W
Name:	(2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
Formula:	C15 H12 O5
SMILES:	O=C(c1c(O)cc(O)cc1O)C=Cc2ccc(O)cc2
InChi:	InChI=1S/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,16-17,19-20H
Synonyms:	NARINGENIN CHALCONE
Definition date:	2014-04-24
Last modified:	2021-03-01
Release date:	2015-04-08
Identifier:	(2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one

TTF

TTF
Name:	4,4,4-TRIFLUORO-1-THIEN-2-YLBUTANE-1,3-DIONE
Formula:	C8 H5 F3 O2 S
SMILES:	O=C(c1sccc1)CC(=O)C(F)(F)F
InChi:	InChI=1S/C8H5F3O2S/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2
Synonyms:	2-THENOYLTRIFLUOROACETONE
Definition date:	2005-05-18
Last modified:	2021-03-01
Identifier:	4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione

TEX

TEX
Name:	(2S,5S)-9-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one
Formula:	C27 H39 N3 O2
SMILES:	c1cc(c3c2c1N(C)C(C(=O)NC(Cc2cn3)CO)C(C)C)C(C)([C@H]=C)CCC=C(/C)C
InChi:	InChI=1S/C27H39N3O2/c1-8-27(6,13-9-10-17(2)3)21-11-12-22-23-19(15-28-24(21)23)14-20(16-31)29-26(32)25(18(4)5)30(22)7/h8,10-12,15,18,20,25,28,31H,1,9,13-14,16H2,2-7H3,(H,29,32)/t20-,25-,27-/m0/s1
Synonyms:	Teleocidin A 1
Definition date:	2016-03-31
Last modified:	2021-03-01
Release date:	2016-09-28
Identifier:	(2S,5S)-9-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one

TTI

TTI
Name:	2'-deoxy-5-telluroxouridine 5'-(dihydrogen phosphate)
Formula:	C9 H13 N2 O8 P Te
SMILES:	[Te]=C2C(=O)NC(=O)N(C1OC(C(O)C1)COP(=O)(O)O)C2
InChi:	InChI=1S/C9H13N2O8PTe/c12-4-1-7(19-5(4)3-18-20(15,16)17)11-2-6(21)8(13)10-9(11)14/h4-5,7,12H,1-3H2,(H,10,13,14)(H2,15,16,17)/t4-,5+,7+/m0/s1
Synonyms:	5-Tellurium-deoxyuridine-5'-phosphate
Definition date:	2008-12-03
Last modified:	2021-03-01
Identifier:	2'-deoxy-5-telluroxouridine 5'-(dihydrogen phosphate)

VGL

VGL
Name:	PYRAZINE-2-CARBOXYLIC ACID
Formula:	C5 H4 N2 O2
SMILES:	O=C(O)c1nccnc1
InChi:	InChI=1S/C5H4N2O2/c8-5(9)4-3-6-1-2-7-4/h1-3H,(H,8,9)
Synonyms:	PYRAZINOIC ACID
Definition date:	2009-09-15
Last modified:	2021-03-01
Identifier:	pyrazine-2-carboxylic acid

WSK

WSK
Name:	(2S)-1-(3,6-DIBROMO-9H-CARBAZOL-9-YL)-3-(DIMETHYLAMINO)PROPAN-2-OL
Formula:	C17 H18 Br2 N2 O
SMILES:	Brc3cc2c1cc(Br)ccc1n(c2cc3)CC(O)CN(C)C
InChi:	InChI=1S/C17H18Br2N2O/c1-20(2)9-13(22)10-21-16-5-3-11(18)7-14(16)15-8-12(19)4-6-17(15)21/h3-8,13,22H,9-10H2,1-2H3/t13-/m0/s1
Synonyms:	(S)-WISKOSTATIN
Definition date:	2004-06-01
Last modified:	2021-03-01
Identifier:	(2S)-1-(3,6-dibromo-9H-carbazol-9-yl)-3-(dimethylamino)propan-2-ol

408

408
Name:	(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
Formula:	C16 H16 F3 N O
SMILES:	FC(F)(F)c2ccc(OC(c1ccccc1)CCN)cc2
InChi:	InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m1/s1
Synonyms:	(R)-Norfluoxetine
Definition date:	2014-12-22
Last modified:	2021-03-01
Release date:	2015-03-18
Identifier:	(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

Z70

Z70
Name:	(2S)-2-amino-4-(2-amino-1H-imidazol-5-yl)butanoic acid
Formula:	C7 H12 N4 O2
SMILES:	O=C(O)C(N)CCc1cnc(N)n1
InChi:	InChI=1S/C7H12N4O2/c8-5(6(12)13)2-1-4-3-10-7(9)11-4/h3,5H,1-2,8H2,(H,12,13)(H3,9,10,11)/t5-/m0/s1
Synonyms:	2-aminohomohistidine
Definition date:	2010-04-08
Last modified:	2021-03-01
Identifier:	(2S)-2-amino-4-(2-amino-1H-imidazol-5-yl)butanoic acid

VH2

VH2
Name:	N-[5-[(4-BROMOPHENYL)METHYL]-4-HYDROXY-1,3-THIAZOL-2-YL]NAPHTHALENE-1-SULFONAMIDE
Formula:	C20 H15 Br N2 O3 S2
SMILES:	Oc1nc(N[S](=O)(=O)c2cccc3ccccc23)sc1Cc4ccc(Br)cc4
InChi:	InChI=1S/C20H15BrN2O3S2/c21-15-10-8-13(9-11-15)12-17-19(24)22-20(27-17)23-28(25,26)18-7-3-5-14-4-1-2-6-16(14)18/h1-11,24H,12H2,(H,22,23)
Synonyms:	PITSTOP 2
Definition date:	2010-11-25
Last modified:	2021-03-01
Identifier:	N-[5-[(4-bromophenyl)methyl]-4-hydroxy-1,3-thiazol-2-yl]naphthalene-1-sulfonamide

ITQ

ITQ
Name:	1,2,3,4-Tetrahydrogen Staurosporine
Formula:	C28 H28 N4 O3
SMILES:	O=C4N=Cc3c2c1ccccc1n7c2c5n(c6c(c5c34)CCCC6)C8OC7(C)C(OC)C(NC)C8
InChi:	InChI=1S/C28H28N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h5,7,9,11,13,17,20,26,29H,4,6,8,10,12H2,1-3H3/t17-,20-,26-,28+/m1/s1
Synonyms:	Staurosporine Analogue - AFN941
Definition date:	2013-03-14
Last modified:	2021-03-01
Release date:	2013-03-27
Identifier:	(5S,6R,7R,9R)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,10,11,12,13-octahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one

XPG

XPG
Name:	7-[(1R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]heptanoic acid
Formula:	C20 H34 O5
SMILES:	O=C(O)CCCCCCC1C(=O)CC(O)C1/C=C/C(O)CCCCC
InChi:	InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1
Synonyms:	Prostaglandin E1
Definition date:	2013-09-17
Last modified:	2021-03-01
Release date:	2014-09-10
Identifier:	(11alpha,12alpha,13E,15S)-11,15-dihydroxy-9-oxoprost-13-en-1-oic acid

SN6

SN6
Name:	1-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUM
Formula:	C29 H27 N5 O
SMILES:	O=C(Nc2ccc(Nc1cc[n+](cc1)C)cc2)c3ccc(cc3)Nc5c4c(cccc4)[n+](cc5)C
InChi:	InChI=1S/C29H25N5O/c1-33-18-15-25(16-19-33)30-22-11-13-24(14-12-22)32-29(35)21-7-9-23(10-8-21)31-27-17-20-34(2)28-6-4-3-5-26(27)28/h3-20H,1-2H3,(H,32,35)/p+2
Synonyms:	SN6999
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	1-methyl-4-{[4-({4-[(1-methylpyridinium-4-yl)amino]phenyl}carbamoyl)phenyl]amino}quinolinium

SN7

SN7
Name:	4-[4-[2-AMINO-4-[4,6-(N-METHYLQUINOLINIUM)AMINO]BENZAMIDO]ANILINO]-N-METHYLPYRIDINIUM MESYLATE
Formula:	C29 H29 N7 O
SMILES:	O=C(Nc2ccc(Nc1cc[n+](cc1)C)cc2)c3ccc(cc3N)Nc5c4c(ccc(c4)N)[n+](cc5)C
InChi:	InChI=1S/C29H27N7O/c1-35-14-11-22(12-15-35)32-20-4-6-21(7-5-20)34-29(37)24-9-8-23(18-26(24)31)33-27-13-16-36(2)28-10-3-19(30)17-25(27)28/h3-18H,30H2,1-2H3,(H3,31,34,37)/p+2
Synonyms:	SN7167
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	6-amino-4-{[3-amino-4-({4-[(1-methylpyridinium-4-yl)amino]phenyl}carbamoyl)phenyl]amino}-1-methylquinolinium

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

SNI

SNI
Name:	9-(3,4-DIHYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-2-YL)-1,9-DIHYDRO-PURINE-6-THIONE
Formula:	C10 H12 N4 O4 Se
SMILES:	[Se]=C1c2ncn(c2N=CN1)C3OC(C(O)C3O)CO
InChi:	InChI=1S/C10H12N4O4Se/c15-1-4-6(16)7(17)10(18-4)14-3-13-5-8(14)11-2-12-9(5)19/h2-4,6-7,10,15-17H,1H2,(H,11,12,19)/t4-,6-,7-,10-/m1/s1
Synonyms:	SELENOINOSINE
Definition date:	2004-02-25
Last modified:	2021-03-01
Identifier:	9-beta-D-ribofuranosyl-1,9-dihydro-6H-purine-6-selone

YOL

YOL
Name:	[[2,2'-[4-CARBOXY-1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-)-N,N',O,O']-IRON
Formula:	C21 H14 Fe N2 O4
SMILES:	O=C(O)c6ccc1c([N+]4=Cc5ccccc5O[Fe]24Oc3c(C=[N+]12)cccc3)c6
InChi:	InChI=1S/C21H16N2O4.Fe/c24-19-7-3-1-5-15(19)12-22-17-10-9-14(21(26)27)11-18(17)23-13-16-6-2-4-8-20(16)25
Synonyms:	SALOPHEN-10-CARBOXYLATE IRON CHELATE
Definition date:	2005-03-09
Last modified:	2021-03-01
Identifier:	[3,4-bis({[2-(hydroxy-kappaO)phenyl]methylidene}amino-kappaN)benzoato(2-)]iron(2+)

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