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QEY

QEY
Name:	methyl [(3R,7S)-7-{[5-amino-1-(3-chloro-2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate
Formula:	C30 H29 Cl F N7 O4
SMILES:	C2(C(CCCC(c3cc(c1c(cc(cc1)NC(OC)=O)N2)ccn3)NC(=O)c5c(n(c4c(c(Cl)ccc4)F)nc5)N)C)=O
InChi:	InChI=1S/C30H29ClFN7O4/c1-16-5-3-7-22(37-29(41)20-15-35-39(27(20)33)25-8-4-6-21(31)26(25)32)24-13-17(11-12-34-24)19-10-9-18(36-30(42)43-2)14-23(19)38-28(16)40/h4,6,8-16,22H,3,5,7,33H2,1-2H3,(H,36,42)(H,37,41)(H,38,40)/t16-,22+/m1/s1
Definition date:	2019-10-18
Last modified:	2019-12-20
Release date:	2019-12-25
Identifier:	methyl [(3R,7S)-7-{[5-amino-1-(3-chloro-2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate

HW2

HW2
Name:	isoquercetin
Formula:	C21 H20 O12
SMILES:	OC[CH]1O[CH](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1
Definition date:	2018-12-28
Last modified:	2019-12-20
Release date:	2019-12-25
Identifier:	2-[3,4-bis(oxidanyl)phenyl]-3-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one

HWB

HWB
Name:	cyanidin
Formula:	C15 H11 O6
SMILES:	Oc1cc(O)c2cc(O)c([o+]c2c1)c3ccc(O)c(O)c3
InChi:	InChI=1S/C15H10O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-6H,(H4-,16,17,18,19,20)/p+1
Definition date:	2018-12-29
Last modified:	2019-12-20
Release date:	2019-12-25
Identifier:	2-[3,4-bis(oxidanyl)phenyl]chromenylium-3,5,7-triol

9JY

9JY
Name:	(2S)-3-[(3S)-1-(ethylsulfonyl)piperidin-3-yl]-2-{[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino}propan-1-ol
Formula:	C23 H31 N5 O3 S
SMILES:	C(S(=O)(=O)N1CCCC(C1)CC(Nc2c4n(ccn2)c(c3ccc(cc3)C)cn4)CO)C
InChi:	InChI=1S/C23H31N5O3S/c1-3-32(30,31)27-11-4-5-18(15-27)13-20(16-29)26-22-23-25-14-21(28(23)12-10-24-22)19-8-6-17(2)7-9-19/h6-10,12,14,18,20,29H,3-5,11,13,15-16H2,1-2H3,(H,24,26)/t18-,20-/m0/s1
Definition date:	2017-05-16
Last modified:	2019-12-20
Release date:	2019-12-25
Identifier:	(2S)-3-[(3S)-1-(ethylsulfonyl)piperidin-3-yl]-2-{[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino}propan-1-ol

9K1

9K1
Name:	(2S)-2-{[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino}-3-(pyridin-3-yl)propan-1-ol
Formula:	C21 H21 N5 O
SMILES:	c31n(ccnc1NC(Cc2cccnc2)CO)c(cn3)c4ccc(C)cc4
InChi:	InChI=1S/C21H21N5O/c1-15-4-6-17(7-5-15)19-13-24-21-20(23-9-10-26(19)21)25-18(14-27)11-16-3-2-8-22-12-16/h2-10,12-13,18,27H,11,14H2,1H3,(H,23,25)/t18-/m0/s1
Definition date:	2017-05-16
Last modified:	2019-12-20
Release date:	2019-12-25
Identifier:	(2S)-2-{[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino}-3-(pyridin-3-yl)propan-1-ol

OZG

OZG
Name:	[6-(3-methoxyphenoxy)-1-benzofuran-3-yl]acetic acid
Formula:	C17 H14 O5
SMILES:	c2c(cc1c(c(CC(O)=O)co1)c2)Oc3cc(OC)ccc3
InChi:	InChI=1S/C17H14O5/c1-20-12-3-2-4-13(8-12)22-14-5-6-15-11(7-17(18)19)10-21-16(15)9-14/h2-6,8-10H,7H2,1H3,(H,18,19)
Definition date:	2019-07-22
Last modified:	2019-12-20
Release date:	2019-12-25
Identifier:	[6-(3-methoxyphenoxy)-1-benzofuran-3-yl]acetic acid

OZM

OZM
Name:	(6-benzyl-1-benzofuran-3-yl)acetic acid
Formula:	C17 H14 O3
SMILES:	C(c1ccc2c(CC(O)=O)coc2c1)c3ccccc3
InChi:	InChI=1S/C17H14O3/c18-17(19)10-14-11-20-16-9-13(6-7-15(14)16)8-12-4-2-1-3-5-12/h1-7,9,11H,8,10H2,(H,18,19)
Definition date:	2019-07-22
Last modified:	2019-12-20
Release date:	2019-12-25
Identifier:	(6-benzyl-1-benzofuran-3-yl)acetic acid

M0M

M0M
Name:	(8S)-1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,7,8,9-hexahydro-2H-purin-2-one
Formula:	C13 H21 N5 O2 S2
SMILES:	C1COCCN1CCSC3NC2=C(C(N(C(=O)N2C)C)=S)N3
InChi:	InChI=1S/C13H21N5O2S2/c1-16-10-9(11(21)17(2)13(16)19)14-12(15-10)22-8-5-18-3-6-20-7-4-18/h12,14-15H,3-8H2,1-2H3/t12-/m0/s1
Definition date:	2019-03-18
Last modified:	2019-12-20
Release date:	2019-12-25
Identifier:	(8S)-1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,7,8,9-hexahydro-2H-purin-2-one

M0P

M0P
Name:	1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Formula:	C13 H19 N5 O3 S
SMILES:	C1COCCN1CCSc3nc2c(C(N(C(N2C)=O)C)=O)n3
InChi:	InChI=1S/C13H19N5O3S/c1-16-10-9(11(19)17(2)13(16)20)14-12(15-10)22-8-5-18-3-6-21-7-4-18/h3-8H2,1-2H3,(H,14,15)
Definition date:	2019-03-18
Last modified:	2019-12-20
Release date:	2019-12-25
Identifier:	1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione

M0S

M0S
Name:	1,3-dimethyl-8-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,9-tetrahydro-2H-purin-2-one
Formula:	C13 H19 N5 O S2
SMILES:	c12C(N(C(=O)N(C)c1nc(n2)SCCN3CCCC3)C)=S
InChi:	InChI=1S/C13H19N5OS2/c1-16-10-9(11(20)17(2)13(16)19)14-12(15-10)21-8-7-18-5-3-4-6-18/h3-8H2,1-2H3,(H,14,15)
Definition date:	2019-03-18
Last modified:	2019-12-20
Release date:	2019-12-25
Identifier:	1,3-dimethyl-8-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,9-tetrahydro-2H-purin-2-one

M0V

M0V
Name:	7-[(2S)-2-hydroxy-3-(morpholin-4-yl)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Formula:	C14 H21 N5 O4
SMILES:	O=C2N(C)C(=O)c3n(CC(O)CN1CCOCC1)cnc3N2C
InChi:	InChI=1S/C14H21N5O4/c1-16-12-11(13(21)17(2)14(16)22)19(9-15-12)8-10(20)7-18-3-5-23-6-4-18/h9-10,20H,3-8H2,1-2H3/t10-/m0/s1
Definition date:	2019-03-18
Last modified:	2019-12-20
Release date:	2019-12-25
Identifier:	7-[(2S)-2-hydroxy-3-(morpholin-4-yl)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

M1D

M1D
Name:	4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)butanoic acid
Formula:	C11 H14 N4 O4
SMILES:	O=C1N(C(=O)c2c(N1C)ncn2CCCC(O)=O)C
InChi:	InChI=1S/C11H14N4O4/c1-13-9-8(10(18)14(2)11(13)19)15(6-12-9)5-3-4-7(16)17/h6H,3-5H2,1-2H3,(H,16,17)
Definition date:	2019-03-18
Last modified:	2019-12-20
Release date:	2019-12-25
Identifier:	4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)butanoic acid

M3B

M3B
Name:	(1~{S})-~{N}'-(4-azanylbutyl)-~{N}"-(2-methoxyethyl)methanetriamine
Formula:	C8 H22 N4 O
SMILES:	COCCN[CH](N)NCCCCN
InChi:	InChI=1S/C8H22N4O/c1-13-7-6-12-8(10)11-5-3-2-4-9/h8,11-12H,2-7,9-10H2,1H3/t8-/m0/s1
Definition date:	2019-10-02
Last modified:	2019-12-20
Release date:	2019-12-25
Identifier:	(1~{S})-~{N}'-(4-azanylbutyl)-~{N}"-(2-methoxyethyl)methanetriamine

A6Y

A6Y
Name:	(S)-{1-[(2,5-dimethylphenyl)methyl]-1H-benzimidazol-2-yl}(pyridin-4-yl)methanol
Formula:	C22 H21 N3 O
SMILES:	c1cccc3c1n(Cc2c(ccc(c2)C)C)c(n3)C(O)c4ccncc4
InChi:	InChI=1S/C22H21N3O/c1-15-7-8-16(2)18(13-15)14-25-20-6-4-3-5-19(20)24-22(25)21(26)17-9-11-23-12-10-17/h3-13,21,26H,14H2,1-2H3/t21-/m0/s1
Definition date:	2017-07-08
Last modified:	2019-12-20
Release date:	2019-12-25
Identifier:	(S)-{1-[(2,5-dimethylphenyl)methyl]-1H-benzimidazol-2-yl}(pyridin-4-yl)methanol

A7A

A7A
Name:	(R)-{1-[(2,5-dimethylphenyl)methyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-2-yl}(pyridin-4-yl)methanol
Formula:	C26 H25 N5 O
SMILES:	OC(c1n(c2c(n1)ccc(c2)c3cnn(c3)C)Cc4c(ccc(c4)C)C)c5ccncc5
InChi:	InChI=1S/C26H25N5O/c1-17-4-5-18(2)21(12-17)16-31-24-13-20(22-14-28-30(3)15-22)6-7-23(24)29-26(31)25(32)19-8-10-27-11-9-19/h4-15,25,32H,16H2,1-3H3/t25-/m1/s1
Definition date:	2017-07-08
Last modified:	2019-12-20
Release date:	2019-12-25
Identifier:	(R)-{1-[(2,5-dimethylphenyl)methyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-2-yl}(pyridin-4-yl)methanol

A7M

A7M
Name:	{1-[(2,5-dimethylphenyl)methyl]-1H-benzimidazol-2-yl}methanol
Formula:	C17 H18 N2 O
SMILES:	c3(Cn1c(CO)nc2ccccc12)cc(C)ccc3C
InChi:	InChI=1S/C17H18N2O/c1-12-7-8-13(2)14(9-12)10-19-16-6-4-3-5-15(16)18-17(19)11-20/h3-9,20H,10-11H2,1-2H3
Definition date:	2017-07-08
Last modified:	2019-12-20
Release date:	2019-12-25
Identifier:	{1-[(2,5-dimethylphenyl)methyl]-1H-benzimidazol-2-yl}methanol

P4S

P4S
Name:	(3beta,5beta,14alpha,15beta)-3,5-dihydroxy-14,15-epoxybufa-20,22-dienolide
Formula:	C24 H32 O5
SMILES:	C12(C)CCC(CC1(O)CCC6C2CCC4(C(C3=COC(=O)C=C3)CC5C46O5)C)O
InChi:	InChI=1S/C24H32O5/c1-21-8-5-15(25)12-23(21,27)10-7-17-16(21)6-9-22(2)18(11-19-24(17,22)29-19)14-3-4-20(26)28-13-14/h3-4,13,15-19,25,27H,5-12H2,1-2H3/t15-,16-,17+,18+,19+,21+,22+,23-,24+/m0/s1
Definition date:	2019-07-30
Last modified:	2019-12-20
Release date:	2019-12-25
Identifier:	(3beta,5beta,14alpha,15beta)-3,5-dihydroxy-14,15-epoxybufa-20,22-dienolide

P57

P57
Name:	3-[(1H-imidazol-1-yl)methyl]-2-phenyl-1H-indole
Formula:	C18 H15 N3
SMILES:	c1cccc3c1c(Cn2cncc2)c(n3)c4ccccc4
InChi:	InChI=1S/C18H15N3/c1-2-6-14(7-3-1)18-16(12-21-11-10-19-13-21)15-8-4-5-9-17(15)20-18/h1-11,13,20H,12H2
Definition date:	2019-07-31
Last modified:	2019-12-20
Release date:	2019-12-25
Identifier:	3-[(1H-imidazol-1-yl)methyl]-2-phenyl-1H-indole

P5G

P5G
Name:	4,4'-[(3R,4R)-oxolane-3,4-diylbis(methylene)]bis(2-methoxyphenol)
Formula:	C20 H24 O5
SMILES:	c1(ccc(O)c(c1)OC)CC2COCC2Cc3cc(c(cc3)O)OC
InChi:	InChI=1S/C20H24O5/c1-23-19-9-13(3-5-17(19)21)7-15-11-25-12-16(15)8-14-4-6-18(22)20(10-14)24-2/h3-6,9-10,15-16,21-22H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1
Definition date:	2019-07-31
Last modified:	2019-12-20
Release date:	2019-12-25
Identifier:	4,4'-[(3R,4R)-oxolane-3,4-diylbis(methylene)]bis(2-methoxyphenol)

B5C

B5C
Name:	2-oxo-2H-1,3-benzoxathiol-5-yl acetate
Formula:	C9 H6 O4 S
SMILES:	C2(Sc1cc(OC(C)=O)ccc1O2)=O
InChi:	InChI=1S/C9H6O4S/c1-5(10)12-6-2-3-7-8(4-6)14-9(11)13-7/h2-4H,1H3
Definition date:	2019-01-15
Last modified:	2019-12-20
Release date:	2019-12-25
Identifier:	2-oxo-2H-1,3-benzoxathiol-5-yl acetate

PW7

PW7
Name:	4-(trifluoromethyl)pyrimidin-2-amine
Formula:	C5 H4 F3 N3
SMILES:	Nc1nc(ccn1)C(F)(F)F
InChi:	InChI=1S/C5H4F3N3/c6-5(7,8)3-1-2-10-4(9)11-3/h1-2H,(H2,9,10,11)
Definition date:	2019-08-27
Last modified:	2019-12-20
Release date:	2019-12-25
Identifier:	4-(trifluoromethyl)pyrimidin-2-amine

PWG

PWG
Name:	3-(difluoromethyl)-8-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridine
Formula:	C8 H4 F5 N3
SMILES:	n2c1c(C(F)(F)F)cccn1c(n2)C(F)F
InChi:	InChI=1S/C8H4F5N3/c9-5(10)7-15-14-6-4(8(11,12)13)2-1-3-16(6)7/h1-3,5H
Definition date:	2019-08-27
Last modified:	2019-12-20
Release date:	2019-12-25
Identifier:	3-(difluoromethyl)-8-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridine

PWJ

PWJ
Name:	8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carbonitrile
Formula:	C9 H3 Cl F3 N3
SMILES:	n21c(ncc1)c(c(c(c2)C(F)(F)F)C#N)Cl
InChi:	InChI=1S/C9H3ClF3N3/c10-7-5(3-14)6(9(11,12)13)4-16-2-1-15-8(7)16/h1-2,4H
Definition date:	2019-08-27
Last modified:	2019-12-20
Release date:	2019-12-25
Identifier:	8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carbonitrile

PWM

PWM
Name:	5-fluoroquinazolin-4(3H)-one
Formula:	C8 H5 F N2 O
SMILES:	N1C(=O)c2c(N=C1)cccc2F
InChi:	InChI=1S/C8H5FN2O/c9-5-2-1-3-6-7(5)8(12)11-4-10-6/h1-4H,(H,10,11,12)
Definition date:	2019-08-27
Last modified:	2019-12-20
Release date:	2019-12-25
Identifier:	5-fluoroquinazolin-4(3H)-one

PWP

PWP
Name:	6-fluoroquinazolin-4(3H)-one
Formula:	C8 H5 F N2 O
SMILES:	N2C(c1cc(F)ccc1N=C2)=O
InChi:	InChI=1S/C8H5FN2O/c9-5-1-2-7-6(3-5)8(12)11-4-10-7/h1-4H,(H,10,11,12)
Definition date:	2019-08-27
Last modified:	2019-12-20
Release date:	2019-12-25
Identifier:	6-fluoroquinazolin-4(3H)-one

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