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91A

91A
Name:	6-[(2R)-1-amino-4-methylpentan-2-yl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one
Formula:	C18 H23 N3 O S
SMILES:	C(C(N2CCc3c(c1cccnc1)csc3C2=O)CN)C(C)C
InChi:	InChI=1S/C18H23N3OS/c1-12(2)8-14(9-19)21-7-5-15-16(11-23-17(15)18(21)22)13-4-3-6-20-10-13/h3-4,6,10-12,14H,5,7-9,19H2,1-2H3/t14-/m1/s1
Definition date:	2017-03-27
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	6-[(2R)-1-amino-4-methylpentan-2-yl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one

DO6

DO6
Name:	(6-methoxy-2-methyl-7-oxidanyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
Formula:	C20 H20 O7
SMILES:	COc1ccc2c(oc(C)c2C(=O)c3cc(OC)c(OC)c(OC)c3)c1O
InChi:	InChI=1S/C20H20O7/c1-10-16(12-6-7-13(23-2)18(22)19(12)27-10)17(21)11-8-14(24-3)20(26-5)15(9-11)25-4/h6-9,22H,1-5H3
Definition date:	2019-08-16
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	(6-methoxy-2-methyl-7-oxidanyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone

M9Z

M9Z
Name:	~{N}-[6-[3-[4-(aminomethyl)-1,2,3-triazol-1-yl]propylamino]-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide
Formula:	C24 H28 N8 O4 S
SMILES:	CN(C1=C(NCCCn2cc(CN)nn2)N(Cc3ccccc3)C(=O)NC1=O)[S](=O)(=O)c4ccccc4
InChi:	InChI=1S/C24H28N8O4S/c1-30(37(35,36)20-11-6-3-7-12-20)21-22(26-13-8-14-31-17-19(15-25)28-29-31)32(24(34)27-23(21)33)16-18-9-4-2-5-10-18/h2-7,9-12,17,26H,8,13-16,25H2,1H3,(H,27,33,34)
Definition date:	2019-10-10
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	~{N}-[6-[3-[4-(aminomethyl)-1,2,3-triazol-1-yl]propylamino]-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide

MBK

MBK
Name:	~{N}-[6-(4-azanylbutylamino)-1-[(4-bromophenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide
Formula:	C22 H26 Br N5 O4 S
SMILES:	CN(C1=C(NCCCCN)N(Cc2ccc(Br)cc2)C(=O)NC1=O)[S](=O)(=O)c3ccccc3
InChi:	InChI=1S/C22H26BrN5O4S/c1-27(33(31,32)18-7-3-2-4-8-18)19-20(25-14-6-5-13-24)28(22(30)26-21(19)29)15-16-9-11-17(23)12-10-16/h2-4,7-12,25H,5-6,13-15,24H2,1H3,(H,26,29,30)
Definition date:	2019-10-10
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	~{N}-[6-(4-azanylbutylamino)-1-[(4-bromophenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide

MJW

MJW
Name:	2-phenylmethoxyaniline
Formula:	C13 H13 N O
SMILES:	Nc1ccccc1OCc2ccccc2
InChi:	InChI=1S/C13H13NO/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9H,10,14H2
Definition date:	2019-10-16
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	2-phenylmethoxyaniline

MKN

MKN
Name:	3-(5-thiophen-2-ylthiophen-2-yl)-1~{H}-pyrazole
Formula:	C11 H8 N2 S2
SMILES:	[nH]1ccc(n1)c2sc(cc2)c3sccc3
InChi:	InChI=1S/C11H8N2S2/c1-2-10(14-7-1)11-4-3-9(15-11)8-5-6-12-13-8/h1-7H,(H,12,13)
Definition date:	2019-10-17
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	3-(5-thiophen-2-ylthiophen-2-yl)-1~{H}-pyrazole

MQB

MQB
Name:	2-(1-benzofuran-3-yl)ethanoic acid
Formula:	C10 H8 O3
SMILES:	OC(=O)Cc1coc2ccccc12
InChi:	InChI=1S/C10H8O3/c11-10(12)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6H,5H2,(H,11,12)
Definition date:	2019-10-21
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	2-(1-benzofuran-3-yl)ethanoic acid

MUK

MUK
Name:	4,6-dimethyl-~{N}-phenyl-pyrimidin-2-amine
Formula:	C12 H13 N3
SMILES:	Cc1cc(C)nc(Nc2ccccc2)n1
InChi:	InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)
Definition date:	2019-10-24
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	4,6-dimethyl-~{N}-phenyl-pyrimidin-2-amine

MZW

MZW
Name:	5-ethyl-1,3,4-thiadiazol-2-amine
Formula:	C4 H7 N3 S
SMILES:	CCc1sc(N)nn1
InChi:	InChI=1S/C4H7N3S/c1-2-3-6-7-4(5)8-3/h2H2,1H3,(H2,5,7)
Definition date:	2019-10-30
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	5-ethyl-1,3,4-thiadiazol-2-amine

N0E

N0E
Name:	~{N}-(4-hydroxyphenyl)-3-phenyl-propanamide
Formula:	C15 H15 N O2
SMILES:	Oc1ccc(NC(=O)CCc2ccccc2)cc1
InChi:	InChI=1S/C15H15NO2/c17-14-9-7-13(8-10-14)16-15(18)11-6-12-4-2-1-3-5-12/h1-5,7-10,17H,6,11H2,(H,16,18)
Definition date:	2019-11-04
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	~{N}-(4-hydroxyphenyl)-3-phenyl-propanamide

N0H

N0H
Name:	~{N}-(2-hydroxyphenyl)-2-phenoxy-ethanamide
Formula:	C14 H13 N O3
SMILES:	Oc1ccccc1NC(=O)COc2ccccc2
InChi:	InChI=1S/C14H13NO3/c16-13-9-5-4-8-12(13)15-14(17)10-18-11-6-2-1-3-7-11/h1-9,16H,10H2,(H,15,17)
Definition date:	2019-11-04
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	~{N}-(2-hydroxyphenyl)-2-phenoxy-ethanamide

N0K

N0K
Name:	5-[ethyl(methyl)amino]-~{N}-[6-[[(1~{S},2~{R},3~{S},4~{R})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide
Formula:	C24 H37 N3 O5 S
SMILES:	CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCCN[CH]3C[CH](O)[CH](O)[CH]3CO
InChi:	InChI=1S/C24H37N3O5S/c1-27(2)21-11-7-10-18-17(21)9-8-12-23(18)33(31,32)26-14-6-4-3-5-13-25-20-15-22(29)24(30)19(20)16-28/h7-12,19-20,22,24-26,28-30H,3-6,13-16H2,1-2H3/t19-,20-,22+,24-/m0/s1
Definition date:	2019-11-04
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	5-(dimethylamino)-~{N}-[6-[[(1~{S},2~{R},3~{S},4~{R})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide

N0N

N0N
Name:	5-(dimethylamino)-~{N}-[6-[[(1~{R},2~{R},3~{S},4~{S},5~{S})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide
Formula:	C24 H37 N3 O6 S
SMILES:	CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCCN[CH]3[CH](O)[CH](O)[CH](O)[CH]3CO
InChi:	InChI=1S/C24H37N3O6S/c1-27(2)19-11-7-10-17-16(19)9-8-12-20(17)34(32,33)26-14-6-4-3-5-13-25-21-18(15-28)22(29)24(31)23(21)30/h7-12,18,21-26,28-31H,3-6,13-15H2,1-2H3/t18-,21+,22-,23-,24-/m0/s1
Definition date:	2019-11-04
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	5-(dimethylamino)-~{N}-[6-[[(1~{R},2~{R},3~{S},4~{S},5~{S})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide

N0Q

N0Q
Name:	5-(dimethylamino)-~{N}-[6-[(2~{R},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide
Formula:	C24 H37 N3 O5 S
SMILES:	CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCC[CH]3NC[CH](O)[CH](O)[CH]3CO
InChi:	InChI=1S/C24H37N3O5S/c1-27(2)21-12-7-10-18-17(21)9-8-13-23(18)33(31,32)26-14-6-4-3-5-11-20-19(16-28)24(30)22(29)15-25-20/h7-10,12-13,19-20,22,24-26,28-30H,3-6,11,14-16H2,1-2H3/t19-,20+,22+,24-/m0/s1
Definition date:	2019-11-04
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	5-(dimethylamino)-~{N}-[6-[(2~{R},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide

N0T

N0T
Name:	(1~{S},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-5-(octylamino)cyclopentane-1,2,3-triol
Formula:	C14 H29 N O4
SMILES:	CCCCCCCCN[CH]1[CH](O)[CH](O)[CH](O)[CH]1CO
InChi:	InChI=1S/C14H29NO4/c1-2-3-4-5-6-7-8-15-11-10(9-16)12(17)14(19)13(11)18/h10-19H,2-9H2,1H3/t10-,11+,12-,13-,14-/m0/s1
Definition date:	2019-11-04
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	(1~{S},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-5-(octylamino)cyclopentane-1,2,3-triol

N0W

N0W
Name:	5-(dimethylamino)-~{N}-[6-[(2~{S},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide
Formula:	C24 H37 N3 O5 S
SMILES:	CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCC[CH]3NC[CH](O)[CH](O)[CH]3CO
InChi:	InChI=1S/C24H37N3O5S/c1-27(2)21-12-7-10-18-17(21)9-8-13-23(18)33(31,32)26-14-6-4-3-5-11-20-19(16-28)24(30)22(29)15-25-20/h7-10,12-13,19-20,22,24-26,28-30H,3-6,11,14-16H2,1-2H3/t19-,20-,22+,24-/m0/s1
Definition date:	2019-11-04
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	5-(dimethylamino)-~{N}-[6-[(2~{S},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide

X99

X99
Name:	2-{3-[(2S)-4,4-difluoro-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-3-oxopropyl}-isoindole-1,3(2H)-dione
Formula:	C20 H21 F2 N3 O4
SMILES:	FC4(F)CC(C(=O)N1CCCC1)N(C(=O)CCN3C(=O)c2ccccc2C3=O)C4
InChi:	InChI=1S/C20H21F2N3O4/c21-20(22)11-15(19(29)23-8-3-4-9-23)25(12-20)16(26)7-10-24-17(27)13-5-1-2-6-14(13)18(24)28/h1-2,5-6,15H,3-4,7-12H2/t15-/m0/s1
Definition date:	2008-10-09
Last modified:	2020-08-12
Identifier:	2-{3-[(2S)-4,4-difluoro-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-3-oxopropyl}-1H-isoindole-1,3(2H)-dione

ROC

ROC
Name:	(2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide
Formula:	C38 H50 N6 O5
SMILES:	O=C(N)CC(NC(=O)c1nc2c(cc1)cccc2)C(=O)NC(Cc3ccccc3)C(O)CN5C(C(=O)NC(C)(C)C)CC4C(CCCC4)C5
InChi:	InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1
Synonyms:	Fortovase
Definition date:	2000-01-04
Last modified:	2020-08-12
Identifier:	N~1~-{(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-yl}-N~2~-(quinolin-2-ylcarbonyl)-L-aspartamide

TWG

TWG
Name:	6-thio-alpha-D-mannopyranose
Formula:	C6 H12 O5 S
SMILES:	C1(OC(C(C(C1O)O)O)CS)O
InChi:	InChI=1S/C6H12O5S/c7-3-2(1-12)11-6(10)5(9)4(3)8/h2-10,12H,1H2/t2-,3-,4+,5+,6+/m1/s1
Definition date:	2020-04-01
Last modified:	2020-08-11
Release date:	2020-07-29
Identifier:	6-thio-alpha-D-mannopyranose

RV7

RV7
Name:	4-amino-4,6-dideoxy-alpha-D-glucopyranose
Formula:	C6 H13 N O4
SMILES:	C1(OC(C(C(C1O)O)N)C)O
InChi:	InChI=1S/C6H13NO4/c1-2-3(7)4(8)5(9)6(10)11-2/h2-6,8-10H,7H2,1H3/t2-,3-,4+,5-,6+/m1/s1
Definition date:	2020-02-26
Last modified:	2020-08-11
Release date:	2020-07-29
Identifier:	4-amino-4,6-dideoxy-alpha-D-glucopyranose

YJM

YJM
Name:	2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose
Formula:	C6 H13 N O11 S2
SMILES:	C1(O)C(NS(O)(=O)=O)C(O)C(C(O1)COS(=O)(O)=O)O
InChi:	InChI=1S/C6H13NO11S2/c8-4-2(1-17-20(14,15)16)18-6(10)3(5(4)9)7-19(11,12)13/h2-10H,1H2,(H,11,12,13)(H,14,15,16)/t2-,3-,4-,5-,6+/m1/s1
Synonyms:	2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucose
Definition date:	2016-08-25
Last modified:	2020-08-11
Release date:	2018-02-21
Identifier:	2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose

GPO

GPO
Name:	4-O-phosphono-D-glycero-beta-D-manno-heptopyranose
Formula:	C7 H15 O10 P
SMILES:	O=P(O)(O)OC1C(OC(O)C(O)C1O)C(O)CO
InChi:	InChI=1S/C7H15O10P/c8-1-2(9)5-6(17-18(13,14)15)3(10)4(11)7(12)16-5/h2-12H,1H2,(H2,13,14,15)/t2-,3-,4+,5-,6+,7-/m1/s1
Synonyms:	4-O-phosphono-D-glycero-beta-D-manno-heptose
Definition date:	2008-03-28
Last modified:	2020-08-11
Identifier:	4-O-phosphono-D-glycero-beta-D-manno-heptopyranose

L1L

L1L
Name:	2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose
Formula:	C6 H14 N O8 P
SMILES:	N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P](O)(O)=O
InChi:	InChI=1S/C6H14NO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6-/m1/s1
Synonyms:	[(2R,3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] dihydrogen phosphate
Definition date:	2016-02-09
Last modified:	2020-08-11
Release date:	2016-08-10
Identifier:	[(2R,3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] dihydrogen phosphate

V1P

V1P
Name:	5-{(1S)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1H-imidazole-4-carboxamide
Formula:	C24 H35 N5 O4
SMILES:	O=C(C1CN(C)C1)NC(CCCCCC(CC)(O)O)c3nc(c2ccccc2)nc3C(N)=O
InChi:	InChI=1S/C24H35N5O4/c1-3-24(32,33)13-9-5-8-12-18(26-23(31)17-14-29(2)15-17)19-20(21(25)30)28-22(27-19)16-10-6-4-7-11-16/h4,6-7,10-11,17-18,32-33H,3,5,8-9,12-15H2,1-2H3,(H2,25,30)(H,26,31)(H,27,28)/t18-/m0/s1
Definition date:	2020-06-15
Last modified:	2020-08-07
Release date:	2020-08-12
Identifier:	5-{(1S)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1H-imidazole-4-carboxamide

V1S

V1S
Name:	(1S)-N-{(1S)-1-[5-cyano-2-(4-fluorophenyl)-1H-imidazol-4-yl]-7,7-dihydroxynonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide
Formula:	C28 H38 F N5 O3
SMILES:	N#Cc1c(nc(n1)c2ccc(cc2)F)C(NC(C4C3(CCN(C)CC3)C4)=O)CCCCCC(CC)(O)O
InChi:	InChI=1S/C28H38FN5O3/c1-3-28(36,37)12-6-4-5-7-22(32-26(35)21-17-27(21)13-15-34(2)16-14-27)24-23(18-30)31-25(33-24)19-8-10-20(29)11-9-19/h8-11,21-22,36-37H,3-7,12-17H2,1-2H3,(H,31,33)(H,32,35)/t21-,22+/m1/s1
Definition date:	2020-06-15
Last modified:	2020-08-07
Release date:	2020-08-12
Identifier:	(1S)-N-{(1S)-1-[5-cyano-2-(4-fluorophenyl)-1H-imidazol-4-yl]-7,7-dihydroxynonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide

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245011

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