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R44

R44
Name:	1-({7-[(2R)-5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl}methyl)-1H-pyrrole-2,5-dione
Formula:	C25 H23 Cl N4 O4 S
SMILES:	c1(Cl)cc(c2c(c1)CC(O2)C(N3CCNCC3)=O)c5ccnc6cc(CN4C(=O)CCC4=O)sc56
InChi:	InChI=1S/C25H23ClN4O4S/c26-15-9-14-10-20(25(33)29-7-5-27-6-8-29)34-23(14)18(11-15)17-3-4-28-19-12-16(35-24(17)19)13-30-21(31)1-2-22(30)32/h3-4,9,11-12,20,27H,1-2,5-8,10,13H2/t20-/m1/s1
Definition date:	2020-01-29
Last modified:	2020-06-08
Release date:	2020-04-29
Identifier:	1-({7-[(2R)-5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl}methyl)pyrrolidine-2,5-dione

VSK

VSK
Name:	(2~{S})-2-azanyl-3-(1~{H}-indol-3-yl)-~{N}-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
Formula:	C22 H27 N3 O
SMILES:	Cc1cc(C)c(CCNC(=O)[CH](N)Cc2c[nH]c3ccccc23)c(C)c1
InChi:	InChI=1S/C22H27N3O/c1-14-10-15(2)18(16(3)11-14)8-9-24-22(26)20(23)12-17-13-25-21-7-5-4-6-19(17)21/h4-7,10-11,13,20,25H,8-9,12,23H2,1-3H3,(H,24,26)/t20-/m0/s1
Synonyms:	VSK-B24
Definition date:	2017-07-21
Last modified:	2020-06-05
Release date:	2018-09-12
Identifier:	(2~{S})-2-azanyl-3-(1~{H}-indol-3-yl)-~{N}-[2-(2,4,6-trimethylphenyl)ethyl]propanamide

CKU

CKU
Name:	(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)-1-propyl-piperidine-3-carboxylic acid
Formula:	C9 H17 N O4
SMILES:	CCCN1C[CH](O)[CH](O)[CH](C1)C(O)=O
InChi:	InChI=1S/C9H17NO4/c1-2-3-10-4-6(9(13)14)8(12)7(11)5-10/h6-8,11-12H,2-5H2,1H3,(H,13,14)/t6-,7+,8+/m0/s1
Definition date:	2019-05-09
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)-1-propyl-piperidine-3-carboxylic acid

CKX

CKX
Name:	(2~{S},3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)-2-propyl-piperidine-3-carboxylic acid
Formula:	C9 H17 N O4
SMILES:	CCC[CH]1NC[CH](O)[CH](O)[CH]1C(O)=O
InChi:	InChI=1S/C9H17NO4/c1-2-3-5-7(9(13)14)8(12)6(11)4-10-5/h5-8,10-12H,2-4H2,1H3,(H,13,14)/t5-,6+,7-,8-/m0/s1
Definition date:	2019-05-09
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	(2~{S},3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)-2-propyl-piperidine-3-carboxylic acid

L5K

L5K
Name:	~{N}-[3-[(7-nitrodibenzofuran-2-yl)sulfonylamino]phenyl]-1-oxidanyl-cyclopropane-1-carboxamide
Formula:	C22 H17 N3 O7 S
SMILES:	OC1(CC1)C(=O)Nc2cccc(N[S](=O)(=O)c3ccc4oc5cc(ccc5c4c3)[N+]([O-])=O)c2
InChi:	InChI=1S/C22H17N3O7S/c26-21(22(27)8-9-22)23-13-2-1-3-14(10-13)24-33(30,31)16-5-7-19-18(12-16)17-6-4-15(25(28)29)11-20(17)32-19/h1-7,10-12,24,27H,8-9H2,(H,23,26)
Definition date:	2019-07-22
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	~{N}-[3-[(7-nitrodibenzofuran-2-yl)sulfonylamino]phenyl]-1-oxidanyl-cyclopropane-1-carboxamide

L5N

L5N
Name:	4-[[4-[(5-chloranylthiophen-2-yl)carbonylamino]-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]benzoic acid
Formula:	C21 H13 Cl N2 O5 S
SMILES:	OC(=O)c1ccc(CN2C(=O)c3cccc(NC(=O)c4sc(Cl)cc4)c3C2=O)cc1
InChi:	InChI=1S/C21H13ClN2O5S/c22-16-9-8-15(30-16)18(25)23-14-3-1-2-13-17(14)20(27)24(19(13)26)10-11-4-6-12(7-5-11)21(28)29/h1-9H,10H2,(H,23,25)(H,28,29)
Definition date:	2019-07-22
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	4-[[4-[(5-chloranylthiophen-2-yl)carbonylamino]-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]benzoic acid

L8N

L8N
Name:	phenyl-(4-sulfamoylphenoxy)phosphinic acid
Formula:	C12 H12 N O5 P S
SMILES:	N[S](=O)(=O)c1ccc(O[P](O)(=O)c2ccccc2)cc1
InChi:	InChI=1S/C12H12NO5PS/c13-20(16,17)12-8-6-10(7-9-12)18-19(14,15)11-4-2-1-3-5-11/h1-9H,(H,14,15)(H2,13,16,17)
Definition date:	2019-07-29
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	phenyl-(4-sulfamoylphenoxy)phosphinic acid

NTQ

NTQ
Name:	(1~{S})-2,2-bis(fluoranyl)-~{N}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]cyclopropane-1-carboxamide
Formula:	C17 H20 F2 N4 O2
SMILES:	Cc1[nH]nc2NC(=O)C=C([CH]3CC[CH](CC3)NC(=O)[CH]4CC4(F)F)c12
InChi:	InChI=1S/C17H20F2N4O2/c1-8-14-11(6-13(24)21-15(14)23-22-8)9-2-4-10(5-3-9)20-16(25)12-7-17(12,18)19/h6,9-10,12H,2-5,7H2,1H3,(H,20,25)(H2,21,22,23,24)/t9-,10-,12-/m0/s1
Definition date:	2019-12-13
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	(1~{S})-2,2-bis(fluoranyl)-~{N}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]cyclopropane-1-carboxamide

NTW

NTW
Name:	2-[4-(3-methyl-6-oxidanylidene-1,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]ethanenitrile
Formula:	C15 H18 N4 O
SMILES:	Cc1n[nH]c2NC(=O)C=C([CH]3CC[CH](CC3)CC#N)c12
InChi:	InChI=1S/C15H18N4O/c1-9-14-12(8-13(20)17-15(14)19-18-9)11-4-2-10(3-5-11)6-7-16/h8,10-11H,2-6H2,1H3,(H2,17,18,19,20)/t10-,11-
Definition date:	2019-12-13
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	2-[4-(3-methyl-6-oxidanylidene-1,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]ethanenitrile

N9T

N9T
Name:	(1~{R},3~{S})-~{N}-(6,7-dimethoxy-2-oxidanylidene-chromen-3-yl)-3-[(phenylmethyl)amino]cyclohexane-1-carboxamide
Formula:	C25 H28 N2 O5
SMILES:	COc1cc2OC(=O)C(=Cc2cc1OC)NC(=O)[CH]3CCC[CH](C3)NCc4ccccc4
InChi:	InChI=1S/C25H28N2O5/c1-30-22-13-18-12-20(25(29)32-21(18)14-23(22)31-2)27-24(28)17-9-6-10-19(11-17)26-15-16-7-4-3-5-8-16/h3-5,7-8,12-14,17,19,26H,6,9-11,15H2,1-2H3,(H,27,28)/t17-,19+/m1/s1
Definition date:	2019-11-21
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	(1~{R},3~{S})-~{N}-(6,7-dimethoxy-2-oxidanylidene-chromen-3-yl)-3-[(phenylmethyl)amino]cyclohexane-1-carboxamide

QY4

QY4
Name:	N-[(8beta,11alpha,12alpha)-8-{[methyl(phenyl)amino]methyl}-1,6:7,14-dicycloprosta-1(6),2,4,7(14)-tetraen-11-yl]sulfuric diamide
Formula:	C28 H39 N3 O2 S
SMILES:	C21(CCC(C1CC(CCCCCC)=C2c3ccccc3)NS(N)(=O)=O)CN(C)c4ccccc4
InChi:	InChI=1S/C28H39N3O2S/c1-3-4-5-8-15-23-20-25-26(30-34(29,32)33)18-19-28(25,27(23)22-13-9-6-10-14-22)21-31(2)24-16-11-7-12-17-24/h6-7,9-14,16-17,25-26,30H,3-5,8,15,18-21H2,1-2H3,(H2,29,32,33)/t25-,26-,28-/m0/s1
Definition date:	2020-01-14
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	N-[(8beta,11alpha,12alpha)-8-{[methyl(phenyl)amino]methyl}-1,6:7,14-dicycloprosta-1(6),2,4,7(14)-tetraen-11-yl]sulfuric diamide

QZ8

QZ8
Name:	3-methyl-4-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one
Formula:	C13 H11 N3 O
SMILES:	Cc1[nH]nc2NC(=O)C=C(c3ccccc3)c12
InChi:	InChI=1S/C13H11N3O/c1-8-12-10(9-5-3-2-4-6-9)7-11(17)14-13(12)16-15-8/h2-7H,1H3,(H2,14,15,16,17)
Definition date:	2019-12-13
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	3-methyl-4-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one

P1W

P1W
Name:	3-methylbut-2-en-1-ol
Formula:	C5 H10 O
SMILES:	CC(C)=CCO
InChi:	InChI=1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3
Definition date:	2020-04-14
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	3-methylbut-2-en-1-ol

SWP

SWP
Name:	methyl ((10R,14S)-14-(4-(3-chloro-2,6-difluorophenyl)-6-oxo-3,6-dihydro- 1(2h)-pyridinyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.0~2,7~]nonadeca- 1(19),2,4,6,15,17-hexaen-5-yl)carbamate
Formula:	C31 H29 Cl F2 N4 O4
SMILES:	COC(=O)Nc1ccc2c(NC(=O)[CH](C)CCC[CH](N3CCC(=CC3=O)c4c(F)ccc(Cl)c4F)c5cc2ccn5)c1
InChi:	InChI=1S/C31H29ClF2N4O4/c1-17-4-3-5-26(38-13-11-19(15-27(38)39)28-23(33)9-8-22(32)29(28)34)25-14-18(10-12-35-25)21-7-6-20(36-31(41)42-2)16-24(21)37-30(17)40/h6-10,12,14-17,26H,3-5,11,13H2,1-2H3,(H,36,41)(H,37,40)/t17-,26+/m1/s1
Definition date:	2020-03-12
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	methyl ~{N}-[(10~{R},14~{S})-14-[4-[3-chloranyl-2,6-bis(fluoranyl)phenyl]-6-oxidanylidene-2,3-dihydropyridin-1-yl]-10-methyl-9-oxidanylidene-8,16-diazatricyclo[13.3.1.0^{2,7}]nonadeca-1(18),2,4,6,15(19),16-hexaen-5-yl]carbamate

EUL

EUL
Name:	2-bromanyl-N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzamide
Formula:	C17 H14 Br N3 O S
SMILES:	Brc1ccccc1C(=O)Nc2ncnc3sc4CCCCc4c23
InChi:	InChI=1S/C17H14BrN3OS/c18-12-7-3-1-5-10(12)16(22)21-15-14-11-6-2-4-8-13(11)23-17(14)20-9-19-15/h1,3,5,7,9H,2,4,6,8H2,(H,19,20,21,22)
Definition date:	2020-01-28
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	2-bromanyl-~{N}-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzamide

EYO

EYO
Name:	1,4,7,10,13-pentaoxacyclopentadecane
Formula:	C10 H20 O5
SMILES:	C1COCCOCCOCCOCCO1
InChi:	InChI=1S/C10H20O5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1/h1-10H2
Definition date:	2020-02-21
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	1,4,7,10,13-pentaoxacyclopentadecane

TJ1

TJ1
Name:	3-(propan-2-yl)-1,2,4-oxadiazol-5(4H)-one
Formula:	C5 H8 N2 O2
SMILES:	C1(=O)NC(=NO1)C(C)C
InChi:	InChI=1S/C5H8N2O2/c1-3(2)4-6-5(8)9-7-4/h3H,1-2H3,(H,6,7,8)
Definition date:	2020-03-20
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	3-(propan-2-yl)-1,2,4-oxadiazol-5(4H)-one

TJV

TJV
Name:	1,3-benzodioxole-5-carbothioamide
Formula:	C8 H7 N O2 S
SMILES:	c2c1OCOc1ccc2C(N)=S
InChi:	InChI=1S/C8H7NO2S/c9-8(12)5-1-2-6-7(3-5)11-4-10-6/h1-3H,4H2,(H2,9,12)
Definition date:	2020-03-23
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	2H-1,3-benzodioxole-5-carbothioamide

T9S

T9S
Name:	ethyl 1,3-dihydro-2H-pyrrolo[3,4-c]pyridine-2-carboxylate
Formula:	C10 H12 N2 O2
SMILES:	c21CN(Cc1cncc2)C(=O)OCC
InChi:	InChI=1S/C10H12N2O2/c1-2-14-10(13)12-6-8-3-4-11-5-9(8)7-12/h3-5H,2,6-7H2,1H3
Definition date:	2020-03-18
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	ethyl 1,3-dihydro-2H-pyrrolo[3,4-c]pyridine-2-carboxylate

T9V

T9V
Name:	N-(4-methoxyphenyl)acetamide
Formula:	C9 H11 N O2
SMILES:	c1cc(ccc1OC)NC(=O)C
InChi:	InChI=1S/C9H11NO2/c1-7(11)10-8-3-5-9(12-2)6-4-8/h3-6H,1-2H3,(H,10,11)
Definition date:	2020-03-18
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	N-(4-methoxyphenyl)acetamide

T9Y

T9Y
Name:	ethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
Formula:	C7 H7 F3 N2 O2
SMILES:	c1c(c(C(F)(F)F)nn1)C(OCC)=O
InChi:	InChI=1S/C7H7F3N2O2/c1-2-14-6(13)4-3-11-12-5(4)7(8,9)10/h3H,2H2,1H3,(H,11,12)
Definition date:	2020-03-18
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	ethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate

PJW

PJW
Name:	benzo[b][1]benziodole
Formula:	C12 H8 I
SMILES:	[I]1c2ccccc2c3ccccc13
InChi:	InChI=1S/C12H9I/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H
Definition date:	2020-04-23
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	benzo[b][1]benziodole

UKV

UKV
Name:	(5Z)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:	C11 H9 N O2 S2
SMILES:	COc2cccc([C@H]=C1C(NC(S1)=S)=O)c2
InChi:	InChI=1S/C11H9NO2S2/c1-14-8-4-2-3-7(5-8)6-9-10(13)12-11(15)16-9/h2-6H,1H3,(H,12,13,15)/b9-6-
Definition date:	2020-05-20
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	(5Z)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

UL1

UL1
Name:	(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:	C12 H11 N O3 S2
SMILES:	COc2ccc([C@H]=C1C(=O)NC(=S)S1)cc2OC
InChi:	InChI=1S/C12H11NO3S2/c1-15-8-4-3-7(5-9(8)16-2)6-10-11(14)13-12(17)18-10/h3-6H,1-2H3,(H,13,14,17)/b10-6-
Definition date:	2020-05-20
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

UQJ

UQJ
Name:	3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide
Formula:	C6 H7 F2 N3 O
SMILES:	NC(=O)c1c(C(F)F)nn(c1)C
InChi:	InChI=1S/C6H7F2N3O/c1-11-2-3(6(9)12)4(10-11)5(7)8/h2,5H,1H3,(H2,9,12)
Definition date:	2020-05-27
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide

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