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M8S

M8S
Name:	2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-sulfamoylphenyl)acetamide
Formula:	C17 H22 N4 O5 S
SMILES:	c1cc(ccc1NC(CN3C(=O)C2(CCCCCC2)NC3=O)=O)S(N)(=O)=O
InChi:	InChI=1S/C17H22N4O5S/c18-27(25,26)13-7-5-12(6-8-13)19-14(22)11-21-15(23)17(20-16(21)24)9-3-1-2-4-10-17/h5-8H,1-4,9-11H2,(H,19,22)(H,20,24)(H2,18,25,26)
Definition date:	2019-03-27
Last modified:	2019-06-07
Release date:	2019-06-12
Identifier:	2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-sulfamoylphenyl)acetamide

M8V

M8V
Name:	2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide
Formula:	C16 H20 N4 O5 S
SMILES:	c1cc(ccc1NC(CN3C(C2(CCCCC2)NC3=O)=O)=O)S(N)(=O)=O
InChi:	InChI=1S/C16H20N4O5S/c17-26(24,25)12-6-4-11(5-7-12)18-13(21)10-20-14(22)16(19-15(20)23)8-2-1-3-9-16/h4-7H,1-3,8-10H2,(H,18,21)(H,19,23)(H2,17,24,25)
Definition date:	2019-03-27
Last modified:	2019-06-07
Release date:	2019-06-12
Identifier:	2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide

EQ7

EQ7
Name:	8-chloro-2-[(2,4-dichlorophenyl)amino]-3-(3-methylbutanoyl)-5-nitroquinolin-4(1H)-one
Formula:	C20 H16 Cl3 N3 O4
SMILES:	C(=O)(CC(C)C)C=2C(c1c(ccc(c1NC=2Nc3ccc(cc3Cl)Cl)Cl)N(=O)=O)=O
InChi:	InChI=1S/C20H16Cl3N3O4/c1-9(2)7-15(27)17-19(28)16-14(26(29)30)6-4-11(22)18(16)25-20(17)24-13-5-3-10(21)8-12(13)23/h3-6,8-9H,7H2,1-2H3,(H2,24,25,28)
Definition date:	2018-01-25
Last modified:	2019-06-07
Release date:	2019-06-12
Identifier:	8-chloro-2-[(2,4-dichlorophenyl)amino]-3-(3-methylbutanoyl)-5-nitroquinolin-4(1H)-one

H5V

H5V
Name:	7-(2-C-methyl-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Formula:	C12 H16 N4 O4
SMILES:	OC1C(C(OC1CO)n3c2c(c(ncn2)N)cc3)(C)O
InChi:	InChI=1S/C12H16N4O4/c1-12(19)8(18)7(4-17)20-11(12)16-3-2-6-9(13)14-5-15-10(6)16/h2-3,5,7-8,11,17-19H,4H2,1H3,(H2,13,14,15)/t7-,8-,11-,12-/m1/s1
Definition date:	2018-06-11
Last modified:	2019-06-07
Release date:	2019-06-12
Identifier:	7-(2-C-methyl-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

H5Y

H5Y
Name:	2-[4-{[2-(dimethylamino)ethyl](ethyl)carbamoyl}-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]pyridine-4-carboxylic acid
Formula:	C23 H27 N5 O4
SMILES:	c3(OC)ccc(c1c(cnn1c2cc(C(=O)O)ccn2)C(=O)N(CCN(C)C)CC)cc3
InChi:	InChI=1S/C23H27N5O4/c1-5-27(13-12-26(2)3)22(29)19-15-25-28(20-14-17(23(30)31)10-11-24-20)21(19)16-6-8-18(32-4)9-7-16/h6-11,14-15H,5,12-13H2,1-4H3,(H,30,31)
Definition date:	2018-06-11
Last modified:	2019-06-07
Release date:	2019-06-12
Identifier:	2-[4-{[2-(dimethylamino)ethyl](ethyl)carbamoyl}-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]pyridine-4-carboxylic acid

H61

H61
Name:	2-{1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-yl}thieno[3,2-b]pyridine-7-carboxylic acid
Formula:	C22 H22 N4 O2 S
SMILES:	C(=O)(O)c2c1sc(cc1ncc2)c4nc3ccccc3n4CCN5CCCCC5
InChi:	InChI=1S/C22H22N4O2S/c27-22(28)15-8-9-23-17-14-19(29-20(15)17)21-24-16-6-2-3-7-18(16)26(21)13-12-25-10-4-1-5-11-25/h2-3,6-9,14H,1,4-5,10-13H2,(H,27,28)
Definition date:	2018-06-11
Last modified:	2019-06-07
Release date:	2019-06-12
Identifier:	2-{1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-yl}thieno[3,2-b]pyridine-7-carboxylic acid

H67

H67
Name:	2-[5-([1,1'-biphenyl]-3-yl)-4-{(1S)-1-[2-(piperidin-1-yl)ethoxy]ethyl}-1H-pyrazol-1-yl]pyridine-4-carboxylic acid
Formula:	C30 H32 N4 O3
SMILES:	c4c(c(c2cc(c1ccccc1)ccc2)n(c3cc(C(=O)O)ccn3)n4)C(C)OCCN5CCCCC5
InChi:	InChI=1S/C30H32N4O3/c1-22(37-18-17-33-15-6-3-7-16-33)27-21-32-34(28-20-26(30(35)36)13-14-31-28)29(27)25-12-8-11-24(19-25)23-9-4-2-5-10-23/h2,4-5,8-14,19-22H,3,6-7,15-18H2,1H3,(H,35,36)/t22-/m0/s1
Definition date:	2018-06-11
Last modified:	2019-06-07
Release date:	2019-06-12
Identifier:	2-[5-([1,1'-biphenyl]-3-yl)-4-{(1S)-1-[2-(piperidin-1-yl)ethoxy]ethyl}-1H-pyrazol-1-yl]pyridine-4-carboxylic acid

H6A

H6A
Name:	2-(5-phenyl-4-{(R)-phenyl[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrazol-1-yl)pyridine-4-carboxylic acid
Formula:	C29 H30 N4 O3
SMILES:	C(=O)(O)c1ccnc(c1)n3c(c2ccccc2)c(cn3)C(c4ccccc4)OCCN5CCCCC5
InChi:	InChI=1S/C29H30N4O3/c34-29(35)24-14-15-30-26(20-24)33-27(22-10-4-1-5-11-22)25(21-31-33)28(23-12-6-2-7-13-23)36-19-18-32-16-8-3-9-17-32/h1-2,4-7,10-15,20-21,28H,3,8-9,16-19H2,(H,34,35)/t28-/m1/s1
Definition date:	2018-06-11
Last modified:	2019-06-07
Release date:	2019-06-12
Identifier:	2-(5-phenyl-4-{(R)-phenyl[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrazol-1-yl)pyridine-4-carboxylic acid

N9M

N9M
Name:	benzyl (carboxyoxy)carbamate
Formula:	C9 H9 N O5
SMILES:	c1cccc(c1)COC(=O)NOC(O)=O
InChi:	InChI=1S/C9H9NO5/c11-8(10-15-9(12)13)14-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)(H,12,13)
Definition date:	2019-05-09
Last modified:	2019-06-07
Release date:	2019-06-12
Identifier:	benzyl (carboxyoxy)carbamate

LRV

LRV
Name:	(8alpha,9beta,10alpha,13alpha)-13-{[alpha-L-allopyranosyl-(1->2)-[beta-D-mannopyranosyl-(1->3)]-beta-D-allopyranosyl]oxy}kauran-18-oic acid
Formula:	C38 H62 O18
SMILES:	C7(C(C(C(OC1C(OC(CO)C(C1OC2C(O)C(C(O)C(CO)O2)O)O)OC34CC6(CC3C)C(CC4)C5(C)CCCC(C(O)=O)(C5CC6)C)OC7CO)O)O)O
InChi:	InChI=1S/C38H62O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(49)50)21(37)6-10-38(16,15-37)56-33-30(55-32-28(48)26(46)23(43)18(13-40)52-32)29(24(44)19(14-41)53-33)54-31-27(47)25(45)22(42)17(12-39)51-31/h16-33,39-48H,4-15H2,1-3H3,(H,49,50)/t16-,17-,18+,19-,20+,21+,22-,23+,24-,25+,26+,27+,28+,29-,30-,31+,32+,33+,35-,36-,37-,38+/m1/s1
Definition date:	2019-03-13
Last modified:	2019-06-07
Release date:	2019-06-12
Identifier:	(8alpha,9beta,10alpha,13alpha)-13-{[alpha-L-allopyranosyl-(1->2)-[beta-D-mannopyranosyl-(1->3)]-beta-D-allopyranosyl]oxy}kauran-18-oic acid

DP
Name:	[(2~{R},3~{S},5~{R})-5-(2-azanyl-4-oxidanylidene-imidazo[1,2-a][1,3,5]triazin-8-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
Formula:	C10 H14 N5 O7 P
SMILES:	NC1=NC(=O)N2C=CN([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)C2=N1
InChi:	InChI=1S/C10H14N5O7P/c11-8-12-9-14(1-2-15(9)10(17)13-8)7-3-5(16)6(22-7)4-21-23(18,19)20/h1-2,5-7,16H,3-4H2,(H2,11,13,17)(H2,18,19,20)/t5-,6+,7+/m0/s1
Definition date:	2018-11-12
Last modified:	2019-06-07
Release date:	2019-06-12
Identifier:	[(2~{R},3~{S},5~{R})-5-(2-azanyl-4-oxidanylidene-imidazo[1,2-a][1,3,5]triazin-8-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate

DZ
Name:	[(2~{R},3~{S},5~{R})-5-(6-azanyl-5-nitro-2-oxidanylidene-1~{H}-pyridin-3-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
Formula:	C10 H14 N3 O9 P
SMILES:	NC1=C(C=C([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)N1)[N+]([O-])=O
InChi:	InChI=1S/C10H14N3O9P/c11-9-5(13(16)17)1-4(10(15)12-9)7-2-6(14)8(22-7)3-21-23(18,19)20/h1,6-8,14H,2-3H2,(H3,11,12,15)(H2,18,19,20)/t6-,7+,8+/m0/s1
Definition date:	2018-11-12
Last modified:	2019-06-07
Release date:	2019-06-12
Identifier:	[(2~{R},3~{S},5~{R})-5-(6-azanyl-5-nitro-2-oxidanylidene-1~{H}-pyridin-3-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate

HOJ

HOJ
Name:	(5R)-6-acetyl-2-methoxy-N-{4-[(2-methoxyphenyl)methoxy]phenyl}-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide
Formula:	C26 H27 N3 O5
SMILES:	n3c(ccc4C(C(Nc1ccc(cc1)OCc2ccccc2OC)=O)N(CCc34)C(C)=O)OC
InChi:	InChI=1S/C26H27N3O5/c1-17(30)29-15-14-22-21(12-13-24(28-22)33-3)25(29)26(31)27-19-8-10-20(11-9-19)34-16-18-6-4-5-7-23(18)32-2/h4-13,25H,14-16H2,1-3H3,(H,27,31)/t25-/m1/s1
Definition date:	2018-07-16
Last modified:	2019-06-07
Release date:	2019-06-12
Identifier:	(5R)-6-acetyl-2-methoxy-N-{4-[(2-methoxyphenyl)methoxy]phenyl}-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide

RCF

RCF
Name:	(2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid
Formula:	C16 H12 F N O4
SMILES:	N#Cc1ccc(c(c1)F)Oc2ccc(OC(C)C(O)=O)cc2
InChi:	InChI=1S/C16H12FNO4/c1-10(16(19)20)21-12-3-5-13(6-4-12)22-15-7-2-11(9-18)8-14(15)17/h2-8,10H,1H3,(H,19,20)/t10-/m1/s1
Definition date:	2019-06-03
Last modified:	2019-06-07
Release date:	2019-06-12
Identifier:	(2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid

6R2

6R2
Name:	[bis(chloranyl)-[oxidanyl-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphoryl]methyl]phosphonic acid
Formula:	C16 H28 Cl2 O6 P2
SMILES:	CC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)C(Cl)(Cl)[P](O)(O)=O
InChi:	InChI=1S/C16H28Cl2O6P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-24-26(22,23)16(17,18)25(19,20)21/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,22,23)(H2,19,20,21)/b14-9+,15-11+
Definition date:	2016-06-21
Last modified:	2019-06-07
Release date:	2019-06-12
Identifier:	[bis(chloranyl)-[oxidanyl-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphoryl]methyl]phosphonic acid

9FC

9FC
Name:	6-{[(1R,2S)-2-aminocyclohexyl]amino}-5-cyano-2-[(3-methylphenyl)amino]pyridine-3-carboxamide
Formula:	C20 H24 N6 O
SMILES:	c1(C(N)=O)cc(c(nc1Nc2cc(C)ccc2)NC3CCCCC3N)C#N
InChi:	InChI=1S/C20H24N6O/c1-12-5-4-6-14(9-12)24-20-15(18(23)27)10-13(11-21)19(26-20)25-17-8-3-2-7-16(17)22/h4-6,9-10,16-17H,2-3,7-8,22H2,1H3,(H2,23,27)(H2,24,25,26)/t16-,17+/m0/s1
Definition date:	2018-04-04
Last modified:	2019-06-07
Release date:	2019-06-12
Identifier:	6-{[(1R,2S)-2-aminocyclohexyl]amino}-5-cyano-2-[(3-methylphenyl)amino]pyridine-3-carboxamide

9JO

9JO
Name:	N-{trans-4-[3-(2-chlorophenyl)-7-{[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]cyclohexyl}propanamide
Formula:	C33 H41 Cl N8 O2
SMILES:	c12nc(ncc1CN(C(N2C3CCC(CC3)NC(CC)=O)=O)c4ccccc4Cl)Nc5ccc(c(C)c5)N6CCN(C)CC6
InChi:	InChI=1S/C33H41ClN8O2/c1-4-30(43)36-24-9-12-26(13-10-24)42-31-23(21-41(33(42)44)29-8-6-5-7-27(29)34)20-35-32(38-31)37-25-11-14-28(22(2)19-25)40-17-15-39(3)16-18-40/h5-8,11,14,19-20,24,26H,4,9-10,12-13,15-18,21H2,1-3H3,(H,36,43)(H,35,37,38)/t24-,26-
Definition date:	2018-05-11
Last modified:	2019-06-07
Release date:	2019-06-12
Identifier:	N-{trans-4-[3-(2-chlorophenyl)-7-{[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]cyclohexyl}propanamide

9RL

9RL
Name:	(2R,3S)-4-(4-chlorophenyl)-2-phenyl-3-(1H-1,2,4-triazol-1-yl)butan-2-ol
Formula:	C18 H18 Cl N3 O
SMILES:	C(C(C(C)(O)c1ccccc1)n2cncn2)c3ccc(cc3)Cl
InChi:	InChI=1S/C18H18ClN3O/c1-18(23,15-5-3-2-4-6-15)17(22-13-20-12-21-22)11-14-7-9-16(19)10-8-14/h2-10,12-13,17,23H,11H2,1H3/t17-,18+/m0/s1
Definition date:	2018-07-04
Last modified:	2019-06-07
Release date:	2019-06-12
Identifier:	(2R,3S)-4-(4-chlorophenyl)-2-phenyl-3-(1H-1,2,4-triazol-1-yl)butan-2-ol

A0R

A0R
Name:	2',4'-dihydroxy-2-methoxychalcone
Formula:	C16 H14 O4
SMILES:	COc1ccccc1C=CC(=O)c2ccc(O)cc2O
InChi:	InChI=1S/C16H14O4/c1-20-16-5-3-2-4-11(16)6-9-14(18)13-8-7-12(17)10-15(13)19/h2-10,17,19H,1H3/b9-6+
Definition date:	2018-09-12
Last modified:	2019-06-07
Release date:	2019-06-12
Identifier:	(~{E})-1-[2,4-bis(oxidanyl)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-one

O0D

O0D
Name:	(2R)-2-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}propanoic acid
Formula:	C14 H11 Cl2 N O4
SMILES:	Clc2c(Oc1ccc(cc1)OC(C)C(O)=O)ncc(c2)Cl
InChi:	InChI=1S/C14H11Cl2NO4/c1-8(14(18)19)20-10-2-4-11(5-3-10)21-13-12(16)6-9(15)7-17-13/h2-8H,1H3,(H,18,19)/t8-/m1/s1
Definition date:	2019-06-03
Last modified:	2019-06-07
Release date:	2019-06-12
Identifier:	(2R)-2-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}propanoic acid

B6X

B6X
Name:	(3R)-3-[(carboxymethyl)sulfanyl]nonanoic acid
Formula:	C11 H20 O4 S
SMILES:	O=C(O)CSC(CC(=O)O)CCCCCC
InChi:	InChI=1S/C11H20O4S/c1-2-3-4-5-6-9(7-10(12)13)16-8-11(14)15/h9H,2-8H2,1H3,(H,12,13)(H,14,15)/t9-/m1/s1
Definition date:	2019-01-17
Last modified:	2019-06-07
Release date:	2019-06-12
Identifier:	(3R)-3-[(carboxymethyl)sulfanyl]nonanoic acid

C5U

C5U
Name:	dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Formula:	C17 H18 N2 O6
SMILES:	COC(=O)C1=C(C)NC(=C(C1c2ccccc2[N](=O)=O)C(=O)OC)C
InChi:	InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3
Definition date:	2019-04-10
Last modified:	2019-06-07
Release date:	2019-06-12
Identifier:	dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

C8U

C8U
Name:	methyl (4~{S})-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
Formula:	C16 H15 F3 N2 O4
SMILES:	COC(=O)C1=C(C)NC(=C([CH]1c2ccccc2C(F)(F)F)[N](=O)=O)C
InChi:	InChI=1S/C16H15F3N2O4/c1-8-12(15(22)25-3)13(14(21(23)24)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,13,20H,1-3H3/t13-/m0/s1
Definition date:	2019-04-16
Last modified:	2019-06-07
Release date:	2019-06-12
Identifier:	methyl (4~{S})-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate

UCZ

UCZ
Name:	(1E,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol
Formula:	C15 H18 Cl N3 O
SMILES:	CC(C)(C)C(C(n1cncn1)=[C@H]c2ccc(cc2)Cl)O
InChi:	InChI=1S/C15H18ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-10,14,20H,1-3H3/b13-8+/t14-/m1/s1
Definition date:	2018-06-13
Last modified:	2019-06-07
Release date:	2019-06-12
Identifier:	(1E,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol

FHK

FHK
Name:	4-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]sulfonylamino]benzoic acid
Formula:	C21 H14 N2 O6 S
SMILES:	OC(=O)c1ccc(N[S](=O)(=O)c2ccc(cc2)N3C(=O)c4ccccc4C3=O)cc1
InChi:	InChI=1S/C21H14N2O6S/c24-19-17-3-1-2-4-18(17)20(25)23(19)15-9-11-16(12-10-15)30(28,29)22-14-7-5-13(6-8-14)21(26)27/h1-12,22H,(H,26,27)
Definition date:	2018-07-06
Last modified:	2019-05-30
Release date:	2019-06-05
Identifier:	4-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]sulfonylamino]benzoic acid

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