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OQV

OQV
Name:	(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S,5S)-3-hydroxy-5-{[N-(methoxycarbonyl)-3-methyl-L-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate
Formula:	C33 H45 N3 O8
SMILES:	c1(ccccc1)CC(C(CC(Cc2ccccc2)NC(C(C(C)(C)C)NC(OC)=O)=O)O)NC(OC3C4C(OC3)OCC4)=O
InChi:	InChI=1S/C33H45N3O8/c1-33(2,3)28(36-31(39)41-4)29(38)34-23(17-21-11-7-5-8-12-21)19-26(37)25(18-22-13-9-6-10-14-22)35-32(40)44-27-20-43-30-24(27)15-16-42-30/h5-14,23-28,30,37H,15-20H2,1-4H3,(H,34,38)(H,35,40)(H,36,39)/t23-,24-,25-,26-,27-,28+,30+/m0/s1
Definition date:	2019-07-02
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S,5S)-3-hydroxy-5-{[N-(methoxycarbonyl)-3-methyl-L-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate

OQY

OQY
Name:	(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-3-methyl-L-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate
Formula:	C33 H45 N3 O8
SMILES:	c1(ccccc1)CC(C(CC(NC(OC2C3C(OC2)OCC3)=O)Cc4ccccc4)O)NC(=O)C(C(C)(C)C)NC(OC)=O
InChi:	InChI=1S/C33H45N3O8/c1-33(2,3)28(36-31(39)41-4)29(38)35-25(18-22-13-9-6-10-14-22)26(37)19-23(17-21-11-7-5-8-12-21)34-32(40)44-27-20-43-30-24(27)15-16-42-30/h5-14,23-28,30,37H,15-20H2,1-4H3,(H,34,40)(H,35,38)(H,36,39)/t23-,24-,25-,26-,27-,28+,30+/m0/s1
Definition date:	2019-07-02
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-3-methyl-L-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate

OR1

OR1
Name:	(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-5-{[(2,6-dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate
Formula:	C35 H42 N2 O7
SMILES:	C(C(C(CC(NC(OC1C2C(OC1)OCC2)=O)Cc3ccccc3)O)NC(=O)COc4c(cccc4C)C)c5ccccc5
InChi:	InChI=1S/C35H42N2O7/c1-23-10-9-11-24(2)33(23)42-22-32(39)37-29(19-26-14-7-4-8-15-26)30(38)20-27(18-25-12-5-3-6-13-25)36-35(40)44-31-21-43-34-28(31)16-17-41-34/h3-15,27-31,34,38H,16-22H2,1-2H3,(H,36,40)(H,37,39)/t27-,28-,29-,30-,31-,34+/m0/s1
Definition date:	2019-07-02
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-5-{[(2,6-dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate

ORJ

ORJ
Name:	2-{4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl}-N-methylacetamide
Formula:	C16 H13 F N2 O3 S
SMILES:	n2c(Oc1cc(c(CC(NC)=O)cc1)O)sc3c2ccc(c3)F
InChi:	InChI=1S/C16H13FN2O3S/c1-18-15(21)6-9-2-4-11(8-13(9)20)22-16-19-12-5-3-10(17)7-14(12)23-16/h2-5,7-8,20H,6H2,1H3,(H,18,21)
Definition date:	2019-07-03
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	2-{4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl}-N-methylacetamide

ORV

ORV
Name:	(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-alanyl]amino}-1,6-diphenylhexan-2-yl]carbamate
Formula:	C30 H39 N3 O8
SMILES:	c1(ccccc1)CC(C(CC(NC(OC2C3C(OC2)OCC3)=O)Cc4ccccc4)O)NC(=O)C(C)NC(OC)=O
InChi:	InChI=1S/C30H39N3O8/c1-19(31-29(36)38-2)27(35)33-24(16-21-11-7-4-8-12-21)25(34)17-22(15-20-9-5-3-6-10-20)32-30(37)41-26-18-40-28-23(26)13-14-39-28/h3-12,19,22-26,28,34H,13-18H2,1-2H3,(H,31,36)(H,32,37)(H,33,35)/t19-,22-,23-,24-,25-,26-,28+/m0/s1
Definition date:	2019-07-03
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-alanyl]amino}-1,6-diphenylhexan-2-yl]carbamate

OWB

OWB
Name:	~{N}-[3-[6-[(3~{R})-piperidin-3-yl]-2-pyridin-4-yl-pyrimidin-4-yl]oxyphenyl]ethanamide
Formula:	C22 H23 N5 O2
SMILES:	CC(=O)Nc1cccc(Oc2cc(nc(n2)c3ccncc3)[CH]4CCCNC4)c1
InChi:	InChI=1S/C22H23N5O2/c1-15(28)25-18-5-2-6-19(12-18)29-21-13-20(17-4-3-9-24-14-17)26-22(27-21)16-7-10-23-11-8-16/h2,5-8,10-13,17,24H,3-4,9,14H2,1H3,(H,25,28)/t17-/m1/s1
Definition date:	2020-04-06
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	~{N}-[3-[6-[(3~{R})-piperidin-3-yl]-2-pyridin-4-yl-pyrimidin-4-yl]oxyphenyl]ethanamide

7ZW

7ZW
Name:	2-[(4~{R})-4-(2-methylpropyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]-~{N}-[4-(trifluoromethyl)phenyl]ethanamide
Formula:	C16 H18 F3 N3 O3
SMILES:	CC(C)C[CH]1NC(=O)N(CC(=O)Nc2ccc(cc2)C(F)(F)F)C1=O
InChi:	InChI=1S/C16H18F3N3O3/c1-9(2)7-12-14(24)22(15(25)21-12)8-13(23)20-11-5-3-10(4-6-11)16(17,18)19/h3-6,9,12H,7-8H2,1-2H3,(H,20,23)(H,21,25)/t12-/m1/s1
Definition date:	2020-03-12
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	2-[(4~{R})-4-(2-methylpropyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]-~{N}-[4-(trifluoromethyl)phenyl]ethanamide

QO1

QO1
Name:	4-[(2S,3R)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-(4-{3-[(methylsulfonyl)amino]prop-1-yn-1-yl}phenyl)-4-oxoazetidin-2-yl]phenyl beta-D-glucopyranosiduronic acid
Formula:	C34 H35 F N2 O11 S
SMILES:	c1(ccc(cc1)C(CCC4C(c2ccc(cc2)OC3C(C(C(C(C(=O)O)O3)O)O)O)N(C4=O)c5ccc(cc5)C#CCNS(C)(=O)=O)O)F
InChi:	InChI=1S/C34H35FN2O11S/c1-49(45,46)36-18-2-3-19-4-12-23(13-5-19)37-27(25(32(37)42)16-17-26(38)20-6-10-22(35)11-7-20)21-8-14-24(15-9-21)47-34-30(41)28(39)29(40)31(48-34)33(43)44/h4-15,25-31,34,36,38-41H,16-18H2,1H3,(H,43,44)/t25-,26+,27-,28+,29+,30-,31+,34-/m1/s1
Definition date:	2019-11-26
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	4-[(2S,3R)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-(4-{3-[(methylsulfonyl)amino]prop-1-yn-1-yl}phenyl)-4-oxoazetidin-2-yl]phenyl beta-D-glucopyranosiduronic acid

R3P

R3P
Name:	2,6-dichloro-N-[1-(propan-2-yl)piperidin-4-yl]benzamide
Formula:	C15 H20 Cl2 N2 O
SMILES:	Clc1c(c(ccc1)Cl)C(NC2CCN(CC2)C(C)C)=O
InChi:	InChI=1S/C15H20Cl2N2O/c1-10(2)19-8-6-11(7-9-19)18-15(20)14-12(16)4-3-5-13(14)17/h3-5,10-11H,6-9H2,1-2H3,(H,18,20)
Definition date:	2020-01-29
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	2,6-dichloro-N-[1-(propan-2-yl)piperidin-4-yl]benzamide

R6Z

R6Z
Name:	3-(1H-tetrazol-5-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide
Formula:	C16 H10 F3 N9 O
SMILES:	C(=O)(c1cc(C(F)(F)F)cc(c1)c2nnnn2)Nc3cccc(c3)c4nnnn4
InChi:	InChI=1S/C16H10F3N9O/c17-16(18,19)11-5-9(14-23-27-28-24-14)4-10(6-11)15(29)20-12-3-1-2-8(7-12)13-21-25-26-22-13/h1-7H,(H,20,29)(H,21,22,25,26)(H,23,24,27,28)
Definition date:	2019-04-24
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	3-(1H-tetrazol-5-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide

QDE

QDE
Name:	~{N}-[5-[6-[(dimethylamino)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxy-pyridin-3-yl]methanesulfonamide
Formula:	C18 H24 N4 O4 S
SMILES:	COc1ncc(cc1N[S](C)(=O)=O)N2CCOc3ccc(CN(C)C)cc23
InChi:	InChI=1S/C18H24N4O4S/c1-21(2)12-13-5-6-17-16(9-13)22(7-8-26-17)14-10-15(20-27(4,23)24)18(25-3)19-11-14/h5-6,9-11,20H,7-8,12H2,1-4H3
Definition date:	2020-06-08
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	~{N}-[5-[6-[(dimethylamino)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxy-pyridin-3-yl]methanesulfonamide

QGS

QGS
Name:	1-[(2S)-2-{3-[(3S)-3-amino-2,3-dihydro-1-benzofuran-5-yl]-5-(propan-2-yl)phenyl}-2-hydroxyethyl]-1H-indole-7-carboxylic acid
Formula:	C28 H28 N2 O4
SMILES:	c1n(c2c(cccc2c1)C(O)=O)CC(c5cc(c4ccc3c(C(CO3)N)c4)cc(c5)C(C)C)O
InChi:	InChI=1S/C28H28N2O4/c1-16(2)19-10-20(18-6-7-26-23(13-18)24(29)15-34-26)12-21(11-19)25(31)14-30-9-8-17-4-3-5-22(27(17)30)28(32)33/h3-13,16,24-25,31H,14-15,29H2,1-2H3,(H,32,33)/t24-,25-/m1/s1
Definition date:	2019-10-29
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	1-[(2S)-2-{3-[(3S)-3-amino-2,3-dihydro-1-benzofuran-5-yl]-5-(propan-2-yl)phenyl}-2-hydroxyethyl]-1H-indole-7-carboxylic acid

MZV

MZV
Name:	3-(pyridin-2-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide
Formula:	C20 H13 F3 N6 O
SMILES:	c3(cc(cc(C(Nc2cc(c1nnnn1)ccc2)=O)c3)C(F)(F)F)c4ncccc4
InChi:	InChI=1S/C20H13F3N6O/c21-20(22,23)15-9-13(17-6-1-2-7-24-17)8-14(10-15)19(30)25-16-5-3-4-12(11-16)18-26-28-29-27-18/h1-11H,(H,25,30)(H,26,27,28,29)
Definition date:	2019-04-24
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	3-(pyridin-2-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide

N08

N08
Name:	~{N}-[2-(4-fluorophenyl)ethyl]furan-2-carboxamide
Formula:	C13 H12 F N O2
SMILES:	Fc1ccc(CCNC(=O)c2occc2)cc1
InChi:	InChI=1S/C13H12FNO2/c14-11-5-3-10(4-6-11)7-8-15-13(16)12-2-1-9-17-12/h1-6,9H,7-8H2,(H,15,16)
Definition date:	2019-10-31
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	~{N}-[2-(4-fluorophenyl)ethyl]furan-2-carboxamide

N3G

N3G
Name:	N-{[4-(6-amino-9H-purin-9-yl)butyl]sulfamoyl}-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
Formula:	C19 H29 N9 O4 S2
SMILES:	c2nc1c(N)ncnc1n2CCCCNS(NC(CCCCC4C3NC(=O)NC3CS4)=O)(=O)=O
InChi:	InChI=1S/C19H29N9O4S2/c20-17-16-18(22-10-21-17)28(11-23-16)8-4-3-7-24-34(31,32)27-14(29)6-2-1-5-13-15-12(9-33-13)25-19(30)26-15/h10-13,15,24H,1-9H2,(H,27,29)(H2,20,21,22)(H2,25,26,30)/t12-,13-,15-/m0/s1
Definition date:	2019-05-01
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	N-{[4-(6-amino-9H-purin-9-yl)butyl]sulfamoyl}-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide

FN0

FN0
Name:	(3S)-5,7-ditert-butyl-3-oxidanyl-3-(trifluoromethyl)-1-benzofuran-2-one
Formula:	C17 H21 F3 O3
SMILES:	CC(C)(C)c1cc(c2OC(=O)[C](O)(c2c1)C(F)(F)F)C(C)(C)C
InChi:	InChI=1S/C17H21F3O3/c1-14(2,3)9-7-10(15(4,5)6)12-11(8-9)16(22,13(21)23-12)17(18,19)20/h7-8,22H,1-6H3/t16-/m0/s1
Definition date:	2020-06-03
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	(3~{S})-5,7-di~{tert}-butyl-3-oxidanyl-3-(trifluoromethyl)-1-benzofuran-2-one

M83

M83
Name:	5-(3-cyanophenyl)furan-2-carboxylic acid
Formula:	C12 H7 N O3
SMILES:	OC(=O)c1oc(cc1)c2cccc(c2)C#N
InChi:	InChI=1S/C12H7NO3/c13-7-8-2-1-3-9(6-8)10-4-5-11(16-10)12(14)15/h1-6H,(H,14,15)
Definition date:	2020-06-05
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	5-(3-cyanophenyl)furan-2-carboxylic acid

K3Q

K3Q
Name:	3,6-O-dimethyl-D-glucose
Formula:	C8 H16 O6
SMILES:	COC[CH]1O[CH](O)[CH](O)[CH](OC)[CH]1O
InChi:	InChI=1S/C8H16O6/c1-12-3-4-5(9)7(13-2)6(10)8(11)14-4/h4-11H,3H2,1-2H3/t4-,5-,6-,7+,8-/m1/s1
Definition date:	2019-04-17
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	(2~{R},3~{R},4~{S},5~{R},6~{R})-4-methoxy-6-(methoxymethyl)oxane-2,3,5-triol

K42

K42
Name:	4-(2-azanylethoxy)phenol
Formula:	C8 H11 N O2
SMILES:	NCCOc1ccc(O)cc1
InChi:	InChI=1S/C8H11NO2/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4,10H,5-6,9H2
Definition date:	2019-04-18
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	4-(2-azanylethoxy)phenol

SGG

SGG
Name:	[(2~{S})-3-[[(1~{S})-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxidanyl-propyl]-(phenylmethyl)phosphinic acid
Formula:	C18 H22 Cl2 N O3 P
SMILES:	C[CH](NC[CH](O)C[P](O)(=O)Cc1ccccc1)c2ccc(Cl)c(Cl)c2
InChi:	InChI=1S/C18H22Cl2NO3P/c1-13(15-7-8-17(19)18(20)9-15)21-10-16(22)12-25(23,24)11-14-5-3-2-4-6-14/h2-9,13,16,21-22H,10-12H2,1H3,(H,23,24)/t13-,16-/m0/s1
Definition date:	2020-03-09
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	[(2~{S})-3-[[(1~{S})-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxidanyl-propyl]-(phenylmethyl)phosphinic acid

RY4

RY4
Name:	N-[4-(aminomethyl)phenyl]methanesulfonamide
Formula:	C8 H12 N2 O2 S
SMILES:	N(S(C)(=O)=O)c1ccc(cc1)CN
InChi:	InChI=1S/C8H12N2O2S/c1-13(11,12)10-8-4-2-7(6-9)3-5-8/h2-5,10H,6,9H2,1H3
Definition date:	2020-02-28
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	N-[4-(aminomethyl)phenyl]methanesulfonamide

RYG

RYG
Name:	~{N}-[(3~{R})-2-oxidanylideneazepan-3-yl]furan-2-carboxamide
Formula:	C11 H14 N2 O3
SMILES:	O=C1NCCCC[CH]1NC(=O)c2occc2
InChi:	InChI=1S/C11H14N2O3/c14-10-8(4-1-2-6-12-10)13-11(15)9-5-3-7-16-9/h3,5,7-8H,1-2,4,6H2,(H,12,14)(H,13,15)/t8-/m1/s1
Definition date:	2020-03-02
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	~{N}-[(3~{R})-2-oxidanylideneazepan-3-yl]furan-2-carboxamide

RYM

RYM
Name:	4-(benzimidazol-1-ylmethyl)benzenecarbonitrile
Formula:	C15 H11 N3
SMILES:	N#Cc1ccc(Cn2cnc3ccccc23)cc1
InChi:	InChI=1S/C15H11N3/c16-9-12-5-7-13(8-6-12)10-18-11-17-14-3-1-2-4-15(14)18/h1-8,11H,10H2
Definition date:	2020-03-02
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	4-(benzimidazol-1-ylmethyl)benzenecarbonitrile

S07

S07
Name:	2-(2,4-dimethylphenoxy)-1-morpholin-4-yl-ethanone
Formula:	C14 H19 N O3
SMILES:	Cc1ccc(OCC(=O)N2CCOCC2)c(C)c1
InChi:	InChI=1S/C14H19NO3/c1-11-3-4-13(12(2)9-11)18-10-14(16)15-5-7-17-8-6-15/h3-4,9H,5-8,10H2,1-2H3
Definition date:	2020-03-03
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	2-(2,4-dimethylphenoxy)-1-morpholin-4-yl-ethanone

S0P

S0P
Name:	~{N}-(4-cyanophenyl)ethanamide
Formula:	C9 H8 N2 O
SMILES:	CC(=O)Nc1ccc(cc1)C#N
InChi:	InChI=1S/C9H8N2O/c1-7(12)11-9-4-2-8(6-10)3-5-9/h2-5H,1H3,(H,11,12)
Definition date:	2020-03-03
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	~{N}-(4-cyanophenyl)ethanamide

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