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QLH

QLH
Name:	5-[(3~{R},5~{S})-3-azanyl-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile
Formula:	C16 H15 F3 N4
SMILES:	N[CH]1C[CH](CN(C1)c2ccc(C#N)c3ncccc23)C(F)(F)F
InChi:	InChI=1S/C16H15F3N4/c17-16(18,19)11-6-12(21)9-23(8-11)14-4-3-10(7-20)15-13(14)2-1-5-22-15/h1-5,11-12H,6,8-9,21H2/t11-,12+/m0/s1
Definition date:	2020-06-29
Last modified:	2020-12-25
Release date:	2020-12-30
Identifier:	5-[(3~{R},5~{S})-3-azanyl-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile

QT7

QT7
Name:	2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetamide
Formula:	C11 H20 Cl N O3 S
SMILES:	N(CC(C)(C)C)(C1CCS(C1)(=O)=O)C(CCl)=O
InChi:	InChI=1S/C11H20ClNO3S/c1-11(2,3)8-13(10(14)6-12)9-4-5-17(15,16)7-9/h9H,4-8H2,1-3H3/t9-/m1/s1
Definition date:	2019-12-18
Last modified:	2020-12-25
Release date:	2020-12-30
Identifier:	2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetamide

QVA

QVA
Name:	(2S,3R)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-3-hydroxybutanedioic acid
Formula:	C7 H11 N O7 S
SMILES:	NC(CSC(C(O)=O)C(O)C(O)=O)C(O)=O
InChi:	InChI=1S/C7H11NO7S/c8-2(5(10)11)1-16-4(7(14)15)3(9)6(12)13/h2-4,9H,1,8H2,(H,10,11)(H,12,13)(H,14,15)/t2-,3-,4-/m0/s1
Definition date:	2019-12-20
Last modified:	2020-12-25
Release date:	2020-12-30
Identifier:	(2S,3R)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-3-hydroxybutanedioic acid

QX7

QX7
Name:	N-acetyl-3-{[5-(fluorosulfonyl)-2-methylbenzene-1-carbonyl]amino}-L-alanine
Formula:	C13 H15 F N2 O6 S
SMILES:	c1c(c(ccc1S(=O)(=O)F)C)C(NCC(C(=O)O)NC(=O)C)=O
InChi:	InChI=1S/C13H15FN2O6S/c1-7-3-4-9(23(14,21)22)5-10(7)12(18)15-6-11(13(19)20)16-8(2)17/h3-5,11H,6H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)/t11-/m0/s1
Definition date:	2020-01-10
Last modified:	2020-12-25
Release date:	2020-12-30
Identifier:	N-acetyl-3-{[5-(fluorosulfonyl)-2-methylbenzene-1-carbonyl]amino}-L-alanine

R4Q

R4Q
Name:	(3~{R})-1-[(2~{R})-2-[4-(2-chloranyl-4-fluoranyl-phenyl)-2-oxidanylidene-chromen-7-yl]oxypropanoyl]piperidine-3-carboxylic acid
Formula:	C24 H21 Cl F N O6
SMILES:	C[CH](Oc1ccc2c(OC(=O)C=C2c3ccc(F)cc3Cl)c1)C(=O)N4CCC[CH](C4)C(O)=O
InChi:	InChI=1S/C24H21ClFNO6/c1-13(23(29)27-8-2-3-14(12-27)24(30)31)32-16-5-7-18-19(11-22(28)33-21(18)10-16)17-6-4-15(26)9-20(17)25/h4-7,9-11,13-14H,2-3,8,12H2,1H3,(H,30,31)/t13-,14-/m1/s1
Definition date:	2020-09-01
Last modified:	2020-12-25
Release date:	2020-12-30
Identifier:	(3~{R})-1-[(2~{R})-2-[4-(2-chloranyl-4-fluoranyl-phenyl)-2-oxidanylidene-chromen-7-yl]oxypropanoyl]piperidine-3-carboxylic acid

PW5

PW5
Name:	4-[(5-bromanyl-4,6-dimethyl-pyridin-2-yl)amino]-4-oxidanylidene-butanoic acid
Formula:	C11 H13 Br N2 O3
SMILES:	Cc1cc(NC(=O)CCC(O)=O)nc(C)c1Br
InChi:	InChI=1S/C11H13BrN2O3/c1-6-5-8(13-7(2)11(6)12)14-9(15)3-4-10(16)17/h5H,3-4H2,1-2H3,(H,16,17)(H,13,14,15)
Definition date:	2020-04-29
Last modified:	2020-12-25
Release date:	2020-12-30
Identifier:	4-[(5-bromanyl-4,6-dimethyl-pyridin-2-yl)amino]-4-oxidanylidene-butanoic acid

QAH

QAH
Name:	[(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(3~{S})-2-azanylidene-3-oxidanyl-pent-4-enoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl] hydrogen sulfate
Formula:	C11 H19 N O10 S
SMILES:	OC[CH]1O[CH](OCC(=N)[CH](O)C=C)[CH](O)[CH](O[S](O)(=O)=O)[CH]1O
InChi:	InChI=1S/C11H19NO10S/c1-2-6(14)5(12)4-20-11-9(16)10(22-23(17,18)19)8(15)7(3-13)21-11/h2,6-16H,1,3-4H2,(H,17,18,19)/b12-5+/t6-,7+,8-,9+,10-,11+/m0/s1
Definition date:	2020-05-30
Last modified:	2020-12-25
Release date:	2020-12-30
Identifier:	[(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(3~{S})-2-azanylidene-3-oxidanyl-pent-4-enoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl] hydrogen sulfate

2JP

2JP
Name:	4-(isoquinolin-3-ylamino)-4-oxobutanoic acid
Formula:	C13 H12 N2 O3
SMILES:	O=C(O)CCC(=O)Nc2ncc1ccccc1c2
InChi:	InChI=1S/C13H12N2O3/c16-12(5-6-13(17)18)15-11-7-9-3-1-2-4-10(9)8-14-11/h1-4,7-8H,5-6H2,(H,17,18)(H,14,15,16)
Definition date:	2013-11-06
Last modified:	2020-12-25
Release date:	2020-12-30
Identifier:	4-(isoquinolin-3-ylamino)-4-oxobutanoic acid

NWK

NWK
Name:	2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-(2-morpholin-4-ylethoxy)-1,3-benzothiazole-6-carboxylic acid
Formula:	C20 H20 Cl2 N4 O5 S
SMILES:	Cc1[nH]c(C(=O)Nc2sc3cc(cc(OCCN4CCOCC4)c3n2)C(O)=O)c(Cl)c1Cl
InChi:	InChI=1S/C20H20Cl2N4O5S/c1-10-14(21)15(22)17(23-10)18(27)25-20-24-16-12(8-11(19(28)29)9-13(16)32-20)31-7-4-26-2-5-30-6-3-26/h8-9,23H,2-7H2,1H3,(H,28,29)(H,24,25,27)
Definition date:	2020-01-02
Last modified:	2020-12-25
Release date:	2020-12-30
Identifier:	2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-(2-morpholin-4-ylethoxy)-1,3-benzothiazole-6-carboxylic acid

P3K

P3K
Name:	2,3-bis(oxidanyl)benzenecarbonitrile
Formula:	C7 H5 N O2
SMILES:	Oc1cccc(C#N)c1O
InChi:	InChI=1S/C7H5NO2/c8-4-5-2-1-3-6(9)7(5)10/h1-3,9-10H
Definition date:	2020-04-14
Last modified:	2020-12-25
Release date:	2020-12-30
Identifier:	2,3-bis(oxidanyl)benzenecarbonitrile

UY7

UY7
Name:	(4S)-4-hydroxy-D-proline
Formula:	C5 H9 N O3
SMILES:	C1C(O)CNC1C(O)=O
InChi:	InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m0/s1
Definition date:	2020-06-04
Last modified:	2020-12-25
Release date:	2020-12-30
Identifier:	(4S)-4-hydroxy-D-proline

UYA

UYA
Name:	(4R)-4-hydroxy-D-proline
Formula:	C5 H9 N O3
SMILES:	N1CC(CC1C(O)=O)O
InChi:	InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m1/s1
Definition date:	2020-06-04
Last modified:	2020-12-25
Release date:	2020-12-30
Identifier:	(4R)-4-hydroxy-D-proline

UZG

UZG
Name:	2-[4-(3,4-dimethoxyphenoxy)phenyl]-1H-benzimidazole-6-carboximidamide
Formula:	C22 H20 N4 O3
SMILES:	COc1c(OC)ccc(c1)Oc2ccc(cc2)c4nc3ccc(cc3n4)C(=N)N
InChi:	InChI=1S/C22H20N4O3/c1-27-19-10-8-16(12-20(19)28-2)29-15-6-3-13(4-7-15)22-25-17-9-5-14(21(23)24)11-18(17)26-22/h3-12H,1-2H3,(H3,23,24)(H,25,26)
Definition date:	2020-06-08
Last modified:	2020-12-25
Release date:	2020-12-30
Identifier:	2-[4-(3,4-dimethoxyphenoxy)phenyl]-1H-benzimidazole-6-carboximidamide

V8G

V8G
Name:	trans-4-butylcyclohexane-1-carboxylic acid
Formula:	C11 H20 O2
SMILES:	C1C(C(=O)O)CCC(C1)CCCC
InChi:	InChI=1S/C11H20O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h9-10H,2-8H2,1H3,(H,12,13)/t9-,10-
Definition date:	2020-07-16
Last modified:	2020-12-25
Release date:	2020-12-30
Identifier:	trans-4-butylcyclohexane-1-carboxylic acid

VBS

VBS
Name:	(3S)-3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]-3-methyl-1,3-dihydro-2H-indol-2-one
Formula:	C28 H25 N7 O
SMILES:	c12c(ncnc1n(CC)c(n2)c3cnc(nc3)C)c5ccc6NC(C(C)(Cc4ccccc4)c6c5)=O
InChi:	InChI=1S/C28H25N7O/c1-4-35-25(20-14-29-17(2)30-15-20)34-24-23(31-16-32-26(24)35)19-10-11-22-21(12-19)28(3,27(36)33-22)13-18-8-6-5-7-9-18/h5-12,14-16H,4,13H2,1-3H3,(H,33,36)/t28-/m0/s1
Definition date:	2020-07-24
Last modified:	2020-12-25
Release date:	2020-12-30
Identifier:	(3S)-3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]-3-methyl-1,3-dihydro-2H-indol-2-one

VYY

VYY
Name:	4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide
Formula:	C16 H20 N4 O5 S2
SMILES:	N(C(NCCS(Nc1ccc(S(=O)(=O)N)cc1)(=O)=O)=O)c2ccc(C)cc2
InChi:	InChI=1S/C16H20N4O5S2/c1-12-2-4-13(5-3-12)19-16(21)18-10-11-26(22,23)20-14-6-8-15(9-7-14)27(17,24)25/h2-9,20H,10-11H2,1H3,(H2,17,24,25)(H2,18,19,21)
Definition date:	2020-09-22
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide

VZ1

VZ1
Name:	4-{[(2-{[(3,5-dimethylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide
Formula:	C17 H22 N4 O5 S2
SMILES:	c2c(NC(NCCS(Nc1ccc(S(=O)(=O)N)cc1)(=O)=O)=O)cc(cc2C)C
InChi:	InChI=1S/C17H22N4O5S2/c1-12-9-13(2)11-15(10-12)20-17(22)19-7-8-27(23,24)21-14-3-5-16(6-4-14)28(18,25)26/h3-6,9-11,21H,7-8H2,1-2H3,(H2,18,25,26)(H2,19,20,22)
Definition date:	2020-09-23
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	4-{[(2-{[(3,5-dimethylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide

VZD

VZD
Name:	4-{[(2-{[(4-fluorophenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide
Formula:	C15 H17 F N4 O5 S2
SMILES:	N(c1ccc(F)cc1)C(NCCS(Nc2ccc(cc2)S(N)(=O)=O)(=O)=O)=O
InChi:	InChI=1S/C15H17FN4O5S2/c16-11-1-3-12(4-2-11)19-15(21)18-9-10-26(22,23)20-13-5-7-14(8-6-13)27(17,24)25/h1-8,20H,9-10H2,(H2,17,24,25)(H2,18,19,21)
Definition date:	2020-09-23
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	4-{[(2-{[(4-fluorophenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide

G5L

G5L
Name:	7-[methyl-(phenylmethyl)amino]-2-oxidanylidene-chromene-3-carboxylic acid
Formula:	C18 H15 N O4
SMILES:	CN(Cc1ccccc1)c2ccc3C=C(C(O)=O)C(=O)Oc3c2
InChi:	InChI=1S/C18H15NO4/c1-19(11-12-5-3-2-4-6-12)14-8-7-13-9-15(17(20)21)18(22)23-16(13)10-14/h2-10H,11H2,1H3,(H,20,21)
Definition date:	2020-07-28
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	7-[methyl-(phenylmethyl)amino]-2-oxidanylidene-chromene-3-carboxylic acid

G5O

G5O
Name:	2-[[2-chloranyl-5-(phenylsulfonyl)phenyl]carbonylamino]benzoic acid
Formula:	C20 H14 Cl N O5 S
SMILES:	OC(=O)c1ccccc1NC(=O)c2cc(ccc2Cl)[S](=O)(=O)c3ccccc3
InChi:	InChI=1S/C20H14ClNO5S/c21-17-11-10-14(28(26,27)13-6-2-1-3-7-13)12-16(17)19(23)22-18-9-5-4-8-15(18)20(24)25/h1-12H,(H,22,23)(H,24,25)
Definition date:	2020-07-28
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	2-[[2-chloranyl-5-(phenylsulfonyl)phenyl]carbonylamino]benzoic acid

WT7

WT7
Name:	5'-O-[(S)-butoxy(hydroxy)phosphoryl]adenosine
Formula:	C14 H22 N5 O7 P
SMILES:	C1(C(C(C(O1)n3cnc2c(N)ncnc23)O)O)COP(OCCCC)(=O)O
InChi:	InChI=1S/C14H22N5O7P/c1-2-3-4-24-27(22,23)25-5-8-10(20)11(21)14(26-8)19-7-18-9-12(15)16-6-17-13(9)19/h6-8,10-11,14,20-21H,2-5H2,1H3,(H,22,23)(H2,15,16,17)/t8-,10-,11-,14-/m1/s1
Definition date:	2020-11-06
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	5'-O-[(S)-butoxy(hydroxy)phosphoryl]adenosine

WZD

WZD
Name:	N-[(furan-2-yl)methyl]-1H-benzimidazol-2-amine
Formula:	C12 H11 N3 O
SMILES:	c1cccc2c1nc(n2)NCc3ccco3
InChi:	InChI=1S/C12H11N3O/c1-2-6-11-10(5-1)14-12(15-11)13-8-9-4-3-7-16-9/h1-7H,8H2,(H2,13,14,15)
Definition date:	2020-11-18
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	N-[(furan-2-yl)methyl]-1H-benzimidazol-2-amine

XM2

XM2
Name:	N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide
Formula:	C32 H44 N4 O7
SMILES:	c1ccc(cc1)COC(NC(C(=O)NC(C(NC(CC2C(NCC2)=O)CO)=O)Cc3ccccc3)C(C)OC(C)(C)C)=O
InChi:	InChI=1S/C32H44N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h5-14,21,24-27,37H,15-20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21-,24+,25+,26+,27+/m1/s1
Definition date:	2020-08-13
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide

M7H

M7H
Name:	1-[4-[2-(4-methoxyphenyl)-5-methyl-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]ethanone
Formula:	C21 H24 N4 O2
SMILES:	COc1ccc(cc1)c2cnc3n(C)c(cc3n2)C4CCN(CC4)C(C)=O
InChi:	InChI=1S/C21H24N4O2/c1-14(26)25-10-8-16(9-11-25)20-12-18-21(24(20)2)22-13-19(23-18)15-4-6-17(27-3)7-5-15/h4-7,12-13,16H,8-11H2,1-3H3
Definition date:	2019-10-03
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	1-[4-[2-(4-methoxyphenyl)-5-methyl-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]ethanone

EGO

EGO
Name:	5-[5-(4-chloranyl-3-fluoranyl-phenyl)-4-methyl-pyrazol-1-yl]-2-phenylmethoxy-benzoic acid
Formula:	C24 H18 Cl F N2 O3
SMILES:	Cc1cnn(c2ccc(OCc3ccccc3)c(c2)C(O)=O)c1c4ccc(Cl)c(F)c4
InChi:	InChI=1S/C24H18ClFN2O3/c1-15-13-27-28(23(15)17-7-9-20(25)21(26)11-17)18-8-10-22(19(12-18)24(29)30)31-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,29,30)
Definition date:	2019-12-20
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	5-[5-(4-chloranyl-3-fluoranyl-phenyl)-4-methyl-pyrazol-1-yl]-2-phenylmethoxy-benzoic acid

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