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NUY

NUY
Name:	[4-(propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone
Formula:	C12 H18 N2 O S
SMILES:	N1(C(C)C)CCN(CC1)C(c2cccs2)=O
InChi:	InChI=1S/C12H18N2OS/c1-10(2)13-5-7-14(8-6-13)12(15)11-4-3-9-16-11/h3-4,9-10H,5-8H2,1-2H3
Definition date:	2019-05-28
Last modified:	2019-07-05
Release date:	2019-07-10
Identifier:	[4-(propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone

NWP

NWP
Name:	(2R)-N,2-dimethyl-N-(propan-2-yl)morpholine-4-sulfonamide
Formula:	C9 H20 N2 O3 S
SMILES:	N1(S(N(C(C)C)C)(=O)=O)CCOC(C)C1
InChi:	InChI=1S/C9H20N2O3S/c1-8(2)10(4)15(12,13)11-5-6-14-9(3)7-11/h8-9H,5-7H2,1-4H3/t9-/m1/s1
Definition date:	2019-05-29
Last modified:	2019-07-05
Release date:	2019-07-10
Identifier:	(2R)-N,2-dimethyl-N-(propan-2-yl)morpholine-4-sulfonamide

NXJ

NXJ
Name:	(1S)-N,2,2-trimethyl-N-(pyridin-3-yl)cyclopropane-1-carboxamide
Formula:	C12 H16 N2 O
SMILES:	n2cccc(N(C)C(=O)C1C(C1)(C)C)c2
InChi:	InChI=1S/C12H16N2O/c1-12(2)7-10(12)11(15)14(3)9-5-4-6-13-8-9/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1
Definition date:	2019-05-29
Last modified:	2019-07-05
Release date:	2019-07-10
Identifier:	(1S)-N,2,2-trimethyl-N-(pyridin-3-yl)cyclopropane-1-carboxamide

NY4

NY4
Name:	N-{4-[(1S)-1-aminoethyl]phenyl}cyclopropanecarboxamide
Formula:	C12 H16 N2 O
SMILES:	NC(C)c1ccc(cc1)NC(=O)C2CC2
InChi:	InChI=1S/C12H16N2O/c1-8(13)9-4-6-11(7-5-9)14-12(15)10-2-3-10/h4-8,10H,2-3,13H2,1H3,(H,14,15)/t8-/m0/s1
Definition date:	2019-05-29
Last modified:	2019-07-05
Release date:	2019-07-10
Identifier:	N-{4-[(1S)-1-aminoethyl]phenyl}cyclopropanecarboxamide

NYV

NYV
Name:	1-(propan-2-yl)-1H-imidazole-4-sulfonamide
Formula:	C6 H11 N3 O2 S
SMILES:	n1(cnc(S(N)(=O)=O)c1)C(C)C
InChi:	InChI=1S/C6H11N3O2S/c1-5(2)9-3-6(8-4-9)12(7,10)11/h3-5H,1-2H3,(H2,7,10,11)
Definition date:	2019-05-29
Last modified:	2019-07-05
Release date:	2019-07-10
Identifier:	1-(propan-2-yl)-1H-imidazole-4-sulfonamide

A8C

A8C
Name:	3-(methylsulfanyl)propanoic acid
Formula:	C4 H8 O2 S
SMILES:	CSCCC(=O)O
InChi:	InChI=1S/C4H8O2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6)
Definition date:	2018-10-18
Last modified:	2019-06-28
Release date:	2019-07-03
Identifier:	3-(methylsulfanyl)propanoic acid

JUE

JUE
Name:	~{N}-[(1~{R})-1-(4-methoxyphenyl)-2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]-2-oxidanylidene-3~{H}-pyridine-5-carboxamide
Formula:	C24 H25 N3 O4
SMILES:	COc1ccc(cc1)[CH](NC(=O)C2=CCC(=O)N=C2)C(=O)Nc3ccc(cc3)C(C)C
InChi:	InChI=1S/C24H25N3O4/c1-15(2)16-4-9-19(10-5-16)26-24(30)22(17-6-11-20(31-3)12-7-17)27-23(29)18-8-13-21(28)25-14-18/h4-12,14-15,22H,13H2,1-3H3,(H,26,30)(H,27,29)/t22-/m1/s1
Definition date:	2019-03-28
Last modified:	2019-06-28
Release date:	2019-07-03
Identifier:	~{N}-[(1~{R})-1-(4-methoxyphenyl)-2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]-2-oxidanylidene-3~{H}-pyridine-5-carboxamide

JUH

JUH
Name:	(2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-2-(2-phenylethanoylamino)ethanamide
Formula:	C27 H24 F6 N2 O5 S
SMILES:	CC[S](=O)(=O)c1ccc(cc1)[CH](NC(=O)Cc2ccccc2)C(=O)Nc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F
InChi:	InChI=1S/C27H24F6N2O5S/c1-2-41(39,40)21-14-8-18(9-15-21)23(35-22(36)16-17-6-4-3-5-7-17)24(37)34-20-12-10-19(11-13-20)25(38,26(28,29)30)27(31,32)33/h3-15,23,38H,2,16H2,1H3,(H,34,37)(H,35,36)/t23-/m1/s1
Definition date:	2019-03-29
Last modified:	2019-06-28
Release date:	2019-07-03
Identifier:	(2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-2-(2-phenylethanoylamino)ethanamide

JUN

JUN
Name:	(2~{R})-2-acetamido-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]ethanamide
Formula:	C21 H20 F6 N2 O5 S
SMILES:	CC[S](=O)(=O)c1ccc(cc1)[CH](NC(C)=O)C(=O)Nc2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F
InChi:	InChI=1S/C21H20F6N2O5S/c1-3-35(33,34)16-10-4-13(5-11-16)17(28-12(2)30)18(31)29-15-8-6-14(7-9-15)19(32,20(22,23)24)21(25,26)27/h4-11,17,32H,3H2,1-2H3,(H,28,30)(H,29,31)/t17-/m1/s1
Definition date:	2019-03-29
Last modified:	2019-06-28
Release date:	2019-07-03
Identifier:	(2~{R})-2-acetamido-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]ethanamide

K8Y

K8Y
Name:	4-[(3-carboxypropanoyl)amino]benzene-1,2-dicarboxylic acid
Formula:	C12 H11 N O7
SMILES:	c1c(cc(C(O)=O)c(C(O)=O)c1)NC(CCC(O)=O)=O
InChi:	InChI=1S/C12H11NO7/c14-9(3-4-10(15)16)13-6-1-2-7(11(17)18)8(5-6)12(19)20/h1-2,5H,3-4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
Definition date:	2018-11-09
Last modified:	2019-06-28
Release date:	2019-07-03
Identifier:	4-[(3-carboxypropanoyl)amino]benzene-1,2-dicarboxylic acid

H3Z

H3Z
Name:	4-propan-2-ylphenol
Formula:	C9 H12 O
SMILES:	CC(C)c1ccc(O)cc1
InChi:	InChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3
Definition date:	2018-11-15
Last modified:	2019-06-28
Release date:	2019-07-03
Identifier:	4-propan-2-ylphenol

NQJ

NQJ
Name:	methyl N-(5-{[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl}-4-methylthiophene-2-carbonyl)-D-phenylalaninate
Formula:	C23 H20 Cl F3 N2 O5 S2
SMILES:	COC(C(Cc1ccccc1)NC(c3cc(C)c(S(Nc2c(ccc(c2)C(F)(F)F)Cl)(=O)=O)s3)=O)=O
InChi:	InChI=1S/C23H20ClF3N2O5S2/c1-13-10-19(20(30)28-18(21(31)34-2)11-14-6-4-3-5-7-14)35-22(13)36(32,33)29-17-12-15(23(25,26)27)8-9-16(17)24/h3-10,12,18,29H,11H2,1-2H3,(H,28,30)/t18-/m1/s1
Definition date:	2019-05-24
Last modified:	2019-06-28
Release date:	2019-07-03
Identifier:	methyl N-(5-{[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl}-4-methylthiophene-2-carbonyl)-D-phenylalaninate

P5U

P5U
Name:	O-[(4-cyanophenyl)sulfonyl]-L-serine
Formula:	C10 H10 N2 O5 S
SMILES:	NC(C(=O)O)COS(c1ccc(cc1)C#N)(=O)=O
InChi:	InChI=1S/C10H10N2O5S/c11-5-7-1-3-8(4-2-7)18(15,16)17-6-9(12)10(13)14/h1-4,9H,6,12H2,(H,13,14)/t9-/m0/s1
Definition date:	2018-06-28
Last modified:	2019-06-28
Release date:	2019-07-03
Identifier:	O-[(4-cyanophenyl)sulfonyl]-L-serine

8DZ

8DZ
Name:	(1,4-diazepane-1,4-diyl)di(propane-3,1-diyl) bis(3,4,5-trimethoxybenzoate)
Formula:	C31 H44 N2 O10
SMILES:	COc3cc(C(OCCCN2CCCN(CCCOC(=O)c1cc(c(c(c1)OC)OC)OC)CC2)=O)cc(c3OC)OC
InChi:	InChI=1S/C31H44N2O10/c1-36-24-18-22(19-25(37-2)28(24)40-5)30(34)42-16-8-12-32-10-7-11-33(15-14-32)13-9-17-43-31(35)23-20-26(38-3)29(41-6)27(21-23)39-4/h18-21H,7-17H2,1-6H3
Definition date:	2019-03-21
Last modified:	2019-06-28
Release date:	2019-07-03
Identifier:	(1,4-diazepane-1,4-diyl)di(propane-3,1-diyl) bis(3,4,5-trimethoxybenzoate)

G4B

G4B
Name:	THALASSOSPIRAMIDE C
Formula:	C43 H61 N5 O9
SMILES:	CCCCCCC=CCC(=O)N[CH](Cc1ccc(O)cc1)C(=O)N[CH](C(C)C)C(=O)N[CH]2CCC(=O)N[CH](C(C)C)C(=O)N[CH](Cc3ccc(O)cc3)C(=O)OC2
InChi:	InChI=1S/C43H61N5O9/c1-6-7-8-9-10-11-12-13-36(51)45-34(24-29-14-19-32(49)20-15-29)40(53)48-39(28(4)5)41(54)44-31-18-23-37(52)47-38(27(2)3)42(55)46-35(43(56)57-26-31)25-30-16-21-33(50)22-17-30/h11-12,14-17,19-22,27-28,31,34-35,38-39,49-50H,6-10,13,18,23-26H2,1-5H3,(H,44,54)(H,45,51)(H,46,55)(H,47,52)(H,48,53)/b12-11-/t31-,34+,35+,38+,39+/m1/s1
Definition date:	2018-08-24
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	(~{Z})-~{N}-[(2~{S})-3-(4-hydroxyphenyl)-1-[[(2~{S})-1-[[(3~{S},6~{S},11~{R})-3-[(4-hydroxyphenyl)methyl]-2,5,8-tris(oxidanylidene)-6-propan-2-yl-1-oxa-4,7-diazacyclododec-11-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]dec-3-enamide

KBS

KBS
Name:	2-[(4-methoxyphenyl)sulfanyl]-5-[methyl(propan-2-yl)sulfamoyl]benzoic acid
Formula:	C18 H21 N O5 S2
SMILES:	c1c(ccc(c1C(=O)O)Sc2ccc(OC)cc2)S(N(C)C(C)C)(=O)=O
InChi:	InChI=1S/C18H21NO5S2/c1-12(2)19(3)26(22,23)15-9-10-17(16(11-15)18(20)21)25-14-7-5-13(24-4)6-8-14/h5-12H,1-4H3,(H,20,21)
Definition date:	2018-11-19
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	2-[(4-methoxyphenyl)sulfanyl]-5-[methyl(propan-2-yl)sulfamoyl]benzoic acid

KBY

KBY
Name:	N-[(3R)-4-(4-tert-butylphenyl)-3-({2-[(4-methoxyphenyl)sulfanyl]-5-[methyl(propan-2-yl)sulfamoyl]benzene-1-carbonyl}amino)butanoyl]glycine
Formula:	C34 H43 N3 O7 S2
SMILES:	c1c(ccc(c1C(=O)NC(Cc2ccc(C(C)(C)C)cc2)CC(=O)NCC(=O)O)Sc3ccc(OC)cc3)S(N(C)C(C)C)(=O)=O
InChi:	InChI=1S/C34H43N3O7S2/c1-22(2)37(6)46(42,43)28-16-17-30(45-27-14-12-26(44-7)13-15-27)29(20-28)33(41)36-25(19-31(38)35-21-32(39)40)18-23-8-10-24(11-9-23)34(3,4)5/h8-17,20,22,25H,18-19,21H2,1-7H3,(H,35,38)(H,36,41)(H,39,40)/t25-/m1/s1
Definition date:	2018-11-19
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	N-[(3R)-4-(4-tert-butylphenyl)-3-({2-[(4-methoxyphenyl)sulfanyl]-5-[methyl(propan-2-yl)sulfamoyl]benzene-1-carbonyl}amino)butanoyl]glycine

N9Y

N9Y
Name:	(3S)-2-{(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl}-N-(pyridin-2-yl)hexahydropyridazine-3-carboxamide
Formula:	C20 H29 N5 O4
SMILES:	C(N(C=O)O)C(CC1CCCC1)C(N2C(CCCN2)C(=O)Nc3ccccn3)=O
InChi:	InChI=1S/C20H29N5O4/c26-14-24(29)13-16(12-15-6-1-2-7-15)20(28)25-17(8-5-11-22-25)19(27)23-18-9-3-4-10-21-18/h3-4,9-10,14-17,22,29H,1-2,5-8,11-13H2,(H,21,23,27)/t16-,17+/m1/s1
Definition date:	2019-05-10
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	(3S)-2-{(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl}-N-(pyridin-2-yl)hexahydropyridazine-3-carboxamide

NB4

NB4
Name:	(2R)-2-(cyclopentylmethyl)-N'-{5-fluoro-6-[(9aS)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-2-methylpyrimidin-4-yl}-3-[hydroxy(hydroxymethyl)amino]propanehydrazide
Formula:	C22 H36 F N7 O4
SMILES:	C(C1CCCC1)C(C(NNc2nc(C)nc(c2F)N4CCN3CCOCC3C4)=O)CN(CO)O
InChi:	InChI=1S/C22H36FN7O4/c1-15-24-20(19(23)21(25-15)29-7-6-28-8-9-34-13-18(28)12-29)26-27-22(32)17(11-30(33)14-31)10-16-4-2-3-5-16/h16-18,31,33H,2-14H2,1H3,(H,27,32)(H,24,25,26)/t17-,18+/m1/s1
Definition date:	2019-05-10
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	(2R)-2-(cyclopentylmethyl)-N'-{5-fluoro-6-[(9aS)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-2-methylpyrimidin-4-yl}-3-[hydroxy(hydroxymethyl)amino]propanehydrazide

O3S

O3S
Name:	N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]propanamide
Formula:	C17 H24 N4 O
SMILES:	CCC(=O)Nc1cc(ccc1)c2c(cnc2)CN(C)CCN
InChi:	InChI=1S/C17H24N4O/c1-3-17(22)20-15-6-4-5-13(9-15)16-11-19-10-14(16)12-21(2)8-7-18/h4-6,9-11,19H,3,7-8,12,18H2,1-2H3,(H,20,22)
Definition date:	2019-06-06
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]propanamide

O6D

O6D
Name:	(2S)-2-{[4-(3-amino-4-methylphenyl)-6-methylpyrimidin-2-yl]oxy}-3-methoxy-3,3-diphenylpropanoic acid
Formula:	C28 H27 N3 O4
SMILES:	c1(N)c(ccc(c1)c2cc(C)nc(n2)OC(C(O)=O)C(OC)(c3ccccc3)c4ccccc4)C
InChi:	InChI=1S/C28H27N3O4/c1-18-14-15-20(17-23(18)29)24-16-19(2)30-27(31-24)35-25(26(32)33)28(34-3,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17,25H,29H2,1-3H3,(H,32,33)/t25-/m1/s1
Definition date:	2019-06-12
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	(2S)-2-{[4-(3-amino-4-methylphenyl)-6-methylpyrimidin-2-yl]oxy}-3-methoxy-3,3-diphenylpropanoic acid

9O0

9O0
Name:	(2R)-3,3,3-trifluoro-2-hydroxypropanoic acid
Formula:	C3 H3 F3 O3
SMILES:	OC(=O)C(C(F)(F)F)O
InChi:	InChI=1S/C3H3F3O3/c4-3(5,6)1(7)2(8)9/h1,7H,(H,8,9)/t1-/m1/s1
Definition date:	2018-06-11
Last modified:	2019-06-14
Release date:	2019-06-19
Identifier:	(2R)-3,3,3-trifluoro-2-hydroxypropanoic acid

9O3

9O3
Name:	3,3,3-trifluoro-2,2-dihydroxypropanoic acid
Formula:	C3 H3 F3 O4
SMILES:	C(C(C(O)=O)(O)O)(F)(F)F
InChi:	InChI=1S/C3H3F3O4/c4-3(5,6)2(9,10)1(7)8/h9-10H,(H,7,8)
Definition date:	2018-06-12
Last modified:	2019-06-14
Release date:	2019-06-19
Identifier:	3,3,3-trifluoro-2,2-dihydroxypropanoic acid

9O6

9O6
Name:	(2R,3S)-3-fluoro-2-hydroxy-3-phenylpropanoic acid
Formula:	C9 H9 F O3
SMILES:	c1cccc(c1)C(C(O)C(=O)O)F
InChi:	InChI=1S/C9H9FO3/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8,11H,(H,12,13)/t7-,8-/m0/s1
Definition date:	2018-06-12
Last modified:	2019-06-14
Release date:	2019-06-19
Identifier:	(2R,3S)-3-fluoro-2-hydroxy-3-phenylpropanoic acid

9NL

9NL
Name:	(2R)-3,3-difluoro-2-hydroxy-3-phenylpropanoic acid
Formula:	C9 H8 F2 O3
SMILES:	OC(=O)C(C(c1ccccc1)(F)F)O
InChi:	InChI=1S/C9H8F2O3/c10-9(11,7(12)8(13)14)6-4-2-1-3-5-6/h1-5,7,12H,(H,13,14)/t7-/m1/s1
Definition date:	2018-06-06
Last modified:	2019-06-14
Release date:	2019-06-19
Identifier:	(2R)-3,3-difluoro-2-hydroxy-3-phenylpropanoic acid

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