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OPZ

OPZ
Name:	~{N}-[(4~{S},5~{R})-2-[2-(1~{H}-imidazol-4-yl)ethyl]-5-methyl-3-oxidanylidene-1,2-oxazolidin-4-yl]-2,3-bis(oxidanyl)benzamide
Formula:	C16 H18 N4 O5
SMILES:	C[CH]1ON(CCc2c[nH]cn2)C(=O)[CH]1NC(=O)c3cccc(O)c3O
InChi:	InChI=1S/C16H18N4O5/c1-9-13(19-15(23)11-3-2-4-12(21)14(11)22)16(24)20(25-9)6-5-10-7-17-8-18-10/h2-4,7-9,13,21-22H,5-6H2,1H3,(H,17,18)(H,19,23)/t9-,13+/m1/s1
Definition date:	2018-07-31
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	~{N}-[(4~{S},5~{R})-2-[2-(1~{H}-imidazol-4-yl)ethyl]-5-methyl-3-oxidanylidene-1,2-oxazolidin-4-yl]-2,3-bis(oxidanyl)benzamide

P70

P70
Name:	(E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-phenylalanine
Formula:	C17 H19 N2 O7 P
SMILES:	C(=O)(O)C(N=Cc1c(c(C)ncc1COP(O)(O)=O)O)Cc2ccccc2
InChi:	InChI=1S/C17H19N2O7P/c1-11-16(20)14(13(8-18-11)10-26-27(23,24)25)9-19-15(17(21)22)7-12-5-3-2-4-6-12/h2-6,8-9,15,20H,7,10H2,1H3,(H,21,22)(H2,23,24,25)/b19-9+/t15-/m0/s1
Definition date:	2018-06-22
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	(E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-phenylalanine

9R0

9R0
Name:	2-[2-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]-1,3-benzothiazole-6-carboxylic acid
Formula:	C28 H25 Cl2 N3 O4 S
SMILES:	c7c(Cl)c(c2noc(C1CC1)c2COC3CC6(C3)CN(c4sc5c(n4)ccc(c5)C(O)=O)CC6)c(cc7)Cl
InChi:	InChI=1S/C28H25Cl2N3O4S/c29-19-2-1-3-20(30)23(19)24-18(25(37-32-24)15-4-5-15)13-36-17-11-28(12-17)8-9-33(14-28)27-31-21-7-6-16(26(34)35)10-22(21)38-27/h1-3,6-7,10,15,17H,4-5,8-9,11-14H2,(H,34,35)/t17-,28+
Definition date:	2018-06-26
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	2-[(2r,4s)-2-{[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy}-6-azaspiro[3.4]octan-6-yl]-1,3-benzothiazole-6-carboxylic acid

9R3

9R3
Name:	2-[(1R,5S)-9-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-3-azabicyclo[3.3.1]nonan-3-yl]-1,3-benzothiazole-6-carboxylic acid
Formula:	C29 H27 Cl2 N3 O4 S
SMILES:	OC(c1cc2c(cc1)nc(s2)N3CC4C(C(C3)CCC4)OCc5c(onc5c6c(cccc6Cl)Cl)C7CC7)=O
InChi:	InChI=1S/C29H27Cl2N3O4S/c30-20-5-2-6-21(31)24(20)25-19(27(38-33-25)15-7-8-15)14-37-26-17-3-1-4-18(26)13-34(12-17)29-32-22-10-9-16(28(35)36)11-23(22)39-29/h2,5-6,9-11,15,17-18,26H,1,3-4,7-8,12-14H2,(H,35,36)/t17-,18+,26-
Definition date:	2018-06-26
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	2-[(9-anti)-9-{[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy}-3-azabicyclo[3.3.1]nonan-3-yl]-1,3-benzothiazole-6-carboxylic acid

9UQ

9UQ
Name:	(3~{R})-3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione
Formula:	C13 H16 N2 O2
SMILES:	CC[C]1(CCC(=O)NC1=O)c2ccc(N)cc2
InChi:	InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)/t13-/m1/s1
Definition date:	2017-07-14
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	(3~{R})-3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione

9UT

9UT
Name:	1,3-thiazole-2,4-dione
Formula:	C3 H3 N O2 S
SMILES:	O=C1NC(=O)[SH]=C1
InChi:	InChI=1S/C3H3NO2S/c5-2-1-7-3(6)4-2/h1,7H,(H,4,5,6)
Definition date:	2017-07-14
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	1,3-thiazole-2,4-dione

9UW

9UW
Name:	2-sulfanylideneimidazol-4-one
Formula:	C3 H2 N2 O S
SMILES:	O=C1NC(=S)N=C1
InChi:	InChI=1S/C3H2N2OS/c6-2-1-4-3(7)5-2/h1H,(H,5,6,7)
Definition date:	2017-07-14
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	2-sulfanylideneimidazol-4-one

9UZ

9UZ
Name:	piperidine-2,6-dione
Formula:	C5 H7 N O2
SMILES:	O=C1CCCC(=O)N1
InChi:	InChI=1S/C5H7NO2/c7-4-2-1-3-5(8)6-4/h1-3H2,(H,6,7,8)
Definition date:	2017-07-14
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	piperidine-2,6-dione

9V2

9V2
Name:	(3~{S})-3-ethyl-3-methyl-pyrrolidine-2,5-dione
Formula:	C7 H11 N O2
SMILES:	CC[C]1(C)CC(=O)NC1=O
InChi:	InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)/t7-/m0/s1
Definition date:	2017-07-14
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	(3~{S})-3-ethyl-3-methyl-pyrrolidine-2,5-dione

9Z9

9Z9
Name:	(3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en
Formula:	C34 H56 O5
SMILES:	CC34C2C(OC1(OCC(CC1)C)C2C)CC3C5C(CC4)C6(C)C(=CC5)CC(CC6)OCCC(COC)COC
InChi:	InChI=1S/C34H56O5/c1-22-9-15-34(38-19-22)23(2)31-30(39-34)18-29-27-8-7-25-17-26(37-16-12-24(20-35-5)21-36-6)10-13-32(25,3)28(27)11-14-33(29,31)4/h7,22-24,26-31H,8-21H2,1-6H3/t22-,23+,26+,27-,28+,29+,30+,31+,32+,33+,34-/m1/s1
Definition date:	2018-09-07
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	(3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en

5C5

5C5
Name:	(2R)-2-azanyl-3-[[2-(4-methoxyphenyl)-2-tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaenyl]sulfanyl]propanoic acid
Formula:	C25 H25 N O3 S
SMILES:	COc1ccc(cc1)[C]2(SC[CH](N)C(O)=O)c3ccccc3CCc4ccccc24
InChi:	InChI=1S/C25H25NO3S/c1-29-20-14-12-19(13-15-20)25(30-16-23(26)24(27)28)21-8-4-2-6-17(21)10-11-18-7-3-5-9-22(18)25/h2-9,12-15,23H,10-11,16,26H2,1H3,(H,27,28)/t23-/m0/s1
Definition date:	2018-04-19
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	(2~{R})-2-azanyl-3-[[2-(4-methoxyphenyl)-2-tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaenyl]sulfanyl]propanoic acid

B8E

B8E
Name:	methyl 2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethanoate
Formula:	C13 H13 N O2 S
SMILES:	COC(=O)Cc1nc(sc1C)c2ccccc2
InChi:	InChI=1S/C13H13NO2S/c1-9-11(8-12(15)16-2)14-13(17-9)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
Definition date:	2017-09-22
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	methyl 2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethanoate

BFK

BFK
Name:	[3-[[5-methyl-2-[[3-(4-methylpiperazin-1-yl)-5-methylsulfonyl-phenyl]amino]pyrimidin-4-yl]amino]phenyl]methanol
Formula:	C24 H30 N6 O3 S
SMILES:	CN1CCN(CC1)c2cc(Nc3ncc(C)c(Nc4cccc(CO)c4)n3)cc(c2)[S](C)(=O)=O
InChi:	InChI=1S/C24H30N6O3S/c1-17-15-25-24(28-23(17)26-19-6-4-5-18(11-19)16-31)27-20-12-21(14-22(13-20)34(3,32)33)30-9-7-29(2)8-10-30/h4-6,11-15,31H,7-10,16H2,1-3H3,(H2,25,26,27,28)
Definition date:	2017-09-29
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	[3-[[5-methyl-2-[[3-(4-methylpiperazin-1-yl)-5-methylsulfonyl-phenyl]amino]pyrimidin-4-yl]amino]phenyl]methanol

4C5

4C5
Name:	(2R)-2-azanyl-3-[(4-methoxyphenyl)-diphenyl-methyl]sulfanyl-propanoic acid
Formula:	C23 H23 N O3 S
SMILES:	COc1ccc(cc1)C(SC[CH](N)C(O)=O)(c2ccccc2)c3ccccc3
InChi:	InChI=1S/C23H23NO3S/c1-27-20-14-12-19(13-15-20)23(17-8-4-2-5-9-17,18-10-6-3-7-11-18)28-16-21(24)22(25)26/h2-15,21H,16,24H2,1H3,(H,25,26)/t21-/m0/s1
Definition date:	2018-04-19
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	(2~{R})-2-azanyl-3-[(4-methoxyphenyl)-diphenyl-methyl]sulfanyl-propanoic acid

CJK

CJK
Name:	1-[(4-methylphenyl)methyl]-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea
Formula:	C15 H17 N3 O4 S
SMILES:	Cc1ccc(CNC(=O)Nc2cc(ccc2O)[S](N)(=O)=O)cc1
InChi:	InChI=1S/C15H17N3O4S/c1-10-2-4-11(5-3-10)9-17-15(20)18-13-8-12(23(16,21)22)6-7-14(13)19/h2-8,19H,9H2,1H3,(H2,16,21,22)(H2,17,18,20)
Definition date:	2017-11-28
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	1-[(4-methylphenyl)methyl]-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea

CVG

CVG
Name:	6-methylpyridazin-3-ol
Formula:	C5 H6 N2 O
SMILES:	c1cc(O)nnc1C
InChi:	InChI=1S/C5H6N2O/c1-4-2-3-5(8)7-6-4/h2-3H,1H3,(H,7,8)
Definition date:	2017-10-05
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	6-methylpyridazin-3-ol

CXJ

CXJ
Name:	(2S)-(3,5-difluorophenyl)(hydroxy)acetic acid
Formula:	C8 H6 F2 O3
SMILES:	c1c(cc(F)cc1C(C(O)=O)O)F
InChi:	InChI=1S/C8H6F2O3/c9-5-1-4(2-6(10)3-5)7(11)8(12)13/h1-3,7,11H,(H,12,13)/t7-/m0/s1
Definition date:	2017-10-05
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	(2S)-(3,5-difluorophenyl)(hydroxy)acetic acid

CZD

CZD
Name:	(8S,11S,14S)-14-{[(2S)-4-amino-2-{[2-(4-tert-butylphenyl)-4-methylpyrimidine-5-carbonyl]amino}butanoyl](methyl)amino}-3,18-bis(2-aminoethoxy)-N-[(2Z)-2-iminoethyl]-11-methyl-10,13-dioxo-9,12-diazatricyclo[13.3.1.1~2,6~]icosa-1(19),2(20),3,5,15,17-hexaene-8-carboxamide
Formula:	C47 H61 N11 O7
SMILES:	c1(ncc(c(n1)C)C(NC(CCN)C(N(C)C4c2cc(c(cc2)OCCN)c3c(ccc(c3)CC(NC(C(C)NC4=O)=O)C(=O)NCC=N)OCCN)=O)=O)c5ccc(C(C)(C)C)cc5
InChi:	InChI=1S/C47H61N11O7/c1-27-35(26-53-41(54-27)30-8-11-32(12-9-30)47(3,4)5)43(60)56-36(15-16-48)46(63)58(6)40-31-10-14-39(65-22-19-51)34(25-31)33-23-29(7-13-38(33)64-21-18-50)24-37(44(61)52-20-17-49)57-42(59)28(2)55-45(40)62/h7-14,17,23,25-26,28,36-37,40,49H,15-16,18-22,24,48,50-51H2,1-6H3,(H,52,61)(H,55,62)(H,56,60)(H,57,59)/b49-17-/t28-,36-,37-,40-/m0/s1
Definition date:	2017-10-06
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	(8S,11S,14S)-14-{[(2S)-4-amino-2-{[2-(4-tert-butylphenyl)-4-methylpyrimidine-5-carbonyl]amino}butanoyl](methyl)amino}-3,18-bis(2-aminoethoxy)-N-[(2Z)-2-iminoethyl]-11-methyl-10,13-dioxo-9,12-diazatricyclo[13.3.1.1~2,6~]icosa-1(19),2(20),3,5,15,17-hexaene-8-carboxamide

D0G

D0G
Name:	(14S)-14-methylhexadecanoic acid
Formula:	C17 H34 O2
SMILES:	C(CCCCCCCCCCC(C)CC)CC(O)=O
InChi:	InChI=1S/C17H34O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)/t16-/m0/s1
Definition date:	2017-10-11
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	(14S)-14-methylhexadecanoic acid

D3B

D3B
Name:	1-(2,5-dimethylphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea
Formula:	C15 H17 N3 O4 S
SMILES:	Cc1ccc(C)c(NC(=O)Nc2cc(ccc2O)[S](N)(=O)=O)c1
InChi:	InChI=1S/C15H17N3O4S/c1-9-3-4-10(2)12(7-9)17-15(20)18-13-8-11(23(16,21)22)5-6-14(13)19/h3-8,19H,1-2H3,(H2,16,21,22)(H2,17,18,20)
Definition date:	2017-12-15
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	1-(2,5-dimethylphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea

BLJ

BLJ
Name:	(2S)-2-amino-4-[hydroxy(methyl)arsoryl]butanoic acid
Formula:	C5 H12 As N O4
SMILES:	[As](CCC(C(=O)O)N)(=O)(O)C
InChi:	InChI=1S/C5H12AsNO4/c1-6(10,11)3-2-4(7)5(8)9/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1
Definition date:	2017-08-14
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	(2S)-2-amino-4-[hydroxy(methyl)arsoryl]butanoic acid

DSJ

DSJ
Name:	1-(4-amino-2-hydroxyphenyl)ethan-1-one
Formula:	C8 H9 N O2
SMILES:	c1(O)cc(ccc1C(=O)C)N
InChi:	InChI=1S/C8H9NO2/c1-5(10)7-3-2-6(9)4-8(7)11/h2-4,11H,9H2,1H3
Definition date:	2017-11-02
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	1-(4-amino-2-hydroxyphenyl)ethan-1-one

E7Z

E7Z
Name:	1-methyl-5-oxidanyl-4-oxidanylidene-pyridine-2-carboxylic acid
Formula:	C7 H7 N O4
SMILES:	CN1C=C(O)C(=O)C=C1C(O)=O
InChi:	InChI=1S/C7H7NO4/c1-8-3-6(10)5(9)2-4(8)7(11)12/h2-3,10H,1H3,(H,11,12)
Definition date:	2018-02-27
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	1-methyl-5-oxidanyl-4-oxidanylidene-pyridine-2-carboxylic acid

EON

EON
Name:	1-(2-methoxyphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea
Formula:	C14 H15 N3 O5 S
SMILES:	COc1ccccc1NC(=O)Nc2cc(ccc2O)[S](N)(=O)=O
InChi:	InChI=1S/C14H15N3O5S/c1-22-13-5-3-2-4-10(13)16-14(19)17-11-8-9(23(15,20)21)6-7-12(11)18/h2-8,18H,1H3,(H2,15,20,21)(H2,16,17,19)
Definition date:	2018-04-05
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	1-(2-methoxyphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea

AY2

AY2
Name:	~{N}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide
Formula:	C25 H23 N3 O4
SMILES:	CCOc1ccc(cc1c2cc(NC(=O)c3occc3)cc(c2)c4ccn(C)n4)C(C)=O
InChi:	InChI=1S/C25H23N3O4/c1-4-31-23-8-7-17(16(2)29)15-21(23)18-12-19(22-9-10-28(3)27-22)14-20(13-18)26-25(30)24-6-5-11-32-24/h5-15H,4H2,1-3H3,(H,26,30)
Definition date:	2017-08-30
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	~{N}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide

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