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9AO

9AO
Name:	N~2~-(diphenylacetyl)-N-[(4-hydroxyphenyl)methyl]-N~5~-(N'-{[2-(propanoylamino)ethyl]carbamoyl}carbamimidoyl)-D-ornithinamide
Formula:	C33 H41 N7 O5
SMILES:	C(C(NCCNC(/N=C(N)NCCCC(C(=O)NCc1ccc(O)cc1)NC(=O)C(c2ccccc2)c3ccccc3)=O)=O)C
InChi:	InChI=1S/C33H41N7O5/c1-2-28(42)35-20-21-37-33(45)40-32(34)36-19-9-14-27(30(43)38-22-23-15-17-26(41)18-16-23)39-31(44)29(24-10-5-3-6-11-24)25-12-7-4-8-13-25/h3-8,10-13,15-18,27,29,41H,2,9,14,19-22H2,1H3,(H,35,42)(H,38,43)(H,39,44)(H4,34,36,37,40,45)/t27-/m1/s1
Definition date:	2018-02-15
Last modified:	2018-04-20
Release date:	2018-04-25
Identifier:	N~2~-(diphenylacetyl)-N-[(4-hydroxyphenyl)methyl]-N~5~-(N'-{[2-(propanoylamino)ethyl]carbamoyl}carbamimidoyl)-D-ornithinamide

9AY

9AY
Name:	4-methylbenzene-1,2-diamine
Formula:	C7 H10 N2
SMILES:	c1cc(C)cc(c1N)N
InChi:	InChI=1S/C7H10N2/c1-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H3
Definition date:	2017-04-14
Last modified:	2018-04-20
Release date:	2018-04-25
Identifier:	4-methylbenzene-1,2-diamine

9D7

9D7
Name:	[4-(15-phenylporphyrin-5-yl-kappa~4~N~21~,N~22~,N~23~,N~24~)benzoato(2-)]zinc
Formula:	C33 H20 N4 O2 Zn
SMILES:	C1=CC=3N2=C1C(=C7N6[Zn]25n4c(ccc4C=3)C(=C8N5=C(C=C6C=C7)C=C8)c9ccc(cc9)C(O)=O)c%10ccccc%10
InChi:	InChI=1S/C33H21N4O2.Zn/c38-33(39)22-8-6-21(7-9-22)32-29-16-12-25(36-29)18-23-10-14-27(34-23)31(20-4-2-1-3-5-20)28-15-11-24(35-28)19-26-13-17-30(32)37-26
Definition date:	2017-04-20
Last modified:	2018-04-20
Release date:	2018-04-25
Identifier:	[4-(15-phenylporphyrin-5-yl-kappa~4~N~21~,N~22~,N~23~,N~24~)benzoato(2-)]zinc

9EG

9EG
Name:	N-(4-chlorophenyl)-N'-(3,4-dichlorophenyl)urea
Formula:	C13 H9 Cl3 N2 O
SMILES:	c2c(NC(Nc1ccc(Cl)cc1)=O)ccc(c2Cl)Cl
InChi:	InChI=1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19)
Definition date:	2017-04-26
Last modified:	2018-04-20
Release date:	2018-04-25
Identifier:	N-(4-chlorophenyl)-N'-(3,4-dichlorophenyl)urea

8WG

8WG
Name:	N-[1-({1-[(4-chlorophenyl)methyl]-1H-pyrazol-4-yl}methyl)azetidin-3-yl]-1-cyclopropyl-1H-1,2,3-triazole-4-carboxamide
Formula:	C20 H22 Cl N7 O
SMILES:	c1(Cl)ccc(cc1)Cn5cc(CN4CC(NC(c2nnn(c2)C3CC3)=O)C4)cn5
InChi:	InChI=1S/C20H22ClN7O/c21-16-3-1-14(2-4-16)9-27-10-15(7-22-27)8-26-11-17(12-26)23-20(29)19-13-28(25-24-19)18-5-6-18/h1-4,7,10,13,17-18H,5-6,8-9,11-12H2,(H,23,29)
Definition date:	2017-03-10
Last modified:	2018-04-20
Release date:	2018-04-25
Identifier:	N-[1-({1-[(4-chlorophenyl)methyl]-1H-pyrazol-4-yl}methyl)azetidin-3-yl]-1-cyclopropyl-1H-1,2,3-triazole-4-carboxamide

CG7

CG7
Name:	5-{[6-chloro-5-(2'-hydroxy[1,1'-biphenyl]-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy}-2-methylbenzoic acid
Formula:	C26 H18 Cl N3 O4
SMILES:	OC(c1cc(ccc1C)Oc2nc3c(n2)cc(Cl)c(n3)c4ccc(cc4)c5c(cccc5)O)=O
InChi:	InChI=1S/C26H18ClN3O4/c1-14-6-11-17(12-19(14)25(32)33)34-26-28-21-13-20(27)23(29-24(21)30-26)16-9-7-15(8-10-16)18-4-2-3-5-22(18)31/h2-13,31H,1H3,(H,32,33)(H,28,29,30)
Definition date:	2017-09-21
Last modified:	2018-04-20
Release date:	2018-04-25
Identifier:	5-{[6-chloro-5-(2'-hydroxy[1,1'-biphenyl]-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy}-2-methylbenzoic acid

CWY

CWY
Name:	(1S,2S,4S,5R,6S)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
Formula:	C16 H18 N2 O6
SMILES:	OC(C3(CC(NC(=O)c1cc(OC)ccc1)C2C(C(O)=O)C23)N)=O
InChi:	InChI=1S/C16H18N2O6/c1-24-8-4-2-3-7(5-8)13(19)18-9-6-16(17,15(22)23)12-10(9)11(12)14(20)21/h2-5,9-12H,6,17H2,1H3,(H,18,19)(H,20,21)(H,22,23)/t9-,10-,11-,12-,16-/m0/s1
Definition date:	2017-10-05
Last modified:	2018-04-20
Release date:	2018-04-25
Identifier:	(1S,2S,4S,5R,6S)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid

8E3

8E3
Name:	6-fluoranyl-2-(4,5,6,7-tetrahydrofuro[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide
Formula:	C15 H13 F N4 O2
SMILES:	NC(=O)c1cc(F)cc2[nH]c(nc12)c3oc4CNCCc4c3
InChi:	InChI=1S/C15H13FN4O2/c16-8-4-9(14(17)21)13-10(5-8)19-15(20-13)11-3-7-1-2-18-6-12(7)22-11/h3-5,18H,1-2,6H2,(H2,17,21)(H,19,20)
Definition date:	2017-06-20
Last modified:	2018-04-20
Release date:	2018-04-25
Identifier:	6-fluoranyl-2-(4,5,6,7-tetrahydrofuro[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide

8E6

8E6
Name:	6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide
Formula:	C15 H13 F N4 O S
SMILES:	NC(=O)c1cc(F)cc2[nH]c(nc12)c3sc4CCNCc4c3
InChi:	InChI=1S/C15H13FN4OS/c16-8-4-9(14(17)21)13-10(5-8)19-15(20-13)12-3-7-6-18-2-1-11(7)22-12/h3-5,18H,1-2,6H2,(H2,17,21)(H,19,20)
Definition date:	2017-06-20
Last modified:	2018-04-20
Release date:	2018-04-25
Identifier:	6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide

8EC

8EC
Name:	6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide
Formula:	C15 H13 F N4 O S
SMILES:	NC(=O)c1cc(F)cc2[nH]c(nc12)c3sc4CNCCc4c3
InChi:	InChI=1S/C15H13FN4OS/c16-8-4-9(14(17)21)13-10(5-8)19-15(20-13)11-3-7-1-2-18-6-12(7)22-11/h3-5,18H,1-2,6H2,(H2,17,21)(H,19,20)
Definition date:	2017-06-20
Last modified:	2018-04-20
Release date:	2018-04-25
Identifier:	6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide

8EF

8EF
Name:	2-[(5S)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methylidene-1,3-thiazolidin-5-yl]ethyl phosphono hydrogen phosphate
Formula:	C12 H20 N4 O7 P2 S
SMILES:	Cc1ncc(CN2CS[CH](CCO[P](O)(=O)O[P](O)(O)=O)C2=C)c(N)n1
InChi:	InChI=1S/C12H20N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,11H,1,3-4,6-7H2,2H3,(H,20,21)(H2,13,14,15)(H2,17,18,19)/t11-/m0/s1
Definition date:	2017-06-20
Last modified:	2018-04-20
Release date:	2018-04-25
Identifier:	2-[(5~{S})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methylidene-1,3-thiazolidin-5-yl]ethyl phosphono hydrogen phosphate

8EL

8EL
Name:	2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
Formula:	C12 H20 N4 O7 P2 S
SMILES:	Cc1ncc(CN2CSC(=C2C)CCO[P](O)(=O)O[P](O)(O)=O)c(N)n1
InChi:	InChI=1S/C12H20N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5H,3-4,6-7H2,1-2H3,(H,20,21)(H2,13,14,15)(H2,17,18,19)
Definition date:	2017-06-20
Last modified:	2018-04-20
Release date:	2018-04-25
Identifier:	2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2~{H}-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate

8EO

8EO
Name:	2-[(5S)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2,5-dihydro-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate
Formula:	C12 H21 N4 O7 P2 S
SMILES:	Cc1ncc(C[N+]2=C(C)[CH](CCO[P](O)(=O)O[P](O)(O)=O)SC2)c(N)n1
InChi:	InChI=1S/C12H20N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,11H,3-4,6-7H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1/t11-/m0/s1
Definition date:	2017-06-20
Last modified:	2018-04-20
Release date:	2018-04-25
Identifier:	2-[(5~{S})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2,5-dihydro-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate

8FL

8FL
Name:	2-[(2R)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-oxidanyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
Formula:	C12 H20 N4 O8 P2 S
SMILES:	Cc1ncc(CN2[CH](O)SC(=C2C)CCO[P](O)(=O)O[P](O)(O)=O)c(N)n1
InChi:	InChI=1S/C12H20N4O8P2S/c1-7-10(3-4-23-26(21,22)24-25(18,19)20)27-12(17)16(7)6-9-5-14-8(2)15-11(9)13/h5,12,17H,3-4,6H2,1-2H3,(H,21,22)(H2,13,14,15)(H2,18,19,20)/t12-/m1/s1
Definition date:	2017-06-27
Last modified:	2018-04-20
Release date:	2018-04-25
Identifier:	2-[(2~{R})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-oxidanyl-2~{H}-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate

8P0

8P0
Name:	pyrene
Formula:	C16 H10
SMILES:	c1cc4c3c(c1)ccc2cccc(c23)cc4
InChi:	InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H
Definition date:	2017-04-13
Last modified:	2018-04-20
Release date:	2018-04-25
Identifier:	pyrene

DVW

DVW
Name:	five-coordinate platinum(II) compound
Formula:	C27 H31 N7 O5 Pt
SMILES:	Cn1cncc1c2cn(nn2)C3OC(O)C(O)C(O)C3O.Cc4ccc5ccc6ccc(C)nc6c5n4.C7C[Pt]7
InChi:	InChI=1S/C14H12N2.C11H15N5O5.C2H4.Pt/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9
Definition date:	2018-02-02
Last modified:	2018-04-20
Release date:	2018-04-25

DW5

DW5
Name:	five-coordinate platinum(II) compound
Formula:	C17 H15 N2 Pt
SMILES:	CC.C[Pt].Cc1ccc2ccc3ccc(C)nc3c2n1
InChi:	InChI=1S/C14H12N2.C2H4.CH3.Pt/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9
Definition date:	2018-02-02
Last modified:	2018-04-20
Release date:	2018-04-25

E7N

E7N
Name:	~{N}-[5-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-2-methoxy-phenyl]propane-1-sulfonamide
Formula:	C25 H31 N5 O3 S
SMILES:	CCC[S](=O)(=O)Nc1cc(ccc1OC)c2cc(cnc2N)c3ccc(cc3)N4CCNCC4
InChi:	InChI=1S/C25H31N5O3S/c1-3-14-34(31,32)29-23-16-19(6-9-24(23)33-2)22-15-20(17-28-25(22)26)18-4-7-21(8-5-18)30-12-10-27-11-13-30/h4-9,15-17,27,29H,3,10-14H2,1-2H3,(H2,26,28)
Definition date:	2018-02-26
Last modified:	2018-04-20
Release date:	2018-04-25
Identifier:	~{N}-[5-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-2-methoxy-phenyl]propane-1-sulfonamide

E8Z

E8Z
Name:	~{N}-(3,4-dimethylphenyl)-4-oxidanylidene-chromene-3-carboxamide
Formula:	C18 H15 N O3
SMILES:	Cc1ccc(NC(=O)C2=COc3ccccc3C2=O)cc1C
InChi:	InChI=1S/C18H15NO3/c1-11-7-8-13(9-12(11)2)19-18(21)15-10-22-16-6-4-3-5-14(16)17(15)20/h3-10H,1-2H3,(H,19,21)
Definition date:	2018-03-05
Last modified:	2018-04-20
Release date:	2018-04-25
Identifier:	~{N}-(3,4-dimethylphenyl)-4-oxidanylidene-chromene-3-carboxamide

E92

E92
Name:	~{N}-(3-chlorophenyl)-4-oxidanylidene-chromene-3-carboxamide
Formula:	C16 H10 Cl N O3
SMILES:	Clc1cccc(NC(=O)C2=COc3ccccc3C2=O)c1
InChi:	InChI=1S/C16H10ClNO3/c17-10-4-3-5-11(8-10)18-16(20)13-9-21-14-7-2-1-6-12(14)15(13)19/h1-9H,(H,18,20)
Definition date:	2018-03-05
Last modified:	2018-04-20
Release date:	2018-04-25
Identifier:	~{N}-(3-chlorophenyl)-4-oxidanylidene-chromene-3-carboxamide

E98

E98
Name:	~{N}-(3-fluorophenyl)-4-oxidanylidene-chromene-3-carboxamide
Formula:	C16 H10 F N O3
SMILES:	Fc1cccc(NC(=O)C2=COc3ccccc3C2=O)c1
InChi:	InChI=1S/C16H10FNO3/c17-10-4-3-5-11(8-10)18-16(20)13-9-21-14-7-2-1-6-12(14)15(13)19/h1-9H,(H,18,20)
Definition date:	2018-03-06
Last modified:	2018-04-20
Release date:	2018-04-25
Identifier:	~{N}-(3-fluorophenyl)-4-oxidanylidene-chromene-3-carboxamide

EJS

EJS
Name:	(4R,5R,6S)-4-[4-fluoro-3-({[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}carbamoyl)phenyl]-N-(2H-indazol-5-yl)-6-methyl-2-oxohexahydropyrimidine-5-carboxamide
Formula:	C25 H25 F N8 O5
SMILES:	O=C(C1C(NC(=O)NC1c3cc(C(NCc2onc(n2)COC)=O)c(F)cc3)C)Nc4ccc5c(c4)cnn5
InChi:	InChI=1S/C25H25FN8O5/c1-12-21(24(36)30-15-4-6-18-14(7-15)9-28-33-18)22(32-25(37)29-12)13-3-5-17(26)16(8-13)23(35)27-10-20-31-19(11-38-2)34-39-20/h3-9,12,21-22H,10-11H2,1-2H3,(H,27,35)(H,28,33)(H,30,36)(H2,29,32,37)/t12-,21+,22-/m0/s1
Definition date:	2018-01-14
Last modified:	2018-04-20
Release date:	2018-04-25
Identifier:	(4R,5R,6S)-4-[4-fluoro-3-({[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}carbamoyl)phenyl]-N-(2H-indazol-5-yl)-6-methyl-2-oxohexahydropyrimidine-5-carboxamide

B5N

B5N
Name:	[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylphenyl)methanone
Formula:	C19 H21 F N2 O
SMILES:	Cc1ccccc1C(=O)N2CCN(CC2)Cc3ccc(F)cc3
InChi:	InChI=1S/C19H21FN2O/c1-15-4-2-3-5-18(15)19(23)22-12-10-21(11-13-22)14-16-6-8-17(20)9-7-16/h2-9H,10-14H2,1H3
Definition date:	2017-09-17
Last modified:	2018-04-20
Release date:	2018-04-25
Identifier:	[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylphenyl)methanone

EVM

EVM
Name:	L-Serine, N-[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methylene]
Formula:	C11 H14 N2 O8 P
SMILES:	C(O)(=O)[C-](N=Cc1c(c(ncc1COP(O)(O)=O)C)O)CO
InChi:	InChI=1S/C11H14N2O8P/c1-6-10(15)8(3-13-9(4-14)11(16)17)7(2-12-6)5-21-22(18,19)20/h2-3,14-15H,4-5H2,1H3,(H,16,17)(H2,18,19,20)/q-1/b13-3+
Definition date:	2018-02-02
Last modified:	2018-04-20
Release date:	2018-04-25
Identifier:	1-carboxy-2-hydroxy-1-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]ethan-1-ide

FJG

FJG
Name:	trans-3-({4-(cyclohexylmethyl)-5-[3-(1-methylcyclopropyl)-5-{[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl}phenyl]-1,3-thiazole-2-carbonyl}amino)cyclobutane-1-carboxylic acid
Formula:	C30 H36 F3 N3 O4 S
SMILES:	c2(C1(C)CC1)cc(cc(C(NC(C)C(F)(F)F)=O)c2)c4c(nc(C(NC3CC(C3)C(O)=O)=O)s4)CC5CCCCC5
InChi:	InChI=1S/C30H36F3N3O4S/c1-16(30(31,32)33)34-25(37)19-11-18(12-21(13-19)29(2)8-9-29)24-23(10-17-6-4-3-5-7-17)36-27(41-24)26(38)35-22-14-20(15-22)28(39)40/h11-13,16-17,20,22H,3-10,14-15H2,1-2H3,(H,34,37)(H,35,38)(H,39,40)/t16-,20-,22-/m1/s1
Definition date:	2018-04-03
Last modified:	2018-04-20
Release date:	2018-04-25
Identifier:	trans-3-({4-(cyclohexylmethyl)-5-[3-(1-methylcyclopropyl)-5-{[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl}phenyl]-1,3-thiazole-2-carbonyl}amino)cyclobutane-1-carboxylic acid

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