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8LP

8LP
Name:	6-benzyl-3-[3-(benzyloxy)phenyl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(1H,3H)-dione
Formula:	C27 H23 N3 O3
SMILES:	N5C=2C(=CN(Cc1ccccc1)C(C=2)=O)CN(c3cccc(c3)OCc4ccccc4)C5=O
InChi:	InChI=1S/C27H23N3O3/c31-26-15-25-22(17-29(26)16-20-8-3-1-4-9-20)18-30(27(32)28-25)23-12-7-13-24(14-23)33-19-21-10-5-2-6-11-21/h1-15,17H,16,18-19H2,(H,28,32)
Definition date:	2017-02-15
Last modified:	2017-07-14
Release date:	2017-07-19
Identifier:	6-benzyl-3-[3-(benzyloxy)phenyl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(1H,3H)-dione

8LS

8LS
Name:	6-benzyl-3-[(2R)-2-(3-fluoropyridin-2-yl)-6-methyl-3,4-dihydro-2H-1-benzopyran-7-yl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(3H,8H)-dione
Formula:	C29 H25 F N4 O3
SMILES:	c51CCC(Oc1cc(N4CC3=CN(Cc2ccccc2)C(CC3=NC4=O)=O)c(C)c5)c6c(cccn6)F
InChi:	InChI=1S/C29H25FN4O3/c1-18-12-20-9-10-25(28-22(30)8-5-11-31-28)37-26(20)14-24(18)34-17-21-16-33(15-19-6-3-2-4-7-19)27(35)13-23(21)32-29(34)36/h2-8,11-12,14,16,25H,9-10,13,15,17H2,1H3/t25-/m1/s1
Definition date:	2017-02-15
Last modified:	2017-07-14
Release date:	2017-07-19
Identifier:	6-benzyl-3-[(2R)-2-(3-fluoropyridin-2-yl)-6-methyl-3,4-dihydro-2H-1-benzopyran-7-yl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(3H,8H)-dione

8LV

8LV
Name:	3-(5-{[(2R)-5-amino-2-cyclohexyl-7-oxo-2,3-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]methyl}furan-2-yl)benzoic acid
Formula:	C23 H24 N4 O4 S
SMILES:	c1(C(O)=O)cccc(c1)c5oc(CC=3C(N=C4SC(C2CCCCC2)NN4C=3N)=O)cc5
InChi:	InChI=1S/C23H24N4O4S/c24-19-17(12-16-9-10-18(31-16)14-7-4-8-15(11-14)22(29)30)20(28)25-23-27(19)26-21(32-23)13-5-2-1-3-6-13/h4,7-11,13,21,26H,1-3,5-6,12,24H2,(H,29,30)/t21-/m1/s1
Definition date:	2017-02-15
Last modified:	2017-07-14
Release date:	2017-07-19
Identifier:	3-(5-{[(2R)-5-amino-2-cyclohexyl-7-oxo-2,3-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]methyl}furan-2-yl)benzoic acid

6S3

6S3
Name:	4-chloranyl-1-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-b]pyridine-6-carboxamide
Formula:	C20 H22 Cl N5 O
SMILES:	CN1CCN(CC1)c2ccc(cc2)c3cc4c(Cl)cc(nc4n3C)C(N)=O
InChi:	InChI=1S/C20H22ClN5O/c1-24-7-9-26(10-8-24)14-5-3-13(4-6-14)18-11-15-16(21)12-17(19(22)27)23-20(15)25(18)2/h3-6,11-12H,7-10H2,1-2H3,(H2,22,27)
Definition date:	2016-06-09
Last modified:	2017-07-14
Release date:	2017-07-19
Identifier:	4-chloranyl-1-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-b]pyridine-6-carboxamide

6WC

6WC
Name:	[2-[(6-oxidanylidene-1~{H}-purin-9-yl)methyl]-3-(phosphonomethoxy)propoxy]methylphosphonic acid
Formula:	C11 H18 N4 O9 P2
SMILES:	O[P](O)(=O)COCC(COC[P](O)(O)=O)Cn1cnc2C(=O)NC=Nc12
InChi:	InChI=1S/C11H18N4O9P2/c16-11-9-10(12-4-13-11)15(5-14-9)1-8(2-23-6-25(17,18)19)3-24-7-26(20,21)22/h4-5,8H,1-3,6-7H2,(H,12,13,16)(H2,17,18,19)(H2,20,21,22)
Definition date:	2016-07-08
Last modified:	2017-07-14
Release date:	2017-07-19
Identifier:	[2-[(6-oxidanylidene-1~{H}-purin-9-yl)methyl]-3-(phosphonomethoxy)propoxy]methylphosphonic acid

DCZ

DCZ
Name:	2'-DEOXYCYTIDINE
Formula:	C9 H13 N3 O4
SMILES:	O=C1N=C(N)C=CN1C2OC(C(O)C2)CO
InChi:	InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1
Definition date:	2001-05-30
Last modified:	2017-07-13
Identifier:	2'-deoxycytidine

Y8I

Y8I
Name:	2,4-bis(bromanyl)phenol
Formula:	C6 H4 Br2 O
SMILES:	Oc1ccc(Br)cc1Br
InChi:	InChI=1S/C6H4Br2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
Definition date:	2016-10-31
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	2,4-bis(bromanyl)phenol

ZTN

ZTN
Name:	2,3-bis(fluoranyl)phenol
Formula:	C6 H4 F2 O
SMILES:	Oc1cccc(F)c1F
InChi:	InChI=1S/C6H4F2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H
Definition date:	2016-10-31
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	2,3-bis(fluoranyl)phenol

JIF

JIF
Name:	3,4,5-tris(fluoranyl)phenol
Formula:	C6 H3 F3 O
SMILES:	Oc1cc(F)c(F)c(F)c1
InChi:	InChI=1S/C6H3F3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H
Definition date:	2016-10-31
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	3,4,5-tris(fluoranyl)phenol

L60

L60
Name:	1,3-diazinan-2-one
Formula:	C4 H8 N2 O
SMILES:	O=C1NCCCN1
InChi:	InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)
Definition date:	2017-04-13
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	1,3-diazinan-2-one

L89

L89
Name:	pyridine-3,4-diamine
Formula:	C5 H7 N3
SMILES:	Nc1ccncc1N
InChi:	InChI=1S/C5H7N3/c6-4-1-2-8-3-5(4)7/h1-3H,7H2,(H2,6,8)
Definition date:	2017-04-13
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	pyridine-3,4-diamine

L97

L97
Name:	2-chloranylpyridin-3-amine
Formula:	C5 H5 Cl N2
SMILES:	Nc1cccnc1Cl
InChi:	InChI=1S/C5H5ClN2/c6-5-4(7)2-1-3-8-5/h1-3H,7H2
Definition date:	2017-04-13
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	2-chloranylpyridin-3-amine

L99

L99
Name:	3,4-bis(azanyl)benzohydrazide
Formula:	C7 H10 N4 O
SMILES:	NNC(=O)c1ccc(N)c(N)c1
InChi:	InChI=1S/C7H10N4O/c8-5-2-1-4(3-6(5)9)7(12)11-10/h1-3H,8-10H2,(H,11,12)
Definition date:	2017-04-13
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	3,4-bis(azanyl)benzohydrazide

88L

88L
Name:	(4-ethylphenyl) dihydrogen phosphate
Formula:	C8 H11 O4 P
SMILES:	CCc1ccc(O[P](O)(O)=O)cc1
InChi:	InChI=1S/C8H11O4P/c1-2-7-3-5-8(6-4-7)12-13(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)
Definition date:	2017-05-17
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	(4-ethylphenyl) dihydrogen phosphate

9JN

9JN
Name:	~{N}-[(1~{S})-2-azanyl-1-phenyl-ethyl]-4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide
Formula:	C20 H18 N4 O S
SMILES:	NC[CH](NC(=O)c1scc(c1)c2c[nH]c3ncccc23)c4ccccc4
InChi:	InChI=1S/C20H18N4OS/c21-10-17(13-5-2-1-3-6-13)24-20(25)18-9-14(12-26-18)16-11-23-19-15(16)7-4-8-22-19/h1-9,11-12,17H,10,21H2,(H,22,23)(H,24,25)/t17-/m1/s1
Definition date:	2017-05-25
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	~{N}-[(1~{S})-2-azanyl-1-phenyl-ethyl]-4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide

9LW

9LW
Name:	1-[5-[4-(ethoxyiminomethyl)phenoxy]-3-methyl-pentyl]-3-pyridin-4-yl-imidazol-2-one
Formula:	C23 H28 N4 O3
SMILES:	CCON=Cc1ccc(OCC[CH](C)CCN2C=CN(C2=O)c3ccncc3)cc1
InChi:	InChI=1S/C23H28N4O3/c1-3-30-25-18-20-4-6-22(7-5-20)29-17-11-19(2)10-14-26-15-16-27(23(26)28)21-8-12-24-13-9-21/h4-9,12-13,15-16,18-19H,3,10-11,14,17H2,1-2H3/b25-18-
Definition date:	2017-06-02
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	1-[5-[4-(ethoxyiminomethyl)phenoxy]-3-methyl-pentyl]-3-pyridin-4-yl-imidazol-2-one

NRF

NRF
Name:	Norflurazon
Formula:	C12 H9 Cl F3 N3 O
SMILES:	CNC1=C(Cl)C(=O)N(N=C1)c2cccc(c2)C(F)(F)F
InChi:	InChI=1S/C12H9ClF3N3O/c1-17-9-6-18-19(11(20)10(9)13)8-4-2-3-7(5-8)12(14,15)16/h2-6,17H,1H3
Definition date:	2016-12-14
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	4-chloranyl-5-(methylamino)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one

9XG

9XG
Name:	3-methyl-N-phenylaniline
Formula:	C13 H13 N
SMILES:	Cc1cccc(c1)Nc2ccccc2
InChi:	InChI=1S/C13H13N/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-10,14H,1H3
Definition date:	2017-06-22
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	3-methyl-N-phenylaniline

9YM

9YM
Name:	[4-({[(1R,2S,3S,4R,5S)-5-amino-2,3,4-trihydroxycyclohexyl]amino}methyl)-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphate
Formula:	C14 H24 N3 O8 P
SMILES:	OP(O)(=O)OCc1cnc(c(c1CNC2C(C(C(O)C(N)C2)O)O)O)C
InChi:	InChI=1S/C14H24N3O8P/c1-6-11(18)8(7(3-16-6)5-25-26(22,23)24)4-17-10-2-9(15)12(19)14(21)13(10)20/h3,9-10,12-14,17-21H,2,4-5,15H2,1H3,(H2,22,23,24)/t9-,10+,12+,13-,14-/m0/s1
Definition date:	2017-06-26
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	[4-({[(1R,2S,3S,4R,5S)-5-amino-2,3,4-trihydroxycyclohexyl]amino}methyl)-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphate

OBL

OBL
Name:	5-Methoxybenzimidazolyl-norcobamide
Formula:	C60 H85 Co N13 O15 P
SMILES:	COc1ccc2n(cnc2c1)[CH]3O[CH](CO)[CH](O[P](O)(=O)OCCNC(=O)CC[C]4(C)[CH](CC(N)=O)[CH]5[N+]6=C4C(=C7[CH](CCC(N)=O)C(C)(C)C8=[N+]7[Co]69[N]%10C(=C(C)C%11=[N+]9C(=C8)[CH](CCC(N)=O)[C]%11(C)CC(N)=O)[CH](CCC(N)=O)[C](C)(CC(N)=O)[C]5%10C)C)[CH]3O
InChi:	InChI=1S/C60H86N13O15P.Co/c1-29-48-33(12-16-42(62)76)56(3,4)40(70-48)24-36-32(11-15-41(61)75)58(6,25-45(65)79)53(69-36)30(2)49-34(13-17-43(63)77)59(7,26-46(66)80)60(8,72-49)54-35(23-44(64)78)57(5,52(29)71-54)19-18-47(81)67-20-21-86-89(83,84)88-51-39(27-74)87-55(50(51)82)73-28-68-37-22-31(85-9)10-14-38(37)73
Definition date:	2016-11-07
Last modified:	2017-07-07
Release date:	2017-07-12

Q5F

Q5F
Name:	N-[2-(4-chloro-2-methylphenoxy)ethyl]thiophene-2-carboxamide
Formula:	C14 H14 Cl N O2 S
SMILES:	C(COc1c(C)cc(cc1)Cl)NC(c2sccc2)=O
InChi:	InChI=1S/C14H14ClNO2S/c1-10-9-11(15)4-5-12(10)18-7-6-16-14(17)13-3-2-8-19-13/h2-5,8-9H,6-7H2,1H3,(H,16,17)
Definition date:	2017-04-26
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	N-[2-(4-chloro-2-methylphenoxy)ethyl]thiophene-2-carboxamide

Q6F

Q6F
Name:	N-[(2,4-dichlorophenyl)methyl]-4-[(methylsulfonyl)amino]benzamide
Formula:	C15 H14 Cl2 N2 O3 S
SMILES:	c1(ccc(cc1)NS(C)(=O)=O)C(NCc2c(cc(cc2)Cl)Cl)=O
InChi:	InChI=1S/C15H14Cl2N2O3S/c1-23(21,22)19-13-6-3-10(4-7-13)15(20)18-9-11-2-5-12(16)8-14(11)17/h2-8,19H,9H2,1H3,(H,18,20)
Definition date:	2017-04-26
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	N-[(2,4-dichlorophenyl)methyl]-4-[(methylsulfonyl)amino]benzamide

8OA

8OA
Name:	(R)-N-(3-methyl-1-(methylamino)-1-oxobutan-2-yl)-5-(4-(((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio)methyl)phenyl)furan-2-carboxamide
Formula:	C25 H28 N4 O4 S
SMILES:	O=C(NC)C(NC(c1oc(cc1)c2ccc(cc2)CSC3=NC4=C(C(N3)=O)CCC4)=O)C(C)C
InChi:	InChI=1S/C25H28N4O4S/c1-14(2)21(24(32)26-3)28-23(31)20-12-11-19(33-20)16-9-7-15(8-10-16)13-34-25-27-18-6-4-5-17(18)22(30)29-25/h7-12,14,21H,4-6,13H2,1-3H3,(H,26,32)(H,28,31)(H,27,29,30)/t21-/m1/s1
Definition date:	2017-02-22
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	N-methyl-N~2~-[5-(4-{[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]methyl}phenyl)furan-2-carbonyl]-D-valinamide

8OJ

8OJ
Name:	(S)-N-(3-methyl-1-(methylamino)-1-oxobutan-2-yl)-5-(4-(((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio)methyl)phenyl)furan-2-carboxamide
Formula:	C25 H28 N4 O4 S
SMILES:	CNC(C(C(C)C)NC(=O)c1oc(cc1)c4ccc(CSC3=NC=2CCCC=2C(N3)=O)cc4)=O
InChi:	InChI=1S/C25H28N4O4S/c1-14(2)21(24(32)26-3)28-23(31)20-12-11-19(33-20)16-9-7-15(8-10-16)13-34-25-27-18-6-4-5-17(18)22(30)29-25/h7-12,14,21H,4-6,13H2,1-3H3,(H,26,32)(H,28,31)(H,27,29,30)/t21-/m0/s1
Definition date:	2017-02-22
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	N-methyl-N~2~-[5-(4-{[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]methyl}phenyl)furan-2-carbonyl]-L-valinamide

8OM

8OM
Name:	(S)-3-methyl-2-(4'-(((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio)methyl)-[1,1'-biphenyl]-4-ylsulfonamido)butanoic acid
Formula:	C25 H27 N3 O5 S2
SMILES:	c4c(c3ccc(CSC=1NC(C2=C(N=1)CCC2)=O)cc3)ccc(c4)S(NC(C(=O)O)C(C)C)(=O)=O
InChi:	InChI=1S/C25H27N3O5S2/c1-15(2)22(24(30)31)28-35(32,33)19-12-10-18(11-13-19)17-8-6-16(7-9-17)14-34-25-26-21-5-3-4-20(21)23(29)27-25/h6-13,15,22,28H,3-5,14H2,1-2H3,(H,30,31)(H,26,27,29)/t22-/m0/s1
Definition date:	2017-02-22
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	N-[(4'-{[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]methyl}[1,1'-biphenyl]-4-yl)sulfonyl]-L-valine

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