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5DD

5DD
Name:	[(2~{R},3~{S},4~{S})-5-[(4~{a}~{R})-7,8-dimethyl-2,4-bis(oxidanylidene)-4~{a},5-dihydropyrimido[4,5-b]quinolin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate
Formula:	C18 H24 N3 O9 P
SMILES:	Cc1cc2C[CH]3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C
InChi:	InChI=1S/C18H24N3O9P/c1-8-3-10-5-11-16(19-18(26)20-17(11)25)21(12(10)4-9(8)2)6-13(22)15(24)14(23)7-30-31(27,28)29/h3-4,11,13-15,22-24H,5-7H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,13+,14-,15+/m1/s1
Definition date:	2018-10-31
Last modified:	2019-05-24
Release date:	2019-05-29
Identifier:	[(2~{R},3~{S},4~{S})-5-[(4~{a}~{R})-7,8-dimethyl-2,4-bis(oxidanylidene)-4~{a},5-dihydropyrimido[4,5-b]quinolin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate

9G3

9G3
Name:	7-chloro-6-fluoro-3-{2-oxo-3-[(2S)-piperidin-2-yl]propyl}quinazolin-4(3H)-one
Formula:	C16 H17 Cl F N3 O2
SMILES:	c1(F)c(Cl)cc2c(c1)C(=O)N(C=N2)CC(=O)CC3NCCCC3
InChi:	InChI=1S/C16H17ClFN3O2/c17-13-7-15-12(6-14(13)18)16(23)21(9-20-15)8-11(22)5-10-3-1-2-4-19-10/h6-7,9-10,19H,1-5,8H2/t10-/m0/s1
Definition date:	2018-04-13
Last modified:	2019-05-24
Release date:	2019-05-29
Identifier:	7-chloro-6-fluoro-3-{2-oxo-3-[(2S)-piperidin-2-yl]propyl}quinazolin-4(3H)-one

D49

D49
Name:	2-[4-[(2~{R})-4-[4-(6-carboxy-1~{H}-benzimidazol-2-yl)phenoxy]-2-oxidanyl-butoxy]phenyl]-1~{H}-benzimidazole-5-carboxylic acid
Formula:	C32 H26 N4 O7
SMILES:	O[CH](CCOc1ccc(cc1)c2[nH]c3cc(ccc3n2)C(O)=O)COc4ccc(cc4)c5[nH]c6ccc(cc6n5)C(O)=O
InChi:	InChI=1S/C32H26N4O7/c37-22(17-43-24-9-3-19(4-10-24)30-34-26-12-6-21(32(40)41)16-28(26)36-30)13-14-42-23-7-1-18(2-8-23)29-33-25-11-5-20(31(38)39)15-27(25)35-29/h1-12,15-16,22,37H,13-14,17H2,(H,33,35)(H,34,36)(H,38,39)(H,40,41)/t22-/m1/s1
Definition date:	2019-02-15
Last modified:	2019-05-24
Release date:	2019-05-29
Identifier:	2-[4-[(2~{R})-4-[4-(6-carboxy-1~{H}-benzimidazol-2-yl)phenoxy]-2-oxidanyl-butoxy]phenyl]-1~{H}-benzimidazole-5-carboxylic acid

8S3

8S3
Name:	2-[[2,6-bis(chloranyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]amino]benzoic acid
Formula:	C18 H14 Cl2 N2 O3
SMILES:	Cc1onc(C)c1c2cc(Cl)c(Nc3ccccc3C(O)=O)c(Cl)c2
InChi:	InChI=1S/C18H14Cl2N2O3/c1-9-16(10(2)25-22-9)11-7-13(19)17(14(20)8-11)21-15-6-4-3-5-12(15)18(23)24/h3-8,21H,1-2H3,(H,23,24)
Definition date:	2017-09-07
Last modified:	2019-05-24
Release date:	2019-05-29
Identifier:	2-[[2,6-bis(chloranyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]amino]benzoic acid

F2E

F2E
Name:	1-[(4-aminophenyl)methyl]-3-[(2~{S},3~{R})-1-[2-(2-bromophenyl)pyrazolidin-1-yl]-1-oxidanylidene-3-(3-oxidanylpropoxy)butan-2-yl]urea
Formula:	C24 H32 Br N5 O4
SMILES:	C[CH](OCCCO)[CH](NC(=O)NCc1ccc(N)cc1)C(=O)N2CCCN2c3ccccc3Br
InChi:	InChI=1S/C24H32BrN5O4/c1-17(34-15-5-14-31)22(28-24(33)27-16-18-8-10-19(26)11-9-18)23(32)30-13-4-12-29(30)21-7-3-2-6-20(21)25/h2-3,6-11,17,22,31H,4-5,12-16,26H2,1H3,(H2,27,28,33)/t17-,22+/m1/s1
Definition date:	2018-05-17
Last modified:	2019-05-24
Release date:	2019-05-29
Identifier:	1-[(4-aminophenyl)methyl]-3-[(2~{S},3~{R})-1-[2-(2-bromophenyl)pyrazolidin-1-yl]-1-oxidanylidene-3-(3-oxidanylpropoxy)butan-2-yl]urea

F2H

F2H
Name:	4-[[3-[[3-[(4,8-disulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]naphthalene-1,5-disulfonate
Formula:	C35 H22 N4 O15 S4
SMILES:	[O-][S](=O)(=O)c1ccc(NC(=O)c2cccc(NC(=O)Nc3cccc(c3)C(=O)Nc4ccc(c5cccc(c45)[S]([O-])(=O)=O)[S]([O-])(=O)=O)c2)c6c1cccc6[S]([O-])(=O)=O
InChi:	InChI=1S/C35H26N4O15S4/c40-33(38-25-13-15-27(55(43,44)45)23-9-3-11-29(31(23)25)57(49,50)51)19-5-1-7-21(17-19)36-35(42)37-22-8-2-6-20(18-22)34(41)39-26-14-16-28(56(46,47)48)24-10-4-12-30(32(24)26)58(52,53)54/h1-18H,(H,38,40)(H,39,41)(H2,36,37,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/p-4
Definition date:	2018-05-18
Last modified:	2019-05-24
Release date:	2019-05-29
Identifier:	4-[[3-[[3-[(4,8-disulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]naphthalene-1,5-disulfonate

GHM

GHM
Name:	benzene-1,2,4-tricarboxylic acid
Formula:	C9 H6 O6
SMILES:	c1cc(cc(c1C(O)=O)C(O)=O)C(O)=O
InChi:	InChI=1S/C9H6O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)
Definition date:	2018-05-22
Last modified:	2019-05-24
Release date:	2019-05-29
Identifier:	benzene-1,2,4-tricarboxylic acid

GJP

GJP
Name:	4-hydroxyquinoline-3-carboxylic acid
Formula:	C10 H7 N O3
SMILES:	c12ccccc1c(c(cn2)C(O)=O)O
InChi:	InChI=1S/C10H7NO3/c12-9-6-3-1-2-4-8(6)11-5-7(9)10(13)14/h1-5H,(H,11,12)(H,13,14)
Definition date:	2018-05-24
Last modified:	2019-05-24
Release date:	2019-05-29
Identifier:	4-hydroxyquinoline-3-carboxylic acid

GJS

GJS
Name:	4-hydroxybenzene-1,2-dicarboxylic acid
Formula:	C8 H6 O5
SMILES:	c1(C(O)=O)c(C(O)=O)ccc(c1)O
InChi:	InChI=1S/C8H6O5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
Definition date:	2018-05-24
Last modified:	2019-05-24
Release date:	2019-05-29
Identifier:	4-hydroxybenzene-1,2-dicarboxylic acid

GM7

GM7
Name:	4-aminobenzene-1,2-dicarboxylic acid
Formula:	C8 H7 N O4
SMILES:	C(O)(c1cc(ccc1C(O)=O)N)=O
InChi:	InChI=1S/C8H7NO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)
Definition date:	2018-05-29
Last modified:	2019-05-24
Release date:	2019-05-29
Identifier:	4-aminobenzene-1,2-dicarboxylic acid

GNM

GNM
Name:	8-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Formula:	C10 H6 Br N O3
SMILES:	c2c(c1c(C(C(C(O)=O)=CN1)=O)cc2)Br
InChi:	InChI=1S/C10H6BrNO3/c11-7-3-1-2-5-8(7)12-4-6(9(5)13)10(14)15/h1-4H,(H,12,13)(H,14,15)
Definition date:	2018-05-30
Last modified:	2019-05-24
Release date:	2019-05-29
Identifier:	8-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

GNV

GNV
Name:	4-hydroxyquinoline-3,8-dicarboxylic acid
Formula:	C11 H7 N O5
SMILES:	c2cc(c1c(c(c(C(O)=O)cn1)O)c2)C(O)=O
InChi:	InChI=1S/C11H7NO5/c13-9-5-2-1-3-6(10(14)15)8(5)12-4-7(9)11(16)17/h1-4H,(H,12,13)(H,14,15)(H,16,17)
Definition date:	2018-05-30
Last modified:	2019-05-24
Release date:	2019-05-29
Identifier:	4-hydroxyquinoline-3,8-dicarboxylic acid

GNY

GNY
Name:	4-hydroxy-8-(propan-2-yl)quinoline-3-carboxylic acid
Formula:	C13 H13 N O3
SMILES:	c2c(c(c1c(c(C(C)C)ccc1)n2)O)C(O)=O
InChi:	InChI=1S/C13H13NO3/c1-7(2)8-4-3-5-9-11(8)14-6-10(12(9)15)13(16)17/h3-7H,1-2H3,(H,14,15)(H,16,17)
Definition date:	2018-05-30
Last modified:	2019-05-24
Release date:	2019-05-29
Identifier:	4-hydroxy-8-(propan-2-yl)quinoline-3-carboxylic acid

GOG

GOG
Name:	3-hydroxybenzene-1,2-dicarboxylic acid
Formula:	C8 H6 O5
SMILES:	c1(c(C(O)=O)cccc1O)C(O)=O
InChi:	InChI=1S/C8H6O5/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
Definition date:	2018-05-30
Last modified:	2019-05-24
Release date:	2019-05-29
Identifier:	3-hydroxybenzene-1,2-dicarboxylic acid

7MT

7MT
Name:	Tb-Xo4
Formula:	C20 H23 N5 O4 Tb
SMILES:	O=C1O[Tb]23OC(=O)c4cccc(CN5CCNCCN(CC5)Cc6cccc1[n+]26)[n+]34
InChi:	InChI=1S/C20H25N5O4.Tb/c26-19(27)17-5-1-3-15(22-17)13-24-9-7-21-8-10-25(12-11-24)14-16-4-2-6-18(23-16)20(28)29
Definition date:	2016-11-21
Last modified:	2019-05-23
Release date:	2017-09-20

68G

68G
Name:	13'2-hydroxyl-Chlorophyll a
Formula:	C55 H72 Mg N4 O6
SMILES:	C(C=C(/C)CCCC(C)CCCC(C)CCCC(C)C)OC(=O)CCC2=C(C)C1=CC9=N8[Mg]56N1C2=C3C(C(=O)OC)(O)C(=O)C4=C(C)C(N5=C34)=Cc7n6c(c(c7CC)C)C=C8C(=C9C)CC
InChi:	InChI=1S/C55H73N4O6.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)65-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)51(58-44)50-52-49(53(61)55(50,63)54(62)64-12)38(11)45(59-52)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42
Definition date:	2016-02-17
Last modified:	2019-05-22
Release date:	2016-05-04
Identifier:	[methyl 9,14-diethyl-21-hydroxy-4,8,13,18-tetramethyl-20-oxo-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-3,4,23,25-tetradehydro-24,26-dihydrophorbine-21-carboxylatato(2-)-kappa~4~N~23~,N~24~,N~25~,N~26~]magnesium

ND7

ND7
Name:	5'-O-[(S)-amino(hydroxy)phosphoryl]adenosine
Formula:	C10 H15 N6 O6 P
SMILES:	OP(OCC3C(C(O)C(n1cnc2c1ncnc2N)O3)O)(=O)N
InChi:	InChI=1S/C10H15N6O6P/c11-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(22-10)1-21-23(12,19)20/h2-4,6-7,10,17-18H,1H2,(H2,11,13,14)(H3,12,19,20)/t4-,6-,7-,10-/m1/s1
Definition date:	2019-05-10
Last modified:	2019-05-17
Release date:	2019-05-22
Identifier:	5'-O-[(S)-amino(hydroxy)phosphoryl]adenosine

L0M

L0M
Name:	N-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)-2-(10H-phenoxazin-10-yl)acetamide
Formula:	C27 H21 N5 O2
SMILES:	Cc1nccn2c1nc(c2NC(=O)CN4c5ccccc5Oc3c4cccc3)c6ccccc6
InChi:	InChI=1S/C27H21N5O2/c1-18-26-30-25(19-9-3-2-4-10-19)27(31(26)16-15-28-18)29-24(33)17-32-20-11-5-7-13-22(20)34-23-14-8-6-12-21(23)32/h2-16H,17H2,1H3,(H,29,33)
Definition date:	2019-01-30
Last modified:	2019-05-17
Release date:	2019-05-22
Identifier:	N-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)-2-(10H-phenoxazin-10-yl)acetamide

L0P

L0P
Name:	N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
Formula:	C24 H20 N4 O2 S
SMILES:	Cc1cccn2c1nc(c2NC(=O)CN4C(CSc3c4cccc3)=O)c5ccccc5
InChi:	InChI=1S/C24H20N4O2S/c1-16-8-7-13-27-23(16)26-22(17-9-3-2-4-10-17)24(27)25-20(29)14-28-18-11-5-6-12-19(18)31-15-21(28)30/h2-13H,14-15H2,1H3,(H,25,29)
Definition date:	2019-01-30
Last modified:	2019-05-17
Release date:	2019-05-22
Identifier:	N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide

Z3A

Z3A
Name:	4-{[(2R,3R)-1,3-dihydroxybutan-2-yl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide
Formula:	C18 H20 N4 O3
SMILES:	O=C(c1cnn2c(c1NC(CO)C(O)C)cc(c2)c3ccccc3)N
InChi:	InChI=1S/C18H20N4O3/c1-11(24)15(10-23)21-17-14(18(19)25)8-20-22-9-13(7-16(17)22)12-5-3-2-4-6-12/h2-9,11,15,21,23-24H,10H2,1H3,(H2,19,25)/t11-,15-/m1/s1
Definition date:	2019-02-12
Last modified:	2019-05-17
Release date:	2019-05-22
Identifier:	4-{[(2R,3R)-1,3-dihydroxybutan-2-yl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide

JVJ

JVJ
Name:	1-(4-{3-[4-(furan-3-yl)phenyl]-5-[(piperidin-4-yl)methoxy]pyrazin-2-yl}phenyl)methanamine
Formula:	C27 H28 N4 O2
SMILES:	NCc1ccc(cc1)c4c(c3ccc(c2ccoc2)cc3)nc(cn4)OCC5CCNCC5
InChi:	InChI=1S/C27H28N4O2/c28-15-19-1-3-22(4-2-19)26-27(23-7-5-21(6-8-23)24-11-14-32-18-24)31-25(16-30-26)33-17-20-9-12-29-13-10-20/h1-8,11,14,16,18,20,29H,9-10,12-13,15,17,28H2
Definition date:	2018-10-04
Last modified:	2019-05-17
Release date:	2019-05-22
Identifier:	1-(4-{3-[4-(furan-3-yl)phenyl]-5-[(piperidin-4-yl)methoxy]pyrazin-2-yl}phenyl)methanamine

KC5

KC5
Name:	(4~{Z})-7,9-bis(chloranyl)-4-[[(4-methoxyphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one
Formula:	C20 H15 Cl2 N O4
SMILES:	COc1ccc(NC=C2C(=O)CCc3c2oc4cc(Cl)c(O)c(Cl)c34)cc1
InChi:	InChI=1S/C20H15Cl2NO4/c1-26-11-4-2-10(3-5-11)23-9-13-15(24)7-6-12-17-16(27-20(12)13)8-14(21)19(25)18(17)22/h2-5,8-9,23,25H,6-7H2,1H3/b13-9+
Definition date:	2019-05-11
Last modified:	2019-05-17
Release date:	2019-05-22
Identifier:	(4~{Z})-7,9-bis(chloranyl)-4-[[(4-methoxyphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one

N73

N73
Name:	(2~{R})-3-methyl-~{N}-oxidanylidene-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxy-amino]butanamide
Formula:	C20 H24 N2 O5 S
SMILES:	CC(C)ON([CH](C(C)C)C(=O)N=O)[S](=O)(=O)c1ccc(cc1)c2ccccc2
InChi:	InChI=1S/C20H24N2O5S/c1-14(2)19(20(23)21-24)22(27-15(3)4)28(25,26)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-15,19H,1-4H3/t19-/m1/s1
Definition date:	2014-12-19
Last modified:	2019-05-17
Release date:	2015-04-22
Identifier:	(2~{R})-3-methyl-~{N}-oxidanylidene-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxy-amino]butanamide

KC8

KC8
Name:	2-[4-[(4~{S})-4-methyl-2-oxidanylidene-imidazolidin-4-yl]phenyl]-3~{H}-quinazolin-4-one
Formula:	C18 H16 N4 O2
SMILES:	C[C]1(CNC(=O)N1)c2ccc(cc2)C3=Nc4ccccc4C(=O)N3
InChi:	InChI=1S/C18H16N4O2/c1-18(10-19-17(24)22-18)12-8-6-11(7-9-12)15-20-14-5-3-2-4-13(14)16(23)21-15/h2-9H,10H2,1H3,(H2,19,22,24)(H,20,21,23)/t18-/m1/s1
Definition date:	2019-05-11
Last modified:	2019-05-17
Release date:	2019-05-22
Identifier:	2-[4-[(4~{S})-4-methyl-2-oxidanylidene-imidazolidin-4-yl]phenyl]-3~{H}-quinazolin-4-one

N8J

N8J
Name:	(2S)-N-(benzylsulfonyl)-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
Formula:	C27 H26 Cl2 N2 O4 S
SMILES:	N2(CC1CCC1)CC(Oc3c2cc(cc3)C(NS(Cc4ccccc4)(=O)=O)=O)c5ccc(Cl)cc5Cl
InChi:	InChI=1S/C27H26Cl2N2O4S/c28-21-10-11-22(23(29)14-21)26-16-31(15-18-7-4-8-18)24-13-20(9-12-25(24)35-26)27(32)30-36(33,34)17-19-5-2-1-3-6-19/h1-3,5-6,9-14,18,26H,4,7-8,15-17H2,(H,30,32)/t26-/m1/s1
Definition date:	2019-05-08
Last modified:	2019-05-17
Release date:	2019-05-22
Identifier:	(2S)-N-(benzylsulfonyl)-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

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