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HQ8

HQ8
Name:	(1~{R},2~{S},4~{S},5~{R})-cyclohexane-1,2,3,4,5-pentol
Formula:	C6 H12 O5
SMILES:	O[CH]1C[CH](O)[CH](O)C(O)[CH]1O
InChi:	InChI=1S/C6H12O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2-11H,1H2/t2-,3-,4+,5+/m1/s1
Definition date:	2018-12-15
Last modified:	2019-05-30
Release date:	2019-06-05
Identifier:	(1~{R},2~{S},4~{S},5~{R})-cyclohexane-1,2,3,4,5-pentol

HZB

HZB
Name:	(1~{R},3~{S},4~{R},5~{R})-5-[(2~{S},3~{R},4~{S},5~{R})-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexane-1,2,3,4-tetrol
Formula:	C11 H20 O9
SMILES:	O[CH]1CO[CH](O[CH]2C[CH](O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O
InChi:	InChI=1S/C11H20O9/c12-3-1-5(8(16)9(17)6(3)14)20-11-10(18)7(15)4(13)2-19-11/h3-18H,1-2H2/t3-,4-,5-,6?,7+,8+,9+,10-,11+/m1/s1
Definition date:	2019-01-07
Last modified:	2019-05-30
Release date:	2019-06-05
Identifier:	(1~{R},3~{S},4~{R},5~{R})-5-[(2~{S},3~{R},4~{S},5~{R})-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexane-1,2,3,4-tetrol

9FX

9FX
Name:	3-fluoro-N'-[(E)-{5-[(pyrimidin-2-yl)sulfanyl]furan-2-yl}methylidene]benzohydrazide
Formula:	C16 H11 F N4 O2 S
SMILES:	c1(ncccn1)Sc2oc(cc2)C=NNC(c3cccc(c3)F)=O
InChi:	InChI=1S/C16H11FN4O2S/c17-12-4-1-3-11(9-12)15(22)21-20-10-13-5-6-14(23-13)24-16-18-7-2-8-19-16/h1-10H,(H,21,22)/b20-10+
Definition date:	2018-04-11
Last modified:	2019-05-30
Release date:	2019-06-05
Identifier:	3-fluoro-N'-[(E)-{5-[(pyrimidin-2-yl)sulfanyl]furan-2-yl}methylidene]benzohydrazide

TC
Name:	4-azanyl-1-[(2~{R},3~{R},4~{S})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]pyrimidin-2-one
Formula:	C8 H11 N3 O7 P
SMILES:	NC1=NC(=O)N(C=C1)[CH]2OC[CH](O[P](O)(=O)=O)[CH]2O
InChi:	InChI=1S/C8H11N3O7P/c9-5-1-2-11(8(13)10-5)7-6(12)4(3-17-7)18-19(14,15)16/h1-2,4,6-7,12H,3H2,(H2,9,10,13)(H,14,15,16)/t4-,6+,7+/m0/s1
Definition date:	2018-10-23
Last modified:	2019-05-30
Release date:	2019-06-05
Identifier:	4-azanyl-1-[(2~{R},3~{R},4~{S})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]pyrimidin-2-one

TG
Name:	2-azanyl-9-[(2~{R},3~{R},4~{S})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]-1~{H}-purin-6-one
Formula:	C9 H11 N5 O7 P
SMILES:	NC1=Nc2n(cnc2C(=O)N1)[CH]3OC[CH](O[P](O)(=O)=O)[CH]3O
InChi:	InChI=1S/C9H11N5O7P/c10-9-12-6-4(7(16)13-9)11-2-14(6)8-5(15)3(1-20-8)21-22(17,18)19/h2-3,5,8,15H,1H2,(H,17,18,19)(H3,10,12,13,16)/t3-,5+,8+/m0/s1
Definition date:	2018-10-23
Last modified:	2019-05-30
Release date:	2019-06-05
Identifier:	2-azanyl-9-[(2~{R},3~{R},4~{S})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]-1~{H}-purin-6-one

BQC

BQC
Name:	5-(4-oxo-2-phenyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6(4H)-carbonyl)-1,3-dihydro-2H-2lambda~6~,1-benzothiazole-2,2-dione
Formula:	C21 H18 N4 O4 S
SMILES:	S2(=O)(Nc1ccc(cc1C2)C(=O)N3CCC4=C(C3)C(=O)N=C(N4)c5ccccc5)=O
InChi:	InChI=1S/C21H18N4O4S/c26-20-16-11-25(9-8-18(16)22-19(23-20)13-4-2-1-3-5-13)21(27)14-6-7-17-15(10-14)12-30(28,29)24-17/h1-7,10,24H,8-9,11-12H2,(H,22,23,26)
Definition date:	2019-02-28
Last modified:	2019-05-30
Release date:	2019-06-05
Identifier:	5-(4-oxo-2-phenyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6(4H)-carbonyl)-1,3-dihydro-2H-2lambda~6~,1-benzothiazole-2,2-dione

BQF

BQF
Name:	4-(5-oxo-1,5-dihydro-2H-[1]benzopyrano[3,4-c]pyridine-3(4H)-carbonyl)benzoic acid
Formula:	C20 H15 N O5
SMILES:	C(O)(c1ccc(cc1)C(=O)N4CC3=C(c2c(cccc2)OC3=O)CC4)=O
InChi:	InChI=1S/C20H15NO5/c22-18(12-5-7-13(8-6-12)19(23)24)21-10-9-14-15-3-1-2-4-17(15)26-20(25)16(14)11-21/h1-8H,9-11H2,(H,23,24)
Definition date:	2019-02-28
Last modified:	2019-05-30
Release date:	2019-06-05
Identifier:	4-(5-oxo-1,5-dihydro-2H-[1]benzopyrano[3,4-c]pyridine-3(4H)-carbonyl)benzoic acid

HJN

HJN
Name:	[(2~{R},3~{S},4~{S})-5-[5-[(2~{Z})-3,7-dimethylocta-2,6-dienyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-1~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate
Formula:	C27 H39 N4 O9 P
SMILES:	CC(C)=CCCC(C)=CCN1c2cc(C)c(C)cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C3=C1C(=O)NC(=O)N3
InChi:	InChI=1S/C27H39N4O9P/c1-15(2)7-6-8-16(3)9-10-30-19-11-17(4)18(5)12-20(19)31(25-23(30)26(35)29-27(36)28-25)13-21(32)24(34)22(33)14-40-41(37,38)39/h7,9,11-12,21-22,24,32-34H,6,8,10,13-14H2,1-5H3,(H2,37,38,39)(H2,28,29,35,36)/b16-9-/t21-,22+,24-/m0/s1
Definition date:	2019-02-01
Last modified:	2019-05-30
Release date:	2019-06-05
Identifier:	[(2~{R},3~{S},4~{S})-5-[5-[(2~{Z})-3,7-dimethylocta-2,6-dienyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-1~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate

HLB

HLB
Name:	5-[3,3-dimethyl-2-[5-(1,3,3-trimethylindol-2-ylidene)penta-1,3-dienyl]indol-1-ium-1-yl]-~{N}-[8-[[(1~{R},2~{S},3~{S},4~{S},5~{R})-2,3,4,5-tetrakis(oxidanyl)cyclohexyl]amino]octyl]pentanamide
Formula:	C45 H65 N4 O5
SMILES:	CN1c2ccccc2C(C)(C)C1=CC=CC=CC3=[N+](CCCCC(=O)NCCCCCCCCN[CH]4C[CH](O)[CH](O)[CH](O)[CH]4O)c5ccccc5C3(C)C
InChi:	InChI=1S/C45H64N4O5/c1-44(2)32-21-13-15-23-35(32)48(5)38(44)25-11-10-12-26-39-45(3,4)33-22-14-16-24-36(33)49(39)30-20-17-27-40(51)47-29-19-9-7-6-8-18-28-46-34-31-37(50)42(53)43(54)41(34)52/h10-16,21-26,34,37,41-43,46,50,52-54H,6-9,17-20,27-31H2,1-5H3/p+1/t34-,37-,41+,42+,43+/m1/s1
Definition date:	2018-12-13
Last modified:	2019-05-30
Release date:	2019-06-05
Identifier:	5-[3,3-dimethyl-2-[5-(1,3,3-trimethylindol-2-ylidene)penta-1,3-dienyl]indol-1-ium-1-yl]-~{N}-[8-[[(1~{R},2~{S},3~{S},4~{S},5~{R})-2,3,4,5-tetrakis(oxidanyl)cyclohexyl]amino]octyl]pentanamide

JBJ

JBJ
Name:	(2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{1-oxo-6-[4-(piperazin-1-yl)phenyl]-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide
Formula:	C29 H26 F N5 O3 S
SMILES:	C(C(N4C(c1c(ccc(c1)c3ccc(N2CCNCC2)cc3)C4)=O)c5c(ccc(c5)F)O)(Nc6nccs6)=O
InChi:	InChI=1S/C29H26FN5O3S/c30-21-5-8-25(36)24(16-21)26(27(37)33-29-32-11-14-39-29)35-17-20-2-1-19(15-23(20)28(35)38)18-3-6-22(7-4-18)34-12-9-31-10-13-34/h1-8,11,14-16,26,31,36H,9-10,12-13,17H2,(H,32,33,37)/t26-/m1/s1
Definition date:	2017-06-28
Last modified:	2019-05-30
Release date:	2019-06-05
Identifier:	(2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{1-oxo-6-[4-(piperazin-1-yl)phenyl]-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide

JCY

JCY
Name:	1-(5-{4-fluoro-2-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethoxy]phenyl}-1-methyl-1H-indazol-3-yl)-N,N-dimethylmethanamine
Formula:	C25 H30 F N5 O
SMILES:	c1c4c(cc(c1)c2c(cc(cc2)F)OCCc3c(n(C)nc3C)C)c(CN(C)C)nn4C
InChi:	InChI=1S/C25H30FN5O/c1-16-20(17(2)30(5)27-16)11-12-32-25-14-19(26)8-9-21(25)18-7-10-24-22(13-18)23(15-29(3)4)28-31(24)6/h7-10,13-14H,11-12,15H2,1-6H3
Definition date:	2018-08-30
Last modified:	2019-05-30
Release date:	2019-06-05
Identifier:	1-(5-{4-fluoro-2-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethoxy]phenyl}-1-methyl-1H-indazol-3-yl)-N,N-dimethylmethanamine

J3N

J3N
Name:	1-[(3~{R})-3-[4-azanyl-3-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
Formula:	C20 H22 N8 O
SMILES:	CCC(=O)N1CCC[CH](C1)n2nc(c3cnc4[nH]ccc4c3)c5c(N)ncnc25
InChi:	InChI=1S/C20H22N8O/c1-2-15(29)27-7-3-4-14(10-27)28-20-16(18(21)24-11-25-20)17(26-28)13-8-12-5-6-22-19(12)23-9-13/h5-6,8-9,11,14H,2-4,7,10H2,1H3,(H,22,23)(H2,21,24,25)/t14-/m1/s1
Definition date:	2019-01-18
Last modified:	2019-05-29
Release date:	2019-05-22
Identifier:	1-[(3~{R})-3-[4-azanyl-3-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one

YYZ

YYZ
Name:	(2E)-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enoic acid
Formula:	C9 H6 Cl2 O3
SMILES:	C([C@H]=Cc1cc(Cl)c(O)c(c1)Cl)(O)=O
InChi:	InChI=1S/C9H6Cl2O3/c10-6-3-5(1-2-8(12)13)4-7(11)9(6)14/h1-4,14H,(H,12,13)/b2-1+
Definition date:	2018-09-18
Last modified:	2019-05-24
Release date:	2019-05-29
Identifier:	(2E)-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enoic acid

L8D

L8D
Name:	(5S)-N-[(3S)-7-methoxy-1-methyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[3,4-b]azepin-3-yl]-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide
Formula:	C23 H24 N6 O3
SMILES:	c1c2c(cc(OC)n1)CCC(C(N2C)=O)NC(=O)c3nc5n(n3)C(c4ccccc4)CC5
InChi:	InChI=1S/C23H24N6O3/c1-28-18-13-24-20(32-2)12-15(18)8-9-16(23(28)31)25-22(30)21-26-19-11-10-17(29(19)27-21)14-6-4-3-5-7-14/h3-7,12-13,16-17H,8-11H2,1-2H3,(H,25,30)/t16-,17-/m0/s1
Definition date:	2019-02-12
Last modified:	2019-05-24
Release date:	2019-05-29
Identifier:	(5S)-N-[(3S)-7-methoxy-1-methyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[3,4-b]azepin-3-yl]-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide

LBA

LBA
Name:	2-(4-{3-[4-(6-carboxy-1H-benzimidazol-2-yl)phenoxy]-2-hydroxypropoxy}phenyl)-1H-benzimidazole-5-carboxylic acid
Formula:	C31 H24 N4 O7
SMILES:	c4(OCC(COc1ccc(cc1)c2nc3c(n2)cc(cc3)C(O)=O)O)ccc(cc4)c5nc6c(n5)ccc(c6)C(O)=O
InChi:	InChI=1S/C31H24N4O7/c36-21(15-41-22-7-1-17(2-8-22)28-32-24-11-5-19(30(37)38)13-26(24)34-28)16-42-23-9-3-18(4-10-23)29-33-25-12-6-20(31(39)40)14-27(25)35-29/h1-14,21,36H,15-16H2,(H,32,34)(H,33,35)(H,37,38)(H,39,40)
Definition date:	2019-02-15
Last modified:	2019-05-24
Release date:	2019-05-29
Identifier:	2-(4-{3-[4-(6-carboxy-1H-benzimidazol-2-yl)phenoxy]-2-hydroxypropoxy}phenyl)-1H-benzimidazole-5-carboxylic acid

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

YAZ

YAZ
Name:	(2E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enoic acid
Formula:	C9 H7 Cl O3
SMILES:	C(=O)(O)C=Cc1cc(Cl)c(cc1)O
InChi:	InChI=1S/C9H7ClO3/c10-7-5-6(1-3-8(7)11)2-4-9(12)13/h1-5,11H,(H,12,13)/b4-2+
Definition date:	2018-09-19
Last modified:	2019-05-24
Release date:	2019-05-29
Identifier:	(2E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enoic acid

JUJ

JUJ
Name:	1-[9-(6-aminopyridin-3-yl)-6,7-dichloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one
Formula:	C18 H16 Cl2 N4 O2
SMILES:	C4N(C(CO)=O)Cc1c(nc3c1c(c2cnc(N)cc2)cc(c3Cl)Cl)C4
InChi:	InChI=1S/C18H16Cl2N4O2/c19-12-5-10(9-1-2-14(21)22-6-9)16-11-7-24(15(26)8-25)4-3-13(11)23-18(16)17(12)20/h1-2,5-6,23,25H,3-4,7-8H2,(H2,21,22)
Definition date:	2018-09-24
Last modified:	2019-05-24
Release date:	2019-05-29
Identifier:	1-[9-(6-aminopyridin-3-yl)-6,7-dichloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one

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