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K8Y

K8Y
Name:	4-[(3-carboxypropanoyl)amino]benzene-1,2-dicarboxylic acid
Formula:	C12 H11 N O7
SMILES:	c1c(cc(C(O)=O)c(C(O)=O)c1)NC(CCC(O)=O)=O
InChi:	InChI=1S/C12H11NO7/c14-9(3-4-10(15)16)13-6-1-2-7(11(17)18)8(5-6)12(19)20/h1-2,5H,3-4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
Definition date:	2018-11-09
Last modified:	2019-06-28
Release date:	2019-07-03
Identifier:	4-[(3-carboxypropanoyl)amino]benzene-1,2-dicarboxylic acid

KAK

KAK
Name:	3'-deoxy-guanosine-5'-monophosphate
Formula:	C10 H14 N5 O7 P
SMILES:	NC1=NC(=O)c2ncn([CH]3O[CH](CO[P](O)(O)=O)C[CH]3O)c2N1
InChi:	InChI=1S/C10H14N5O7P/c11-10-13-7-6(8(17)14-10)12-3-15(7)9-5(16)1-4(22-9)2-21-23(18,19)20/h3-5,9,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,9+/m0/s1
Definition date:	2019-05-08
Last modified:	2019-06-28
Release date:	2019-07-03
Identifier:	[(2~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-4-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate

CV9

CV9
Name:	(2~{R},3~{R},5~{S},6~{E},8~{E},10~{Z},12~{S},13~{R},16~{Z},18~{E},20~{Z},22~{E},24~{R},25~{S},26~{E},28~{Z})-13-[(2~{S},3~{S},5~{S})-3,5-bis(oxidanyl)hexan-2-yl]-25-[(2~{R},3~{R},4~{S},5~{R},6~{R})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-3-methoxy-2,12,22,24-tetramethyl-5-oxidanyl-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one
Formula:	C49 H71 N O12
SMILES:	CO[CH]1C[CH](O)C=CC=CC=C[CH](C)[CH](OC(=O)C=CC=CC=CC(=C[CH](C)[CH](O[CH]2O[CH](C)[CH](O)[CH](OC)[CH]2OC)C=CC=Cc3coc(n3)[CH]1C)C)[CH](C)[CH](O)C[CH](C)O
InChi:	InChI=1S/C49H71NO12/c1-31-21-15-11-14-18-26-43(54)62-45(35(5)40(53)28-34(4)51)32(2)22-16-12-13-17-24-39(52)29-42(56-8)36(6)48-50-38(30-59-48)23-19-20-25-41(33(3)27-31)61-49-47(58-10)46(57-9)44(55)37(7)60-49/h11-27,30,32-37,39-42,44-47,49,51-53,55H,28-29H2,1-10H3/b13-12+,14-11+,21-15-,22-16-,23-19-,24-17+,25-20+,26-18-,31-27+/t32-,33+,34-,35-,36+,37+,39+,40-,41-,42+,44+,45+,46-,47+,49-/m0/s1
Definition date:	2019-02-19
Last modified:	2019-06-28
Release date:	2019-07-03
Identifier:	(2~{R},3~{R},5~{S},6~{E},8~{E},10~{Z},12~{S},13~{R},16~{Z},18~{E},20~{Z},22~{E},24~{R},25~{S},26~{E},28~{Z})-13-[(2~{S},3~{S},5~{S})-3,5-bis(oxidanyl)hexan-2-yl]-25-[(2~{R},3~{R},4~{S},5~{R},6~{R})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-3-methoxy-2,12,22,24-tetramethyl-5-oxidanyl-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one

ML7

ML7
Name:	N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide
Formula:	C19 H16 N2 O3 S
SMILES:	C(c1cccc(c1)c2ccccc2)(NNS(=O)(c3ccccc3)=O)=O
InChi:	InChI=1S/C19H16N2O3S/c22-19(20-21-25(23,24)18-12-5-2-6-13-18)17-11-7-10-16(14-17)15-8-3-1-4-9-15/h1-14,21H,(H,20,22)
Definition date:	2019-04-10
Last modified:	2019-06-28
Release date:	2019-07-03
Identifier:	N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide

MLV

MLV
Name:	2-fluoro-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide
Formula:	C19 H15 F N2 O3 S
SMILES:	C(c1cccc(c1F)c2ccccc2)(NNS(=O)(c3ccccc3)=O)=O
InChi:	InChI=1S/C19H15FN2O3S/c20-18-16(14-8-3-1-4-9-14)12-7-13-17(18)19(23)21-22-26(24,25)15-10-5-2-6-11-15/h1-13,22H,(H,21,23)
Definition date:	2019-04-10
Last modified:	2019-06-28
Release date:	2019-07-03
Identifier:	2-fluoro-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide

MNJ

MNJ
Name:	4-fluoro-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide
Formula:	C19 H15 F N2 O3 S
SMILES:	c1c(cccc1)c2ccc(F)c(c2)C(NNS(=O)(c3ccccc3)=O)=O
InChi:	InChI=1S/C19H15FN2O3S/c20-18-12-11-15(14-7-3-1-4-8-14)13-17(18)19(23)21-22-26(24,25)16-9-5-2-6-10-16/h1-13,22H,(H,21,23)
Definition date:	2019-04-10
Last modified:	2019-06-28
Release date:	2019-07-03
Identifier:	4-fluoro-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide

MQJ

MQJ
Name:	2-fluoro-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide
Formula:	C17 H13 F N2 O3 S
SMILES:	C(=O)(c1ccccc1F)NNS(=O)(=O)c3cc2ccccc2cc3
InChi:	InChI=1S/C17H13FN2O3S/c18-16-8-4-3-7-15(16)17(21)19-20-24(22,23)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,20H,(H,19,21)
Definition date:	2019-04-10
Last modified:	2019-06-28
Release date:	2019-07-03
Identifier:	2-fluoro-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide

O3P

O3P
Name:	N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]prop-2-enamide
Formula:	C17 H22 N4 O
SMILES:	C(N)CN(C)Cc2cncc2c1cccc(c1)NC([C@H]=C)=O
InChi:	InChI=1S/C17H22N4O/c1-3-17(22)20-15-6-4-5-13(9-15)16-11-19-10-14(16)12-21(2)8-7-18/h3-6,9-11,19H,1,7-8,12,18H2,2H3,(H,20,22)
Definition date:	2019-06-06
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]prop-2-enamide

O6D

O6D
Name:	(2S)-2-{[4-(3-amino-4-methylphenyl)-6-methylpyrimidin-2-yl]oxy}-3-methoxy-3,3-diphenylpropanoic acid
Formula:	C28 H27 N3 O4
SMILES:	c1(N)c(ccc(c1)c2cc(C)nc(n2)OC(C(O)=O)C(OC)(c3ccccc3)c4ccccc4)C
InChi:	InChI=1S/C28H27N3O4/c1-18-14-15-20(17-23(18)29)24-16-19(2)30-27(31-24)35-25(26(32)33)28(34-3,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17,25H,29H2,1-3H3,(H,32,33)/t25-/m1/s1
Definition date:	2019-06-12
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	(2S)-2-{[4-(3-amino-4-methylphenyl)-6-methylpyrimidin-2-yl]oxy}-3-methoxy-3,3-diphenylpropanoic acid

H1H

H1H
Name:	5-methoxy-2-[[(1~{S})-1-(2-methoxyphenyl)ethyl]carbamoylamino]-4-(4-methylpentoxy)benzoic acid
Formula:	C24 H32 N2 O6
SMILES:	COc1ccccc1[CH](C)NC(=O)Nc2cc(OCCCC(C)C)c(OC)cc2C(O)=O
InChi:	InChI=1S/C24H32N2O6/c1-15(2)9-8-12-32-22-14-19(18(23(27)28)13-21(22)31-5)26-24(29)25-16(3)17-10-6-7-11-20(17)30-4/h6-7,10-11,13-16H,8-9,12H2,1-5H3,(H,27,28)(H2,25,26,29)/t16-/m0/s1
Definition date:	2018-11-02
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	5-methoxy-2-[[(1~{S})-1-(2-methoxyphenyl)ethyl]carbamoylamino]-4-(4-methylpentoxy)benzoic acid

HUM

HUM
Name:	(2S)-4-{4-[4-(benzyloxy)-2-fluorophenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
Formula:	C24 H25 F N2 O6 S
SMILES:	C3(C=C(c1ccc(cc1F)OCc2ccccc2)C=CN3CCC(C)(S(C)(=O)=O)C(NO)=O)=O
InChi:	InChI=1S/C24H25FN2O6S/c1-24(23(29)26-30,34(2,31)32)11-13-27-12-10-18(14-22(27)28)20-9-8-19(15-21(20)25)33-16-17-6-4-3-5-7-17/h3-10,12,14-15,30H,11,13,16H2,1-2H3,(H,26,29)/t24-/m0/s1
Definition date:	2018-07-20
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	(2S)-4-{4-[4-(benzyloxy)-2-fluorophenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide

HVB

HVB
Name:	1-azanylpropylideneazanium
Formula:	C3 H9 N2
SMILES:	CCC(N)=[NH2+]
InChi:	InChI=1S/C3H8N2/c1-2-3(4)5/h2H2,1H3,(H3,4,5)/p+1
Definition date:	2018-12-19
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	1-azanylpropylideneazanium

HVK

HVK
Name:	pyridin-2-amine
Formula:	C5 H6 N2
SMILES:	Nc1ccccn1
InChi:	InChI=1S/C5H6N2/c6-5-3-1-2-4-7-5/h1-4H,(H2,6,7)
Definition date:	2018-12-20
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	pyridin-2-amine

HAY

HAY
Name:	(2R)-4-{4-[4-(benzyloxy)phenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
Formula:	C24 H26 N2 O6 S
SMILES:	c1(ccc(cc1)OCc2ccccc2)C=3C=CN(CCC(C(=O)NO)(C)S(C)(=O)=O)C(C=3)=O
InChi:	InChI=1S/C24H26N2O6S/c1-24(23(28)25-29,33(2,30)31)13-15-26-14-12-20(16-22(26)27)19-8-10-21(11-9-19)32-17-18-6-4-3-5-7-18/h3-12,14,16,29H,13,15,17H2,1-2H3,(H,25,28)/t24-/m1/s1
Definition date:	2018-06-21
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	(2R)-4-{4-[4-(benzyloxy)phenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide

KQE

KQE
Name:	6-pyridin-4-yl-3-[3-(trifluoromethyloxy)phenyl]imidazo[1,2-b]pyridazine
Formula:	C18 H11 F3 N4 O
SMILES:	FC(F)(F)Oc1cccc(c1)c2cnc3ccc(nn23)c4ccncc4
InChi:	InChI=1S/C18H11F3N4O/c19-18(20,21)26-14-3-1-2-13(10-14)16-11-23-17-5-4-15(24-25(16)17)12-6-8-22-9-7-12/h1-11H
Definition date:	2019-06-18
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	6-pyridin-4-yl-3-[3-(trifluoromethyloxy)phenyl]imidazo[1,2-b]pyridazine

KQK

KQK
Name:	~{N},~{N}-dimethyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
Formula:	C12 H12 N6
SMILES:	CN(C)c1nccc(n1)c2cnn3ncccc23
InChi:	InChI=1S/C12H12N6/c1-17(2)12-13-7-5-10(16-12)9-8-15-18-11(9)4-3-6-14-18/h3-8H,1-2H3
Definition date:	2019-06-18
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	~{N},~{N}-dimethyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine

KQW

KQW
Name:	~{N}-cyclopropyl-~{N}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
Formula:	C14 H14 N6
SMILES:	CN(C1CC1)c2nccc(n2)c3cnn4ncccc34
InChi:	InChI=1S/C14H14N6/c1-19(10-4-5-10)14-15-8-6-12(18-14)11-9-17-20-13(11)3-2-7-16-20/h2-3,6-10H,4-5H2,1H3
Definition date:	2019-06-18
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	~{N}-cyclopropyl-~{N}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine

KQZ

KQZ
Name:	~{N},~{N}-dimethyl-4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
Formula:	C13 H13 N5
SMILES:	CN(C)c1nccc(n1)c2c[nH]c3ncccc23
InChi:	InChI=1S/C13H13N5/c1-18(2)13-15-7-5-11(17-13)10-8-16-12-9(10)4-3-6-14-12/h3-8H,1-2H3,(H,14,16)
Definition date:	2019-06-18
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	~{N},~{N}-dimethyl-4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

KR8

KR8
Name:	~{N}-methyl-~{N}-phenyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
Formula:	C17 H14 N6
SMILES:	CN(c1ccccc1)c2nccc(n2)c3cnn4ncccc34
InChi:	InChI=1S/C17H14N6/c1-22(13-6-3-2-4-7-13)17-18-11-9-15(21-17)14-12-20-23-16(14)8-5-10-19-23/h2-12H,1H3
Definition date:	2019-06-18
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	~{N}-methyl-~{N}-phenyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine

KRK

KRK
Name:	3-[2-[(3~{S})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine
Formula:	C14 H13 F N6
SMILES:	F[CH]1CCN(C1)c2nccc(n2)c3cnn4ncccc34
InChi:	InChI=1S/C14H13FN6/c15-10-4-7-20(9-10)14-16-6-3-12(19-14)11-8-18-21-13(11)2-1-5-17-21/h1-3,5-6,8,10H,4,7,9H2/t10-/m0/s1
Definition date:	2019-06-19
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	3-[2-[(3~{S})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine

KRQ

KRQ
Name:	~{N}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
Formula:	C11 H10 N6
SMILES:	CNc1nccc(n1)c2cnn3ncccc23
InChi:	InChI=1S/C11H10N6/c1-12-11-13-6-4-9(16-11)8-7-15-17-10(8)3-2-5-14-17/h2-7H,1H3,(H,12,13,16)
Definition date:	2019-06-19
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	~{N}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine

HOW

HOW
Name:	1,2-oxazol-3-amine
Formula:	C3 H4 N2 O
SMILES:	Nc1ccon1
InChi:	InChI=1S/C3H4N2O/c4-3-1-2-6-5-3/h1-2H,(H2,4,5)
Definition date:	2018-12-14
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	1,2-oxazol-3-amine

HRZ

HRZ
Name:	1~{H}-pyridin-2-one
Formula:	C5 H5 N O
SMILES:	O=C1NC=CC=C1
InChi:	InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)
Definition date:	2018-12-18
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	1~{H}-pyridin-2-one

HT8

HT8
Name:	(5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-2-naphthalen-2-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one
Formula:	C18 H18 N2 O6
SMILES:	OC[CH]1O[C]2(N=C(NC2=O)c3ccc4ccccc4c3)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C18H18N2O6/c21-8-12-13(22)14(23)15(24)18(26-12)17(25)19-16(20-18)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-15,21-24H,8H2,(H,19,20,25)/t12-,13-,14+,15-,18+/m1/s1
Definition date:	2018-12-18
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	(5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-2-naphthalen-2-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one

HTE

HTE
Name:	(5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-8,9,10-tris(oxidanyl)-2-phenyl-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one
Formula:	C14 H16 N2 O6
SMILES:	OC[CH]1O[C]2(N=C(NC2=O)c3ccccc3)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C14H16N2O6/c17-6-8-9(18)10(19)11(20)14(22-8)13(21)15-12(16-14)7-4-2-1-3-5-7/h1-5,8-11,17-20H,6H2,(H,15,16,21)/t8-,9-,10+,11-,14+/m1/s1
Definition date:	2018-12-19
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	(5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-8,9,10-tris(oxidanyl)-2-phenyl-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one

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