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J8E

J8E
Name:	oxidanyl-[[2,2,4,4,4-pentakis($l^{1}-oxidanyl)-1-(oxidanylmolybdenio)-1$l^{3},3-dioxa-2$l^{5},4$l^{5}-dimolybdacyclobut-2-yl]oxy]molybdenum
Formula:	H2 Mo4 O10
SMILES:	O.O.O.O.O.O[Mo]O[Mo]O[Mo]O[Mo]O
InChi:	InChI=1S/4Mo.7H2O.3O/h
Definition date:	2019-02-09
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	oxidanyl-[[2,2,4,4,4-pentakis($l^{1}-oxidanyl)-1-(oxidanylmolybdenio)-1$l^{3},3-dioxa-2$l^{5},4$l^{5}-dimolybdacyclobut-2-yl]oxy]molybdenum

BWK

BWK
Name:	[2-(1-methyl-1,2,3,4-tetrazol-4-ium-5-yl)ethanoylamino]azanium
Formula:	C4 H10 N6 O
SMILES:	Cn1nn[nH+]c1CC(=O)N[NH3+]
InChi:	InChI=1S/C4H8N6O/c1-10-3(7-8-9-10)2-4(11)6-5/h2,5H2,1H3,(H,6,11)/p+2
Definition date:	2017-10-27
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	[2-(1-methyl-1,2,3,4-tetrazol-4-ium-5-yl)ethanoylamino]azanium

BWT

BWT
Name:	[[4-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]azanium
Formula:	C8 H9 N6 O
SMILES:	[NH3+]NC(=O)c1ccc(cc1)c2n[nH]nn2
InChi:	InChI=1S/C8H8N6O/c9-10-8(15)6-3-1-5(2-4-6)7-11-13-14-12-7/h1-4H,9H2,(H,10,15)(H,11,12,13,14)/p+1
Definition date:	2017-10-27
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	[[4-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]azanium

BWZ

BWZ
Name:	[[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]azanium
Formula:	C8 H9 N6 O
SMILES:	[NH3+]NC(=O)c1cccc(c1)c2n[nH]nn2
InChi:	InChI=1S/C8H8N6O/c9-10-8(15)6-3-1-2-5(4-6)7-11-13-14-12-7/h1-4H,9H2,(H,10,15)(H,11,12,13,14)/p+1
Definition date:	2017-10-27
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	[[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]azanium

BX5

BX5
Name:	[4-(2~{H}-1,2,3,4-tetrazol-5-yl)butanoylamino]azanium
Formula:	C5 H11 N6 O
SMILES:	[NH3+]NC(=O)CCCc1n[nH]nn1
InChi:	InChI=1S/C5H10N6O/c6-7-5(12)3-1-2-4-8-10-11-9-4/h1-3,6H2,(H,7,12)(H,8,9,10,11)/p+1
Definition date:	2017-10-27
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	[4-(2~{H}-1,2,3,4-tetrazol-5-yl)butanoylamino]azanium

BXH

BXH
Name:	ethyl 2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoate
Formula:	C5 H8 N4 O2
SMILES:	CCOC(=O)Cc1n[nH]nn1
InChi:	InChI=1S/C5H8N4O2/c1-2-11-5(10)3-4-6-8-9-7-4/h2-3H2,1H3,(H,6,7,8,9)
Definition date:	2017-10-27
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	ethyl 2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoate

XD4

XD4
Name:	[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 4-azanyl-3-methyl-benzoate
Formula:	C18 H25 N O2
SMILES:	Cc1cc(ccc1N)C(=O)O[CH]2C[CH]3CC[C]2(C)C3(C)C
InChi:	InChI=1S/C18H25NO2/c1-11-9-12(5-6-14(11)19)16(20)21-15-10-13-7-8-18(15,4)17(13,2)3/h5-6,9,13,15H,7-8,10,19H2,1-4H3/t13-,15-,18+/m1/s1
Definition date:	2017-08-10
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	[(1~{R},2~{R},4~{R})-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 4-azanyl-3-methyl-benzoate

XD5

XD5
Name:	[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] 4-azanylbenzoate
Formula:	C14 H17 N O2
SMILES:	Nc1ccc(cc1)C(=O)O[CH]2C[CH]3CC[CH]2C3
InChi:	InChI=1S/C14H17NO2/c15-12-5-3-10(4-6-12)14(16)17-13-8-9-1-2-11(13)7-9/h3-6,9,11,13H,1-2,7-8,15H2/t9-,11+,13-/m0/s1
Definition date:	2017-08-10
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	[(1~{R},2~{S},4~{S})-2-bicyclo[2.2.1]heptanyl] 4-azanylbenzoate

EBB

EBB
Name:	7,8-dimethyl-2-(pyrimidin-2-ylsulfanylmethyl)-3~{H}-quinazolin-4-one
Formula:	C15 H14 N4 O S
SMILES:	Cc1ccc2C(=O)NC(=Nc2c1C)CSc3ncccn3
InChi:	InChI=1S/C15H14N4OS/c1-9-4-5-11-13(10(9)2)18-12(19-14(11)20)8-21-15-16-6-3-7-17-15/h3-7H,8H2,1-2H3,(H,18,19,20)
Definition date:	2018-03-13
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	7,8-dimethyl-2-(pyrimidin-2-ylsulfanylmethyl)-3~{H}-quinazolin-4-one

EE5

EE5
Name:	4-[(8-methyl-4-oxidanylidene-7-prop-1-ynyl-3~{H}-quinazolin-2-yl)methylsulfanyl]benzoic acid
Formula:	C20 H16 N2 O3 S
SMILES:	CC#Cc1ccc2C(=O)NC(=Nc2c1C)CSc3ccc(cc3)C(O)=O
InChi:	InChI=1S/C20H16N2O3S/c1-3-4-13-7-10-16-18(12(13)2)21-17(22-19(16)23)11-26-15-8-5-14(6-9-15)20(24)25/h5-10H,11H2,1-2H3,(H,24,25)(H,21,22,23)
Definition date:	2018-03-15
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	4-[(8-methyl-4-oxidanylidene-7-prop-1-ynyl-3~{H}-quinazolin-2-yl)methylsulfanyl]benzoic acid

F3E

F3E
Name:	4-phenylpyrimidin-2-amine
Formula:	C10 H9 N3
SMILES:	Nc1nccc(n1)c2ccccc2
InChi:	InChI=1S/C10H9N3/c11-10-12-7-6-9(13-10)8-4-2-1-3-5-8/h1-7H,(H2,11,12,13)
Definition date:	2018-05-24
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	4-phenylpyrimidin-2-amine

ZOT

ZOT
Name:	2-(3-chloranylbenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethyl-ethanamine
Formula:	C18 H18 Cl N O S
SMILES:	CN(C)CCOC1=Cc2ccccc2Sc3ccc(Cl)cc13
InChi:	InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3
Definition date:	2017-08-17
Last modified:	2019-02-08
Release date:	2019-02-13
Identifier:	2-(3-chloranylbenzo[b][1]benzothiepin-5-yl)oxy-~{N},~{N}-dimethyl-ethanamine

FNB

FNB
Name:	1-[2-chloranyl-7-[(1~{R},2~{R})-1,2-dimethoxypropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloranyl-6-(1,2,3-triazol-2-yl)pyridin-3-yl]urea
Formula:	C19 H19 Cl2 N9 O3
SMILES:	CO[CH](C)[CH](OC)c1n2nc(Cl)cc2ncc1NC(=O)Nc3cnc(n4nccn4)c(Cl)c3
InChi:	InChI=1S/C19H19Cl2N9O3/c1-10(32-2)17(33-3)16-13(9-22-15-7-14(21)28-29(15)16)27-19(31)26-11-6-12(20)18(23-8-11)30-24-4-5-25-30/h4-10,17H,1-3H3,(H2,26,27,31)/t10-,17+/m1/s1
Definition date:	2018-07-20
Last modified:	2019-02-08
Release date:	2019-02-13
Identifier:	1-[2-chloranyl-7-[(1~{R},2~{R})-1,2-dimethoxypropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloranyl-6-(1,2,3-triazol-2-yl)pyridin-3-yl]urea

FWQ

FWQ
Name:	p-sulfonatocalix[6]arene
Formula:	C42 H30 O24 S6
SMILES:	Oc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc6cc(cc(Cc7cc(cc(Cc1cc(c2)[S]([O-])(=O)=O)c7O)[S]([O-])(=O)=O)c6O)[S]([O-])(=O)=O)c5O)[S]([O-])(=O)=O)c4O)[S]([O-])(=O)=O)c3O)[S]([O-])(=O)=O
InChi:	InChI=1S/C42H36O24S6/c43-37-19-1-20-8-32(68(52,53)54)10-22(38(20)44)3-24-12-34(70(58,59)60)14-26(40(24)46)5-28-16-36(72(64,65)66)18-30(42(28)48)6-29-17-35(71(61,62)63)15-27(41(29)47)4-25-13-33(69(55,56)57)11-23(39(25)45)2-21(37)9-31(7-19)67(49,50)51/h7-18,43-48H,1-6H2,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)/p-6
Definition date:	2018-08-08
Last modified:	2019-02-08
Release date:	2019-02-13

HVD

HVD
Name:	(1'R,2'R)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol
Formula:	C21 H30 O2
SMILES:	C=1(CCC(C(C=1)c2c(CCCCC)cc(cc2O)O)C(=C)C)C
InChi:	InChI=1S/C21H30O2/c1-5-6-7-8-16-12-17(22)13-20(23)21(16)19-11-15(4)9-10-18(19)14(2)3/h11-13,18-19,22-23H,2,5-10H2,1,3-4H3/t18-,19+/m0/s1
Definition date:	2018-07-23
Last modified:	2019-02-08
Release date:	2019-02-13
Identifier:	(1'R,2'R)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol

HVJ

HVJ
Name:	(1'R,2'R)-5',6-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol
Formula:	C17 H22 O2
SMILES:	c1(C)c(c(O)cc(c1)O)C2C(C(/C)=C)CCC(C)=C2
InChi:	InChI=1S/C17H22O2/c1-10(2)14-6-5-11(3)7-15(14)17-12(4)8-13(18)9-16(17)19/h7-9,14-15,18-19H,1,5-6H2,2-4H3/t14-,15+/m0/s1
Definition date:	2018-07-24
Last modified:	2019-02-08
Release date:	2019-02-13
Identifier:	(1'R,2'R)-5',6-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol

KS7

KS7
Name:	4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-9-(2-methylpyridin-4-yl)-1,4,9-triazaspiro[5.5]undecane
Formula:	C25 H32 N6 O3
SMILES:	COc1cc(cc(c1)OC)c5noc(N2CCN(C4(C2)CCN(c3cc(ncc3)C)CC4)C)n5
InChi:	InChI=1S/C25H32N6O3/c1-18-13-20(5-8-26-18)30-9-6-25(7-10-30)17-31(12-11-29(25)2)24-27-23(28-34-24)19-14-21(32-3)16-22(15-19)33-4/h5,8,13-16H,6-7,9-12,17H2,1-4H3
Definition date:	2019-01-11
Last modified:	2019-02-08
Release date:	2019-02-13
Identifier:	4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-9-(2-methylpyridin-4-yl)-1,4,9-triazaspiro[5.5]undecane

HO7

HO7
Name:	(6S)-6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
Formula:	C11 H11 Br N2 S
SMILES:	c3c(C2CN1CCSC1=N2)ccc(c3)Br
InChi:	InChI=1S/C11H11BrN2S/c12-9-3-1-8(2-4-9)10-7-14-5-6-15-11(14)13-10/h1-4,10H,5-7H2/t10-/m1/s1
Definition date:	2018-07-16
Last modified:	2019-02-08
Release date:	2019-02-13
Identifier:	(6S)-6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

9RD

9RD
Name:	(cyclohex-1-ene-1,2-diamine)platinum(2+)
Formula:	C6 H12 N2 Pt
SMILES:	[Pt+2]1[nH+]c2c([nH+]1)CCCC2
InChi:	InChI=1S/C6H12N2.Pt/c7-5-3-1-2-4-6(5)8
Definition date:	2017-06-02
Last modified:	2019-02-08
Release date:	2019-02-13
Identifier:	(cyclohex-1-ene-1,2-diamine-kappa~2~N,N')platinum(4+)

J87

J87
Name:	N-[2-methoxy-4-(morpholin-4-yl)phenyl]-2-(pyridin-3-yl)-1,3-thiazole-5-carboxamide
Formula:	C20 H20 N4 O3 S
SMILES:	c4(c1cnccc1)ncc(C(Nc2c(cc(cc2)N3CCOCC3)OC)=O)s4
InChi:	InChI=1S/C20H20N4O3S/c1-26-17-11-15(24-7-9-27-10-8-24)4-5-16(17)23-19(25)18-13-22-20(28-18)14-3-2-6-21-12-14/h2-6,11-13H,7-10H2,1H3,(H,23,25)
Definition date:	2018-08-22
Last modified:	2019-02-08
Release date:	2019-02-13
Identifier:	N-[2-methoxy-4-(morpholin-4-yl)phenyl]-2-(pyridin-3-yl)-1,3-thiazole-5-carboxamide

JE1

JE1
Name:	2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-{[2-(trifluoromethyl)pyridin-3-yl]sulfanyl}pyrimidin-4(3H)-one
Formula:	C17 H20 F3 N5 O S
SMILES:	C2(C(Sc1c(C(F)(F)F)nccc1)=CN=C(N2)N3CCC(CN)(C)CC3)=O
InChi:	InChI=1S/C17H20F3N5OS/c1-16(10-21)4-7-25(8-5-16)15-23-9-12(14(26)24-15)27-11-3-2-6-22-13(11)17(18,19)20/h2-3,6,9H,4-5,7-8,10,21H2,1H3,(H,23,24,26)
Definition date:	2018-09-05
Last modified:	2019-02-08
Release date:	2019-02-13
Identifier:	2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-{[2-(trifluoromethyl)pyridin-3-yl]sulfanyl}pyrimidin-4(3H)-one

JE4

JE4
Name:	6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Formula:	C18 H20 Cl2 N6 O
SMILES:	c13c(nnc1c2c(c(Cl)ccc2)Cl)N=C(N(C3=O)C)N4CCC(C)(CC4)N
InChi:	InChI=1S/C18H20Cl2N6O/c1-18(21)6-8-26(9-7-18)17-22-15-12(16(27)25(17)2)14(23-24-15)10-4-3-5-11(19)13(10)20/h3-5H,6-9,21H2,1-2H3,(H,23,24)
Definition date:	2018-09-05
Last modified:	2019-02-08
Release date:	2019-02-13
Identifier:	6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

JE7

JE7
Name:	5-[(2,3-dichlorophenyl)sulfanyl]-3H-imidazo[4,5-b]pyridin-2-amine
Formula:	C12 H8 Cl2 N4 S
SMILES:	c12nc(ccc1nc(n2)N)Sc3c(Cl)c(Cl)ccc3
InChi:	InChI=1S/C12H8Cl2N4S/c13-6-2-1-3-8(10(6)14)19-9-5-4-7-11(17-9)18-12(15)16-7/h1-5H,(H3,15,16,17,18)
Definition date:	2018-09-05
Last modified:	2019-02-08
Release date:	2019-02-13
Identifier:	5-[(2,3-dichlorophenyl)sulfanyl]-3H-imidazo[4,5-b]pyridin-2-amine

JEA

JEA
Name:	6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[3-chloro-2-(cyclopropylamino)pyridin-4-yl]-5-methyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Formula:	C23 H29 Cl N8 O2
SMILES:	c12nnc(c1C(=O)N(C)C(=N2)N4CCC3(C(C(OC3)C)N)CC4)c5ccnc(c5Cl)NC6CC6
InChi:	InChI=1S/C23H29ClN8O2/c1-12-18(25)23(11-34-12)6-9-32(10-7-23)22-28-19-15(21(33)31(22)2)17(29-30-19)14-5-8-26-20(16(14)24)27-13-3-4-13/h5,8,12-13,18H,3-4,6-7,9-11,25H2,1-2H3,(H,26,27)(H,29,30)/t12-,18+/m0/s1
Definition date:	2018-09-05
Last modified:	2019-02-08
Release date:	2019-02-13
Identifier:	6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[3-chloro-2-(cyclopropylamino)pyridin-4-yl]-5-methyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

JED

JED
Name:	3-(4-bromophenyl)-6-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
Formula:	C20 H14 Br N3 O2
SMILES:	c13c(nnc1c2ccc(Br)cc2)nc(cc3C(O)=O)c4ccc(C)cc4
InChi:	InChI=1S/C20H14BrN3O2/c1-11-2-4-12(5-3-11)16-10-15(20(25)26)17-18(23-24-19(17)22-16)13-6-8-14(21)9-7-13/h2-10H,1H3,(H,25,26)(H,22,23,24)
Definition date:	2018-09-05
Last modified:	2019-02-08
Release date:	2019-02-13
Identifier:	3-(4-bromophenyl)-6-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

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