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KY8

KY8
Name:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyrimidin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol
Formula:	C20 H30 N10 O3
SMILES:	NCCCN(CCCNc1ncccn1)C[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34
InChi:	InChI=1S/C20H30N10O3/c21-4-1-8-29(9-3-7-25-20-23-5-2-6-24-20)10-13-15(31)16(32)19(33-13)30-12-28-14-17(22)26-11-27-18(14)30/h2,5-6,11-13,15-16,19,31-32H,1,3-4,7-10,21H2,(H2,22,26,27)(H,23,24,25)/t13-,15-,16-,19-/m1/s1
Definition date:	2019-07-04
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyrimidin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol

KYB

KYB
Name:	1-[5-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]pentyl]guanidine
Formula:	C19 H34 N10 O3
SMILES:	NCCCN(CCCCCNC(N)=N)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C19H34N10O3/c20-5-4-8-28(7-3-1-2-6-24-19(22)23)9-12-14(30)15(31)18(32-12)29-11-27-13-16(21)25-10-26-17(13)29/h10-12,14-15,18,30-31H,1-9,20H2,(H2,21,25,26)(H4,22,23,24)/t12-,14-,15-,18-/m1/s1
Definition date:	2019-07-04
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	1-[5-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]pentyl]guanidine

KYE

KYE
Name:	(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(5-carbamimidamidopentyl)amino]-2-azanyl-butanoic acid
Formula:	C20 H34 N10 O5
SMILES:	N[CH](CCN(CCCCCNC(N)=N)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
InChi:	InChI=1S/C20H34N10O5/c21-11(19(33)34)4-7-29(6-3-1-2-5-25-20(23)24)8-12-14(31)15(32)18(35-12)30-10-28-13-16(22)26-9-27-17(13)30/h9-12,14-15,18,31-32H,1-8,21H2,(H,33,34)(H2,22,26,27)(H4,23,24,25)/t11-,12+,14+,15+,18+/m0/s1
Definition date:	2019-07-04
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(5-carbamimidamidopentyl)amino]-2-azanyl-butanoic acid

KYH

KYH
Name:	1-[4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]butyl]guanidine
Formula:	C18 H32 N10 O3
SMILES:	NCCCN(CCCCNC(N)=N)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C18H32N10O3/c19-4-3-7-27(6-2-1-5-23-18(21)22)8-11-13(29)14(30)17(31-11)28-10-26-12-15(20)24-9-25-16(12)28/h9-11,13-14,17,29-30H,1-8,19H2,(H2,20,24,25)(H4,21,22,23)/t11-,13-,14-,17-/m1/s1
Definition date:	2019-07-04
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	1-[4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]butyl]guanidine

E79

E79
Name:	(3R)-3-[[(1R)-1,2-bis(oxidanyl)-2-oxidanylidene-ethyl]amino]butanoic acid
Formula:	C6 H11 N O5
SMILES:	C[CH](CC(O)=O)N[CH](O)C(O)=O
InChi:	InChI=1S/C6H11NO5/c1-3(2-4(8)9)7-5(10)6(11)12/h3,5,7,10H,2H2,1H3,(H,8,9)(H,11,12)/t3-,5-/m1/s1
Definition date:	2019-11-06
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	(3~{R})-3-[[(1~{R})-1,2-bis(oxidanyl)-2-oxidanylidene-ethyl]amino]butanoic acid

97T

97T
Name:	2-(1,2-oxazol-5-yl)phenol
Formula:	C9 H7 N O2
SMILES:	Oc1ccccc1c2oncc2
InChi:	InChI=1S/C9H7NO2/c11-8-4-2-1-3-7(8)9-5-6-10-12-9/h1-6,11H
Definition date:	2017-04-28
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	2-(1,2-oxazol-5-yl)phenol

KJE

KJE
Name:	18-carboxymethoxy-cleaviminium
Formula:	C21 H25 N2 O2
SMILES:	CCC1=C[CH]2C[CH](C(=O)OC)C3=Nc4ccccc4[CH]3CC[N+](=C1)C2
InChi:	InChI=1S/C21H25N2O2/c1-3-14-10-15-11-18(21(24)25-2)20-17(8-9-23(12-14)13-15)16-6-4-5-7-19(16)22-20/h4-7,10,12,15,17-18H,3,8-9,11,13H2,1-2H3/q+1/t15-,17+,18+/m0/s1
Definition date:	2019-05-22
Last modified:	2020-02-28
Release date:	2020-03-04

M0Q

M0Q
Name:	~{N}-methyl-1,6-naphthyridin-4-amine
Formula:	C9 H9 N3
SMILES:	CNc1ccnc2ccncc12
InChi:	InChI=1S/C9H9N3/c1-10-8-3-5-12-9-2-4-11-6-7(8)9/h2-6H,1H3,(H,10,12)
Definition date:	2019-10-02
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	~{N}-methyl-1,6-naphthyridin-4-amine

M1Q

M1Q
Name:	5,6,7,8-tetrahydro-4~{a}~{H}-quinazoline-2,4-dione
Formula:	C8 H10 N2 O2
SMILES:	O=C1NC(=O)[CH]2CCCCC2=N1
InChi:	InChI=1S/C8H10N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h5H,1-4H2,(H,10,11,12)/t5-/m0/s1
Definition date:	2019-10-02
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	5,6,7,8-tetrahydro-4~{a}~{H}-quinazoline-2,4-dione

M1Z

M1Z
Name:	6-pyrrolidin-1-yl-5~{H}-pyrimidine-2,4-dione
Formula:	C8 H11 N3 O2
SMILES:	O=C1CC(=NC(=O)N1)N2CCCC2
InChi:	InChI=1S/C8H11N3O2/c12-7-5-6(9-8(13)10-7)11-3-1-2-4-11/h1-5H2,(H,10,12,13)
Definition date:	2019-10-02
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	6-pyrrolidin-1-yl-5~{H}-pyrimidine-2,4-dione

M3E

M3E
Name:	6-phenyl-1~{H}-pyrimidine-2,4-dione
Formula:	C10 H8 N2 O2
SMILES:	O=C1NC(=O)C=C(N1)c2ccccc2
InChi:	InChI=1S/C10H8N2O2/c13-9-6-8(11-10(14)12-9)7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)
Definition date:	2019-10-02
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	6-phenyl-1~{H}-pyrimidine-2,4-dione

M3H

M3H
Name:	2-phenyl-4,5-dihydro-1~{H}-imidazole
Formula:	C9 H10 N2
SMILES:	C1CN=C(N1)c2ccccc2
InChi:	InChI=1S/C9H10N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5H,6-7H2,(H,10,11)
Definition date:	2019-10-03
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	2-phenyl-4,5-dihydro-1~{H}-imidazole

M45

M45
Name:	~{N}-[(2~{S})-pyrrolidin-2-yl]-1~{H}-1,2,4-triazol-5-amine
Formula:	C6 H11 N5
SMILES:	C1CN[CH](C1)Nc2[nH]ncn2
InChi:	InChI=1S/C6H11N5/c1-2-5(7-3-1)10-6-8-4-9-11-6/h4-5,7H,1-3H2,(H2,8,9,10,11)/t5-/m0/s1
Definition date:	2019-10-03
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	~{N}-[(2~{S})-pyrrolidin-2-yl]-1~{H}-1,2,4-triazol-5-amine

M4B

M4B
Name:	6-methyl-5-nitro-4-phenyl-1~{H}-pyrimidin-2-one
Formula:	C11 H9 N3 O3
SMILES:	CC1=C(C(=NC(=O)N1)c2ccccc2)[N+]([O-])=O
InChi:	InChI=1S/C11H9N3O3/c1-7-10(14(16)17)9(13-11(15)12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13,15)
Definition date:	2019-10-03
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	6-methyl-5-nitro-4-phenyl-1~{H}-pyrimidin-2-one

M4E

M4E
Name:	~{N}-methyl-2~{H}-indazole-3-carboxamide
Formula:	C9 H9 N3 O
SMILES:	CNC(=O)c1n[nH]c2ccccc12
InChi:	InChI=1S/C9H9N3O/c1-10-9(13)8-6-4-2-3-5-7(6)11-12-8/h2-5H,1H3,(H,10,13)(H,11,12)
Definition date:	2019-10-03
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	~{N}-methyl-1~{H}-indazole-3-carboxamide

M4K

M4K
Name:	6-[[cyclopropyl-(phenylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione
Formula:	C15 H17 N3 O2
SMILES:	O=C1CC(=NC(=O)N1)CN(Cc2ccccc2)C3CC3
InChi:	InChI=1S/C15H17N3O2/c19-14-8-12(16-15(20)17-14)10-18(13-6-7-13)9-11-4-2-1-3-5-11/h1-5,13H,6-10H2,(H,17,19,20)
Definition date:	2019-10-03
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	6-[[cyclopropyl-(phenylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione

M4N

M4N
Name:	~{N}-methyl-3-phenyl-1~{H}-pyrazole-5-carboxamide
Formula:	C11 H11 N3 O
SMILES:	CNC(=O)c1[nH]nc(c1)c2ccccc2
InChi:	InChI=1S/C11H11N3O/c1-12-11(15)10-7-9(13-14-10)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,15)(H,13,14)
Definition date:	2019-10-03
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	~{N}-methyl-3-phenyl-1~{H}-pyrazole-5-carboxamide

M58

M58
Name:	(~{R})-azanyl(pyridin-3-yl)methanethiol
Formula:	C6 H8 N2 S
SMILES:	N[CH](S)c1cccnc1
InChi:	InChI=1S/C6H8N2S/c7-6(9)5-2-1-3-8-4-5/h1-4,6,9H,7H2/t6-/m1/s1
Definition date:	2019-10-03
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	(~{R})-azanyl(pyridin-3-yl)methanethiol

M5B

M5B
Name:	~{N}-(1~{H}-imidazol-2-yl)thiophene-2-sulfonamide
Formula:	C7 H7 N3 O2 S2
SMILES:	O=[S](=O)(Nc1[nH]ccn1)c2sccc2
InChi:	InChI=1S/C7H7N3O2S2/c11-14(12,6-2-1-5-13-6)10-7-8-3-4-9-7/h1-5H,(H2,8,9,10)
Definition date:	2019-10-03
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	~{N}-(1~{H}-imidazol-2-yl)thiophene-2-sulfonamide

M5E

M5E
Name:	(~{S})-phenyl-[(2~{S})-pyrrolidin-2-yl]methanol
Formula:	C11 H15 N O
SMILES:	O[CH]([CH]1CCCN1)c2ccccc2
InChi:	InChI=1S/C11H15NO/c13-11(10-7-4-8-12-10)9-5-2-1-3-6-9/h1-3,5-6,10-13H,4,7-8H2/t10-,11-/m0/s1
Definition date:	2019-10-03
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	(~{S})-phenyl-[(2~{S})-pyrrolidin-2-yl]methanol

M5H

M5H
Name:	3-imidazolidin-2-yl-2~{H}-indazole
Formula:	C10 H12 N4
SMILES:	C1CNC(N1)c2[nH]nc3ccccc23
InChi:	InChI=1S/C10H12N4/c1-2-4-8-7(3-1)9(14-13-8)10-11-5-6-12-10/h1-4,10-12H,5-6H2,(H,13,14)
Definition date:	2019-10-03
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	3-imidazolidin-2-yl-2~{H}-indazole

M5N

M5N
Name:	4-propan-2-yl-5,6,7,8-tetrahydro-4~{a}~{H}-quinazolin-2-one
Formula:	C11 H16 N2 O
SMILES:	CC(C)C1=NC(=O)N=C2CCCC[CH]12
InChi:	InChI=1S/C11H16N2O/c1-7(2)10-8-5-3-4-6-9(8)12-11(14)13-10/h7-8H,3-6H2,1-2H3/t8-/m0/s1
Definition date:	2019-10-03
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	4-propan-2-yl-5,6,7,8-tetrahydro-4~{a}~{H}-quinazolin-2-one

M6H

M6H
Name:	2-(phenylmethyl)imidazolidine
Formula:	C10 H14 N2
SMILES:	C1CNC(Cc2ccccc2)N1
InChi:	InChI=1S/C10H14N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5,10-12H,6-8H2
Definition date:	2019-10-03
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	2-(phenylmethyl)imidazolidine

M6Z

M6Z
Name:	5-iodanyl-~{N}-methyl-1~{H}-indazole-3-carboxamide
Formula:	C9 H8 I N3 O
SMILES:	CNC(=O)c1n[nH]c2ccc(I)cc12
InChi:	InChI=1S/C9H8IN3O/c1-11-9(14)8-6-4-5(10)2-3-7(6)12-13-8/h2-4H,1H3,(H,11,14)(H,12,13)
Definition date:	2019-10-03
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	5-iodanyl-~{N}-methyl-1~{H}-indazole-3-carboxamide

M75

M75
Name:	~{N}-cyclopropyl-1~{H}-imidazole-4-sulfonamide
Formula:	C6 H9 N3 O2 S
SMILES:	O=[S](=O)(NC1CC1)c2c[nH]cn2
InChi:	InChI=1S/C6H9N3O2S/c10-12(11,9-5-1-2-5)6-3-7-4-8-6/h3-5,9H,1-2H2,(H,7,8)
Definition date:	2019-10-03
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	~{N}-cyclopropyl-1~{H}-imidazole-4-sulfonamide

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