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GFE

GFE
Name:	1-(3,4-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Formula:	C11 H13 Cl2 N5
SMILES:	CC1(C)N=C(N)N=C(N)N1c2ccc(Cl)c(Cl)c2
InChi:	InChI=1S/C11H13Cl2N5/c1-11(2)17-9(14)16-10(15)18(11)6-3-4-7(12)8(13)5-6/h3-5H,1-2H3,(H4,14,15,16,17)
Definition date:	2018-09-17
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	1-(3,4-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine

G3S

G3S
Name:	4-{2-[(2,3-dioxo-1-pentyl-2,3-dihydro-1H-indol-5-yl)sulfanyl]ethyl}benzoic acid
Formula:	C22 H23 N O4 S
SMILES:	C(c1ccc(C(O)=O)cc1)CSc3ccc2c(C(C(=O)N2CCCCC)=O)c3
InChi:	InChI=1S/C22H23NO4S/c1-2-3-4-12-23-19-10-9-17(14-18(19)20(24)21(23)25)28-13-11-15-5-7-16(8-6-15)22(26)27/h5-10,14H,2-4,11-13H2,1H3,(H,26,27)
Definition date:	2018-05-04
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	4-{2-[(2,3-dioxo-1-pentyl-2,3-dihydro-1H-indol-5-yl)sulfanyl]ethyl}benzoic acid

J08

J08
Name:	4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide
Formula:	C23 H22 N6 O
SMILES:	NC(=N)c1ccc(NCc2[nH]c(cn2)c3ccccc3)cc1OCc4cccnc4
InChi:	InChI=1S/C23H22N6O/c24-23(25)19-9-8-18(11-21(19)30-15-16-5-4-10-26-12-16)27-14-22-28-13-20(29-22)17-6-2-1-3-7-17/h1-13,27H,14-15H2,(H3,24,25)(H,28,29)
Definition date:	2019-01-10
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide

KR7

KR7
Name:	(4-{[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl}phenyl)acetic acid
Formula:	C21 H15 Cl F3 N O2
SMILES:	C(c2cc(C(F)(F)F)nc(c1cccc(c1)Cl)c2)c3ccc(cc3)CC(=O)O
InChi:	InChI=1S/C21H15ClF3NO2/c22-17-3-1-2-16(12-17)18-9-15(10-19(26-18)21(23,24)25)8-13-4-6-14(7-5-13)11-20(27)28/h1-7,9-10,12H,8,11H2,(H,27,28)
Definition date:	2019-01-08
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	(4-{[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl}phenyl)acetic acid

KT4

KT4
Name:	4-{[3-(2,4-dihydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione
Formula:	C17 H16 N2 O4
SMILES:	C1(=O)c2c(C(N1)=O)c(ccc2)NCCCc3ccc(cc3O)O
InChi:	InChI=1S/C17H16N2O4/c20-11-7-6-10(14(21)9-11)3-2-8-18-13-5-1-4-12-15(13)17(23)19-16(12)22/h1,4-7,9,18,20-21H,2-3,8H2,(H,19,22,23)
Definition date:	2019-01-13
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	4-{[3-(2,4-dihydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione

KT7

KT7
Name:	5-hydroxy-1H-isoindole-1,3(2H)-dione
Formula:	C8 H5 N O3
SMILES:	c1c(ccc2C(NC(c12)=O)=O)O
InChi:	InChI=1S/C8H5NO3/c10-4-1-2-5-6(3-4)8(12)9-7(5)11/h1-3,10H,(H,9,11,12)
Definition date:	2019-01-13
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	5-hydroxy-1H-isoindole-1,3(2H)-dione

KTG

KTG
Name:	4-{[3-(4-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione
Formula:	C17 H16 N2 O3
SMILES:	C(CCNc2cccc1C(=O)NC(c12)=O)c3ccc(cc3)O
InChi:	InChI=1S/C17H16N2O3/c20-12-8-6-11(7-9-12)3-2-10-18-14-5-1-4-13-15(14)17(22)19-16(13)21/h1,4-9,18,20H,2-3,10H2,(H,19,21,22)
Definition date:	2019-01-13
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	4-{[3-(4-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione

KTM

KTM
Name:	4-{[(2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione
Formula:	C15 H12 N2 O3
SMILES:	c21cccc(c1C(NC2=O)=O)NCc3c(cccc3)O
InChi:	InChI=1S/C15H12N2O3/c18-12-7-2-1-4-9(12)8-16-11-6-3-5-10-13(11)15(20)17-14(10)19/h1-7,16,18H,8H2,(H,17,19,20)
Definition date:	2019-01-13
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	4-{[(2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione

KTV

KTV
Name:	4-{[(3-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione
Formula:	C15 H12 N2 O3
SMILES:	C1(=O)c2c(C(N1)=O)cccc2NCc3cc(O)ccc3
InChi:	InChI=1S/C15H12N2O3/c18-10-4-1-3-9(7-10)8-16-12-6-2-5-11-13(12)15(20)17-14(11)19/h1-7,16,18H,8H2,(H,17,19,20)
Definition date:	2019-01-13
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	4-{[(3-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione

LFJ

LFJ
Name:	1-[4-(2H-1,3-benzodioxole-5-carbonyl)-2,3,4,5-tetrahydro-1H-1,4-diazepin-1-yl]ethan-1-one
Formula:	C15 H16 N2 O4
SMILES:	N1(CCN(C=CC1)C(C)=O)C(=O)c2cc3c(cc2)OCO3
InChi:	InChI=1S/C15H16N2O4/c1-11(18)16-5-2-6-17(8-7-16)15(19)12-3-4-13-14(9-12)21-10-20-13/h2-5,9H,6-8,10H2,1H3
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	1-[4-(2H-1,3-benzodioxole-5-carbonyl)-2,3,4,5-tetrahydro-1H-1,4-diazepin-1-yl]ethan-1-one

LFM

LFM
Name:	N-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
Formula:	C14 H14 F N3 O2
SMILES:	N(Cc1ccc(F)cc1)C(=O)c2cnn3c2OCCC3
InChi:	InChI=1S/C14H14FN3O2/c15-11-4-2-10(3-5-11)8-16-13(19)12-9-17-18-6-1-7-20-14(12)18/h2-5,9H,1,6-8H2,(H,16,19)
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	N-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

LFP

LFP
Name:	5-chloro-N-[(4-fluorophenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide
Formula:	C12 H11 Cl F N3 O
SMILES:	n2(c(c(C(NCc1ccc(cc1)F)=O)cn2)Cl)C
InChi:	InChI=1S/C12H11ClFN3O/c1-17-11(13)10(7-16-17)12(18)15-6-8-2-4-9(14)5-3-8/h2-5,7H,6H2,1H3,(H,15,18)
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	5-chloro-N-[(4-fluorophenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide

LFY

LFY
Name:	1-ethyl-N-[(4-fluorophenyl)methyl]-1H-imidazole-4-carboxamide
Formula:	C13 H14 F N3 O
SMILES:	n2(cnc(C(NCc1ccc(F)cc1)=O)c2)CC
InChi:	InChI=1S/C13H14FN3O/c1-2-17-8-12(16-9-17)13(18)15-7-10-3-5-11(14)6-4-10/h3-6,8-9H,2,7H2,1H3,(H,15,18)
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	1-ethyl-N-[(4-fluorophenyl)methyl]-1H-imidazole-4-carboxamide

LH7

LH7
Name:	1-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
Formula:	C16 H18 F N3 O3 S
SMILES:	n2n(C1CCS(C1)(=O)=O)c(C)c(c2)C(NCc3ccc(cc3)F)=O
InChi:	InChI=1S/C16H18FN3O3S/c1-11-15(9-19-20(11)14-6-7-24(22,23)10-14)16(21)18-8-12-2-4-13(17)5-3-12/h2-5,9,14H,6-8,10H2,1H3,(H,18,21)/t14-/m0/s1
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	1-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide

LHM

LHM
Name:	N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
Formula:	C15 H16 F N3 O
SMILES:	N(Cc1ccc(cc1)F)C(=O)c2cnn3c2CCCC3
InChi:	InChI=1S/C15H16FN3O/c16-12-6-4-11(5-7-12)9-17-15(20)13-10-18-19-8-2-1-3-14(13)19/h4-7,10H,1-3,8-9H2,(H,17,20)
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

LHS

LHS
Name:	N-[(4-fluorophenyl)methyl]-5-(methoxymethyl)-1,2,4-oxadiazole-3-carboxamide
Formula:	C12 H12 F N3 O3
SMILES:	n2c(C(NCc1ccc(F)cc1)=O)noc2COC
InChi:	InChI=1S/C12H12FN3O3/c1-18-7-10-15-11(16-19-10)12(17)14-6-8-2-4-9(13)5-3-8/h2-5H,6-7H2,1H3,(H,14,17)
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	N-[(4-fluorophenyl)methyl]-5-(methoxymethyl)-1,2,4-oxadiazole-3-carboxamide

LJ7

LJ7
Name:	N-[(4-fluorophenyl)methyl]-1-(propan-2-yl)-1H-pyrazole-3-carboxamide
Formula:	C14 H16 F N3 O
SMILES:	n1(nc(cc1)C(NCc2ccc(cc2)F)=O)C(C)C
InChi:	InChI=1S/C14H16FN3O/c1-10(2)18-8-7-13(17-18)14(19)16-9-11-3-5-12(15)6-4-11/h3-8,10H,9H2,1-2H3,(H,16,19)
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	N-[(4-fluorophenyl)methyl]-1-(propan-2-yl)-1H-pyrazole-3-carboxamide

LJA

LJA
Name:	N-[3-(carbamoylamino)phenyl]acetamide
Formula:	C9 H11 N3 O2
SMILES:	N(C(C)=O)c1cccc(c1)NC(N)=O
InChi:	InChI=1S/C9H11N3O2/c1-6(13)11-7-3-2-4-8(5-7)12-9(10)14/h2-5H,1H3,(H,11,13)(H3,10,12,14)
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	N-[3-(carbamoylamino)phenyl]acetamide

LJD

LJD
Name:	N-[(4-chlorophenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide
Formula:	C12 H12 Cl N3 O
SMILES:	n1(cc(cn1)C(NCc2ccc(Cl)cc2)=O)C
InChi:	InChI=1S/C12H12ClN3O/c1-16-8-10(7-15-16)12(17)14-6-9-2-4-11(13)5-3-9/h2-5,7-8H,6H2,1H3,(H,14,17)
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	N-[(4-chlorophenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide

LJM

LJM
Name:	5-ethyl-N-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carboxamide
Formula:	C13 H13 F N2 O S
SMILES:	n2c(C(NCc1ccc(F)cc1)=O)sc(c2)CC
InChi:	InChI=1S/C13H13FN2OS/c1-2-11-8-16-13(18-11)12(17)15-7-9-3-5-10(14)6-4-9/h3-6,8H,2,7H2,1H3,(H,15,17)
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	5-ethyl-N-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carboxamide

GJQ

GJQ
Name:	(2~{R})-1-(3,4-dichlorophenyl)-2-(4-nitrophenyl)-2~{H}-1,3,5-triazine-4,6-diamine
Formula:	C15 H12 Cl2 N6 O2
SMILES:	NC1=N[CH](N(C(=N1)N)c2ccc(Cl)c(Cl)c2)c3ccc(cc3)[N+]([O-])=O
InChi:	InChI=1S/C15H12Cl2N6O2/c16-11-6-5-10(7-12(11)17)22-13(20-14(18)21-15(22)19)8-1-3-9(4-2-8)23(24)25/h1-7,13H,(H4,18,19,20,21)/t13-/m1/s1
Definition date:	2018-09-18
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	(2~{R})-1-(3,4-dichlorophenyl)-2-(4-nitrophenyl)-2~{H}-1,3,5-triazine-4,6-diamine

EX5

EX5
Name:	Jerantinine B
Formula:	C24 H28 N2 O6
SMILES:	CC[C]12CC(=C3Nc4cc(OC)c(OC(C)=O)cc4[C]35CCN(C[CH]6O[CH]16)[CH]25)C(=O)OC
InChi:	InChI=1S/C24H28N2O6/c1-5-23-10-13(21(28)30-4)19-24(6-7-26(22(23)24)11-18-20(23)32-18)14-8-17(31-12(2)27)16(29-3)9-15(14)25-19/h8-9,18,20,22,25H,5-7,10-11H2,1-4H3/t18-,20-,22-,23+,24-/m0/s1
Definition date:	2018-05-01
Last modified:	2019-05-03
Release date:	2019-05-08

EWE

EWE
Name:	[(2~{S})-3-(1~{H}-indol-3-yl)-1-[(2~{E})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene]hydrazinyl]-1-oxidanylidene-propan-2-yl]azanium
Formula:	C19 H23 N5 O6 P
SMILES:	Cc1ncc(CO[P](O)(O)=O)c(C=NNC(=O)[CH]([NH3+])Cc2c[nH]c3ccccc23)c1O
InChi:	InChI=1S/C19H22N5O6P/c1-11-18(25)15(13(8-21-11)10-30-31(27,28)29)9-23-24-19(26)16(20)6-12-7-22-17-5-3-2-4-14(12)17/h2-5,7-9,16,22,25H,6,10,20H2,1H3,(H,24,26)(H2,27,28,29)/p+1/b23-9+/t16-/m0/s1
Definition date:	2018-04-27
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	[(2~{S})-3-(1~{H}-indol-3-yl)-1-[(2~{E})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene]hydrazinyl]-1-oxidanylidene-propan-2-yl]azanium

LD7

LD7
Name:	3-ethyl-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
Formula:	C12 H12 F N3 O2
SMILES:	n2oc(C(NCc1ccc(F)cc1)=O)nc2CC
InChi:	InChI=1S/C12H12FN3O2/c1-2-10-15-12(18-16-10)11(17)14-7-8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3,(H,14,17)
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	3-ethyl-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide

LDD

LDD
Name:	(azepan-1-yl)(4-methoxyphenyl)methanone
Formula:	C14 H19 N O2
SMILES:	N1(CCCCCC1)C(c2ccc(cc2)OC)=O
InChi:	InChI=1S/C14H19NO2/c1-17-13-8-6-12(7-9-13)14(16)15-10-4-2-3-5-11-15/h6-9H,2-5,10-11H2,1H3
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	(azepan-1-yl)(4-methoxyphenyl)methanone

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