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K6T

K6T
Name:	5-[(3-aminophenyl)amino]-4-phenyl-thiophene-2-carboximidamide
Formula:	C17 H16 N4 S
SMILES:	NC(=N)c1sc(Nc2cccc(N)c2)c(c1)c3ccccc3
InChi:	InChI=1S/C17H16N4S/c18-12-7-4-8-13(9-12)21-17-14(10-15(22-17)16(19)20)11-5-2-1-3-6-11/h1-10,21H,18H2,(H3,19,20)
Definition date:	2019-04-30
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	5-[(3-aminophenyl)amino]-4-phenyl-thiophene-2-carboximidamide

K6W

K6W
Name:	4-phenyl-5-(phenylmethyl)thiophene-2-carboximidamide
Formula:	C18 H16 N2 S
SMILES:	NC(=N)c1sc(Cc2ccccc2)c(c1)c3ccccc3
InChi:	InChI=1S/C18H16N2S/c19-18(20)17-12-15(14-9-5-2-6-10-14)16(21-17)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H3,19,20)
Definition date:	2019-04-30
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	4-phenyl-5-(phenylmethyl)thiophene-2-carboximidamide

K6Z

K6Z
Name:	4-phenyl-5-phenylazanyl-thiophene-2-carboximidamide
Formula:	C17 H15 N3 S
SMILES:	NC(=N)c1sc(Nc2ccccc2)c(c1)c3ccccc3
InChi:	InChI=1S/C17H15N3S/c18-16(19)15-11-14(12-7-3-1-4-8-12)17(21-15)20-13-9-5-2-6-10-13/h1-11,20H,(H3,18,19)
Definition date:	2019-04-30
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	4-phenyl-5-phenylazanyl-thiophene-2-carboximidamide

K7N

K7N
Name:	5-[1-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide
Formula:	C16 H17 N5 S
SMILES:	NCCn1cnc(c1)c2sc(cc2c3ccccc3)C(N)=N
InChi:	InChI=1S/C16H17N5S/c17-6-7-21-9-13(20-10-21)15-12(8-14(22-15)16(18)19)11-4-2-1-3-5-11/h1-5,8-10H,6-7,17H2,(H3,18,19)
Definition date:	2019-05-01
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	5-[1-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide

K7Q

K7Q
Name:	~{N}-(2-azanylethyl)-2-carbamimidoyl-7-methoxy-1-benzothiophene-4-carboxamide
Formula:	C13 H16 N4 O2 S
SMILES:	COc1ccc(C(=O)NCCN)c2cc(sc12)C(N)=N
InChi:	InChI=1S/C13H16N4O2S/c1-19-9-3-2-7(13(18)17-5-4-14)8-6-10(12(15)16)20-11(8)9/h2-3,6H,4-5,14H2,1H3,(H3,15,16)(H,17,18)
Definition date:	2019-05-01
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	~{N}-(2-azanylethyl)-2-carbamimidoyl-7-methoxy-1-benzothiophene-4-carboxamide

K8W

K8W
Name:	7-(6-azanyl-5-methyl-pyridin-2-yl)-1-benzothiophene-2-carboximidamide
Formula:	C15 H14 N4 S
SMILES:	Cc1ccc(nc1N)c2cccc3cc(sc23)C(N)=N
InChi:	InChI=1S/C15H14N4S/c1-8-5-6-11(19-15(8)18)10-4-2-3-9-7-12(14(16)17)20-13(9)10/h2-7H,1H3,(H3,16,17)(H2,18,19)
Definition date:	2019-05-06
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	7-(6-azanyl-5-methyl-pyridin-2-yl)-1-benzothiophene-2-carboximidamide

K92

K92
Name:	5-[3-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide
Formula:	C16 H17 N5 S
SMILES:	NCCn1cncc1c2sc(cc2c3ccccc3)C(N)=N
InChi:	InChI=1S/C16H17N5S/c17-6-7-21-10-20-9-13(21)15-12(8-14(22-15)16(18)19)11-4-2-1-3-5-11/h1-5,8-10H,6-7,17H2,(H3,18,19)
Definition date:	2019-05-06
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	5-[3-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide

R0Y

R0Y
Name:	(2E)-1-[(1S)-1-cyclopropyl-6,7-dimethoxy-3,4-dihydrophthalazin-2(1H)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one
Formula:	C29 H32 N6 O5
SMILES:	c1(nc(N)ncc1Cc2cc(c(c(c2)OC)OC)[C@H]=CC(=O)N3C(c4c(C=N3)cc(c(c4)OC)OC)C5CC5)N
InChi:	InChI=1S/C29H32N6O5/c1-37-22-12-19-15-33-35(26(17-5-6-17)21(19)13-23(22)38-2)25(36)8-7-18-9-16(11-24(39-3)27(18)40-4)10-20-14-32-29(31)34-28(20)30/h7-9,11-15,17,26H,5-6,10H2,1-4H3,(H4,30,31,32,34)/b8-7+/t26-/m0/s1
Definition date:	2020-01-22
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	(2E)-1-[(1S)-1-cyclopropyl-6,7-dimethoxyphthalazin-2(1H)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one

R6T

R6T
Name:	9-oxo-9H-fluorene-4-carboxamide
Formula:	C14 H9 N O2
SMILES:	O=C(c2cccc3C(=O)c1ccccc1c23)N
InChi:	InChI=1S/C14H9NO2/c15-14(17)11-7-3-6-10-12(11)8-4-1-2-5-9(8)13(10)16/h1-7H,(H2,15,17)
Definition date:	2019-10-25
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	9-oxo-9H-fluorene-4-carboxamide

R7T

R7T
Name:	4-[(thiophen-2-yl)methyl]benzoic acid
Formula:	C12 H10 O2 S
SMILES:	OC(=O)c1ccc(cc1)Cc2cccs2
InChi:	InChI=1S/C12H10O2S/c13-12(14)10-5-3-9(4-6-10)8-11-2-1-7-15-11/h1-7H,8H2,(H,13,14)
Definition date:	2019-10-25
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	4-[(thiophen-2-yl)methyl]benzoic acid

HEO

HEO
Name:	HEME O
Formula:	C49 H58 Fe N4 O5
SMILES:	[Fe]321N4C5=CC8=[N+]1C(=Cc7n2c(C=C6[N+]3=C(C=C4C(=C5CCC(=O)O)C)C(=C6C(O)CCC=C(/CCC=C(CCC=C(C)C)C)C)C)c(c7C=C)C)C(=C8CCC(=O)O)C
InChi:	InChI=1S/C49H60N4O5.Fe/c1-10-35-31(6)40-26-45-49(46(54)19-13-18-30(5)17-12-16-29(4)15-11-14-28(2)3)34(9)41(53-45)24-38-32(7)36(20-22-47(55)56)43(51-38)27-44-37(21-23-48(57)58)33(8)39(52-44)25-42(35)50-40
Definition date:	2000-09-28
Last modified:	2020-06-11
Identifier:	[3,3'-{7-ethenyl-12-[(1S,4Z,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-yl]-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~}di(propanoato)(2-)]iron(2+)

R3Y

R3Y
Name:	1-{[7-(5-chloro-2-{[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy}-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl}-1H-pyrrole-2,5-dione
Formula:	C23 H21 Cl F N3 O3 S
SMILES:	Cc4cc(Cl)cc(c2ccnc3cc(CN1C(CCC1=O)=O)sc23)c4OC5CNCC5F
InChi:	InChI=1S/C23H21ClFN3O3S/c1-12-6-13(24)7-16(22(12)31-19-10-26-9-17(19)25)15-4-5-27-18-8-14(32-23(15)18)11-28-20(29)2-3-21(28)30/h4-8,17,19,26H,2-3,9-11H2,1H3/t17-,19+/m0/s1
Definition date:	2020-01-29
Last modified:	2020-06-08
Release date:	2020-04-29
Identifier:	1-{[7-(5-chloro-2-{[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy}-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl}pyrrolidine-2,5-dione

R44

R44
Name:	1-({7-[(2R)-5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl}methyl)-1H-pyrrole-2,5-dione
Formula:	C25 H23 Cl N4 O4 S
SMILES:	c1(Cl)cc(c2c(c1)CC(O2)C(N3CCNCC3)=O)c5ccnc6cc(CN4C(=O)CCC4=O)sc56
InChi:	InChI=1S/C25H23ClN4O4S/c26-15-9-14-10-20(25(33)29-7-5-27-6-8-29)34-23(14)18(11-15)17-3-4-28-19-12-16(35-24(17)19)13-30-21(31)1-2-22(30)32/h3-4,9,11-12,20,27H,1-2,5-8,10,13H2/t20-/m1/s1
Definition date:	2020-01-29
Last modified:	2020-06-08
Release date:	2020-04-29
Identifier:	1-({7-[(2R)-5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl}methyl)pyrrolidine-2,5-dione

SWP

SWP
Name:	methyl ((10R,14S)-14-(4-(3-chloro-2,6-difluorophenyl)-6-oxo-3,6-dihydro- 1(2h)-pyridinyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.0~2,7~]nonadeca- 1(19),2,4,6,15,17-hexaen-5-yl)carbamate
Formula:	C31 H29 Cl F2 N4 O4
SMILES:	COC(=O)Nc1ccc2c(NC(=O)[CH](C)CCC[CH](N3CCC(=CC3=O)c4c(F)ccc(Cl)c4F)c5cc2ccn5)c1
InChi:	InChI=1S/C31H29ClF2N4O4/c1-17-4-3-5-26(38-13-11-19(15-27(38)39)28-23(33)9-8-22(32)29(28)34)25-14-18(10-12-35-25)21-7-6-20(36-31(41)42-2)16-24(21)37-30(17)40/h6-10,12,14-17,26H,3-5,11,13H2,1-2H3,(H,36,41)(H,37,40)/t17-,26+/m1/s1
Definition date:	2020-03-12
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	methyl ~{N}-[(10~{R},14~{S})-14-[4-[3-chloranyl-2,6-bis(fluoranyl)phenyl]-6-oxidanylidene-2,3-dihydropyridin-1-yl]-10-methyl-9-oxidanylidene-8,16-diazatricyclo[13.3.1.0^{2,7}]nonadeca-1(18),2,4,6,15(19),16-hexaen-5-yl]carbamate

VSK

VSK
Name:	(2~{S})-2-azanyl-3-(1~{H}-indol-3-yl)-~{N}-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
Formula:	C22 H27 N3 O
SMILES:	Cc1cc(C)c(CCNC(=O)[CH](N)Cc2c[nH]c3ccccc23)c(C)c1
InChi:	InChI=1S/C22H27N3O/c1-14-10-15(2)18(16(3)11-14)8-9-24-22(26)20(23)12-17-13-25-21-7-5-4-6-19(17)21/h4-7,10-11,13,20,25H,8-9,12,23H2,1-3H3,(H,24,26)/t20-/m0/s1
Synonyms:	VSK-B24
Definition date:	2017-07-21
Last modified:	2020-06-05
Release date:	2018-09-12
Identifier:	(2~{S})-2-azanyl-3-(1~{H}-indol-3-yl)-~{N}-[2-(2,4,6-trimethylphenyl)ethyl]propanamide

UKV

UKV
Name:	(5Z)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:	C11 H9 N O2 S2
SMILES:	COc2cccc([C@H]=C1C(NC(S1)=S)=O)c2
InChi:	InChI=1S/C11H9NO2S2/c1-14-8-4-2-3-7(5-8)6-9-10(13)12-11(15)16-9/h2-6H,1H3,(H,12,13,15)/b9-6-
Definition date:	2020-05-20
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	(5Z)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

UL1

UL1
Name:	(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:	C12 H11 N O3 S2
SMILES:	COc2ccc([C@H]=C1C(=O)NC(=S)S1)cc2OC
InChi:	InChI=1S/C12H11NO3S2/c1-15-8-4-3-7(5-9(8)16-2)6-10-11(14)13-12(17)18-10/h3-6H,1-2H3,(H,13,14,17)/b10-6-
Definition date:	2020-05-20
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

TJ1

TJ1
Name:	3-(propan-2-yl)-1,2,4-oxadiazol-5(4H)-one
Formula:	C5 H8 N2 O2
SMILES:	C1(=O)NC(=NO1)C(C)C
InChi:	InChI=1S/C5H8N2O2/c1-3(2)4-6-5(8)9-7-4/h3H,1-2H3,(H,6,7,8)
Definition date:	2020-03-20
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	3-(propan-2-yl)-1,2,4-oxadiazol-5(4H)-one

TJV

TJV
Name:	1,3-benzodioxole-5-carbothioamide
Formula:	C8 H7 N O2 S
SMILES:	c2c1OCOc1ccc2C(N)=S
InChi:	InChI=1S/C8H7NO2S/c9-8(12)5-1-2-6-7(3-5)11-4-10-6/h1-3H,4H2,(H2,9,12)
Definition date:	2020-03-23
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	2H-1,3-benzodioxole-5-carbothioamide

UQJ

UQJ
Name:	3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide
Formula:	C6 H7 F2 N3 O
SMILES:	NC(=O)c1c(C(F)F)nn(c1)C
InChi:	InChI=1S/C6H7F2N3O/c1-11-2-3(6(9)12)4(10-11)5(7)8/h2,5H,1H3,(H2,9,12)
Definition date:	2020-05-27
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide

UQS

UQS
Name:	N-[(2-fluorophenyl)methyl]-1H-pyrazol-4-amine
Formula:	C10 H10 F N3
SMILES:	n2ncc(NCc1ccccc1F)c2
InChi:	InChI=1S/C10H10FN3/c11-10-4-2-1-3-8(10)5-12-9-6-13-14-7-9/h1-4,6-7,12H,5H2,(H,13,14)
Definition date:	2020-05-27
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	N-[(2-fluorophenyl)methyl]-1H-pyrazol-4-amine

UQY

UQY
Name:	1-(methylamino)cyclopentane-1-carboxamide
Formula:	C7 H14 N2 O
SMILES:	NC(=O)C1(CCCC1)NC
InChi:	InChI=1S/C7H14N2O/c1-9-7(6(8)10)4-2-3-5-7/h9H,2-5H2,1H3,(H2,8,10)
Definition date:	2020-05-27
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	1-(methylamino)cyclopentane-1-carboxamide

UR1

UR1
Name:	3-fluoro-5-methylbenzene-1-sulfonamide
Formula:	C7 H8 F N O2 S
SMILES:	c1c(S(N)(=O)=O)cc(C)cc1F
InChi:	InChI=1S/C7H8FNO2S/c1-5-2-6(8)4-7(3-5)12(9,10)11/h2-4H,1H3,(H2,9,10,11)
Definition date:	2020-05-27
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	3-fluoro-5-methylbenzene-1-sulfonamide

UR4

UR4
Name:	2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
Formula:	C12 H12 N2 O2 S
SMILES:	n1c(csc1NC(COC)=O)c2ccccc2
InChi:	InChI=1S/C12H12N2O2S/c1-16-7-11(15)14-12-13-10(8-17-12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,13,14,15)
Definition date:	2020-05-27
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

UR7

UR7
Name:	1-(3-fluoro-4-methylphenyl)methanesulfonamide
Formula:	C8 H10 F N O2 S
SMILES:	c1(cc(F)c(C)cc1)CS(N)(=O)=O
InChi:	InChI=1S/C8H10FNO2S/c1-6-2-3-7(4-8(6)9)5-13(10,11)12/h2-4H,5H2,1H3,(H2,10,11,12)
Definition date:	2020-05-27
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	1-(3-fluoro-4-methylphenyl)methanesulfonamide

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