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LR6

LR6
Name:	[(1R,3R,4R,7S)-5-(N'-tert-butyl-N-methyl-carbamimidoyl)-3-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-7-oxidanyl-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methyl dihydrogen phosphate
Formula:	C17 H28 N5 O8 P
SMILES:	CNC(=NC(C)(C)C)N1C[C]2(CO[P](O)(O)=O)O[CH]([CH]1[CH]2O)N3C=C(C)C(=O)NC3=O
InChi:	InChI=1S/C17H28N5O8P/c1-9-6-21(15(25)19-12(9)24)13-10-11(23)17(30-13,8-29-31(26,27)28)7-22(10)14(18-5)20-16(2,3)4/h6,10-11,13,23H,7-8H2,1-5H3,(H,18,20)(H,19,24,25)(H2,26,27,28)/t10-,11+,13-,17-/m1/s1
Definition date:	2022-12-07
Last modified:	2023-08-04
Release date:	2023-08-09
Identifier:	[(1~{R},3~{R},4~{R},7~{S})-5-(~{N}'-~{tert}-butyl-~{N}-methyl-carbamimidoyl)-3-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-7-oxidanyl-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methyl dihydrogen phosphate

U5C

U5C
Name:	2,2-bis(oxidanyl)pentanedioic acid
Formula:	C5 H8 O6
SMILES:	OC(=O)CCC(O)(O)C(O)=O
InChi:	InChI=1S/C5H8O6/c6-3(7)1-2-5(10,11)4(8)9/h10-11H,1-2H2,(H,6,7)(H,8,9)
Synonyms:	2,2-dihydroxyglutarate
Definition date:	2023-05-03
Last modified:	2023-08-04
Release date:	2023-08-09
Identifier:	2,2-bis(oxidanyl)pentanedioic acid

UER

UER
Name:	1-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-2-methyl-2-[5-(trifluoromethyl)pyridine-2-sulfonyl]propan-1-one
Formula:	C21 H23 Cl F3 N3 O3 S
SMILES:	FC(F)(F)c1ccc(nc1)S(=O)(=O)C(C)(C)C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1
InChi:	InChI=1S/C21H23ClF3N3O3S/c1-20(2,32(30,31)18-8-5-16(13-26-18)21(23,24)25)19(29)28-11-9-27(10-12-28)14-15-3-6-17(22)7-4-15/h3-8,13H,9-12,14H2,1-2H3
Definition date:	2022-08-17
Last modified:	2023-08-04
Release date:	2023-08-09
Identifier:	1-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-2-methyl-2-[5-(trifluoromethyl)pyridine-2-sulfonyl]propan-1-one

0AN

0AN
Name:	(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-[(~{E})-2-(2-chlorophenyl)ethenyl]-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
Formula:	C28 H26 Cl3 N3 O3 S
SMILES:	Clc1cc(Cl)cc(c1)[S](=O)(=O)N2[CH]3CCC[CH]2C(=O)N(C[CH]3C=Cc4ccccc4Cl)Cc5ccccn5
InChi:	InChI=1S/C28H26Cl3N3O3S/c29-21-14-22(30)16-24(15-21)38(36,37)34-26-9-5-10-27(34)28(35)33(18-23-7-3-4-13-32-23)17-20(26)12-11-19-6-1-2-8-25(19)31/h1-4,6-8,11-16,20,26-27H,5,9-10,17-18H2/b12-11+/t20-,26+,27-/m0/s1
Definition date:	2023-07-10
Last modified:	2023-08-04
Release date:	2023-08-09
Identifier:	(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-[(~{E})-2-(2-chlorophenyl)ethenyl]-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one

VYW

VYW
Name:	~{N}-[3-(cyclopropylcarbamoyl)phenyl]-6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxamide
Formula:	C22 H20 N4 O3
SMILES:	O=C(NC1CC1)c2cccc(NC(=O)C3=NN(Cc4ccccc4)C(=O)C=C3)c2
InChi:	InChI=1S/C22H20N4O3/c27-20-12-11-19(25-26(20)14-15-5-2-1-3-6-15)22(29)24-18-8-4-7-16(13-18)21(28)23-17-9-10-17/h1-8,11-13,17H,9-10,14H2,(H,23,28)(H,24,29)
Definition date:	2023-04-14
Last modified:	2023-08-04
Release date:	2023-08-09
Identifier:	~{N}-[3-(cyclopropylcarbamoyl)phenyl]-6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxamide

IGS

IGS
Name:	~{N}-[3-[[5-[1-[2,6-bis(fluoranyl)-3-[(3-phenylphenyl)sulfonylamino]phenyl]-1,2,3-triazol-4-yl]-1~{H}-pyrazolo[3,4-b]pyridin-3-yl]oxy]propyl]propanamide
Formula:	C32 H28 F2 N8 O4 S
SMILES:	CCC(=O)NCCCOc1n[nH]c2ncc(cc12)c3cn(nn3)c4c(F)ccc(N[S](=O)(=O)c5cccc(c5)c6ccccc6)c4F
InChi:	InChI=1S/C32H28F2N8O4S/c1-2-28(43)35-14-7-15-46-32-24-17-22(18-36-31(24)38-39-32)27-19-42(41-37-27)30-25(33)12-13-26(29(30)34)40-47(44,45)23-11-6-10-21(16-23)20-8-4-3-5-9-20/h3-6,8-13,16-19,40H,2,7,14-15H2,1H3,(H,35,43)(H,36,38,39)
Definition date:	2022-06-30
Last modified:	2023-08-04
Release date:	2023-08-09
Identifier:	~{N}-[3-[[5-[1-[2,6-bis(fluoranyl)-3-[(3-phenylphenyl)sulfonylamino]phenyl]-1,2,3-triazol-4-yl]-1~{H}-pyrazolo[3,4-b]pyridin-3-yl]oxy]propyl]propanamide

IGV

IGV
Name:	~{N}-[2,4-bis(fluoranyl)-3-[4-[3-[(3~{S})-1-propanoylpyrrolidin-3-yl]oxy-1~{H}-pyrazolo[3,4-b]pyridin-5-yl]-1,2,3-triazol-1-yl]phenyl]-3-phenyl-benzenesulfonamide
Formula:	C33 H28 F2 N8 O4 S
SMILES:	CCC(=O)N1CC[CH](C1)Oc2n[nH]c3ncc(cc23)c4cn(nn4)c5c(F)ccc(N[S](=O)(=O)c6cccc(c6)c7ccccc7)c5F
InChi:	InChI=1S/C33H28F2N8O4S/c1-2-29(44)42-14-13-23(18-42)47-33-25-16-22(17-36-32(25)38-39-33)28-19-43(41-37-28)31-26(34)11-12-27(30(31)35)40-48(45,46)24-10-6-9-21(15-24)20-7-4-3-5-8-20/h3-12,15-17,19,23,40H,2,13-14,18H2,1H3,(H,36,38,39)/t23-/m0/s1
Definition date:	2022-06-30
Last modified:	2023-08-04
Release date:	2023-08-09
Identifier:	~{N}-[2,4-bis(fluoranyl)-3-[4-[3-[(3~{S})-1-propanoylpyrrolidin-3-yl]oxy-1~{H}-pyrazolo[3,4-b]pyridin-5-yl]-1,2,3-triazol-1-yl]phenyl]-3-phenyl-benzenesulfonamide

WUC

WUC
Name:	(15P)-17-chloro-33-fluoro-12-[(2-methoxyethoxy)methyl]-5,14,22-trimethyl-28-oxa-9-thia-5,6,13,14,22-pentaazaheptacyclo[27.7.1.1~4,7~.0~11,15~.0~16,21~.0~20,24~.0~30,35~]octatriaconta-1(36),4(38),6,11(15),12,16,18,20,23,29(37),30,32,34-tridecaene-23-carboxylic acid
Formula:	C39 H41 Cl F N5 O5 S
SMILES:	O=C(O)c1n(C)c2c3ccc(Cl)c2c2c(CSCc4nn(C)c(CCc5cc6cc(F)ccc6c(OCCCc31)c5)c4)c(COCCOC)nn2C
InChi:	InChI=1S/C39H41ClFN5O5S/c1-44-36-30-11-12-32(40)35(36)37-31(33(43-46(37)3)20-50-15-14-49-4)22-52-21-26-19-27(45(2)42-26)9-7-23-16-24-18-25(41)8-10-28(24)34(17-23)51-13-5-6-29(30)38(44)39(47)48/h8,10-12,16-19H,5-7,9,13-15,20-22H2,1-4H3,(H,47,48)
Definition date:	2023-05-18
Last modified:	2023-08-04
Release date:	2023-08-09
Identifier:	(15P)-17-chloro-33-fluoro-12-[(2-methoxyethoxy)methyl]-5,14,22-trimethyl-28-oxa-9-thia-5,6,13,14,22-pentaazaheptacyclo[27.7.1.1~4,7~.0~11,15~.0~16,21~.0~20,24~.0~30,35~]octatriaconta-1(36),4(38),6,11(15),12,16,18,20,23,29(37),30,32,34-tridecaene-23-carboxylic acid (non-preferred name)

Z4Y

Z4Y
Name:	6-thio-alpha-D-mannopyranose
Formula:	C6 H12 O5 S
SMILES:	OC1C(O)C(OC(O)C1O)CS
InChi:	InChI=1S/C6H12O5S/c7-3-2(1-12)11-6(10)5(9)4(3)8/h2-10,12H,1H2/t2-,3-,4+,5+,6+/m1/s1
Synonyms:	6-thio-alpha-D-mannose
Definition date:	2012-12-17
Last modified:	2023-08-03
Release date:	2018-08-01
Identifier:	6-thio-alpha-D-mannopyranose

IY0

IY0
Name:	[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)furan-2-yl]methyl dihydrogen phosphate
Formula:	C9 H10 N3 O8 P
SMILES:	NC1=NC(=O)N(C=C1)c2oc(CO[P](O)(O)=O)c(O)c2O
InChi:	InChI=1S/C9H10N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)
Definition date:	2022-08-02
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)furan-2-yl]methyl dihydrogen phosphate

IY9

IY9
Name:	[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-furan-2-yl]methyl dihydrogen phosphate
Formula:	C9 H10 N3 O7 P
SMILES:	NC1=NC(=O)N(C=C1)c2oc(CO[P](O)(O)=O)c(O)c2
InChi:	InChI=1S/C9H10N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-3,13H,4H2,(H2,10,11,14)(H2,15,16,17)
Definition date:	2022-08-02
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-furan-2-yl]methyl dihydrogen phosphate

IYV

IYV
Name:	(2R,3R,4S,5R,6R)-2-[(1R,2R)-1-azanyl-2-oxidanyl-propyl]-6-methylsulfanyl-oxane-3,4,5-triol
Formula:	C9 H19 N O5 S
SMILES:	CS[CH]1O[CH]([CH](N)[CH](C)O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C9H19NO5S/c1-3(11)4(10)8-6(13)5(12)7(14)9(15-8)16-2/h3-9,11-14H,10H2,1-2H3/t3-,4-,5+,6-,7-,8-,9-/m1/s1
Definition date:	2022-08-04
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	(2~{R},3~{R},4~{S},5~{R},6~{R})-2-[(1~{R},2~{R})-1-azanyl-2-oxidanyl-propyl]-6-methylsulfanyl-oxane-3,4,5-triol

IZ8

IZ8
Name:	4-azanyl-6-[[4-[4-[(~{E})-(8-azanyl-1-oxidanyl-5,7-disulfo-naphthalen-2-yl)diazenyl]-3-methyl-phenyl]-2-methyl-phenyl]diazenyl]-5-oxidanyl-naphthalene-1,3-disulfonic acid
Formula:	C34 H28 N6 O14 S4
SMILES:	Cc1cc(ccc1N=Nc2ccc3c(cc(c(N)c3c2O)[S](O)(=O)=O)[S](O)(=O)=O)c4ccc(N=Nc5ccc6c(cc(c(N)c6c5O)[S](O)(=O)=O)[S](O)(=O)=O)c(C)c4
InChi:	InChI=1S/C34H28N6O14S4/c1-15-11-17(3-7-21(15)37-39-23-9-5-19-25(55(43,44)45)13-27(57(49,50)51)31(35)29(19)33(23)41)18-4-8-22(16(2)12-18)38-40-24-10-6-20-26(56(46,47)48)14-28(58(52,53)54)32(36)30(20)34(24)42/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/b39-37+,40-38+
Definition date:	2022-08-04
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	4-azanyl-6-[[4-[4-[(~{E})-(8-azanyl-1-oxidanyl-5,7-disulfo-naphthalen-2-yl)diazenyl]-3-methyl-phenyl]-2-methyl-phenyl]diazenyl]-5-oxidanyl-naphthalene-1,3-disulfonic acid

IZM

IZM
Name:	5-[(~{E})-2-(6-methoxy-1,3-benzoxazol-2-yl)ethenyl]-~{N},~{N}-dimethyl-1,3-thiazol-2-amine
Formula:	C15 H15 N3 O2 S
SMILES:	COc1ccc2nc(oc2c1)C=Cc3sc(nc3)N(C)C
InChi:	InChI=1S/C15H15N3O2S/c1-18(2)15-16-9-11(21-15)5-7-14-17-12-6-4-10(19-3)8-13(12)20-14/h4-9H,1-3H3/b7-5+
Definition date:	2022-08-04
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	5-[(~{E})-2-(6-methoxy-1,3-benzoxazol-2-yl)ethenyl]-~{N},~{N}-dimethyl-1,3-thiazol-2-amine

IZV

IZV
Name:	2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-ol
Formula:	C14 H12 N2 O S
SMILES:	CNc1ccc(cc1)c2sc3cc(O)ccc3n2
InChi:	InChI=1S/C14H12N2OS/c1-15-10-4-2-9(3-5-10)14-16-12-7-6-11(17)8-13(12)18-14/h2-8,15,17H,1H3
Definition date:	2022-08-04
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-ol

JV6

JV6
Name:	5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-pyrazole-4-carboxylic acid
Formula:	C12 H14 N6 O7 S
SMILES:	COc1cc(OC)nc(NC(=O)N[S](=O)(=O)c2n(C)ncc2C(O)=O)n1
InChi:	InChI=1S/C12H14N6O7S/c1-18-9(6(5-13-18)10(19)20)26(22,23)17-12(21)16-11-14-7(24-2)4-8(15-11)25-3/h4-5H,1-3H3,(H,19,20)(H2,14,15,16,17,21)
Definition date:	2022-08-29
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-pyrazole-4-carboxylic acid

M6L

M6L
Name:	(phenylmethyl) ~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S},3~{S})-2-oxidanyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)hexan-3-yl]amino]pentan-2-yl]carbamate
Formula:	C26 H36 N4 O5
SMILES:	CCC[CH](NC(=O)[CH](CC(C)C)NC(=O)OCc1ccccc1)[CH](O)C(=O)NCc2ccccn2
InChi:	InChI=1S/C26H36N4O5/c1-4-10-21(23(31)25(33)28-16-20-13-8-9-14-27-20)29-24(32)22(15-18(2)3)30-26(34)35-17-19-11-6-5-7-12-19/h5-9,11-14,18,21-23,31H,4,10,15-17H2,1-3H3,(H,28,33)(H,29,32)(H,30,34)/t21-,22-,23-/m0/s1
Definition date:	2022-07-25
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	(phenylmethyl) ~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S},3~{S})-2-oxidanyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)hexan-3-yl]amino]pentan-2-yl]carbamate

9U1

9U1
Name:	N-(diaminomethylidene)urea
Formula:	C2 H6 N4 O
SMILES:	NC(N)=N/C(N)=O
InChi:	InChI=1S/C2H6N4O/c3-1(4)6-2(5)7/h(H6,3,4,5,6,7)
Definition date:	2023-07-14
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	N-(diaminomethylidene)urea

R4O

R4O
Name:	methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate
Formula:	C12 H13 N5 O6 S2
SMILES:	COC(=O)c1sccc1[S](=O)(=O)NC(=O)Nc2nc(C)nc(OC)n2
InChi:	InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)
Synonyms:	Thifensulfuron-methyl
Definition date:	2023-03-31
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate

R9X

R9X
Name:	[(R)-(decanoylamino)-naphthalen-1-yl-methyl]phosphonic acid
Formula:	C21 H30 N O4 P
SMILES:	CCCCCCCCCC(=O)N[CH](c1cccc2ccccc12)[P](O)(O)=O
InChi:	InChI=1S/C21H30NO4P/c1-2-3-4-5-6-7-8-16-20(23)22-21(27(24,25)26)19-15-11-13-17-12-9-10-14-18(17)19/h9-15,21H,2-8,16H2,1H3,(H,22,23)(H2,24,25,26)/t21-/m1/s1
Definition date:	2022-11-28
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	[(~{R})-(decanoylamino)-naphthalen-1-yl-methyl]phosphonic acid

AV8

AV8
Name:	2-carboxamido-2-deacetyl-chelocardin
Formula:	C21 H20 N2 O7
SMILES:	Cc1ccc2c(C)c3C[CH]4[CH](N)C(=C(C(N)=O)C(=O)[C]4(O)C(=O)c3c(O)c2c1O)O
InChi:	InChI=1S/C21H20N2O7/c1-6-3-4-8-7(2)9-5-10-14(22)17(26)13(20(23)29)19(28)21(10,30)18(27)12(9)16(25)11(8)15(6)24/h3-4,10,14,24-26,30H,5,22H2,1-2H3,(H2,23,29)/t10-,14+,21-/m1/s1
Synonyms:	(4S,4aR,12aR)-4-azanyl-6,9-dimethyl-3,10,11,12a-tetrakis(oxidanyl)-1,12-bis(oxidanylidene)-4a,5-dihydro-4H-tetracene-2-carboxamide
Definition date:	2017-08-24
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	(4~{S},4~{a}~{R},12~{a}~{R})-4-azanyl-6,9-dimethyl-3,10,11,12~{a}-tetrakis(oxidanyl)-1,12-bis(oxidanylidene)-4~{a},5-dihydro-4~{H}-tetracene-2-carboxamide

SD7

SD7
Name:	4-[(2~{S})-3-azanyl-2-methyl-propyl]-7-methoxy-1-benzothiophene-2-carboximidamide
Formula:	C14 H19 N3 O S
SMILES:	COc1ccc(C[CH](C)CN)c2cc(sc12)C(N)=N
InChi:	InChI=1S/C14H19N3OS/c1-8(7-15)5-9-3-4-11(18-2)13-10(9)6-12(19-13)14(16)17/h3-4,6,8H,5,7,15H2,1-2H3,(H3,16,17)/t8-/m0/s1
Definition date:	2022-12-15
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	4-[(2~{S})-3-azanyl-2-methyl-propyl]-7-methoxy-1-benzothiophene-2-carboximidamide

SDM

SDM
Name:	4-ethoxy-1-benzothiophene-2-carboximidamide
Formula:
SMILES:	CCOc1cccc2sc(cc12)C(N)=N
InChi:	InChI=1S/C11H12N2OS/c1-2-14-8-4-3-5-9-7(8)6-10(15-9)11(12)13/h3-6H,2H2,1H3,(H3,12,13)
Definition date:	2022-12-15
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	4-ethoxy-1-benzothiophene-2-carboximidamide

SE3

SE3
Name:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-[(4-chlorophenyl)amino]-2-methyl-propanamide
Formula:	C21 H21 Cl N4 O S
SMILES:	CC(C)(Nc1ccc(Cl)cc1)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N
InChi:	InChI=1S/C21H21ClN4OS/c1-21(2,26-16-8-6-15(22)7-9-16)20(27)25-17-5-3-4-13(10-17)14-11-18(19(23)24)28-12-14/h3-12,26H,1-2H3,(H3,23,24)(H,25,27)
Definition date:	2022-12-15
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-[(4-chlorophenyl)amino]-2-methyl-propanamide

SH9

SH9
Name:	4-ethoxy-1-benzothiophene-2-carboximidamide
Formula:	C11 H12 N2 O S
SMILES:	CCOc1cccc2sc(cc12)C(N)=N
InChi:	InChI=1S/C11H12N2OS/c1-2-14-8-4-3-5-9-7(8)6-10(15-9)11(12)13/h3-6H,2H2,1H3,(H3,12,13)
Definition date:	2022-12-15
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	4-ethoxy-1-benzothiophene-2-carboximidamide

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