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U3N

U3N
Name:	1-(4-fluorophenyl)-3-(4-sulfamoylphenyl)selenourea
Formula:	C13 H12 F N3 O2 S Se
SMILES:	N[S](=O)(=O)c1ccc(NC(=[Se])Nc2ccc(F)cc2)cc1
InChi:	InChI=1S/C13H12FN3O2SSe/c14-9-1-3-10(4-2-9)16-13(21)17-11-5-7-12(8-6-11)20(15,18)19/h1-8H,(H2,15,18,19)(H2,16,17,21)
Definition date:	2021-01-19
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	1-(4-fluorophenyl)-3-(4-sulfamoylphenyl)selenourea

U3Q

U3Q
Name:	1-Naphthalenepentanoic acid
Formula:	C15 H16 O2
SMILES:	OC(=O)CCCCc1cccc2ccccc12
InChi:	InChI=1S/C15H16O2/c16-15(17)11-4-2-7-13-9-5-8-12-6-1-3-10-14(12)13/h1,3,5-6,8-10H,2,4,7,11H2,(H,16,17)
Synonyms:	5-naphthalen-1-ylpentanoic acid
Definition date:	2021-01-19
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	5-naphthalen-1-ylpentanoic acid

U3T

U3T
Name:	6-(2-prop-2-ynoxyphenyl)hexanoic acid
Formula:	C15 H18 O3
SMILES:	OC(=O)CCCCCc1ccccc1OCC#C
InChi:	InChI=1S/C15H18O3/c1-2-12-18-14-10-7-6-9-13(14)8-4-3-5-11-15(16)17/h1,6-7,9-10H,3-5,8,11-12H2,(H,16,17)
Synonyms:	Benzenehexanoic acid, 2-(2-propyn-1-yloxy)-
Definition date:	2021-01-19
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	6-(2-prop-2-ynoxyphenyl)hexanoic acid

U3W

U3W
Name:	2-methyl-4-(phenylmethyl)-1,2,4-thiadiazolidine-3,5-dione
Formula:	C10 H10 N2 O2 S
SMILES:	CN1SC(=O)N(Cc2ccccc2)C1=O
InChi:	InChI=1S/C10H10N2O2S/c1-11-9(13)12(10(14)15-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
Definition date:	2021-01-20
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	2-methyl-4-(phenylmethyl)-1,2,4-thiadiazolidine-3,5-dione

U4K

U4K
Name:	2-isoquinolin-1-ylsulfanylethanoic acid
Formula:	C11 H9 N O2 S
SMILES:	OC(=O)CSc1nccc2ccccc12
InChi:	InChI=1S/C11H9NO2S/c13-10(14)7-15-11-9-4-2-1-3-8(9)5-6-12-11/h1-6H,7H2,(H,13,14)
Synonyms:	(Isoquinolin-1-ylsulfanyl)-acetic acid
Definition date:	2021-01-21
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	2-isoquinolin-1-ylsulfanylethanoic acid

U4T

U4T
Name:	4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid
Formula:	C13 H10 O2 S
SMILES:	OC(=O)c1sc2c(CCc3ccccc23)c1
InChi:	InChI=1S/C13H10O2S/c14-13(15)11-7-9-6-5-8-3-1-2-4-10(8)12(9)16-11/h1-4,7H,5-6H2,(H,14,15)
Synonyms:	4,5-Dihydronaphtho[1,2-b]thiophene-2-carboxylic acid
Definition date:	2021-01-21
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid

U58

U58
Name:	3-(quinazolin-4-ylsulfanyl)propanoic acid
Formula:	C11 H10 N2 O2 S
SMILES:	OC(=O)CCSc1ncnc2ccccc12
InChi:	InChI=1S/C11H10N2O2S/c14-10(15)5-6-16-11-8-3-1-2-4-9(8)12-7-13-11/h1-4,7H,5-6H2,(H,14,15)
Synonyms:	3-quinazolin-4-ylsulfanylpropanoic acid
Definition date:	2021-01-21
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	3-quinazolin-4-ylsulfanylpropanoic acid

U5B

U5B
Name:	2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanoic acid
Formula:	C14 H12 O2 S
SMILES:	OC(=O)CSc1ccc2CCc3cccc1c23
InChi:	InChI=1S/C14H12O2S/c15-13(16)8-17-12-7-6-10-5-4-9-2-1-3-11(12)14(9)10/h1-3,6-7H,4-5,8H2,(H,15,16)
Synonyms:	(Acenaphthen-5-ylsulfanyl)-acetic acid
Definition date:	2021-01-21
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanoic acid

U5E

U5E
Name:	N-methyl-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide
Formula:	C14 H13 N O S
SMILES:	CNC(=O)c1sc2c(CCc3ccccc23)c1
InChi:	InChI=1S/C14H13NOS/c1-15-14(16)12-8-10-7-6-9-4-2-3-5-11(9)13(10)17-12/h2-5,8H,6-7H2,1H3,(H,15,16)
Synonyms:	~{N}-methyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
Definition date:	2021-01-22
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	~{N}-methyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

U5H

U5H
Name:	(5~{S})-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one
Formula:	C10 H12 N2 O
SMILES:	CN1[CH](CCC1=O)c2cccnc2
InChi:	InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1
Definition date:	2021-01-22
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	(5~{S})-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one

U5T

U5T
Name:	(4~{E})-2-(3,4-dimethylphenyl)-4-[(1-methylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one
Formula:	C16 H15 N3 O2
SMILES:	Cn1cc(cn1)C=C2N=C(OC2=O)c3ccc(C)c(C)c3
InChi:	InChI=1S/C16H15N3O2/c1-10-4-5-13(6-11(10)2)15-18-14(16(20)21-15)7-12-8-17-19(3)9-12/h4-9H,1-3H3/b14-7+
Definition date:	2021-01-22
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	(4~{E})-2-(3,4-dimethylphenyl)-4-[(1-methylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one

U5Z

U5Z
Name:	1-[(4-fluorophenyl)amino]thiourea
Formula:	C7 H8 F N3 S
SMILES:	NC(=S)NNc1ccc(F)cc1
InChi:	InChI=1S/C7H8FN3S/c8-5-1-3-6(4-2-5)10-11-7(9)12/h1-4,10H,(H3,9,11,12)
Definition date:	2021-01-25
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	1-[(4-fluorophenyl)amino]thiourea

U62

U62
Name:	4~{H}-thieno[3,2-c]chromene-2-carboxylic acid
Formula:	C12 H8 O3 S
SMILES:	OC(=O)c1sc2c(COc3ccccc23)c1
InChi:	InChI=1S/C12H8O3S/c13-12(14)10-5-7-6-15-9-4-2-1-3-8(9)11(7)16-10/h1-5H,6H2,(H,13,14)
Definition date:	2021-01-25
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	4~{H}-thieno[3,2-c]chromene-2-carboxylic acid

U65

U65
Name:	methyl 3~{a},4-dihydro-3~{H}-thieno[3,2-c]chromene-2-carboxylate
Formula:	C13 H10 O3 S
SMILES:	COC(=O)c1sc2c(COc3ccccc23)c1
InChi:	InChI=1S/C13H10O3S/c1-15-13(14)11-6-8-7-16-10-5-3-2-4-9(10)12(8)17-11/h2-6H,7H2,1H3
Definition date:	2021-01-25
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	methyl 4~{H}-thieno[3,2-c]chromene-2-carboxylate

U6K

U6K
Name:	(2~{R},3~{R},4~{S},5~{R})-2-[(4~{a}~{S},7~{a}~{S})-4-azanyl-1,4,4~{a},7~{a}-tetrahydropyrrolo[2,3-d]pyrimidin-7-yl]-5-(quinolin-7-yloxymethyl)oxolane-3,4-diol
Formula:	C20 H23 N5 O4
SMILES:	N[CH]1N=CN[CH]2[CH]1C=CN2[CH]3O[CH](COc4ccc5cccnc5c4)[CH](O)[CH]3O
InChi:	InChI=1S/C20H23N5O4/c21-18-13-5-7-25(19(13)24-10-23-18)20-17(27)16(26)15(29-20)9-28-12-4-3-11-2-1-6-22-14(11)8-12/h1-8,10,13,15-20,26-27H,9,21H2,(H,23,24)/t13-,15+,16+,17+,18+,19-,20+/m0/s1
Definition date:	2021-01-25
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2-[(4~{a}~{S},7~{a}~{S})-4-azanyl-1,4,4~{a},7~{a}-tetrahydropyrrolo[2,3-d]pyrimidin-7-yl]-5-(quinolin-7-yloxymethyl)oxolane-3,4-diol

TN8

TN8
Name:	~{N}'-(4-iodophenyl)-~{N}-[2-(4-sulfamoylphenyl)ethyl]carbamimidoselenoic acid
Formula:	C15 H16 I N3 O2 S Se
SMILES:	N[S](=O)(=O)c1ccc(CCNC([SeH])=Nc2ccc(I)cc2)cc1
InChi:	InChI=1S/C15H16IN3O2SSe/c16-12-3-5-13(6-4-12)19-15(23)18-10-9-11-1-7-14(8-2-11)22(17,20)21/h1-8H,9-10H2,(H2,17,20,21)(H2,18,19,23)
Definition date:	2021-01-12
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	~{N}'-(4-iodophenyl)-~{N}-[2-(4-sulfamoylphenyl)ethyl]carbamimidoselenoic acid

TQH

TQH
Name:	~{N}-[(5-methylfuran-2-yl)methyl]-5-thiophen-2-yl-4~{H}-1,2,4-triazol-3-amine
Formula:	C12 H12 N4 O S
SMILES:	Cc1oc(CNc2[nH]c(nn2)c3sccc3)cc1
InChi:	InChI=1S/C12H12N4OS/c1-8-4-5-9(17-8)7-13-12-14-11(15-16-12)10-3-2-6-18-10/h2-6H,7H2,1H3,(H2,13,14,15,16)
Definition date:	2021-01-12
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	~{N}-[(5-methylfuran-2-yl)methyl]-5-thiophen-2-yl-4~{H}-1,2,4-triazol-3-amine

U7T

U7T
Name:	[(2~{R},3~{S},5~{R})-3-oxidanyl-5-(2-oxidanylidene-1~{H}-imidazo[2,1-f]purin-3-yl)oxolan-2-yl]methyl dihydrogen phosphite
Formula:	C12 H14 N5 O6 P
SMILES:	O[CH]1C[CH](O[CH]1COP(O)O)N2C(=O)Nc3c4nccn4cnc23
InChi:	InChI=1S/C12H14N5O6P/c18-6-3-8(23-7(6)4-22-24(20)21)17-11-9(15-12(17)19)10-13-1-2-16(10)5-14-11/h1-2,5-8,18,20-21H,3-4H2,(H,15,19)/t6-,7+,8+/m0/s1
Synonyms:	7,8-dihydro-8-oxo-1,N6-ethenoadenine
Definition date:	2021-01-28
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	[(2~{R},3~{S},5~{R})-3-oxidanyl-5-(2-oxidanylidene-1~{H}-imidazo[2,1-f]purin-3-yl)oxolan-2-yl]methyl dihydrogen phosphite

8QI

8QI
Name:	({(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2S)-2-hydroxy-2-phosphonoethoxy]propoxy}methyl)phosphonic acid
Formula:	C11 H19 N5 O10 P2
SMILES:	O=P(O)(O)COCC(OCC(O)P(=O)(O)O)Cn1cnc2c1N=C(N)NC2=O
InChi:	InChI=1S/C11H19N5O10P2/c12-11-14-9-8(10(18)15-11)13-4-16(9)1-6(2-25-5-27(19,20)21)26-3-7(17)28(22,23)24/h4,6-7,17H,1-3,5H2,(H2,19,20,21)(H2,22,23,24)(H3,12,14,15,18)/t6-,7-/m0/s1
Definition date:	2021-09-24
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	({(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2S)-2-hydroxy-2-phosphonoethoxy]propoxy}methyl)phosphonic acid

UGW

UGW
Name:	2,4-di~{tert}-butylphenol
Formula:	C14 H22 O
SMILES:	CC(C)(C)c1ccc(O)c(c1)C(C)(C)C
InChi:	InChI=1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3
Definition date:	2021-02-22
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	2,4-di~{tert}-butylphenol

CN9

CN9
Name:	1-methyl-9H-pyrido[3,4-b]indole
Formula:	C12 H10 N2
SMILES:	Cc1nccc2c3ccccc3[NH]c21
InChi:	InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3
Synonyms:	harmane
Definition date:	2021-11-22
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	1-methyl-9H-pyrido[3,4-b]indole

UYH

UYH
Name:	[(2~{S})-3-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-octadecanoyloxy-propyl] octadecanoate
Formula:	C45 H86 O10
SMILES:	CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCCCCCCCCCCCC
InChi:	InChI=1S/C45H86O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39,42-46,49-51H,3-37H2,1-2H3/t38-,39-,42-,43+,44-,45-/m1/s1
Definition date:	2021-03-29
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	[(2~{S})-3-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-octadecanoyloxy-propyl] octadecanoate

J9X

J9X
Name:	2-(ethylamino)-2-oxidanylidene-ethanoic acid
Formula:	C4 H7 N O3
SMILES:	CCNC(=O)C(O)=O
InChi:	InChI=1S/C4H7NO3/c1-2-5-3(6)4(7)8/h2H2,1H3,(H,5,6)(H,7,8)
Definition date:	2021-05-01
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	2-(ethylamino)-2-oxidanylidene-ethanoic acid

V75

V75
Name:	(2~{S},3~{S},4~{S},5~{S})-4,5-diacetyloxy-3-oxidanyl-oxane-2-carboxylic acid
Formula:	C10 H14 O8
SMILES:	CC(=O)O[CH]1CO[CH]([CH](O)[CH]1OC(C)=O)C(O)=O
InChi:	InChI=1S/C10H14O8/c1-4(11)17-6-3-16-9(10(14)15)7(13)8(6)18-5(2)12/h6-9,13H,3H2,1-2H3,(H,14,15)/t6-,7-,8+,9-/m0/s1
Definition date:	2021-04-21
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	(2~{S},3~{S},4~{S},5~{S})-4,5-diacetyloxy-3-oxidanyl-oxane-2-carboxylic acid

V7B

V7B
Name:	[(2~{S})-3-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-5-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-2-(12-methyltridecanoyloxy)propyl] 12-methyltridecanoate
Formula:	C43 H80 O15
SMILES:	CC(C)CCCCCCCCCCC(=O)OC[CH](CO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O)OC(=O)CCCCCCCCCCC(C)C
InChi:	InChI=1S/C43H80O15/c1-29(2)21-17-13-9-5-7-11-15-19-23-34(46)53-27-31(55-35(47)24-20-16-12-8-6-10-14-18-22-30(3)4)28-54-42-40(52)38(50)41(33(26-45)57-42)58-43-39(51)37(49)36(48)32(25-44)56-43/h29-33,36-45,48-52H,5-28H2,1-4H3/t31-,32-,33-,36-,37+,38-,39-,40-,41-,42-,43-/m1/s1
Definition date:	2021-04-21
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	[(2~{S})-3-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-5-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-2-(12-methyltridecanoyloxy)propyl] 12-methyltridecanoate

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