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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

V7N

V7N
Name:	(2~{E},4~{E},6~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{Z},24~{E},26~{E},28~{E})-23-methanoyl-31-methoxy-2,6,10,14,19,27,31-heptamethyl-dotriaconta-2,4,6,10,12,14,16,18,20,22,24,26,28-tridecaenoic acid
Formula:	C41 H54 O4
SMILES:	COC(C)(C)CC=CC(C)=CC=CC(C=O)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)C=CC=C(C)C(O)=O
InChi:	InChI=1S/C41H54O4/c1-33(20-12-21-35(3)22-13-23-36(4)24-14-28-38(6)40(43)44)18-10-11-19-34(2)25-15-29-39(32-42)30-16-26-37(5)27-17-31-41(7,8)45-9/h10-12,14-21,23-30,32H,13,22,31H2,1-9H3,(H,43,44)/b11-10+,20-12+,24-14+,25-15+,27-17+,30-16+,33-18+,34-19+,35-21+,36-23+,37-26+,38-28+,39-29-
Definition date:	2021-04-23
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	(2~{E},4~{E},6~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{Z},24~{E},26~{E},28~{E})-23-methanoyl-31-methoxy-2,6,10,14,19,27,31-heptamethyl-dotriaconta-2,4,6,10,12,14,16,18,20,22,24,26,28-tridecaenoic acid

G2T

G2T
Name:	diethyl {[2-(3-[4-(methanesulfonyl)phenoxy]-5-{[(2S)-1-methoxypropan-2-yl]oxy}benzamido)-1,3-thiazol-4-yl]methyl}phosphonate
Formula:	C26 H33 N2 O9 P S2
SMILES:	O=C(Nc1nc(CP(=O)(OCC)OCC)cs1)c1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(OC(C)COC)c1
InChi:	InChI=1S/C26H33N2O9PS2/c1-6-34-38(30,35-7-2)16-20-17-39-26(27-20)28-25(29)19-12-22(36-18(3)15-33-4)14-23(13-19)37-21-8-10-24(11-9-21)40(5,31)32/h8-14,17-18H,6-7,15-16H2,1-5H3,(H,27,28,29)/t18-/m0/s1
Definition date:	2021-12-15
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	diethyl {[2-(3-[4-(methanesulfonyl)phenoxy]-5-{[(2S)-1-methoxypropan-2-yl]oxy}benzamido)-1,3-thiazol-4-yl]methyl}phosphonate

G77

G77
Name:	(1S,3aR,4R,6R,7aS)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2S,3R)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate
Formula:	C33 H40 F2 N4 O7 S2
SMILES:	Fc1cc(cc(F)c1)CC(NC(=O)OC1CC2CC3C(O2)OCC31)C(O)CN(CC(C)C)S(=O)(=O)c1ccc2nc(NC3CC3)sc2c1
InChi:	InChI=1S/C33H40F2N4O7S2/c1-17(2)14-39(48(42,43)23-5-6-26-30(13-23)47-32(37-26)36-21-3-4-21)15-28(40)27(9-18-7-19(34)10-20(35)8-18)38-33(41)46-29-12-22-11-24-25(29)16-44-31(24)45-22/h5-8,10,13,17,21-22,24-25,27-29,31,40H,3-4,9,11-12,14-16H2,1-2H3,(H,36,37)(H,38,41)/t22-,24+,25+,27+,28-,29-,31+/m1/s1
Definition date:	2022-01-24
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	(1S,3aR,4R,6R,7aS)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2S,3R)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate

G8R

G8R
Name:	(1R,3aS,4S,6S,7aR)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2S,3R)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
Formula:	C33 H42 N4 O7 S2
SMILES:	O=C(OC1CC2CC3C(O2)OCC31)NC(Cc1ccccc1)C(O)CN(CC(C)C)S(=O)(=O)c1ccc2nc(NC3CC3)sc2c1
InChi:	InChI=1S/C33H42N4O7S2/c1-19(2)16-37(46(40,41)23-10-11-26-30(15-23)45-32(35-26)34-21-8-9-21)17-28(38)27(12-20-6-4-3-5-7-20)36-33(39)44-29-14-22-13-24-25(29)18-42-31(24)43-22/h3-7,10-11,15,19,21-22,24-25,27-29,31,38H,8-9,12-14,16-18H2,1-2H3,(H,34,35)(H,36,39)/t22-,24+,25+,27-,28+,29-,31+/m0/s1
Definition date:	2022-01-24
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	(1R,3aS,4S,6S,7aR)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2S,3R)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate

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

TZ8

TZ8
Name:	(2~{R})-2-azanyl-5-[[(2~{R})-3-(hexylcarbamothioylsulfanyl)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
Formula:	C17 H30 N4 O6 S2
SMILES:	CCCCCCNC(=S)SC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O
InChi:	InChI=1S/C17H30N4O6S2/c1-2-3-4-5-8-19-17(28)29-10-12(15(25)20-9-14(23)24)21-13(22)7-6-11(18)16(26)27/h11-12H,2-10,18H2,1H3,(H,19,28)(H,20,25)(H,21,22)(H,23,24)(H,26,27)/t11-,12+/m1/s1
Definition date:	2021-01-14
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	(2~{R})-2-azanyl-5-[[(2~{R})-3-(hexylcarbamothioylsulfanyl)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

TZQ

TZQ
Name:	5-[(3-chloranyl-4-fluoranyl-phenoxy)methyl]furan-2-carboxylic acid
Formula:	C12 H8 Cl F O4
SMILES:	OC(=O)c1oc(COc2ccc(F)c(Cl)c2)cc1
InChi:	InChI=1S/C12H8ClFO4/c13-9-5-7(1-3-10(9)14)17-6-8-2-4-11(18-8)12(15)16/h1-5H,6H2,(H,15,16)
Definition date:	2021-01-15
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	5-[(3-chloranyl-4-fluoranyl-phenoxy)methyl]furan-2-carboxylic acid

U0W

U0W
Name:	5-[(2,3-Dihydro-1H-inden-5-yloxy)methyl]-2-furoic acid
Formula:	C15 H14 O4
SMILES:	OC(=O)c1oc(COc2ccc3CCCc3c2)cc1
InChi:	InChI=1S/C15H14O4/c16-15(17)14-7-6-13(19-14)9-18-12-5-4-10-2-1-3-11(10)8-12/h4-8H,1-3,9H2,(H,16,17)
Synonyms:	5-(2,3-dihydro-1~{H}-inden-5-yloxymethyl)furan-2-carboxylic acid
Definition date:	2021-01-16
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	5-(2,3-dihydro-1~{H}-inden-5-yloxymethyl)furan-2-carboxylic acid

U1E

U1E
Name:	~{N}1,~{N}1,~{N}8,~{N}8-tetramethylnaphthalene-1,8-diamine
Formula:	C14 H18 N2
SMILES:	CN(C)c1cccc2cccc(N(C)C)c12
InChi:	InChI=1S/C14H18N2/c1-15(2)12-9-5-7-11-8-6-10-13(14(11)12)16(3)4/h5-10H,1-4H3
Definition date:	2021-01-18
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	~{N}1,~{N}1,~{N}8,~{N}8-tetramethylnaphthalene-1,8-diamine

U1Z

U1Z
Name:	4-[5-(1-methylpyrazol-4-yl)-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]benzenecarbonitrile
Formula:	C20 H19 N7
SMILES:	Cn1cc(CCn2cnc(c3cnn(C)c3)c2c4ccc(cc4)C#N)cn1
InChi:	InChI=1S/C20H19N7/c1-25-12-16(10-23-25)7-8-27-14-22-19(18-11-24-26(2)13-18)20(27)17-5-3-15(9-21)4-6-17/h3-6,10-14H,7-8H2,1-2H3
Synonyms:	BAZ2-ICR
Definition date:	2021-01-18
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	4-[5-(1-methylpyrazol-4-yl)-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]benzenecarbonitrile

U2E

U2E
Name:	methyl 5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]-2-(2-piperazin-1-ylethoxy)benzoate
Formula:	C25 H31 N3 O6
SMILES:	CCOc1ccc(cc1NC(=O)c2ccc(OCCN3CCNCC3)c(c2)C(=O)OC)C(C)=O
InChi:	InChI=1S/C25H31N3O6/c1-4-33-23-8-5-18(17(2)29)16-21(23)27-24(30)19-6-7-22(20(15-19)25(31)32-3)34-14-13-28-11-9-26-10-12-28/h5-8,15-16,26H,4,9-14H2,1-3H3,(H,27,30)
Definition date:	2021-01-19
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	methyl 5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]-2-(2-piperazin-1-ylethoxy)benzoate

U2K

U2K
Name:	1-[3-(6-Methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)indol-1-yl]ethanone
Formula:	C16 H15 N3 O2
SMILES:	CC(=O)n1cc(c2ccccc12)c3c(C)nn4CCOc34
InChi:	InChI=1S/C16H15N3O2/c1-10-15(16-19(17-10)7-8-21-16)13-9-18(11(2)20)14-6-4-3-5-12(13)14/h3-6,9H,7-8H2,1-2H3
Definition date:	2021-01-19
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	1-[3-(6-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)indol-1-yl]ethanone

U2Q

U2Q
Name:	2-[(3-Nitro-2-pyridyl)thio]acetic acid
Formula:	C7 H6 N2 O4 S
SMILES:	OC(=O)CSc1ncccc1[N+]([O-])=O
InChi:	InChI=1S/C7H6N2O4S/c10-6(11)4-14-7-5(9(12)13)2-1-3-8-7/h1-3H,4H2,(H,10,11)
Synonyms:	2-[3-[bis(oxidanyl)amino]pyridin-2-yl]sulfanylethanoic acid
Definition date:	2021-01-19
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	2-(3-nitropyridin-2-yl)sulfanylethanoic acid

U2T

U2T
Name:	3-(4-~{tert}-butylphenyl)-1,2,4-oxadiazole-5-carbohydrazide
Formula:	C13 H16 N4 O2
SMILES:	CC(C)(C)c1ccc(cc1)c2noc(n2)C(=O)NN
InChi:	InChI=1S/C13H16N4O2/c1-13(2,3)9-6-4-8(5-7-9)10-15-12(19-17-10)11(18)16-14/h4-7H,14H2,1-3H3,(H,16,18)
Definition date:	2021-01-19
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	3-(4-~{tert}-butylphenyl)-1,2,4-oxadiazole-5-carbohydrazide

U35

U35
Name:	(2~{S})-3-methyl-2-[pentanoyl-[[4-[2-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid
Formula:	C24 H29 N5 O3
SMILES:	CCCCC(=O)N(Cc1ccc(cc1)c2ccccc2c3n[nH]nn3)[CH](C(C)C)C(O)=O
InChi:	InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1
Synonyms:	(2~{S})-3-methyl-2-[pentanoyl-[[4-[2-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid
Definition date:	2021-01-19
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	(2~{S})-3-methyl-2-[pentanoyl-[[4-[2-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid

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

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