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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

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

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

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

ZKS

ZKS
Name:	(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate
Formula:	C6 H19 O27 P7
SMILES:	O=P(O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)OP(=O)(O)O
InChi:	InChI=1S/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6-/m1/s1
Definition date:	2021-05-03
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate

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

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

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

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

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

VQA

VQA
Name:	10-[(3aR,6R,6aR)-6-hydroxy-3-phenyl-3a-(1-phenylethenyl)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid
Formula:	C32 H40 O3
SMILES:	c4ccc(C(=C)/C31C(CC(CCCCCCCCCC(O)=O)=C1c2ccccc2)C(O)CC3)cc4
InChi:	InChI=1S/C32H40O3/c1-24(25-15-10-7-11-16-25)32-22-21-29(33)28(32)23-27(31(32)26-17-12-8-13-18-26)19-9-5-3-2-4-6-14-20-30(34)35/h7-8,10-13,15-18,28-29,33H,1-6,9,14,19-23H2,(H,34,35)/t28-,29+,32-/m0/s1
Definition date:	2020-09-08
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	10-[(3aR,6R,6aR)-6-hydroxy-3-phenyl-3a-(1-phenylethenyl)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid

U2W

U2W
Name:	4,5-bis(chloranyl)-3-nitro-1~{H}-pyridazin-6-one
Formula:	C4 H Cl2 N3 O3
SMILES:	ClC1=C(Cl)C(=NNC1=O)[N](=O)=O
InChi:	InChI=1S/C4HCl2N3O3/c5-1-2(6)4(10)8-7-3(1)9(11)12/h(H,8,10)
Definition date:	2021-01-19
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	4,5-bis(chloranyl)-3-nitro-1~{H}-pyridazin-6-one

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

VQY

VQY
Name:	9-[(3~{a}~{R},6~{R},6~{a}~{R})-6-oxidanyl-3-phenyl-3~{a}-(1-phenylethenyl)-4,5,6,6~{a}-tetrahydro-1~{H}-pentalen-2-yl]nonyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate
Formula:	C36 H53 N O5 P
SMILES:	c4ccc(C(/C31C(CC(=C1c2ccccc2)CCCCCCCCCOP(OCC[N+](C)(C)C)(=O)O)C(O)CC3)=C)cc4
InChi:	InChI=1S/C36H52NO5P/c1-29(30-18-13-10-14-19-30)36-24-23-34(38)33(36)28-32(35(36)31-20-15-11-16-21-31)22-12-8-6-5-7-9-17-26-41-43(39,40)42-27-25-37(2,3)4/h10-11,13-16,18-21,33-34,38H,1,5-9,12,17,22-28H2,2-4H3/p+1/t33-,34+,36-/m0/s1
Definition date:	2020-09-09
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	2-{[(S)-hydroxy({9-[(3aR,6R,6aR)-6-hydroxy-3-phenyl-3a-(1-phenylethenyl)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]nonyl}oxy)phosphoryl]oxy}-N,N,N-trimethylethan-1-aminium

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

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

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

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

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

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

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

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