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A1AIU

A1AIU
Name:	1-([1,1'-biphenyl]-4-yl)-2-(2H-tetrazol-5-yl)ethan-1-one
Formula:	C15 H12 N4 O
SMILES:	O=C(Cc1n[NH]nn1)c1ccc(cc1)c1ccccc1
InChi:	InChI=1S/C15H12N4O/c20-14(10-15-16-18-19-17-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17,18,19)
Definition date:	2024-03-25
Last modified:	2025-08-22
Release date:	2025-08-27
Identifier:	1-([1,1'-biphenyl]-4-yl)-2-(2H-tetrazol-5-yl)ethan-1-one

A1AIZ

A1AIZ
Name:	(1r,4r)-N-[4-(4-{[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]oxy}phenoxy)butyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
Formula:	C32 H32 F3 N O5 S
SMILES:	FC(F)(F)C1CCC(CC1)C(=O)NCCCCOc1ccc(cc1)Oc1c2ccc(O)cc2sc1c1ccc(O)cc1
InChi:	InChI=1S/C32H32F3NO5S/c33-32(34,35)22-7-3-21(4-8-22)31(39)36-17-1-2-18-40-25-12-14-26(15-13-25)41-29-27-16-11-24(38)19-28(27)42-30(29)20-5-9-23(37)10-6-20/h5-6,9-16,19,21-22,37-38H,1-4,7-8,17-18H2,(H,36,39)/t21-,22-
Definition date:	2024-03-27
Last modified:	2025-08-22
Release date:	2025-08-27
Identifier:	(1r,4r)-N-[4-(4-{[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]oxy}phenoxy)butyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide

A1APB

A1APB
Name:	2-O-sulfo-beta-D-galactopyranose
Formula:	C6 H12 O9 S
SMILES:	OC1OC(CO)C(O)C(O)C1OS(=O)(=O)O
InChi:	InChI=1S/C6H12O9S/c7-1-2-3(8)4(9)5(6(10)14-2)15-16(11,12)13/h2-10H,1H2,(H,11,12,13)/t2-,3+,4+,5-,6-/m1/s1
Definition date:	2024-04-20
Last modified:	2025-08-22
Release date:	2025-08-27
Identifier:	2-O-sulfo-beta-D-galactopyranose

A1AQZ

A1AQZ
Name:	(5aS,6S,7S)-3,7-dihydroxy-6-methoxy-1,4,6,9-tetramethyl-6,7-dihydrodibenzo[b,f][1,4]oxazepine-8,11(5aH,10H)-dione
Formula:	C18 H21 N O6
SMILES:	Cc1cc(O)c(C)c2OC3C(NC(=O)c12)=C(C)C(=O)C(O)C3(C)OC
InChi:	InChI=1S/C18H21NO6/c1-7-6-10(20)8(2)14-11(7)17(23)19-12-9(3)13(21)15(22)18(4,24-5)16(12)25-14/h6,15-16,20,22H,1-5H3,(H,19,23)/t15-,16+,18+/m1/s1
Synonyms:	XC208
Definition date:	2024-05-08
Last modified:	2025-08-22
Release date:	2025-08-27
Identifier:	(5aS,6S,7S)-3,7-dihydroxy-6-methoxy-1,4,6,9-tetramethyl-6,7-dihydrodibenzo[b,f][1,4]oxazepine-8,11(5aH,10H)-dione

QCF

QCF
Name:	3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one
Formula:	C9 H13 N O S
SMILES:	CN(C)CCC(=O)c1sccc1
InChi:	InChI=1S/C9H13NOS/c1-10(2)6-5-8(11)9-4-3-7-12-9/h3-4,7H,5-6H2,1-2H3
Synonyms:	AAEK1
Definition date:	2024-01-22
Last modified:	2025-08-22
Release date:	2025-08-27
Identifier:	3-(dimethylamino)-1-thiophen-2-yl-propan-1-one

A1BNQ

A1BNQ
Name:	acetoacetyl group
Formula:	C4 H6 O2
SMILES:	CC(=O)CC=O
InChi:	InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3
Definition date:	2025-01-07
Last modified:	2025-08-22
Release date:	2025-08-27
Identifier:	3-oxobutanal

A1ED4

A1ED4
Name:	3H-benzimidazol-5-ylmethanol
Formula:	C8 H8 N2 O
SMILES:	OCc1ccc2nc[nH]c2c1
InChi:	InChI=1S/C8H8N2O/c11-4-6-1-2-7-8(3-6)10-5-9-7/h1-3,5,11H,4H2,(H,9,10)
Synonyms:	1H-benzimidazol-5-ylmethanol
Definition date:	2024-10-17
Last modified:	2025-08-22
Release date:	2025-08-27
Identifier:	3~{H}-benzimidazol-5-ylmethanol

A1ED7

A1ED7
Name:	1,3,4-thiadiazol-2-amine
Formula:	C2 H3 N3 S
SMILES:	Nc1scnn1
InChi:	InChI=1S/C2H3N3S/c3-2-5-4-1-6-2/h1H,(H2,3,5)
Synonyms:	Aminothiadiazole
Definition date:	2024-10-18
Last modified:	2025-08-22
Release date:	2025-08-27
Identifier:	1,3,4-thiadiazol-2-amine

A1ED8

A1ED8
Name:	2-(4-hydroxyphenyl)ethanamide
Formula:	C8 H9 N O2
SMILES:	NC(=O)Cc1ccc(O)cc1
InChi:	InChI=1S/C8H9NO2/c9-8(11)5-6-1-3-7(10)4-2-6/h1-4,10H,5H2,(H2,9,11)
Synonyms:	4-Hydroxyphenylacetamide
Definition date:	2024-10-18
Last modified:	2025-08-22
Release date:	2025-08-27
Identifier:	2-(4-hydroxyphenyl)ethanamide

A1ED9

A1ED9
Name:	1-(1H-pyrrol-3-yl)ethanone
Formula:	C6 H7 N O
SMILES:	CC(=O)c1c[nH]cc1
InChi:	InChI=1S/C6H7NO/c1-5(8)6-2-3-7-4-6/h2-4,7H,1H3
Synonyms:	3-Acetylpyrrole
Definition date:	2024-10-18
Last modified:	2025-08-22
Release date:	2025-08-27
Identifier:	1-(1~{H}-pyrrol-3-yl)ethanone

A1EDY

A1EDY
Name:	2-(4-aminophenyl)ethanoic acid
Formula:	C8 H9 N O2
SMILES:	Nc1ccc(CC(O)=O)cc1
InChi:	InChI=1S/C8H9NO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5,9H2,(H,10,11)
Synonyms:	4-Aminophenylacetic acid
Definition date:	2024-10-17
Last modified:	2025-08-22
Release date:	2025-08-27
Identifier:	2-(4-aminophenyl)ethanoic acid

A1EDZ

A1EDZ
Name:	4-oxidanylidene-4-thiophen-2-yl-butanoic acid
Formula:	C8 H8 O3 S
SMILES:	OC(=O)CCC(=O)c1sccc1
InChi:	InChI=1S/C8H8O3S/c9-6(3-4-8(10)11)7-2-1-5-12-7/h1-2,5H,3-4H2,(H,10,11)
Synonyms:	3-(2-Thenoyl)propionic acid
Definition date:	2024-10-17
Last modified:	2025-08-22
Release date:	2025-08-27
Identifier:	4-oxidanylidene-4-thiophen-2-yl-butanoic acid

A1EEA

A1EEA
Name:	1,3-dimethylimidazolidin-2-one
Formula:	C5 H10 N2 O
SMILES:	CN1CCN(C)C1=O
InChi:	InChI=1S/C5H10N2O/c1-6-3-4-7(2)5(6)8/h3-4H2,1-2H3
Synonyms:	1,3-Dimethyl-2-imidazolidinone
Definition date:	2024-10-18
Last modified:	2025-08-22
Release date:	2025-08-27
Identifier:	1,3-dimethylimidazolidin-2-one

A1EFA

A1EFA
Name:	6-Quinolinylmethanol
Formula:	C10 H9 N O
SMILES:	OCc1ccc2ncccc2c1
InChi:	InChI=1S/C10H9NO/c12-7-8-3-4-10-9(6-8)2-1-5-11-10/h1-6,12H,7H2
Definition date:	2024-11-08
Last modified:	2025-08-22
Release date:	2025-08-27
Identifier:	quinolin-6-ylmethanol

A1EFB

A1EFB
Name:	3-(4-methylpiperazin-1-yl)aniline
Formula:	C11 H17 N3
SMILES:	CN1CCN(CC1)c2cccc(N)c2
InChi:	InChI=1S/C11H17N3/c1-13-5-7-14(8-6-13)11-4-2-3-10(12)9-11/h2-4,9H,5-8,12H2,1H3
Synonyms:	148546-99-0
Definition date:	2024-11-08
Last modified:	2025-08-22
Release date:	2025-08-27
Identifier:	3-(4-methylpiperazin-1-yl)aniline

A1EFE

A1EFE
Name:	2,1,3-benzothiadiazol-5-ylmethanol
Formula:	C7 H6 N2 O S
SMILES:	OCc1ccc2nsnc2c1
InChi:	InChI=1S/C7H6N2OS/c10-4-5-1-2-6-7(3-5)9-11-8-6/h1-3,10H,4H2
Synonyms:	89795-51-7
Definition date:	2024-11-08
Last modified:	2025-08-22
Release date:	2025-08-27
Identifier:	2,1,3-benzothiadiazol-5-ylmethanol

A1EFF

A1EFF
Name:	(2,5-dimethylpyrazol-3-yl)methanol
Formula:	C6 H10 N2 O
SMILES:	Cn1nc(C)cc1CO
InChi:	InChI=1S/C6H10N2O/c1-5-3-6(4-9)8(2)7-5/h3,9H,4H2,1-2H3
Synonyms:	57012-20-1
Definition date:	2024-11-08
Last modified:	2025-08-22
Release date:	2025-08-27
Identifier:	(2,5-dimethylpyrazol-3-yl)methanol

A1EHQ

A1EHQ
Name:	2-phenoxyethanamine
Formula:	C8 H11 N O
SMILES:	NCCOc1ccccc1
InChi:	InChI=1S/C8H11NO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7,9H2
Definition date:	2024-12-11
Last modified:	2025-08-22
Release date:	2025-08-27
Identifier:	2-phenoxyethanamine

A1EHR

A1EHR
Name:	5-methyl-1,2-oxazole-3-carbohydrazide
Formula:	C5 H7 N3 O2
SMILES:	Cc1onc(c1)C(=O)NN
InChi:	InChI=1S/C5H7N3O2/c1-3-2-4(8-10-3)5(9)7-6/h2H,6H2,1H3,(H,7,9)
Definition date:	2024-12-11
Last modified:	2025-08-22
Release date:	2025-08-27
Identifier:	5-methyl-1,2-oxazole-3-carbohydrazide

A1EHY

A1EHY
Name:	2-(2-methylimidazol-1-yl)aniline
Formula:	C10 H11 N3
SMILES:	Cc1nccn1c2ccccc2N
InChi:	InChI=1S/C10H11N3/c1-8-12-6-7-13(8)10-5-3-2-4-9(10)11/h2-7H,11H2,1H3
Definition date:	2024-12-15
Last modified:	2025-08-22
Release date:	2025-08-27
Identifier:	2-(2-methylimidazol-1-yl)aniline

A1ERZ

A1ERZ
Name:	(1~{S})-1-(1~{H}-benzimidazol-2-yl)ethanol
Formula:	C9 H10 N2 O
SMILES:	C[CH](O)c1[nH]c2ccccc2n1
InChi:	InChI=1S/C9H10N2O/c1-6(12)9-10-7-4-2-3-5-8(7)11-9/h2-6,12H,1H3,(H,10,11)/t6-/m0/s1
Definition date:	2025-06-16
Last modified:	2025-08-22
Release date:	2025-08-27
Identifier:	(1~{S})-1-(1~{H}-benzimidazol-2-yl)ethanol

A1EVL

A1EVL
Name:	(3S,11R)-tetracyclo[6.3.0.02,6.05,9]undecane-3,11-diol
Formula:	C11 H16 O2
SMILES:	O[CH]1C[CH]2[CH]3C[CH](O)[CH]4[CH]3C[CH]2[CH]14
InChi:	InChI=1S/C11H16O2/c12-8-2-4-5-3-9(13)11-7(5)1-6(4)10(8)11/h4-13H,1-3H2/t4-,5+,6+,7-,8-,9+,10+,11-
Definition date:	2025-08-13
Last modified:	2025-08-22
Release date:	2025-08-27

A1I4T

A1I4T
Name:	Deoxynivalenol-13-cysteine
Formula:	C18 H27 N O8 S
SMILES:	CC1=C[CH]2O[CH]3[CH](O)C[C](C)([C]3(O)CSC[CH](N)C(O)=O)[C]24CO[C]1(O)[CH]4O
InChi:	InChI=1S/C18H27NO8S/c1-8-3-11-16(6-26-18(8,25)14(16)23)15(2)4-10(20)12(27-11)17(15,24)7-28-5-9(19)13(21)22/h3,9-12,14,20,23-25H,4-7,19H2,1-2H3,(H,21,22)/t9-,10+,11+,12+,14-,15+,16+,17-,18+/m0/s1
Definition date:	2025-02-26
Last modified:	2025-08-22
Release date:	2025-08-27

A1I4U

A1I4U
Name:	Deoxynivalenol-13-glutathione
Formula:	C25 H37 N3 O12 S
SMILES:	CC1=C[CH]2O[CH]3[CH](O)C[C](C)([C]3(O)CSC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O)[C]24CO[C]1(O)[CH]4O
InChi:	InChI=1S/C25H37N3O12S/c1-11-5-15-23(9-39-25(11,38)21(23)36)22(2)6-14(29)18(40-15)24(22,37)10-41-8-13(19(33)27-7-17(31)32)28-16(30)4-3-12(26)20(34)35/h5,12-15,18,21,29,36-38H,3-4,6-10,26H2,1-2H3,(H,27,33)(H,28,30)(H,31,32)(H,34,35)/t12-,13-,14+,15+,18+,21-,22+,23+,24-,25+/m0/s1
Definition date:	2025-02-26
Last modified:	2025-08-22
Release date:	2025-08-27

A1I5T

A1I5T
Name:	~{N}-methyl-~{N}-[(1~{R})-1-pyridin-2-yl-3-pyrrolidin-1-yl-propyl]-5-[4,5,6,7-tetrakis(fluoranyl)-1~{H}-indol-3-yl]-1,3,4-oxadiazol-2-amine
Formula:	C23 H22 F4 N6 O
SMILES:	CN([CH](CCN1CCCC1)c2ccccn2)c3oc(nn3)c4c[nH]c5c(F)c(F)c(F)c(F)c45
InChi:	InChI=1S/C23H22F4N6O/c1-32(15(14-6-2-3-8-28-14)7-11-33-9-4-5-10-33)23-31-30-22(34-23)13-12-29-21-16(13)17(24)18(25)19(26)20(21)27/h2-3,6,8,12,15,29H,4-5,7,9-11H2,1H3/t15-/m1/s1
Definition date:	2025-03-11
Last modified:	2025-08-22
Release date:	2025-08-27
Identifier:	~{N}-methyl-~{N}-[(1~{R})-1-pyridin-2-yl-3-pyrrolidin-1-yl-propyl]-5-[4,5,6,7-tetrakis(fluoranyl)-1~{H}-indol-3-yl]-1,3,4-oxadiazol-2-amine

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數據於2025-10-15公開中

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