RichardZhu52/TestFiles2 · Datasets at Hugging Face

DrugBank ID stringlengths 7 7	Accession Numbers stringlengths 7 102 ⌀	Common name stringlengths 3 226	CAS stringlengths 7 12 ⌀	UNII stringlengths 10 10 ⌀	Synonyms stringlengths 2 1.48k ⌀	Standard InChI Key stringlengths 27 27 ⌀
DB02647	EXPT02278	N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)Benzamide	null	null	null	LUCORKWTQSQFFU-UHFFFAOYSA-N
DB02648	EXPT00038	(3-Carboxy-2-(R)-Hydroxy-Propyl)-Trimethyl-Ammonium	461-06-3	null	null	PHIQHXFUZVPYII-ZCFIWIBFSA-O
DB02649	EXPT02184	3-Amino-3-Oxopropanoic Acid	2345-56-4	30H7L7X07N	null	CGJMROBVSBIBKP-UHFFFAOYSA-N
DB02650	EXPT00949	Trichloroacetaldehyde	75-87-6	FLI06WS32H	2,2,2-trichloroacetaldehyde \| Anhydrous chloral \| Chloral \| Tri-chloro-acetaldehyde \| Trichloroacetaldehyd \| Trichloroethanal	HFFLGKNGCAIQMO-UHFFFAOYSA-N
DB02651	EXPT02473	{[2-(1h-1,2,3-Benzotriazol-1-Yl)-2-(3,4-Difluorophenyl)Propane-1,3-Diyl]Bis[4,1-Phenylene(Difluoromethylene)]}Bis(Phosphonic Acid)	null	null	null	BTAGTGWPDROBMG-UHFFFAOYSA-N
DB02652	EXPT02026	L-[(N-Hydroxyamino)Carbonyl]Phenylalanine	null	null	null	IOFPEOPOAMOMBE-QMMMGPOBSA-N
DB02654	EXPT00285	6-hydroxy-FAD	52301-43-6	null	6-HO-FAD \| 6-hydroxy-flavin-adenine dinucleotide \| 6-hydroxyflavin-adenine dinucleotide \| 6-hydroxyflavine-adenine dinucleotide	BJSUUWFQAMLNKU-OKXKTURISA-N
DB02655	EXPT01114	D-Aspartic Acid	1783-96-6	4SR0Q8YD1X	null	CKLJMWTZIZZHCS-UWTATZPHSA-N
DB02656	EXPT02073	LY-294002	154447-36-6	31M2U1DVID	2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one	CZQHHVNHHHRRDU-UHFFFAOYSA-N
DB02657	EXPT01610	Glucosamine 6-Phosphate	3616-42-0	Y5ANY8MJ8J	null	XHMJOUIAFHJHBW-UKFBFLRUSA-N
DB02658	EXPT02330	2,4-Dinitrophenyl 2-Deoxy-2-Fluoro-Beta-D-Allopyranoside	null	null	null	UFSBFVZQJZMIOU-LZQZFOIKSA-N
DB02659	EXPT00906	Cholic Acid	81-25-4	G1JO7801AE	Cholic Acid	BHQCQFFYRZLCQQ-OELDTZBJSA-N
DB02660	EXPT01434	Filaminast	141184-34-1	CDD69JC61J	Filaminast	STTRYQAGHGJXJJ-LICLKQGHSA-N
DB02661	EXPT00592	Adenosine-5'-diphosphate-2',3'-vanadate	null	null	null	WUULDHXBMSNFAO-YVAIFPRKSA-N
DB02662	EXPT00329	Novo Nordisk a/S Compound	null	null	null	SHSWHSQPJKMCPN-UHFFFAOYSA-N
DB02663	EXPT02645	2-Amino-4-(Hydroxymethyl-Phosphinyl)Butanoic Acid	51276-47-2	M758GI0FEX	null	IAJOBQBIJHVGMQ-SCSAIBSYSA-N
DB02664	EXPT00775	1-Butane Boronic Acid	null	null	null	QPKFVRWIISEVCW-UHFFFAOYSA-N
DB02665	EXPT03088	(1R,2S)-2-Phenylcyclopropanaminium	1986-47-6	7H4CZX4FYH	(1R,2S)-tranylcypromine(1+)	AELCINSCMGFISI-DTWKUNHWSA-O
DB02666	EXPT02810	(C8-R)-hydantocidin 5'-phosphate	null	null	null	MAXSFYCTFIBEAR-OJMIUMIFSA-N
DB02667	EXPT00608	Vitamin B 12 factor IIIm	15713-12-9	null	5-Methoxybenzimidazole vitamin B12 \| 5-Methoxybenzimidazolylcobalamin \| Cyano-5-methoxybenzimidazolylcobamide \| Vitamin B 12 factor IIIm	CJVUSTVYODMZMZ-VSTXFNHGSA-N
DB02668	EXPT01956	JE-2147	186538-00-1	null	null	CUFQBQOBLVLKRF-RZDMPUFOSA-N
DB02669	EXPT03062	RB106	null	null	null	ZWDQTNWLXALTOV-QYZOEREBSA-N
DB02670	EXPT01533	4-Deoxy-Alpha-D-Glucose	null	null	null	HDEMQQHXNOJATE-AZGQCCRYSA-N
DB02671	EXPT00077	1-Methylimidazole	616-47-7	P4617QS63Y	null	MCTWTZJPVLRJOU-UHFFFAOYSA-O
DB02673	EXPT01601	(4aS,6R,8aS)-11-[8-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)octyl]-6-hydroxy-3-methoxy-5,6,9,10-tetrahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11-ium	null	null	null	VLGAHTYYCHWLNI-BHRZLAGCSA-N
DB02674	EXPT02932	4-(2-Oxo-Hexahydro-Thieno[3,4-D]Imidazol-4-Yl)-Butyricacid	null	null	null	AINAXQHKYSZESH-HAFWLYHUSA-N
DB02675	EXPT02905	(4-Hydroxymaltosephenyl)Glycine	null	null	null	PHPOPZGUOBMSPZ-QHJSCRBTSA-N
DB02676	EXPT00612	2-[3-(2-Hydroxy-1,1-Dihydroxymethyl-Ethylamino)-Propylamino]-2-Hydroxymethyl-Propane-1,3-Diol	null	N5YD0CS4DO	null	HHKZCCWKTZRCCL-UHFFFAOYSA-N
DB02677	EXPT02852	D-naphthyl-1-acetamido boronic acid alanine	null	null	null	KJSNEFAXFLDDDR-JKSUJKDBSA-N
DB02678	EXPT00074	beta-D-Galactosamine	14196-86-2	K8YZM765ZS	2-amino-2-deoxy-beta-D-galactopyranose \| 2-amino-2-deoxy-β-D-galactopyranose \| 2-deoxy-2-aminogalactose \| β-D-galactosamine \| β-galactosylamine	MSWZFWKMSRAUBD-VFUOTHLCSA-N
DB02679	EXPT00971	Cyanamide	420-04-2	21CP7826LC	Cyanamide	XZMCDFZZKTWFGF-UHFFFAOYSA-N
DB02680	EXPT02350	1,3-Dinitrobenzene	99-65-0	DK8B627BU0	1,3-dinitro-benzene \| 2,4-Dinitrobenzene \| m-Dinitrobenzene \| m-DNB \| meta-Dinitrobenzene	WDCYWAQPCXBPJA-UHFFFAOYSA-N
DB02681	EXPT03214	2,8-bis[oxido(oxo)vanadio]-1,1,1,3,5,5,7,7,9,9,9-undecaoxopentavanadoxane-2,8-diium	null	null	null	ONZDNYIINYVFKD-UHFFFAOYSA-N
DB02683	EXPT00666	Inhibitor Bea428	null	null	null	FOBRXMROTNVGST-CXPJILFNSA-N
DB02684	EXPT00241	5'-O-(L-Cysteinylsulfamoyl)adenosine	null	null	5'-O-(N-(L-Cysteinyl)-sulfamoyl)adenosine	FTSDEWPMACCNGN-YTMOPEAISA-N
DB02685	EXPT00540	3-Methylphenylalanine	null	Y3C5V2444R	null	JZRBSTONIYRNRI-VIFPVBQESA-N
DB02686	EXPT03188	Undecyl-Beta-D-Maltopyranoside	null	null	null	UYEMNFYVTFDKRG-ZNGNCRBCSA-N
DB02688	EXPT01186	2,3-Didehydroalanine	1948-56-7	98RA387EKY	null	UQBOJOOOTLPNST-UHFFFAOYSA-N
DB02689	EXPT02875	S-{2-[Amino(Dihydroxy)-Lambda~4~-Sulfanyl]Ethyl}-D-Cysteine	null	null	null	ZRCBQBJBRHIRRG-BYPYZUCNSA-N
DB02690	EXPT02396	NU1025	90417-38-2	X5ZL2C7V9B	null	YJDAOHJWLUNFLX-UHFFFAOYSA-N
DB02691	EXPT01558	Glycocholic acid	475-31-0	G59NX3I3RT	N-choloylglycine	RFDAIACWWDREDC-FRVQLJSFSA-M
DB02693	EXPT01093	(4S,5S)-1,2-dithiane-4,5-diol	null	8T052MD8AP	oxidized dithiothreitol	YPGMOWHXEQDBBV-QWWZWVQMSA-N
DB02694	EXPT02493	Pantoyl Adenylate	null	null	null	GDPVENOGSVMRJL-FSRKKXLISA-N
DB02695	EXPT02444	O1-Pentyl-Mannose	null	null	null	RYIWDDCNJPSPRA-UVOCVTCTSA-N
DB02696	EXPT03171	6-Aminohexyl-uridine-C1,5'-diphosphate	40248-31-5	null	null	MLWJBKPFDKRHBM-FMKGYKFTSA-N
DB02697	EXPT01693	Hydroxyaminovaline	null	null	null	USSBBYRBOWZYSB-SCSAIBSYSA-N
DB02698	EXPT00744	N-(M-Trifluoromethylphenyl) Phenoxazine-4,6-Dicarboxylic Acid	null	null	null	NQOOJFXBGLOGTC-UHFFFAOYSA-N
DB02699	EXPT02464	4-Oxoretinol	62702-55-0	6FFM6M3NPT	null	PLIUCYCUYQIBDZ-RMWYGNQTSA-N
DB02700	EXPT01559	3-Deoxy-D-Glucosamine	null	null	null	SNDZDGQLFKEBLF-MOJAZDJTSA-N
DB02701	EXPT02307	Nicotinamide	98-92-0	25X51I8RD4	3-pyridinecarboxamide \| Niacinamide \| Nicotinamida \| Nicotinamide \| Nicotinamidum \| Nicotinic acid amide \| Nicotinic amide \| β-pyridinecarboxamide	DFPAKSUCGFBDDF-UHFFFAOYSA-N
DB02702	EXPT00267	XV638	183854-11-7	null	null	JDALSSGOBMTZEP-NWJWHWDBSA-N
DB02703	EXPT01507	Fusidic acid	6990-06-3	59XE10C19C	Acide fusidique \| Acido fusidico \| Acidum fusidicum \| Fucidate \| Fucidin acid \| Fusidate \| Fusidic acid \| Fusidine \| Ramycin	IECPWNUMDGFDKC-MZJAQBGESA-N
DB02704	EXPT00717	(2R,3R,4R,5R)-3,4-Dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,5-bis(2-phenylethyl)hexanediamide	null	null	Diol-Based HIV-1 protease inhibitor 4	GQKBYZPVKVXMJL-LAFNQVRVSA-N
DB02705	EXPT00148	6-[N-(1-Isopropyl-1,2,3,4-Tetrahydro-7-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine	null	null	null	DARQQJKHXPXSRO-QFIPXVFZSA-N
DB02706	EXPT02134	Mercaptocarboxylate Inhibitor	null	null	null	DUKDFMPUZRDWLT-CQSZACIVSA-N
DB02707	EXPT02472	Pentyl Trihydrogen Diphosphate	null	null	null	VFFCVKZHJFIUBM-UHFFFAOYSA-N
DB02709	EXPT02968 \| DB05073	Resveratrol	501-36-0	Q369O8926L	(E)-5-(2-(4-hydroxyphenyl)ethenyl)-1,3-benzenediol(E)-5-(2-(4-hydroxyphenyl)ethenyl)-1,3-benzenediol \| (E)-resveratrol \| 3,4',5-trihydroxy-trans-stilbene \| 3,4',5-trihydroxystilbene \| 3,5,4'-trihydroxystilbene \| 5-[(1E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol \| 5-[(E)-2-(4-Hydroxyphenyl)-Ethenyl] Benzene-1,3 Diol \|...	LUKBXSAWLPMMSZ-OWOJBTEDSA-N
DB02710	EXPT01126	2,3,-Dihydroxybenzoylserine	127658-43-9	null	null	VDTYHTVHFIIEIL-LURJTMIESA-N
DB02711	EXPT03117	4-{2,6,8-Trioxo-9-[(2S,3R,4R)-2,3,4,5-Tetrahydroxypentyl]-1,2,3,6,8,9-Hexahydro-7h-Purin-7-Yl}Butyl Dihydrogen Phosphate	null	null	null	VBXZSBKAJFXURR-QXFUBDJGSA-N
DB02712	EXPT03309	Sorbinil	68367-52-2	G4186B906P	Sorbinil \| sorbinilo \| Sorbinilum	LXANPKRCLVQAOG-NSHDSACASA-N
DB02713	EXPT00379	Acetylamino-Acetic Acid	543-24-8	U2UT4677KR	null	OKJIRPAQVSHGFK-UHFFFAOYSA-N
DB02714	EXPT03160	3'-Uridinemonophosphate	84-53-7	ZI74VYB8VZ	3'-UMP \| 3'-Uridylic acid \| Uridine 3'-monophosphate \| Uridine 3'-phosphate	FOGRQMPFHUHIGU-XVFCMESISA-N
DB02715	EXPT00473	Compound 18	31112-66-0	null	null	UZOOIPXOYYJULJ-RHLLTPQKSA-N
DB02716	EXPT02167	7-methyl-guanosine-5'-triphosphate	null	null	7-methyl-GTP(1+) \| 7-methylguanosine 5'-(tetrahydrogen triphosphate)	DKVRNHPCAOHRSI-KQYNXXCUSA-O
DB02717	EXPT01056	Cellotetraose	38819-01-1	null	null	LUEWUZLMQUOBSB-HGDSAIHNSA-N
DB02719	EXPT00842	C-(1-hydrogyl-beta-D-glucopyranosyl) formamide	361440-32-6	null	(2R,3R,4S,5S,6R)-2,3,4,5-Tetrahydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-carboxamide	DTZYCNDAJQDPQC-UHKLXPPTSA-N
DB02720	EXPT01605	alpha-D-glucopyranosyl-2-carboxylic acid amide	58825-13-1	null	null	UKWLGCFJAVEFPE-DVKNGEFBSA-N
DB02721	EXPT02726	4-Iodopyrazole	3469-69-0	F33UJD465Q	null	LLNQWPTUJJYTTE-UHFFFAOYSA-N
DB02722	EXPT01567	4-O-methyl-beta-D-glucuronic acid	null	null	null	WGLLPAPKWFDHHV-RLZVPWTLSA-N
DB02723	EXPT00716	4-Oxo-2-Phenylmethanesulfonyl-Octahydro-Pyrrolo[1,2-a]Pyrazine-6-Carboxylic Acid [1-(N-Hydroxycarbamimidoyl)-Piperidin-4-Ylmethyl]-Amide	null	null	null	DHTSUHWLPAEEQB-OALUTQOASA-N
DB02724	EXPT00495	Delta-2-Albomycin A1	null	null	null	RQZRKFJHRUDTLB-OOXACHQASA-N
DB02725	EXPT00424	2-Amino-4-(4-Amino-Cyclohexa-2,5-Dienyl)-Butyric Acid	null	null	null	LAJWZJCOWPUSOA-SMOXQLQSSA-N
DB02726	EXPT02567 \| DB02389	2-Phosphoglycolic Acid	13147-57-4	H8593JOP13	null	ASCFNMCAHFUBCO-UHFFFAOYSA-N
DB02727	EXPT00698	2-butyl-1-hydroxyguanidine	140215-98-1	null	N-butyl-N'-hydroxyguanidine	ULDDTFAPYWLDGF-UHFFFAOYSA-N
DB02728	EXPT03279	7-Hydroxy-2-Oxo-Chromene-3-Carboxylic Acid Ethyl Ester	null	X538NC636R	null	IETDBZQIWIJQJG-UHFFFAOYSA-N
DB02729	EXPT00032	SD146	183854-21-9	null	3,3'-{[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]bis(methylene)}bis[N-(1H-benzimidazol-2-yl)benzamide]	UWSVAGUSMAEUKO-QHQGJXSCSA-N
DB02730	EXPT02093	4-Methylthio-Alpha-D-Mannose	null	null	null	UYUQSQYXZFSOEM-GKHCUFPYSA-N
DB02731	EXPT01342	Ethylmercurithiosalicylic acid	148-61-8	4071N4J64W	[(o-carboxyphenyl)thio]ethylmercury \| 2-(ethylmercuri-thio)-benzoic acid \| 2-(ethylmercuriothio)benzoic acid	HXQVQGWHFRNKMS-UHFFFAOYSA-M
DB02732	EXPT02284	[(2R,3S,4R,5R)-5-(4-acetonyl-3-carbamoyl-pyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphate	null	null	Nicotinamide adenine dinucleotide acetone adduct	SGHBFOOIAAJJMI-YDKVLQLQSA-N
DB02733	EXPT02705	Purvalanol	null	null	null	ZKDXRFMOHZVXSG-HNNXBMFYSA-N
DB02734	EXPT02117	4-Deoxy-D-Mannuronic Acid	null	null	null	IAKKJSVSFCTLRY-NVFHJIOMSA-N
DB02735	EXPT00503	2-Amino-3-Oxo-4-Sulfo-Butyric Acid	null	null	null	MNJOBAOHZQQXIK-GPKNORDASA-N
DB02736	EXPT00414	Acetamide	60-35-5	8XOE1JSO29	null	DLFVBJFMPXGRIB-UHFFFAOYSA-N
DB02738	EXPT00244	Adenosine-5'-Pentaphosphate	null	null	null	WYJWVZZCMBUPSP-KQYNXXCUSA-N
DB02740	EXPT00173	3-Indolebutyric Acid	133-32-4	061SKE27JP	null	JTEDVYBZBROSJT-UHFFFAOYSA-N
DB02741	EXPT00233	CD564	null	null	null	RWYREGSYPCNZTL-UHFFFAOYSA-N
DB02742	EXPT01973	Kifunensine	109944-15-2	0NI8960271	null	OIURYJWYVIAOCW-PQMKYFCFSA-N
DB02743	EXPT00610	beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranose	null	null	4-O-β-D-galactopyranosyl-β-D-galactopyranose \| Galactobiose \| β-D-galactopyranosyl-(1→4)-β-D-galactopyranose \| β-D-Galp-(1→4)-β-D-Galp	GUBGYTABKSRVRQ-WWZHPTPQSA-N
DB02744	EXPT02653	RPR131247	null	null	null	PQJGWYQPOHCEDO-ZDUSSCGKSA-N
DB02745	EXPT03205	Uridine	58-96-8	WHI7HQ7H85	Uridina	DRTQHJPVMGBUCF-XVFCMESISA-N
DB02746	EXPT02595	Phthalic Acid	88-99-3	6O7F7IX66E	null	XNGIFLGASWRNHJ-UHFFFAOYSA-N
DB02747	EXPT01886	Diamino-N-[(4S)-5-anilino-4-{[(2S)-2-{[(1R)-1-carboxyethyl]amino}-4-phenylbutanoyl]amino}-5-oxopentyl]methaniminium	null	null	null	HDGWGGCPTVXRNA-QMMLZNLJSA-O
DB02749	EXPT02613	Pyromellitic Acid	89-05-4	D9UXG2U6ZU	null	CYIDZMCFTVVTJO-UHFFFAOYSA-N
DB02750	EXPT00956	S-(Methylmercury)-L-Cysteine	null	null	null	OMYFBIZVJYGJJA-YBBRRFGFSA-M
DB02751	EXPT02364	Glycocyamine	352-97-6	GO52O1A04E	Amidinoglycine \| Betacyamine \| Guanidineacetic acid \| Guanidoacetic acid \| Guanyl glycine \| N-(aminoiminomethyl)glycine \| N-amidinoglycine	BPMFZUMJYQTVII-UHFFFAOYSA-N
DB02752	EXPT03095	Tosyl-D-Proline	null	null	null	CGPHGPCHVUSFFA-LLVKDONJSA-N
DB02753	EXPT02929	Selenoinosine	40093-99-0	null	null	MXLAAGNIPFEHEI-KQYNXXCUSA-N
DB02754	EXPT02694	9-Butyl-8-(3,4,5-Trimethoxybenzyl)-9h-Purin-6-Amine	null	null	null	TUOSCZDRWRYPRS-UHFFFAOYSA-N
DB02755	EXPT02479	1-3 Sugar Ring of Pentamannosyl 6-Phosphate	null	null	null	HDQMHAJOIVYOIP-NAVBLJQLSA-N
DB02756	EXPT02722	Pyroquilon	57369-32-1	WS195Z0WJH	1,2,5,6-tetrahydropyrrolo[3,2,1-ij]quinolin-4-one	XRJLAOUDSILTFT-UHFFFAOYSA-N

DB02647

EXPT02278

N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)Benzamide

null

LUCORKWTQSQFFU-UHFFFAOYSA-N

DB02648

EXPT00038

(3-Carboxy-2-(R)-Hydroxy-Propyl)-Trimethyl-Ammonium

461-06-3

null

PHIQHXFUZVPYII-ZCFIWIBFSA-O

DB02649

EXPT02184

3-Amino-3-Oxopropanoic Acid

2345-56-4

30H7L7X07N

null

CGJMROBVSBIBKP-UHFFFAOYSA-N

DB02650

EXPT00949

Trichloroacetaldehyde

75-87-6

FLI06WS32H

HFFLGKNGCAIQMO-UHFFFAOYSA-N

DB02651

EXPT02473

{[2-(1h-1,2,3-Benzotriazol-1-Yl)-2-(3,4-Difluorophenyl)Propane-1,3-Diyl]Bis[4,1-Phenylene(Difluoromethylene)]}Bis(Phosphonic Acid)

null

BTAGTGWPDROBMG-UHFFFAOYSA-N

DB02652

EXPT02026

L-[(N-Hydroxyamino)Carbonyl]Phenylalanine

null

IOFPEOPOAMOMBE-QMMMGPOBSA-N

DB02654

EXPT00285

6-hydroxy-FAD

52301-43-6

null

6-HO-FAD | 6-hydroxy-flavin-adenine dinucleotide | 6-hydroxyflavin-adenine dinucleotide | 6-hydroxyflavine-adenine dinucleotide

BJSUUWFQAMLNKU-OKXKTURISA-N

DB02655

EXPT01114

D-Aspartic Acid

1783-96-6

4SR0Q8YD1X

null

CKLJMWTZIZZHCS-UWTATZPHSA-N

DB02656

EXPT02073

LY-294002

154447-36-6

31M2U1DVID

2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one

CZQHHVNHHHRRDU-UHFFFAOYSA-N

DB02657

EXPT01610

Glucosamine 6-Phosphate

3616-42-0

Y5ANY8MJ8J

null

XHMJOUIAFHJHBW-UKFBFLRUSA-N

DB02658

EXPT02330

2,4-Dinitrophenyl 2-Deoxy-2-Fluoro-Beta-D-Allopyranoside

null

UFSBFVZQJZMIOU-LZQZFOIKSA-N

DB02659

EXPT00906

Cholic Acid

81-25-4

G1JO7801AE

Cholic Acid

BHQCQFFYRZLCQQ-OELDTZBJSA-N

DB02660

EXPT01434

Filaminast

141184-34-1

CDD69JC61J

Filaminast

STTRYQAGHGJXJJ-LICLKQGHSA-N

DB02661

EXPT00592

Adenosine-5'-diphosphate-2',3'-vanadate

null

WUULDHXBMSNFAO-YVAIFPRKSA-N

DB02662

EXPT00329

Novo Nordisk a/S Compound

null

SHSWHSQPJKMCPN-UHFFFAOYSA-N

DB02663

EXPT02645

2-Amino-4-(Hydroxymethyl-Phosphinyl)Butanoic Acid

51276-47-2

M758GI0FEX

null

IAJOBQBIJHVGMQ-SCSAIBSYSA-N

DB02664

EXPT00775

1-Butane Boronic Acid

null

QPKFVRWIISEVCW-UHFFFAOYSA-N

DB02665

EXPT03088

(1R,2S)-2-Phenylcyclopropanaminium

1986-47-6

7H4CZX4FYH

(1R,2S)-tranylcypromine(1+)

AELCINSCMGFISI-DTWKUNHWSA-O

DB02666

EXPT02810

(C8-R)-hydantocidin 5'-phosphate

null

MAXSFYCTFIBEAR-OJMIUMIFSA-N

DB02667

EXPT00608

Vitamin B 12 factor IIIm

15713-12-9

null

5-Methoxybenzimidazole vitamin B12 | 5-Methoxybenzimidazolylcobalamin | Cyano-5-methoxybenzimidazolylcobamide | Vitamin B 12 factor IIIm

CJVUSTVYODMZMZ-VSTXFNHGSA-N

DB02668

EXPT01956

JE-2147

186538-00-1

null

CUFQBQOBLVLKRF-RZDMPUFOSA-N

DB02669

EXPT03062

RB106

null

ZWDQTNWLXALTOV-QYZOEREBSA-N

DB02670

EXPT01533

4-Deoxy-Alpha-D-Glucose

null

HDEMQQHXNOJATE-AZGQCCRYSA-N

DB02671

EXPT00077

1-Methylimidazole

616-47-7

P4617QS63Y

null

MCTWTZJPVLRJOU-UHFFFAOYSA-O

DB02673

EXPT01601

(4aS,6R,8aS)-11-[8-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)octyl]-6-hydroxy-3-methoxy-5,6,9,10-tetrahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11-ium

null

VLGAHTYYCHWLNI-BHRZLAGCSA-N

DB02674

EXPT02932

4-(2-Oxo-Hexahydro-Thieno[3,4-D]Imidazol-4-Yl)-Butyricacid

null

AINAXQHKYSZESH-HAFWLYHUSA-N

DB02675

EXPT02905

(4-Hydroxymaltosephenyl)Glycine

null

PHPOPZGUOBMSPZ-QHJSCRBTSA-N

DB02676

EXPT00612

2-[3-(2-Hydroxy-1,1-Dihydroxymethyl-Ethylamino)-Propylamino]-2-Hydroxymethyl-Propane-1,3-Diol

null

N5YD0CS4DO

null

HHKZCCWKTZRCCL-UHFFFAOYSA-N

DB02677

EXPT02852

D-naphthyl-1-acetamido boronic acid alanine

null

KJSNEFAXFLDDDR-JKSUJKDBSA-N

DB02678

EXPT00074

beta-D-Galactosamine

14196-86-2

K8YZM765ZS

2-amino-2-deoxy-beta-D-galactopyranose | 2-amino-2-deoxy-β-D-galactopyranose | 2-deoxy-2-aminogalactose | β-D-galactosamine | β-galactosylamine

MSWZFWKMSRAUBD-VFUOTHLCSA-N

DB02679

EXPT00971

Cyanamide

420-04-2

21CP7826LC

Cyanamide

XZMCDFZZKTWFGF-UHFFFAOYSA-N

DB02680

EXPT02350

1,3-Dinitrobenzene

99-65-0

DK8B627BU0

1,3-dinitro-benzene | 2,4-Dinitrobenzene | m-Dinitrobenzene | m-DNB | meta-Dinitrobenzene

WDCYWAQPCXBPJA-UHFFFAOYSA-N

DB02681

EXPT03214

2,8-bis[oxido(oxo)vanadio]-1,1,1,3,5,5,7,7,9,9,9-undecaoxopentavanadoxane-2,8-diium

null

ONZDNYIINYVFKD-UHFFFAOYSA-N

DB02683

EXPT00666

Inhibitor Bea428

null

FOBRXMROTNVGST-CXPJILFNSA-N

DB02684

EXPT00241

5'-O-(L-Cysteinylsulfamoyl)adenosine

null

5'-O-(N-(L-Cysteinyl)-sulfamoyl)adenosine

FTSDEWPMACCNGN-YTMOPEAISA-N

DB02685

EXPT00540

3-Methylphenylalanine

null

Y3C5V2444R

null

JZRBSTONIYRNRI-VIFPVBQESA-N

DB02686

EXPT03188

Undecyl-Beta-D-Maltopyranoside

null

UYEMNFYVTFDKRG-ZNGNCRBCSA-N

DB02688

EXPT01186

2,3-Didehydroalanine

1948-56-7

98RA387EKY

null

UQBOJOOOTLPNST-UHFFFAOYSA-N

DB02689

EXPT02875

S-{2-[Amino(Dihydroxy)-Lambda~4~-Sulfanyl]Ethyl}-D-Cysteine

null

ZRCBQBJBRHIRRG-BYPYZUCNSA-N

DB02690

EXPT02396

NU1025

90417-38-2

X5ZL2C7V9B

null

YJDAOHJWLUNFLX-UHFFFAOYSA-N

DB02691

EXPT01558

Glycocholic acid

475-31-0

G59NX3I3RT

N-choloylglycine

RFDAIACWWDREDC-FRVQLJSFSA-M

DB02693

EXPT01093

(4S,5S)-1,2-dithiane-4,5-diol

null

8T052MD8AP

oxidized dithiothreitol

YPGMOWHXEQDBBV-QWWZWVQMSA-N

DB02694

EXPT02493

Pantoyl Adenylate

null

GDPVENOGSVMRJL-FSRKKXLISA-N

DB02695

EXPT02444

O1-Pentyl-Mannose

null

RYIWDDCNJPSPRA-UVOCVTCTSA-N

DB02696

EXPT03171

6-Aminohexyl-uridine-C1,5'-diphosphate

40248-31-5

null

MLWJBKPFDKRHBM-FMKGYKFTSA-N

DB02697

EXPT01693

Hydroxyaminovaline

null

USSBBYRBOWZYSB-SCSAIBSYSA-N

DB02698

EXPT00744

N-(M-Trifluoromethylphenyl) Phenoxazine-4,6-Dicarboxylic Acid

null

NQOOJFXBGLOGTC-UHFFFAOYSA-N

DB02699

EXPT02464

4-Oxoretinol

62702-55-0

6FFM6M3NPT

null

PLIUCYCUYQIBDZ-RMWYGNQTSA-N

DB02700

EXPT01559

3-Deoxy-D-Glucosamine

null

SNDZDGQLFKEBLF-MOJAZDJTSA-N

DB02701

EXPT02307

Nicotinamide

98-92-0

25X51I8RD4

DFPAKSUCGFBDDF-UHFFFAOYSA-N

DB02702

EXPT00267

XV638

183854-11-7

null

JDALSSGOBMTZEP-NWJWHWDBSA-N

DB02703

EXPT01507

Fusidic acid

6990-06-3

59XE10C19C

IECPWNUMDGFDKC-MZJAQBGESA-N

DB02704

EXPT00717

(2R,3R,4R,5R)-3,4-Dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,5-bis(2-phenylethyl)hexanediamide

null

Diol-Based HIV-1 protease inhibitor 4

GQKBYZPVKVXMJL-LAFNQVRVSA-N

DB02705

EXPT00148

6-[N-(1-Isopropyl-1,2,3,4-Tetrahydro-7-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine

null

DARQQJKHXPXSRO-QFIPXVFZSA-N

DB02706

EXPT02134

Mercaptocarboxylate Inhibitor

null

DUKDFMPUZRDWLT-CQSZACIVSA-N

DB02707

EXPT02472

Pentyl Trihydrogen Diphosphate

null

VFFCVKZHJFIUBM-UHFFFAOYSA-N

DB02709

EXPT02968 | DB05073

Resveratrol

501-36-0

Q369O8926L

LUKBXSAWLPMMSZ-OWOJBTEDSA-N

DB02710

EXPT01126

2,3,-Dihydroxybenzoylserine

127658-43-9

null

VDTYHTVHFIIEIL-LURJTMIESA-N

DB02711

EXPT03117

4-{2,6,8-Trioxo-9-[(2S,3R,4R)-2,3,4,5-Tetrahydroxypentyl]-1,2,3,6,8,9-Hexahydro-7h-Purin-7-Yl}Butyl Dihydrogen Phosphate

null

VBXZSBKAJFXURR-QXFUBDJGSA-N

DB02712

EXPT03309

Sorbinil

68367-52-2

G4186B906P

Sorbinil | sorbinilo | Sorbinilum

LXANPKRCLVQAOG-NSHDSACASA-N

DB02713

EXPT00379

Acetylamino-Acetic Acid

543-24-8

U2UT4677KR

null

OKJIRPAQVSHGFK-UHFFFAOYSA-N

DB02714

EXPT03160

3'-Uridinemonophosphate

84-53-7

ZI74VYB8VZ

3'-UMP | 3'-Uridylic acid | Uridine 3'-monophosphate | Uridine 3'-phosphate

FOGRQMPFHUHIGU-XVFCMESISA-N

DB02715

EXPT00473

Compound 18

31112-66-0

null

UZOOIPXOYYJULJ-RHLLTPQKSA-N

DB02716

EXPT02167

7-methyl-guanosine-5'-triphosphate

null

7-methyl-GTP(1+) | 7-methylguanosine 5'-(tetrahydrogen triphosphate)

DKVRNHPCAOHRSI-KQYNXXCUSA-O

DB02717

EXPT01056

Cellotetraose

38819-01-1

null

LUEWUZLMQUOBSB-HGDSAIHNSA-N

DB02719

EXPT00842

C-(1-hydrogyl-beta-D-glucopyranosyl) formamide

361440-32-6

null

(2R,3R,4S,5S,6R)-2,3,4,5-Tetrahydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-carboxamide

DTZYCNDAJQDPQC-UHKLXPPTSA-N

DB02720

EXPT01605

alpha-D-glucopyranosyl-2-carboxylic acid amide

58825-13-1

null

UKWLGCFJAVEFPE-DVKNGEFBSA-N

DB02721

EXPT02726

4-Iodopyrazole

3469-69-0

F33UJD465Q

null

LLNQWPTUJJYTTE-UHFFFAOYSA-N

DB02722

EXPT01567

4-O-methyl-beta-D-glucuronic acid

null

WGLLPAPKWFDHHV-RLZVPWTLSA-N

DB02723

EXPT00716

4-Oxo-2-Phenylmethanesulfonyl-Octahydro-Pyrrolo[1,2-a]Pyrazine-6-Carboxylic Acid [1-(N-Hydroxycarbamimidoyl)-Piperidin-4-Ylmethyl]-Amide

null

DHTSUHWLPAEEQB-OALUTQOASA-N

DB02724

EXPT00495

Delta-2-Albomycin A1

null

RQZRKFJHRUDTLB-OOXACHQASA-N

DB02725

EXPT00424

2-Amino-4-(4-Amino-Cyclohexa-2,5-Dienyl)-Butyric Acid

null

LAJWZJCOWPUSOA-SMOXQLQSSA-N

DB02726

EXPT02567 | DB02389

2-Phosphoglycolic Acid

13147-57-4

H8593JOP13

null

ASCFNMCAHFUBCO-UHFFFAOYSA-N

DB02727

EXPT00698

2-butyl-1-hydroxyguanidine

140215-98-1

null

N-butyl-N'-hydroxyguanidine

ULDDTFAPYWLDGF-UHFFFAOYSA-N

DB02728

EXPT03279

7-Hydroxy-2-Oxo-Chromene-3-Carboxylic Acid Ethyl Ester

null

X538NC636R

null

IETDBZQIWIJQJG-UHFFFAOYSA-N

DB02729

EXPT00032

SD146

183854-21-9

null

3,3'-{[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]bis(methylene)}bis[N-(1H-benzimidazol-2-yl)benzamide]

UWSVAGUSMAEUKO-QHQGJXSCSA-N

DB02730

EXPT02093

4-Methylthio-Alpha-D-Mannose

null

UYUQSQYXZFSOEM-GKHCUFPYSA-N

DB02731

EXPT01342

Ethylmercurithiosalicylic acid

148-61-8

4071N4J64W

[(o-carboxyphenyl)thio]ethylmercury | 2-(ethylmercuri-thio)-benzoic acid | 2-(ethylmercuriothio)benzoic acid

HXQVQGWHFRNKMS-UHFFFAOYSA-M

DB02732

EXPT02284

[(2R,3S,4R,5R)-5-(4-acetonyl-3-carbamoyl-pyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphate

null

Nicotinamide adenine dinucleotide acetone adduct

SGHBFOOIAAJJMI-YDKVLQLQSA-N

DB02733

EXPT02705

Purvalanol

null

ZKDXRFMOHZVXSG-HNNXBMFYSA-N

DB02734

EXPT02117

4-Deoxy-D-Mannuronic Acid

null

IAKKJSVSFCTLRY-NVFHJIOMSA-N

DB02735

EXPT00503

2-Amino-3-Oxo-4-Sulfo-Butyric Acid

null

MNJOBAOHZQQXIK-GPKNORDASA-N

DB02736

EXPT00414

Acetamide

60-35-5

8XOE1JSO29

null

DLFVBJFMPXGRIB-UHFFFAOYSA-N

DB02738

EXPT00244

Adenosine-5'-Pentaphosphate

null

WYJWVZZCMBUPSP-KQYNXXCUSA-N

DB02740

EXPT00173

3-Indolebutyric Acid

133-32-4

061SKE27JP

null

JTEDVYBZBROSJT-UHFFFAOYSA-N

DB02741

EXPT00233

CD564

null

RWYREGSYPCNZTL-UHFFFAOYSA-N

DB02742

EXPT01973

Kifunensine

109944-15-2

0NI8960271

null

OIURYJWYVIAOCW-PQMKYFCFSA-N

DB02743

EXPT00610

beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranose

null

4-O-β-D-galactopyranosyl-β-D-galactopyranose | Galactobiose | β-D-galactopyranosyl-(1→4)-β-D-galactopyranose | β-D-Galp-(1→4)-β-D-Galp

GUBGYTABKSRVRQ-WWZHPTPQSA-N

DB02744

EXPT02653

RPR131247

null

PQJGWYQPOHCEDO-ZDUSSCGKSA-N

DB02745

EXPT03205

Uridine

58-96-8

WHI7HQ7H85

Uridina

DRTQHJPVMGBUCF-XVFCMESISA-N

DB02746

EXPT02595

Phthalic Acid

88-99-3

6O7F7IX66E

null

XNGIFLGASWRNHJ-UHFFFAOYSA-N

DB02747

EXPT01886

Diamino-N-[(4S)-5-anilino-4-{[(2S)-2-{[(1R)-1-carboxyethyl]amino}-4-phenylbutanoyl]amino}-5-oxopentyl]methaniminium

null

HDGWGGCPTVXRNA-QMMLZNLJSA-O

DB02749

EXPT02613

Pyromellitic Acid

89-05-4

D9UXG2U6ZU

null

CYIDZMCFTVVTJO-UHFFFAOYSA-N

DB02750

EXPT00956

S-(Methylmercury)-L-Cysteine

null

OMYFBIZVJYGJJA-YBBRRFGFSA-M

DB02751

EXPT02364

Glycocyamine

352-97-6

GO52O1A04E

BPMFZUMJYQTVII-UHFFFAOYSA-N

DB02752

EXPT03095

Tosyl-D-Proline

null

CGPHGPCHVUSFFA-LLVKDONJSA-N

DB02753

EXPT02929

Selenoinosine

40093-99-0

null

MXLAAGNIPFEHEI-KQYNXXCUSA-N

DB02754

EXPT02694

9-Butyl-8-(3,4,5-Trimethoxybenzyl)-9h-Purin-6-Amine

null

TUOSCZDRWRYPRS-UHFFFAOYSA-N

DB02755

EXPT02479

1-3 Sugar Ring of Pentamannosyl 6-Phosphate

null

HDQMHAJOIVYOIP-NAVBLJQLSA-N

DB02756

EXPT02722

Pyroquilon

57369-32-1

WS195Z0WJH

1,2,5,6-tetrahydropyrrolo[3,2,1-ij]quinolin-4-one

XRJLAOUDSILTFT-UHFFFAOYSA-N