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chemical_database.csv
S9a8m (Samuel Clark)
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WikiData ID,PubChem ID,name,IUPAC,Formulae,Mr,Stereo
Q73972,44475014,Hydroxocobalamin,"cobalt(3+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl] phosphate;hydroxide",C62H89CoN13O15P,1346.377,14
Q81890,53629521,Bismuth;2-oxidobenzoate;hydroxide,bismuth;2-oxidobenzoate;hydroxide,C7H5BiO4,362.093,0
Q96385,5281239,Fucoxanthin,"[(1S,3R)-3-hydroxy-4-[(3E,5E,7E,9E,11E,13E,15E)-18-[(1R,3S,6S)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]-3,7,12,16-tetramethyl-17-oxooctadeca-1,3,5,7,9,11,13,15-octaenylidene]-3,5,5-trimethylcyclohexyl] acetate",C42H58O6,658.92,5
Q114391,11313,Congo red,disodium;4-amino-3-[[4-[4-[(1-amino-4-sulfonatonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonate,C32H22N6Na2O6S2,696.664,0
Q120384,6438343,Corrin,"(5Z,9Z,14Z)-2,3,7,8,12,13,17,18,19,22-decahydro-1H-corrin",C19H22N4,306.413,0
Q132037,23683747,Acesulfame potassium,"potassium;6-methyl-2,2-dioxooxathiazin-4-olate",C4H4KNO4S,201.237,0
Q132442,5841742,Solvent red 27,"(1Z)-1-[[4-[(2,3-dimethylphenyl)diazenyl]-2,3-dimethylphenyl]hydrazinylidene]naphthalen-2-one",C26H24N4O,408.505,0
Q134583,122173976,Trimagnesium;oxygen(2-);silicon(4+);dihydroxide,trimagnesium;oxygen(2-);silicon(4+);dihydroxide,H2Mg3O12Si4,379.259,0
Q135270,5280951,Harmaline,"7-methoxy-1-methyl-3,4-dihydro-2H-pyrido[3,4-b]indole",C13H14N2O,214.268,0
Q139883,87310,Alliin,(2R)-2-amino-3-prop-2-enylsulfinylpropanoic acid,C6H11NO3S,177.218,1
Q143289,6500,Tabun,[dimethylamino(ethoxy)phosphoryl]formonitrile,C5H11N2O2P,162.129,0
Q144917,32742,Ethylene-vinyl acetate copolymer (19% vinylacetate),but-3-enoic acid;ethene,C6H10O2,114.144,0
Q150900,11635,Octadecane,octadecane,C18H38,254.502,0
Q150911,12401,Nonadecane,nonadecane,C19H40,268.529,0
Q150955,12403,Heneicosane,henicosane,C21H44,296.583,0
Q151028,11636,Heptacosane,heptacosane,C27H56,380.745,0
Q151123,11008,Dotriacontane,dotriacontane,C32H66,450.88,0
Q151134,12411,Tritriacontane,tritriacontane,C33H68,464.907,0
Q151145,26519,Tetratriacontane,tetratriacontane,C34H70,478.934,0
Q151158,12413,Pentatriacontane,pentatriacontane,C35H72,492.961,0
Q151185,12412,Hexatriacontane,hexatriacontane,C36H74,506.988,0
Q151226,114842,Nonatriacontane,nonatriacontane,C39H80,549.069,0
Q151239,20149,Tetracontane,tetracontane,C40H82,563.096,0
Q155667,6857447,beta-Tocopherol,"(2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol",C28H48O2,416.69,3
Q158348,14985,alpha-Tocopherol,"(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol",C29H50O2,430.717,3
Q161294,635956,"Ferrocene-1,1'-bis-(diphenylphosphine)","cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;iron(2+)",C34H28FeP2,554.391,0
Q164403,26927,Phoxim,N-diethoxyphosphinothioyloxybenzenecarboximidoyl cyanide,C12H15N2O3PS,298.297,0
Q170617,16186314,MASNOZXLGMXCHN-GVLKBUBXSA-N,H-His-Ser-Gln-Gly-Thr-Phe-Thr-Ser-Asp-Tyr-Ser-Lys-Tyr-Leu-Asp-Ser-Arg-Arg-Ala-Gln-Asp-Phe-Val-Gln-Trp-Leu-Met-Asn-xiThr-OH,C153H225N43O49S,3482.795,30
Q172409,9938056,Tocopherosolan,"1-O-(2-hydroxyethyl) 4-O-[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] butanedioate",C35H58O6,574.843,3
Q179619,14783,Cadmium sulfide,sulfanylidenecadmium,CdS,144.474,0
Q192553,444412,Levomefolic acid,"(2S)-2-[[4-[[(6S)-2-amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid",C20H25N7O6,459.463,2
Q199678,54670067,Ascorbic acid,"(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one",C6H8O6,176.124,2
Q209162,10956447,"2,3-Dibromo-1,4-benzoquinone","2,3-dibromocyclohexa-2,5-diene-1,4-dione",C6H2Br2O2,265.888,0
Q216852,853,DL-Thyroxine,"2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid",C15H11I4NO4,776.874,0
Q222424,3084092,Fusafungine,cyclo[DL-OVal-N(Me)Val-DL-OVal-N(Me)Val-DL-OVal-N(Me)Val],C33H57N3O9,639.831,3
Q223008,3753114,"3,5-Dibromobenzene-1,2-diol","3,5-dibromobenzene-1,2-diol",C6H4Br2O2,267.904,0
Q223029,85603384,"3,6-Dibromobenzene-1,2-diol","3,6-dibromobenzene-1,2-diol",C6H4Br2O2,267.904,0
Q223103,11507,3-Methylhexane,3-methylhexane,C7H16,100.205,0
Q225854,443101,Acriflavine,"acridine-3,6-diamine;10-methylacridin-10-ium-3,6-diamine;chloride",C27H25ClN6,468.989,0
Q229907,67496,"10H-Pyrido[3,2-b][1,4]benzothiazine","10H-pyrido[3,2-b][1,4]benzothiazine",C11H8N2S,200.259,0
Q241678,439230,Mevalonic acid,"(3R)-3,5-dihydroxy-3-methylpentanoic acid",C6H12O4,148.158,1
Q245487,5359375,6-Diazo-5-oxo-L-norleucine,"(Z,5S)-5-amino-1-diazonio-6-hydroxy-6-oxohex-1-en-2-olate",C6H9N3O3,171.156,1
Q248891,3035030,YBPMPRDOWHIVNA-JKBCNOLGSA-N,"5-[(8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one",C24H34O2,354.534,6
Q249208,192826,Amylose,Glc(a1-4)Glc(a1-4)a-Glc,C18H32O16,504.438,15
Q250442,6436232,Methylcobalamin,"carbanide;cobalt(3+);[5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl phosphate",C63H91CoN13O14P,1344.405,0
Q257590,10110,Propiolic acid,prop-2-ynoic acid,C3H2O2,70.047,0
Q259997,787,Hydroxylamine,hydroxylamine,NH2OH,33.03,0
Q262613,29982893,YELGFTGWJGBAQU-VIFPVBQESA-N,(2S)-2-(methylamino)-1-(4-methylphenyl)propan-1-one,C11H15NO,177.247,1
Q278972,16219952,(R)-SKF 81297 hydrobromide,"(5R)-9-chloro-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;hydrobromide",C16H17BrClNO2,370.671,1
Q283033,54682536,Calcium ascorbate,"calcium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-olate;dihydrate",C12H14O12Ca?2H2O,426.34,4
Q284367,24139,N-Acetyl-beta-D-glucosamine,b-GlcNAc,C8H15NO6,221.209,5
Q286793,10343784,DRWIEUMYCVXWJO-OXJNMPFZSA-N,"[(3S)-1-[[(4S)-5-[2-(3,4-dichlorophenyl)acetyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-4-yl]methyl]pyrrolidin-3-yl] acetate",C22H24Cl2N2O4,451.344,2
Q287582,5464076,"2,2'-Azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid","(2E)-3-ethyl-2-[(Z)-(3-ethyl-6-sulfo-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonic acid",C18H18N4O6S4,514.604,0
Q287745,638178,Tert-Butyllithium,lithium;2-methylpropane,C4H9Li,64.056,0
Q329022,536100,"3,3,6,6-Tetramethyl-1,2,4,5-tetraoxane","3,3,6,6-tetramethyl-1,2,4,5-tetraoxane",C6H12O4,148.158,0
Q337231,24759,KIUKXJAPPMFGSW-MNSSHETKSA-N,GlcA(b1-3)HexNAc(?1-4)GlcA(b1-3)HexNAc,C28H44N2O23,776.651,18
Q347621,6003770,Olsalazine,"5-[(2Z)-2-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2-hydroxybenzoic acid",C14H10N2O6,302.242,0
Q349427,16133891,QXZBMSIDSOZZHK-UHFFFAOYSA-N,H-DL-Pyr-DL-Gln-DL-Arg-DL-Leu-Gly-DL-Asn-DL-Gln-DL-Trp-DL-Ala-DL-Val-Gly-DL-His-DL-Leu-DL-Met-NH2,C71H110N24O18S,1619.871,0
Q367258,68245,Delphinidin chloride,"2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride",C15H11ClO7,338.696,0
Q368222,46937068,WOIIIUDZSOLAIW-NSHDSACASA-N,"(2S)-5-(dimethylamino)-9-methyl-2-prop-2-enylpyrazolo[1,2-a][1,2,4]benzotriazine-1,3-dione",C16H18N4O2,298.346,1
Q369048,25265910,Cicutoxin,"(8E,10E,12E,14R)-heptadeca-8,10,12-trien-4,6-diyne-1,14-diol",C17H22O2,258.361,1
Q373791,6537493,Solanine,N/A,C45H73NO15,868.071,25
Q379123,5479494,Phytochlorin,"(17S,18S)-18-(2-carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid",C34H36N4O6,596.684,2
Q384709,9570119,Ponceau 4R,"trisodium;(8Z)-7-oxo-8-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-1,3-disulfonate",C20H11N2Na3O10S3,604.461,0
Q385657,5281227,Canthaxanthin,"2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one",C40H52O2,564.854,0
Q390239,10255,Kainic acid,"(2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid",C10H15NO4,213.233,3
Q407189,123351,Perchlorate ion,perchlorate,ClO4-,99.446,0
Q407373,5460291,"Arabinose, L-","(2R,3S,4S)-2,3,4,5-tetrahydroxypentanal",C5H10O5,150.13,3
Q407446,516902,Sodium chlorate,sodium;chlorate,NaClO3,106.437,0
Q407658,168014,Ethyl 4-methoxybenzenesulfonate,ethyl 4-methoxybenzenesulfonate,C9H12O4S,216.251,0
Q408132,5353788,Molsidomine,(1E)-1-ethoxy-N-(3-morpholin-4-yloxadiazol-3-ium-5-yl)methanimidate,C9H14N4O4,242.235,0
Q408221,91748,CID 91748,"2-hydroxy-3-[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-4-one",C33H25F3O4,542.554,0
Q408256,445040,Biopterin,"2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-1H-pteridin-4-one",C9H11N5O3,237.219,2
Q408360,422690,"9-N,9-N-Diethyl-9H-benzo[a]phenoxazine-5,9-diamine","9-N,9-N-diethyl-9H-benzo[a]phenoxazine-5,9-diamine",C20H21N3O,319.408,0
Q408805,24931,Lead iodide,diiodolead,PbI2,461.009,0
Q409743,9578573,Cefovecin,"(7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-[(2S)-oxolan-2-yl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",C17H19N5O6S2,453.488,2
Q409818,11817,Trinitroanisole,"2-methoxy-1,3,5-trinitrobenzene",C7H5N3O7,243.131,0
Q409957,7472,Dimethyl-P-phenylenediamine,"4-N,4-N-dimethylbenzene-1,4-diamine",C8H12N2,136.198,0
Q410036,123865,Geneticin,"(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol",C20H40N4O10,496.558,15
Q410052,174863,QCDLLIUTDGNCPO-AEMJNJESSA-N,"[(3aR,4S,9aS,9bR)-4-hydroxy-6-methyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[8,7-b]furan-9-yl]methyl 2-(4-hydroxyphenyl)acetate",C23H22O7,410.422,4
Q410281,20486,Chlorophenol red,"2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]phenol",C19H12Cl2O5S,423.26,0
Q410487,23716905,Lithium;bis(oxoboranyloxy)borinate,lithium;bis(oxoboranyloxy)borinate,B3LiO5,119.365,0
Q410521,6181,"3,5-Diiodotyrosine","H-DL-Tyr(3,5-diI)-OH",C9H9I2NO3,432.984,0
Q410614,6438478,Satratoxin H,N/A,C29H36O9,528.598,8
Q410670,7394,P-Chlorobenzotrifluoride,1-chloro-4-(trifluoromethyl)benzene,C7H4ClF3,180.554,0
Q410875,61028,Butyllithium,lithium;butane,C4H9Li,64.056,0
Q411046,16682923,Sodium;(2-carboxylatophenyl)sulfanyl-ethylmercury,sodium;(2-carboxylatophenyl)sulfanyl-ethylmercury,C9H9HgNaO2S,404.811,0
Q411054,10635,Stanolone,"(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one",C19H30O2,290.447,7
Q411087,31958,Batrachotoxin,N/A,C31H42N2O6,538.685,5
Q411138,6466,Gibberellic acid,N/A,C19H22O6,346.379,8
Q411309,24856,Potassium alum anhydrous,aluminum;potassium;disulfate,AlK(SO4)2? 12 H2O,258.192,0
Q411426,5281800,Verbascoside,"[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate",C29H36O15,624.592,10
Q411484,139558,Tetrafluoroplutonium,tetrafluoroplutonium,F4Pu,320.058,0
Q411844,73963,Dioxocerium,dioxocerium,CeO2,172.114,0
Q411899,125835,"2-[(1r,3s)-3-Hydroxycyclohexyl]-5-(2-methyloctan-2-yl)phenol","2-[(1R,3S)-3-hydroxycyclohexyl]-5-(2-methyloctan-2-yl)phenol",C21H34O2,318.501,2
Q411909,72370,Salinomycin,"(2R)-2-[(5S,6R)-6-[(2S,3S,4S,6R)-6-[(3S,5R,7S,9S,10S,12R,15R)-3-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.5^{7}.3^{5}]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-5-methyloxan-2-yl]butanoic acid",C42H70O11,751.011,17
Q412191,439533,Taxifolin,"(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one",C15H12O7,304.254,2
Q412291,11948701,Laropiprant mixture with niacin,"2-[(3R)-4-[(4-chlorophenyl)methyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;pyridine-3-carboxylic acid",C27H24ClFN2O6S,559.005,1
Q412742,114787,RDEVUJPZGWFVRQ-HQKKAZOISA-N,"(1R,5R,6R,7S)-5-butanoyl-2-hydroxy-6-methyl-1,3,7-tris(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)bicyclo[3.3.1]non-2-ene-4,9-dione",C35H52O4,536.797,4
Q412805,5284468,Bis(cyclopentadienyl)titanium dichloride,"cyclopenta-1,3-diene;titanium(4+);dichloride",C10H10Cl2Ti,248.957,0
Q412874,16684788,Aluminum sulfide,sulfanylidene(sulfanylidenealumanylsulfanyl)alumane,Al2S3,150.143,0
Q413036,66210,Uranium(IV) chloride,tetrachlorouranium,UCl4,379.829,0
Q413127,3082084,Nitrogen bromide,N/A,Br3N,253.719,0
Q413278,6337100,Antimony; hydron; hexafluoride,antimony;hydron;hexafluoride,F6HSb-5,236.758,0
Q413387,3045289,Lead dipicrate,"lead(2+);2,4,6-trinitrophenolate",C12H4N6O14Pb,663.392,0
Q413559,24939,Aluminum sodium sulfate,aluminum;sodium;disulfate,AlNaO8S2,242.083,0
Q413572,3356745,Potassium phthalimide,"potassium;isoindol-2-ide-1,3-dione",C8H4KNO2,185.223,0
Q413596,132333,"2-[Dimethylamino(fluoro)phosphoryl]oxy-N,N-dimethylethanamine","2-[dimethylamino(fluoro)phosphoryl]oxy-N,N-dimethylethanamine",C6H16FN2O2P,198.178,0
Q413703,68439,CID 68439,"triazanium;5-[(3-carboxylato-4-hydroxyphenyl)-(3-carboxylato-4-oxocyclohexa-2,5-dien-1-yl)methyl]-2-hydroxybenzoate",C22H25N3O9,475.454,0
Q413733,17815325,Americium trichloride,americium;trichloride,AmCl3-3,349.411,0
Q413762,154417,Hyoscyamine,"[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate",C17H23NO3,289.375,3
Q413805,444008,Tibolone,"(7R,8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-7,13-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one",C21H28O2,312.453,6
Q413849,2724049,Methyllithium,lithium;carbanide,CH3Li,21.975,0
Q414317,1549158,Ambazone,[4-[2-(diaminomethylidene)hydrazinyl]phenyl]iminothiourea,C8H11N7S,237.285,0
Q414359,61616,Potassium;oxoarsinite,potassium;oxoarsinite,AsKO2,146.018,0
Q414394,19968892,NMODLPTUBQDTMU-UHFFFAOYSA-N,N-[4-[2-(1-benzylpiperidin-4-ylidene)acetyl]phenyl]acetamide,C22H24N2O2,348.446,0
Q414824,19021056,Copper(1+);acetylide,copper(1+);acetylide,C2Cu2,151.114,0
Q415410,253628,"1,3,5-Trinitro-2-[2-(2,4,6-trinitrophenyl)ethenyl]benzene","1,3,5-trinitro-2-[2-(2,4,6-trinitrophenyl)ethenyl]benzene",C14H6N6O12,450.232,0
Q415484,6101006,Barium(2+); dioxido(oxo)titanium,barium(2+);dioxido(oxo)titanium,BaTiO3,233.191,0
Q415588,10339178,Carboplatin,"azane;cyclobutane-1,1-dicarboxylate;platinum(2+)",C6H12N2O4Pt,371.256,0
Q415646,31269,Carbamoyliminourea,carbamoyliminourea,C2H4N4O2,116.08,0
Q415768,161166,Kynurenine,(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid,C10H12N2O3,208.217,1
Q415798,16219761,NVNLLIYOARQCIX-ILAIHEEGSA-N,N/A,C143H230N42O37S7,3354.09,31
Q415872,25135,Boron trichloride,trichloroborane,BCl3,117.16,0
Q415909,3000502,Capreomycin,H-Dap(1)-Ala-Dap(Unk)-Dha(ureido)-Arg-(1).H-Dap(2)-Ser-Dap(Unk)-Dha(ureido)-Arg-(2),C50H88N28O15,1321.435,12
Q415920,10608386,5-(Benzylthio)-1-hexene,hex-5-en-2-ylsulfanylmethylbenzene,C13H18S,206.347,0
Q415945,5280435,Phytol,"(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol",C20H40O,296.539,2
Q416381,13848147,Calcium;silicon(1-),calcium;silicon(1-),CaSi2,96.248,0
Q416490,10931771,Hydroxyamine sulfate,hydroxylamine;sulfuric acid,H8N2O6S,164.132,0
Q416513,657262,Dithizone,1-anilino-3-phenyliminothiourea,C13H12N4S,256.327,0
Q416534,827,Xylitol,"pentane-1,2,3,4,5-pentol",C5H12O5,152.146,0
Q416641,159684,Ceric sulfate,cerium(4+);disulfate,Ce(SO4)2,332.228,0
Q416716,10475874,"2,4-Bis(benzenesulfonyl)-2,4-dimethylpentan-3-ol","2,4-bis(benzenesulfonyl)-2,4-dimethylpentan-3-ol",C19H24O5S2,396.516,0
Q416904,23635,3-Phenyl-3-propylazetidine,3-phenyl-3-propylazetidine,C12H17N,175.275,0
Q417003,23683938,Sodium erythorbate,"sodium;(2R)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate",C6H7O6Na?H2O,198.106,2
Q417103,24294,Antimony pentachloride,pentachloro-$l^{5}-stibane,SbCl5,299.01,0
Q417250,150906,Lanthanum oxide,lanthanum(3+);oxygen(2-),La2O3,325.808,0
Q417304,139073,Beryllium;hydride,beryllium;hydride,BeH2,11.028,0
Q417309,3014771,Platinum;hexafluoride,platinum;hexafluoride,F6Pt-6,309.074,0
Q417538,24930,Chromic sulfate,chromium(3+);trisulfate,Cr2(SO4)3,392.16,0
Q417674,9142,Perylene,perylene,C20H12,252.316,0
Q417755,98504,Lanthionine,(2R)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]sulfanylpropanoic acid,C6H12N2O4S,208.232,2
Q417819,6507024,Acid red 1,"disodium;(3Z)-5-acetamido-4-oxo-3-(phenylhydrazinylidene)naphthalene-2,7-disulfonate",C18H13N3Na2O8S2,509.415,0
Q418258,139632,Bromine fluoride,N/A,BrF,98.902,0
Q418345,9795063,Norbaeocystin,[3-(2-aminoethyl)-1H-indol-4-yl] dihydrogen phosphate,C10H13N2O4P,256.198,0
Q418564,16683111,Tri(quinolin-8-yloxy)alumane,tri(quinolin-8-yloxy)alumane,C27H18AlN3O3,459.441,0
Q418735,35766,Hygromycin b,"(3'R,3aS,4S,4'R,5'R,6R,6'R,7S,7aS)-4-[(1R,2S,3R,5S,6R)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy-6'-[(1S)-1-amino-2-hydroxyethyl]-6-(hydroxymethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,2'-oxane]-3',4',5',7-tetrol",C20H37N3O13,527.524,15
Q418758,66895,Sulfamidochrysoidine,"4-[(2,4-diaminophenyl)diazenyl]benzenesulfonamide",C12H13N5O2S,291.329,0
Q419070,10808965,SZMGAQKVODISQU-UHFFFAOYSA-N,"5-ethylsulfanyl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide",C17H16F3N3OS,367.39,0
Q419193,11968069,Natural red 26,"(2R,6Z)-6-[[(3Z,5S)-2,5-dihydroxy-3-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-4,6-dioxo-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexen-1-yl]methylidene]-2,5-dihydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dione",C43H42O22,910.787,12
Q419209,66347,Tetraacetylethylenediamine,N-acetyl-N-[2-(diacetylamino)ethyl]acetamide,C10H16N2O4,228.248,0
Q419226,3032849,Hydroxylysine,H-Hyl-OH,C6H14N2O3,162.189,2
Q419308,205586,Anabasine,3-[(2S)-piperidin-2-yl]pyridine,C10H14N2,162.236,1
Q419361,6852391,Butylscopolamine bromide,N/A,C21H30BrNO4,440.378,5
Q419415,6433516,Simethicone,dioxosilane;methoxy-dimethyl-trimethylsilyloxysilane,C6H18O4Si3,238.461,0
Q419478,637932,Phenyllithium,lithium;benzene,C6H5Li,84.046,0
Q419642,9562061,Trypan blue,"tetrasodium;(3Z)-5-amino-3-[[4-[4-[(2Z)-2-(8-amino-1-oxo-3,6-disulfonatonaphthalen-2-ylidene)hydrazinyl]-3-methylphenyl]-2-methylphenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate",C34H24N6Na4O14S4,960.793,0
Q419775,65106,"2,3-Dihydroporphyrin","2,3,22,24-tetrahydroporphyrin",C20H16N4,312.376,0
Q419846,61461,Tetrafluorouranium,tetrafluorouranium,F4U,314.023,0
Q419849,450503,Fludeoxyglucose F 18,"(2S,3R,4S,5S,6R)-3-fluoranyl-6-(hydroxymethyl)oxane-2,4,5-triol",C6H11FO5,181.15,5
Q419895,6093299,FD&C Red NO. 40,disodium;(5E)-5-[(2-methoxy-5-methyl-4-sulfonatophenyl)hydrazinylidene]-6-oxonaphthalene-2-sulfonate,C18H14N2Na2O8S2,496.416,0
Q419900,11829350,Potassium bifluoride,potassium;fluoride;hydrofluoride,KHF2,78.103,0
Q420043,7338,Propenylguaiacol,2-methoxy-4-prop-1-enylphenol,C10H12O2,164.204,0
Q420070,159762,Sodium percarbonate,tetrasodium;hydrogen peroxide;dicarbonate,2Na2CO3.3H2O2,314.017,0
Q420087,77073,Patent blue V,"calcium;4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-6-hydroxybenzene-1,3-disulfonate",<a class=\,1159.422,0
Q420102,5367719,Methyl jasmonate,methyl 2-[3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate,C13H20O3,224.3,0
Q420138,11953901,Betanin,"(2S)-1-[(2E)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene]-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-2-carboxylate",C24H26N2O13,550.473,7
Q420191,159370,Dysprosium oxide,dysprosium(3+);oxygen(2-),Dy2O3,372.997,0
Q420212,20024,But-2-en-1-ol,but-2-en-1-ol,C4H8O,72.107,0
Q420284,13726,"2,6-Dichloroindophenol","4-(3,5-dichloro-4-hydroxyphenyl)iminocyclohexa-2,5-dien-1-one",C12H7Cl2NO2,268.093,0
Q420310,139204,Cyclooctane;uranium,cyclooctane;uranium,C16H16U-16,446.333,0
Q420354,219203,"(3R,4S)-7-(Dihydroxymethylidene)-3,4,5-trimethyl-3,4-dihydroisochromene-6,8-dione","(3R,4S)-7-(dihydroxymethylidene)-3,4,5-trimethyl-3,4-dihydroisochromene-6,8-dione",C13H14O5,250.25,2
Q420527,89579,Orellanine,"2-(1,3-dihydroxy-4-oxopyridin-2-yl)-1,3-dihydroxypyridin-4-one",C10H8N2O6,252.182,0
Q421074,6093196,Amaranth,"trisodium;(4E)-3-oxo-4-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-2,7-disulfonate",C20H11N2Na3O10S3,604.461,0
Q421116,5351448,"6-(Dihydroxymethylidene)-4,5-dioxopyran-2-carboxylic acid","6-(dihydroxymethylidene)-4,5-dioxopyran-2-carboxylic acid",C7H4O7,200.102,0
Q421246,66868,Porphine,"21,22-dihydroporphyrin",C20H14N4,310.36,0
Q421255,24273,Vanadium tetrachloride,tetrachlorovanadium,VCl4*,192.742,0
Q421272,19902959,Plutonium trichloride,plutonium;trichloride,PuCl3,350.414,0
Q421291,9291,Ferrous gluconate,"iron;(2R,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanoic acid",C12H24FeO14,448.155,8
Q421320,6446270,Ionomycin,"calcium;(4R,6S,8S,10Z,12R,14R,16E,18R,19R,20S,21S)-19,21-dihydroxy-22-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-4,6,8,12,14,18,20-heptamethyl-11-oxido-9-oxodocosa-10,16-dienoate",C41H70CaO9,747.08,14
Q421356,443297,Hydroxylamine hydrochloride,hydroxylamine;hydrochloride,NH2OH.HCl,69.488,0
Q421389,66226,Germanium tetrachloride,tetrachlorogermane,GeCl4,214.43,0
Q421598,213021,Acetamiprid,N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide,C10H11ClN4,222.676,0
Q421647,11968241,IQWPWKFTJFECBS-UHFFFAOYSA-N,N/A,O8U3,842.079,0
Q421676,5281675,Orientin,"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one",C21H20O11,448.38,5
Q421894,2724251,Ferric ferrocyanide,iron(2+);iron(3+);octadecacyanide,Fe4[Fe(CN)6]3,859.239,0
Q421905,101616,Lobeline,"2-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanone",C22H27NO2,337.463,3
Q422156,9875677,Methyl Blue,"disodium;4-[4-[[4-(4-sulfonatoanilino)phenyl]-[4-(4-sulfonatophenyl)azaniumylidenecyclohexa-2,5-dien-1-ylidene]methyl]anilino]benzenesulfonate",C37H27N3Na2O9S3,799.795,0
Q422305,161557,Ampelopsin,"(2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one",C15H12O8,320.253,2
Q422327,11947679,DWAFYCQODLXJNR-BNTLRKBRSA-L,"[(1R,2R)-2-azanidylcyclohexyl]azanide;oxalate;platinum(4+)",C8H12N2O4Pt,395.278,2
Q422426,522689,Potassium fluoride,potassium;fluoride,KF,58.097,0
Q422504,13711,Deoxycytidine,dCyd,C9H13N3O4,227.22,3
Q422652,5381226,Rifampin,N/A,C43H58N4O12,822.953,9
Q422863,5280818,Stercobilin,3-[(2E)-2-[[3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxopyrrolidin-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(3-ethyl-4-methyl-5-oxopyrrolidin-2-yl)methyl]-4-methylpyrrol-3-yl]propanoic acid,C33H46N4O6,594.753,0
Q423223,65550,"Lyxose, D-","(2S,3S,4R)-2,3,4,5-tetrahydroxypentanal",C5H10O5,150.13,3
Q423275,6857724,Platensimycin,N/A,C24H27NO7,441.48,6
Q423531,12039,Chorismic acid,"(3R,4R)-3-(1-carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid",C10H10O6,226.184,2
Q423783,11031065,Epibatidine,"(1R,3R,4S)-3-(6-chloropyridin-3-yl)-7-azabicyclo[2.2.1]heptane",C11H13ClN2,208.689,3
Q423846,57503849,PUSNGFYSTWMJSK-GSZQVNRLSA-N,"(2R,3R,4S,5R,6R)-2,3,4-trimethoxy-6-(methoxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane;1-[[(2R,3R,4S,5R,6S)-3,4,5-tris(2-hydroxypropoxy)-6-[(2R,3R,4S,5R,6R)-4,5,6-tris(2-hydroxypropoxy)-2-(2-hydroxypropoxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]propan-2-ol",C56H108O30,1261.45,20
Q423910,3035019,PHLRMGUUVNOKNG-OCYOQFCJSA-N,"(4R)-4-[(8R,9S,10S,13S,14R,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxolan-2-one",C23H34O2,342.523,7
Q424091,107663,Magnesium dihydride,magnesium;hydride,H2Mg,26.321,0
Q424223,8455,"2,4-DI-Tert-pentylphenol","2,4-bis(2-methylbutan-2-yl)phenol",C16H26O,234.383,0
Q424250,82824,Sulfanylidenemagnesium,sulfanylidenemagnesium,MgS,56.365,0
Q424294,657308,Ipratropium bromide,"[(1S,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate;bromide",C20H30BrNO3,412.368,2
Q424459,727,Lindane,"1,2,3,4,5,6-hexachlorocyclohexane",C6H6Cl6,290.814,0
Q424481,159404,Lithium niobium trioxide,lithium;niobium(5+);oxygen(2-),LiNbO3,147.843,0
Q424541,6536776,Brown HT,"disodium;4-[(2Z)-2-[(5E)-3-(hydroxymethyl)-4,6-dioxo-5-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]cyclohex-2-en-1-ylidene]hydrazinyl]naphthalene-1-sulfonate",C27H18N4Na2O9S2,652.56,0
Q424726,5114,Ryanodine,N/A,C25H35NO9,493.553,0
Q424851,10342051,Esfenvalerate,[(S)-cyano-(3-phenoxyphenyl)methyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate,C25H22ClNO3,419.905,2
Q424871,443130,Mersalyl acid,[3-[[2-(carboxymethoxy)benzoyl]amino]-2-methoxypropyl]mercury;hydrate,C13H18HgNO6,484.88,0
Q424931,6508,Quinic acid,"(3R,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid",C7H12O6,192.167,2
Q424958,82215,Germanium tetrafluoride,tetrafluorogermane,F4Ge,148.624,0
Q425053,61789,Lead styphnate,"lead(2+);2,4,6-trinitrobenzene-1,3-diolate",C6HN3O8Pb,450.287,0
Q425059,18208,4-Nitroimidazole,5-nitro-1H-imidazole,C3H3N3O2,113.076,0
Q425064,120690,HJCSQOSWSRPBOU-ZDKCPBOOSA-N,N/A,C19H31NO2,305.462,7
Q425065,4093503,Arsenic(III)sulfide,N/A,As2S3,246.023,0
Q425085,24860889,NIEMQBKCYCTFEI-PTUXOGIPSA-N,"2-[(2S,4R)-1-[(5S)-2,8-dimethylnon-1-en-3-yn-5-yl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetic acid",C25H32F3NO2,435.531,3
Q425165,455658,Hemin,"3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid;iron(3+);chloride",C34H32ClFeN4O4,651.949,0
Q425180,16685054,Aluminum carbide,alumanylidynemethyl(alumanylidynemethylalumanylidenemethylidene)alumane,C3Al4,143.959,0
Q425240,61489,Chromic potassium sulfate,potassium;chromium(3+);disulfate,CrKO8S2,283.206,0
Q425248,82233,Bismuth fluoride,trifluorobismuthane,BiF3,265.976,0
Q426524,5361323,Progabide,"4-[[(E)-(4-chlorophenyl)-(3-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]butanamide",C17H16ClFN2O2,334.775,0
Q426660,26009888,2-Amino-1-methylimidazol-4-ol,2-amino-1-methylimidazol-4-ol,C4H7N3O,113.12,0
Q426921,68827,Artemisinin,N/A,C15H22O5,282.336,7
Q470900,9566044,C.I. Acid Black 1,"disodium;(6Z)-4-amino-3-[(4-nitrophenyl)diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate",C22H14N6Na2O9S2,616.487,0
Q473546,14935,Ammonium bifluoride,azanium;fluoride;hydrofluoride,F2H5N,57.044,0
Q475631,5281771,Echinacoside,"[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate",C35H46O20,786.733,15
Q487064,11820788,"N-[(Z)-[4-(2,4-Dichlorophenyl)-3-isobutyl-thiazol-2-ylidene]amino]-2-pyrazin-2-yloxy-acetamide","N-[(Z)-[4-(2,4-dichlorophenyl)-3-(2-methylpropyl)-1,3-thiazol-2-ylidene]amino]-2-pyrazin-2-yloxyacetamide",C19H19Cl2N5O2S,452.354,0
Q498436,4386,Fenamic acid,2-anilinobenzoic acid,C13H11NO2,213.236,0
Q510113,11954380,GXSOIDVPIMWEQT-FQEVSTJZSA-N,N/A,C20H15N3O6,393.355,1
Q539395,442098,Tinyatoxin,N/A,C36H38O8,598.692,7
Q544393,11464175,WVPSKSLAZQPAKQ-SOSAQKQKSA-N,"7-[(1R,5S)-6-azaniumyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate",C20H15F3N4O3,416.36,2
Q554818,456297,Isepamicin,"(2S)-3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxypropanamide",C22H43N5O12,569.609,13
Q594482,10891641,Dichlorobis(cyclopentadienyl)zirconium,cyclopentane;dichlorozirconium,C10H10Cl2Zr,292.314,0
Q596946,9577452,Acid red 6A,"disodium;(8Z)-8-(naphthalen-1-ylhydrazinylidene)-7-oxonaphthalene-1,3-disulfonate",C20H12N2Na2O7S2,502.423,0
Q618730,40465,Aplysiatoxin,N/A,C32H47BrO10,671.622,0
Q620072,5288529,Heme-a,"3-[18-(2-carboxyethyl)-7-ethenyl-17-formyl-12-[(1S,4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienyl]-3,8,13-trimethylporphyrin-22,24-diid-2-yl]propanoic acid;iron(2+)",C49H56FeN4O6,852.854,1
Q620084,444098,Protoheme IX,"3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,23-diid-2-yl]propanoic acid;iron(2+)",C34H32FeN4O4,616.499,0
Q647580,10129902,ZINC;peroxide,zinc;peroxide,O2Zn,97.378,0
Q661724,6336603,Sodium phosphite,N/A,Na2O3P+,124.95,0
Q662425,11458,Melibiose,Gal(a1-6)b-Glc,C12H22O11,342.297,10
Q670450,102768,Diisopropyl tartrate,"dipropan-2-yl 2,3-dihydroxybutanedioate",C10H18O6,234.248,0
Q681387,10100751,VTAVFIZOZUAKKE-UHFFFAOYSA-K,"bismuth;3,4,5,6-tetrabromobenzene-1,2-diolate;hydroxide",C6HBiBr4O3,649.667,0
Q704923,25202532,CID 25202532,"(2-amino-4-oxo-6,7-disulfido-1,5,5a,8,9a,10-hexahydropyrano[3,2-g]pteridin-8-yl)methyl phosphate;dioxomolybdenum(2+)",C10H10MoN5O8PS2-2,519.261,0
Q706868,72416,Artemotil,N/A,C17H28O5,312.406,7
Q721202,6914694,3-Veratroylveracevine,N/A,C36H51NO11,673.8,14
Q722387,16667713,Tilmicosin,"(4R,5S,6S,7R,9R,11E,13Z,15R,16S)-6-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-7-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione",C46H80N2O13,869.147,19
Q739601,3884,Lapachol,"4-hydroxy-3-(3-methylbut-2-enyl)naphthalene-1,2-dione",C15H14O3,242.274,0
Q740439,442985,Solasodine,N/A,C27H43NO2,413.646,11
Q743705,16755631,Thymidine 5'-monophosphate,P-dThd,C10H13N2O8P-2,320.194,3
Q744577,82755,Hydroxytyrosol,"4-(2-hydroxyethyl)benzene-1,2-diol",C8H10O3,154.165,0
Q748200,238782,"5,7-Dihydroxyflavanone","5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one",C15H12O4,256.257,0
Q763802,6436724,Citranaxanthin,"(3E,5E,7E,9E,11E,13E,15E,17E,19E)-5,9,14,18-tetramethyl-20-(2,6,6-trimethylcyclohexen-1-yl)icosa-3,5,7,9,11,13,15,17,19-nonaen-2-one",C33H44O,456.714,0
Q778163,2341271,JFFFFTHRWWTHQA-UHFFFAOYSA-N,"6-[2-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one",C27H25N5O3S,499.589,0
Q779118,189821,Deflazacort,N/A,C25H31NO6,441.524,8
Q782318,5362420,Verteporfin,N/A,C41H42N4O8,718.807,2
Q794084,33184,Azoxymethane,methyl-methylimino-oxidoazanium,C2H6N2O,74.083,0
Q808801,44134924,Azanium;azane;chromium(3+);tetrathiocyanate,azanium;azane;chromium(3+);tetrathiocyanate,C4H10CrN7S4,336.409,0
Q833649,5940755,Biebrich scarlet,2-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-5-[(4-sulfophenyl)diazenyl]benzenesulfonic acid,C22H16N4O7S2,512.511,0
Q853845,18730,Fluorescein 5-isothiocyanate,"3',6'-dihydroxy-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one",C21H11NO5S,389.381,0
Q868435,15232,Penicillin G benzathine anhydrous,"N,N'-dibenzylethane-1,2-diamine;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",C48H56N6O8S2,909.13,6
Q886862,62333,Diethyl tartrate,"diethyl 2,3-dihydroxybutanedioate",C8H14O6,206.194,0
Q894130,139461,Trihydroxy boroxine,"2,4,6-trihydroxy-1,3,5,2,4,6-trioxatriborinane",B3H3O6,131.448,0
Q898299,16888,VVJKKKDJADMKNM-UHFFFAOYSA-O,"ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-(4-hydroxy-2-sulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-[(3-sulfophenyl)methyl]azanium",C37H37N2O10S3+,765.887,0
Q899416,637760,Chalcone,"(E)-1,3-diphenylprop-2-en-1-one",C15H12O,208.26,0
Q900922,10084135,Hydroxy-alpha-sanshool,"(2E,6Z,8E,10E)-N-(2-hydroxy-2-methylpropyl)dodeca-2,6,8,10-tetraenamide",C16H25NO2,263.381,0
Q900926,637866,Cyclooctatetraene,cyclooctatetraene,C8H8,104.152,0
Q903824,9571036,Moxidectin,N/A,C37H53NO8,639.83,9
Q904411,696140,CID 696140,"methyl (7R)-7-(4-ethoxy-3-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate",C16H19N5O4,345.359,1
Q904475,46936377,QTQAWLPCGQOSGP-GBTDJJJQSA-N,"[(3S,5R,6R,7R,8Z,10R,11R,12Z,14Z)-6-hydroxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate",C29H40N2O9,560.644,6
Q904599,24846002,Ristocetin,N/A,C94H108N8O44,2053.91,7
Q904668,8238,Desaspidin,"2-butanoyl-4-[(3-butanoyl-2,4-dihydroxy-6-methoxyphenyl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one",C24H30O8,446.496,0
Q905058,71932,Mesocarb,N-phenyl-N'-[3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-yl]carbamimidate,C18H18N4O2,322.368,0
Q905397,5281382,Mezerein,N/A,C38H38O10,654.712,11
Q905418,5282192,Sorivudine,"5-[(E)-2-bromoethenyl]-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",C11H13BrN2O6,349.137,4
Q907070,71906,Proligestone,N/A,C24H34O4,386.532,6
Q908742,11103,Hematoporphyrin,"3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid",C34H38N4O6,598.7,0
Q909387,6450823,Cipralisant,"5-[(1R,2R)-2-(5,5-dimethylhex-1-ynyl)cyclopropyl]-1H-imidazole",C14H20N2,216.328,2
Q909931,228398,2-Amino-5-(ethylamino)-5-oxopentanoic acid,2-amino-5-(ethylamino)-5-oxopentanoic acid,C7H14N2O3,174.2,0
Q909962,130932,Gliadorphin-7,H-Tyr-Pro-Gln-Pro-Gln-Pro-Phe-OH,C43H57N9O11,875.981,7
Q920725,10623,3-Acetyl-2-hydroxy-6-methylpyran-4-one,3-acetyl-2-hydroxy-6-methylpyran-4-one,C8H8O4,168.148,0
Q930170,23666110,Liothyronine sodium,"sodium;(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoate",C15H11I3NNaO4,672.959,1
Q937085,25195384,CID 25195384,"(3S)-3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-3-ylpropan-1-amine",C16H19ClN2,274.792,1
Q961081,9896814,IYVFNTXFRYQLRP-DHFYDZHKSA-N,"2-[3,4-bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one",C33H42O19,742.68,10
Q964482,54676478,Roquinimex,"4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide",C18H16N2O3,308.337,0
Q965955,123260,Bismuth pentafluoride,pentafluorobismuth,BiF5,303.972,0
Q988591,6440990,Ectocarpene,"(6R)-6-[(E)-but-1-enyl]cyclohepta-1,4-diene",C11H16,148.249,1
Q1014287,6391215,Cadmium arsenide,N/A,Cd3As2,487.085,0
Q1027605,31099,Formetanate,[3-(dimethylaminomethylideneamino)phenyl] N-methylcarbamate,C11H15N3O2,221.26,0
Q1033359,12788230,"5-(1,1-Dimethyloctyl)-2-(3-hydroxycyclohexyl)phenol",2-(3-hydroxycyclohexyl)-5-(2-methylnonan-2-yl)phenol,C22H36O2,332.528,0
Q1042313,9811564,Tris(dibenzylideneacetone) dipalladium,"(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium",C51H42O3Pd2,915.734,0
Q1047617,12309,Pent-1-yne,pent-1-yne,C5H8,68.119,0
Q1065083,62795,Acetorphine,N/A,C27H35NO5,453.579,3
Q1072477,53384373,MCEWYIDBDVPMES-UHFFFAOYSA-N,N/A,C72H14O2,910.902,0
Q1074417,5281647,Mangiferin,"1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one",C19H18O11,422.342,5
Q1076381,6450197,Oligomycin,"(5Z,7E,21E)-4-ethyl-11,12,15,19-tetrahydroxy-6'-(2-hydroxypropyl)-5',10,12,14,16,18,20,26,29-nonamethylspiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-oxane]-13,17,23-trione",C45H74O11,791.076,0
Q1087509,32520,Chromic chromate,chromium(3+);dioxido(dioxo)chromium,Cr5O12,451.969,0
Q1089190,11017510,Segphos,"[4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane",C38H28O4P2,610.586,0
Q1097932,5459896,Cykazine,"(Z)-methyl-oxido-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethylimino]azanium",C8H16N2O7,252.223,5
Q1101052,445569,3-Deoxy-alpha-D-manno-oct-2-ulopyranosonic acid,a-Kdo,C8H14O8,238.192,5
Q1104482,19601219,Cobalt(2+);disulfide,cobalt(2+);disulfide,CoS2-2,123.053,0
Q1111585,5370536,Piperic acid,"(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoic acid",C12H10O4,218.208,0
Q1241221,7418,M-Toluic acid,3-methylbenzoic acid,C8H8O2,136.15,0
Q1280166,44152182,Ecallantide,H-Glu-Ala-Met-His-Ser-Phe-Cys(1)-Ala-Phe-Lys-Ala-Asp-Asp-Gly-Pro-Cys(2)-Arg-Ala-Ala-His-Pro-Arg-Trp-Phe-Phe-Asn-Ile-Phe-aThr-Arg-Gln-Cys(3)-Glu-Glu-Phe-Ile-Tyr-Gly-Gly-Cys(2)-Glu-Gly-Asn-Gln-Asn-Arg-Phe-Glu-Ser-Leu-Glu-Glu-Cys(3)-Lys-Lys-Met-Cys(1)-aThr-Arg-Asp-OH,C305H442N88O91S8,7053.896,60
Q1281115,94358,Bstfa,"trimethylsilyl 2,2,2-trifluoro-N-trimethylsilylethanimidate",C8H18F3NOSi2,257.403,0
Q1306078,21871976,Vanadium(2+);bromide,vanadium(2+);bromide,BrV+,130.845,0
Q1318344,65720,Terizidone,"4-[[4-[(3-oxo-1,2-oxazolidin-4-yl)iminomethyl]phenyl]methylideneamino]-1,2-oxazolidin-3-one",C14H14N4O4,302.29,0
Q1371651,153974,Etoxazole,"4-(4-tert-butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole",C21H23F2NO2,359.417,0
Q1387655,170058,Copper fluoroborate,copper;ditetrafluoroborate,B2CuF8,237.153,0
Q1490162,69043,3-Nitrophthalic acid,N/A,C8H5NO6,211.129,0
Q1490748,24901693,OHLUERTUZNIQEE-GOSISDBHSA-N,N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-1-[(2R)-2-hydroxypropyl]-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide,C30H27FN4O5,542.567,1
Q1586727,5281539,CID 5281539,N/A,C27H34O9,502.56,8
Q1624428,61763,Iodine azide (dry),N/A,IN3,168.925,0
Q1630230,6540635,CID 6540635,N/A,C29H34O11,558.58,8
Q1786341,6327594,Selenourea,$l^{1}-selanylmethanimidamide,CH3N2Se,122.02,0
Q1810456,5353472,Carbadox,methyl N-[(E)-(1-hydroxy-4-oxidoquinoxalin-4-ium-2-ylidene)methyl]iminocarbamate,C11H10N4O4,262.225,0
Q1829318,60654,Dolasetron,N/A,C19H20N2O3,324.38,1
Q1890171,6477710,Manganese acetylacetonate,(Z)-4-hydroxypent-3-en-2-one;manganese(3+),C15H24MnO6+3,355.289,0
Q1890171,6477710,Manganese acetylacetonate,(Z)-4-hydroxypent-3-en-2-one;manganese(3+),C15H24MnO6+3,355.289,0
Q1890177,24199707,"Cyclopenta-1,3-diene;manganese","cyclopenta-1,3-diene;manganese",C10H2Mn-10,177.064,0
Q1932398,61136,"1,3-Butanediamine","butane-1,3-diamine",C4H12N2,88.154,0
Q1943387,25244471,CID 25244471,N/A,C55H70MgN4O6,907.492,4
Q1949486,130829,3-(2-((Dimethylamino)methyl)-1-hydroxycyclohexyl)phenol,3-[2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]phenol,C15H23NO2,249.354,0
Q1960495,6427062,Methionine enkephalin,H-D-Tyr-Gly-Gly-D-Phe-Met-OH,C27H35N5O7S,573.665,3
Q1969116,4985693,Cadmium;dihydroxy(dioxo)tungsten,cadmium;dihydroxy(dioxo)tungsten,CdH2O4W,362.266,0
Q1989071,70789200,Dirithromycin,"(1S,2R,4R,5R,6R,7R,8R,11R,12R,13S,15R,17R)-5-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-11-ethyl-4,12-dihydroxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-15-(2-methoxyethoxymethyl)-2,4,6,8,12,17-hexamethyl-10,14-dioxa-16-azabicyclo[11.3.1]heptadecan-9-one",C42H78N2O14,835.086,20
Q2008962,159251,Sodium palladium chloride,disodium;platinum(2+);tetrachloride,Cl4Na2Pt,382.864,0
Q2031142,142049,Hexamethyl tungsten,carbanide;tungsten,C6H18W-6,274.05,0
Q2033359,4105431,Anisodine,N/A,C17H21NO5,319.357,0
Q2044136,6931228,(E)-2-Cyano-3-(4-hydroxyphenyl)prop-2-enoate,(E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoate,C10H6NO3-,188.162,0
Q2064483,807,Iodine,molecular iodine,I2,253.809,0
Q2064889,3032570,RIVRCOOSXOIPAH-DWIKVQACSA-N,"1-[(8S,9S,10R,13S,14S,17S)-3,3-dihydroxy-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone",C21H32O3,332.484,6
Q2074372,3035296,Pseudoaconitine,N/A,C36H51NO12,689.799,0
Q2090740,16129646,"Sodium hypophosphite, NaH2PO2",N/A,H2NaO2P,87.978,0
Q2117581,11407876,KFVUSZPWUZBAPF-LKTZHPIXSA-N,"methyl (2S,4aR,6aR,7R,9S,10bR)-2-(furan-3-yl)-9-(methoxymethoxy)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate",C23H30O8,434.485,6
Q2118147,24873526,ICVTXAUKIHJDGV-WFOQEEKOSA-N,"methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-(ethoxymethoxy)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate",C24H32O8,448.512,7
Q2261930,2724243,Dibutylboranyl trifluoromethanesulfonate,dibutylboranyl trifluoromethanesulfonate,C9H18BF3O3S,274.105,0
Q2267471,9578507,Selamectin,N/A,C43H63NO11,769.973,14
Q2281857,6451481,Azocine,"(3Z,5Z,7Z)-azocine",C7H7N,105.14,0
Q2287905,8870,Aniline hydrochloride,aniline;hydrochloride,C6H8ClN,129.587,0
Q2288772,119216,"3-(4-Hydroxy-3,5-dimethoxyphenyl)prop-2-enal","3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal",C11H12O4,208.213,0
Q2315302,439517,Agaritine,(2S)-2-amino-5-[2-[4-(hydroxymethyl)phenyl]hydrazinyl]-5-oxopentanoic acid,C12H17N3O4,267.285,1
Q2357050,82874,Strontium telluride,tellanylidenestrontium,SrTe,215.22,0
Q2363204,441957,Ziziphin,N/A,C51H80O18,981.183,25
Q2370426,947,Nitrogen,molecular nitrogen,N2,28.014,0
Q2393155,2733710,Ethanol;tantalum,ethanol;tantalum,C10H30O5Ta,411.293,0
Q2406759,44151639,CID 44151639,"sodium;(2S)-2-(1,2-dicarboxylatoethylamino)butanedioate",C8H7NNaO8-3,268.133,1
Q2408443,6440936,Cinnamoylcocaine,"methyl (1S,3S,4R,5R)-8-methyl-3-[(E)-3-phenylprop-2-enoyl]oxy-8-azabicyclo[3.2.1]octane-4-carboxylate",C19H23NO4,329.396,4
Q2410205,7935,M-Phenylenediamine,"benzene-1,3-diamine",C6H8N2,108.144,0
Q2436886,19601218,Titanium(2+);trisulfide,titanium(2+);trisulfide,S3Ti-4,144.047,0
Q2482223,262961,Allopregnanolone,"1-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone",C21H34O2,318.501,0
Q2553496,441306,Netilmicin,"(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4-amino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-6-(ethylamino)-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol",C21H41N5O7,475.587,11
Q2570844,72057,Gadobutrol,"gallium;2-[4,10-bis(carboxylatomethyl)-7-[(2R,3S)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetate",C18H31GaN4O9,517.188,2
Q2581447,71124,Sulbutiamine,[4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-[[2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-(2-methylpropanoyloxy)pent-2-en-3-yl]disulfanyl]pent-3-enyl] 2-methylpropanoate,C32H46N8O6S2,702.89,0
Q2594649,7753,Methylhexaneamine,4-methylhexan-2-amine,C7H17N,115.22,0
Q2598317,1028,Prephenic acid,"1-(2-carboxy-2-oxoethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid",C10H10O6,226.184,0
Q2602246,50614,Cefotetan,"(7S)-7-[[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietane-2-carbonyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",C17H17N7O8S4,575.604,1
Q2616064,3650773,Chromium(2+);methanidylidynechromium,chromium(2+);methanidylidynechromium,Cr3C2,180.01,0
Q2622702,3084658,Metaphosphoric acid,N/A,HPO3,79.979,0
Q2629234,167661,Chlorineoxide (Cl2O3),N/A,Cl2O3,118.897,0
Q2629981,22023101,Copper;8-hydroxyquinoline-2-carboxylate,copper;8-hydroxyquinoline-2-carboxylate,C20H12CuN2O6,439.87,0
Q2631388,31014,"2,4,5-Trimethoxyamphetamine","1-(2,4,5-trimethoxyphenyl)propan-2-amine",C12H19NO3,225.288,0
Q2631392,38988464,"(2S)-1-(2,4,6-Trimethoxyphenyl)propan-2-amine","(2S)-1-(2,4,6-trimethoxyphenyl)propan-2-amine",C12H19NO3,225.288,1
Q2653981,9570225,Citrus red NO. 2,"(1Z)-1-[(2,5-dimethoxyphenyl)hydrazinylidene]naphthalen-2-one",C18H16N2O3,308.337,0
Q2657418,18344,Ferrous acetate,iron(2+);diacetate,C4H6FeO4,173.933,0
Q2657418,18344,Ferrous acetate,iron(2+);diacetate,C4H6FeO4,173.933,0
Q2669979,140592,3-Ethyl-2-methylpent-2-ene,3-ethyl-2-methylpent-2-ene,C8H16,112.216,0
Q2700587,6432458,Brassicasterin,"(3S)-17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol",C28H46O,398.675,1
Q2701649,68841,Dexfosfoserine,H-Ser(PO3H2)-OH,C3H8NO6P,185.072,1
Q2704449,5280492,Leukotriene B4,"(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid",C20H32O4,336.472,2
Q2705859,5280749,"(5S,6R,7E,9E,11Z,14Z)-6-[(2-Amino-2-carboxyethyl)sulfanyl]-5-hydroxyicosa-7,9,11,14-tetraenoic acid","(5S,6R,7E,9E,11Z,14Z)-6-(2-amino-2-carboxyethyl)sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid",C23H37NO5S,439.611,2
Q2706622,71920,Choline glycerophosphate,"[(2S)-2,3-dihydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate",C8H20NO6P,257.223,1
Q2709086,443198,Methyl-D-erythritol Phosphate,"[(2R,3S)-2,3,4-trihydroxy-3-methylbutyl] dihydrogen phosphate",C5H13O7P,216.126,2
Q2710669,83718,Hydroxy(trioxo)rhenium,hydroxy(trioxo)rhenium,HO4Re,251.211,0
Q2742455,13945,Deoxycytidine 5'-monophosphate,P-dCyd,C9H14N3O7P,307.199,3
Q2754775,16132418,Insulin aspart,H-Phe-Val-Asn-Gln-His-Leu-Cys-Gly-Ser-His-Leu-Val-Glu-Ala-Leu-Tyr-Leu-Val-Cys-Gly-Glu-Arg-Gly-Phe-Phe-Tyr-Thr-Asp-Lys-Thr-OH.H-Gly-Ile-Val-Glu-Gln-Cys-Cys-Thr-Ser-Ile-Cys-Ser-Leu-Tyr-Gln-Leu-Glu-Asn-Tyr-Cys-Asn-OH,C256H387N65O79S6,5831.648,52
Q2757844,70682647,CID 70682647,"trisodium;(4R,5S,6R)-2-[[(4R,5S,6R)-4-carboxylato-5-hydroxy-6-[(1R)-1-hydroxy-2-oxidoethyl]-2-oxo-1,3,2$l^{5}-dioxastibinan-2-yl]oxy]-6-[(1R)-1,2-dihydroxyethyl]-5-hydroxy-2-oxo-1,3,2$l^{5}-dioxastibinane-4-carboxylate;nonahydrate",C12H35Na3O26Sb2,907.875,8
Q2777979,5280389,Sterigmatocystin,N/A,C18H12O6,324.288,2
Q2790082,6456,Chlorotriphenylmethane,[chloro(diphenyl)methyl]benzene,C19H15Cl,278.779,0
Q2813787,7907,"2,4-Dimethylpentane","2,4-dimethylpentane",C7H16,100.205,0
Q2813821,23724628,CID 23724628,"S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (2S)-2-methylbutanethioate",C26H44N7O17P3S,851.651,5
Q2815978,11229,"Pentane,3,3-dimethyl-","3,3-dimethylpentane",C7H16,100.205,0
Q2816006,86182,"4,5-Dihydro-5-((4-(3-chlorophenyl)-1-piperazinyl)methyl)-2-oxazolamine","5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,3-oxazol-2-amine",C14H19ClN4O,294.783,0
Q2817111,451388,5-Methyl-UTP,"[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate",C10H17N2O15P3,498.166,4
Q2823201,5280673,2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioic acid,(Z)-2-amino-3-[(Z)-3-oxoprop-1-enyl]but-2-enedioic acid,C7H7NO5,185.135,0
Q2823204,469,2-Aminohexanedioic acid,H-DL-Aad-OH,C6H11NO4,161.157,0
Q2823219,99884,3-Methylpent-2-enedioic acid,3-methylpent-2-enedioic acid,C6H8O4,144.126,0
Q2823228,644350,"5,10-Methenyltetrahydrofolic acid","(2S)-2-[[4-[(6aR)-3-amino-1-oxo-5,6,6a,7-tetrahydro-4H-imidazo[1,5-f]pteridin-10-ium-8-yl]benzoyl]amino]-5-hydroxy-5-oxopentanoate",C20H21N7O6,455.431,2
Q2823250,25701,2-Amino-3-sulfopropanoic acid,H-DL-Cys(O3H)-OH,C3H7NO5S,169.151,0
Q2823286,441038,Muramic acid,Mur,C9H17NO7,251.235,5
Q2823302,5312493,"5,9,12-Octadecatrienoic acid","(5E,9E,12E)-octadeca-5,9,12-trienoic acid",C18H30O2,278.436,0
Q2823307,19855121,(Z)-N-[(4-Cyanoanilino)(cyclononylamino)methylidene]glycine,2-[[(4-cyanoanilino)-(cyclononylamino)methylidene]amino]acetic acid,C19H26N4O2,342.443,0
Q2823840,1995,Acetylleucine,2-acetamido-4-methylpentanoic acid,C8H15NO3,173.212,0
Q2850134,12306850,Anisatin,N/A,C15H20O8,328.317,8
Q2864430,8414,Arsthinol,"N-[2-hydroxy-5-[4-(hydroxymethyl)-1,3,2-dithiarsolan-2-yl]phenyl]acetamide",C11H14AsNO3S2,347.279,0
Q2912342,3086564,Tribendimidine,"N'-[4-[[4-[[4-[1-(dimethylamino)ethylideneamino]phenyl]iminomethyl]phenyl]methylideneamino]phenyl]-N,N-dimethylethanimidamide",C28H32N6,452.606,0
Q2930096,28558,2-Amino-3-(methylamino)propanoic acid,2-amino-3-(methylamino)propanoic acid,C4H10N2O2,118.136,0
Q2930105,2276,beta-Amanitin,N/A,C39H53N9O15S,919.961,0
Q2943814,6917674,Cefpirome,"(6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate",C22H22N6O5S2,514.575,2
Q2943815,5284530,Cefsulodin,"(6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[(2-phenyl-2-sulfoacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate",C22H20N4O8S2,532.542,2
Q2964153,6209,Choline chloride,2-hydroxyethyl(trimethyl)azanium;chloride,C5H14NO.Cl,139.623,0
Q2972710,90454,Cinchonine,"(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol",C19H22N2O,294.398,4
Q2985253,6391662,Antimony(III) selenide,selanylideneantimony;selenium,Sb2Se3,480.433,0
Q2993328,16132316,beta-Endorphin human,H-Tyr-Gly-Gly-Phe-Met-Thr-Ser-Glu-Lys-Ser-Gln-Thr-Pro-Leu-Val-Thr-Leu-Phe-Lys-Asn-Ala-Ile-Ile-Lys-Asn-Ala-Tyr-Lys-Lys-Gly-Glu-OH,C158H251N39O46S,3465.033,33
Q3007886,1201543,Cuscohygrine,1-[(2S)-1-methylpyrrolidin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-2-one,C13H24N2O,224.348,2
Q3008567,6432149,Cyclopropenylidene,"cyclopropa-1,2-diene",C3H2,38.049,0
Q3008637,11496052,Cyflumetofen,2-methoxyethyl 2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate,C24H24F3NO4,447.454,0
Q3011371,53597,Glufosinate-ammonium,azanium;2-amino-4-[hydroxy(methyl)phosphoryl]butanoate,C5H15N2O4P,198.159,0
Q3026455,11692,Bromotriphenylmethane,[bromo(diphenyl)methyl]benzene,C19H15Br,323.233,0
Q3026674,636081,"Benzo[1,2,3-bc:4,5,6-b'c']dicoronene",N/A,C48H20,596.688,0
Q3027893,783,Hydrogen,molecular hydrogen,H2,2.016,0
Q3028844,23236530,Difluoro(dioxo)xenon,difluoro(dioxo)xenon,F2O2Xe,201.288,0
Q3029787,23669634,Monopotassium glutamate,potassium;(2S)-2-amino-5-hydroxy-5-oxopentanoate,C5H8KNO4? H2O,185.22,1
Q3032708,467881,CID 467881,"2-[(4,5-dichloro-2-sulfanylbenzimidazol-1-yl)methoxy]propane-1,3-diol",C11H12Cl2N2O3S,323.188,0
Q3044728,65084,Gallocatechin,"(2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol",C15H14O7,306.27,2
Q3055852,30508,Amanine,N/A,C39H53N9O14S,903.962,0
Q3058085,3085218,Esmirtazapine,N/A,C17H19N3,265.36,1
Q3066718,23664719,Monosodium methylarsonate,sodium;hydroxy(methyl)arsinate,CH4AsNaO3,161.951,0
Q3077500,151297,CID 151297,5-(dihydroxyamino)-6-(methoxymethyl)-4-methyl-2-(methyldiazenyl)pyridine-3-carbonitrile,C10H13N5O3,251.246,0
Q3079150,3082052,Phosphoribosylamine,"[(2R,3S,4R)-5-amino-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate",C5H12NO7P,229.125,3
Q3080860,6436464,"Enanthotoxin, (+/-)-","(2E,8E,10E)-heptadeca-2,8,10-trien-4,6-diyne-1,14-diol",C17H22O2,258.361,0
Q3083814,5497157,CNWINRVXAYPOMW-FCNJXWMTSA-N,"[(2R)-1-[hydroxy-[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxy-3-octadecanoyloxypropan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate",C47H85O19P3,1047.099,7
Q3109285,10242,Vasicinone,"3-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one",C11H10N2O2,202.213,0
Q3132209,122280,"[(2R,3S,4R)-5-(2,6-Dioxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate",P-Xan-Ribf,C10H13N4O9P,364.207,3
Q3135017,11077325,Silver hexafluoroarsenate,silver;hexafluoroarsenic(1-),AgAsF6,296.78,0
Q3151476,439468,"Inositol 1,3,4,5,6-pentakisphosphate","[(1S,2R,4S,5R)-3-hydroxy-2,4,5,6-tetraphosphonooxycyclohexyl] dihydrogen phosphate",C6H17O21P5,580.05,4
Q3221490,20055421,ODEGQXRCQDVXSJ-YOEHRIQHSA-N,"[(3S,4S)-3-ethyl-1-methyl-4-phenylpiperidin-4-yl] propanoate",C17H25NO2,275.392,2
Q3243737,23509282,Tellurium;dichloride,tellurium;dichloride,Cl2Te-2,198.5,0
Q3266675,7725,P-Tolualdehyde,4-methylbenzaldehyde,C8H8O,120.151,0
Q3273019,54698642,JSRREMIKIHJGAA-JTQLQIEISA-N,"(6S)-2-[(3-chloro-4-fluorophenyl)methyl]-8-ethyl-10-hydroxy-N,6-dimethyl-1,9-dioxo-6,7-dihydropyrazino[5,6]pyrrolo[1,3-b]pyridazine-4-carboxamide",C21H21ClFN5O4,461.878,1
Q3276808,43714,Cymiazole,"N-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-imine",C12H14N2S,218.318,0
Q3277888,104826,Resiniferatoxin,N/A,C37H40O9,628.718,7
Q3277932,8335,3-[1-(Furan-2-yl)-3-oxobutyl]-2-hydroxychromen-4-one,3-[1-(furan-2-yl)-3-oxobutyl]-2-hydroxychromen-4-one,C17H14O5,298.294,0
Q3278962,9815339,"1,2-Naphthoquinone diazide",2-diazonionaphthalen-1-olate,C10H6N2O,170.171,0
Q3289067,66072,Sebacoyl chloride,decanedioyl dichloride,C10H16Cl2O2,239.136,0
Q3291707,8373,O-Toluic acid,2-methylbenzoic acid,C8H8O2,136.15,0
Q3315722,44564107,Mipomersen sodium,N/A,C230H305N67Na19O122P19S19,7594.764,70
Q3321280,101860484,Prop-2-ynylidyneoxidanium,prop-2-ynylidyneoxidanium,C3O,52.032,0
Q3333710,5311278,Methyllycaconitine,N/A,C37H50N2O10,682.811,13
Q3347765,10475633,Arterolane,N/A,C22H36N2O4,392.54,0
Q3351791,6918373,Oleoyl-estrone,"[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] (Z)-octadec-9-enoate",C36H54O3,534.825,4
Q3375145,61607,Strontium perchlorate,strontium;diperchlorate,Sr(ClO4)2,286.512,0
Q3381514,5462266,5'-Phosphoribosylformylglycinamidine,"[(2R,3S,4R,5R)-5-[(Z)-(1-amino-2-formamidoethylidene)amino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate",C8H16N3O8P,313.203,4
Q3388802,73399,Pinoresinol,"4-[(3S,3aR,6S,6aR)-6-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol",C20H22O6,358.39,4
Q3410841,16129869,Punicalagin,N/A,C48H28O30,1084.722,0
Q3429576,65211,Rhodamine 6G cation,"[9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethylxanthen-3-ylidene]-ethylazanium",C28H31N2O3+,443.567,0
Q3469748,5359280,Salicylaldoxime,"(6E)-6-[(hydroxyamino)methylidene]cyclohexa-2,4-dien-1-one",C7H7NO2,137.138,0
Q3487584,216469,5-Chloro-N-ethyl-2-hydroxy-1-methyl-4-oxo-N-phenylquinoline-3-carboxamide,5-chloro-N-ethyl-2-hydroxy-1-methyl-4-oxo-N-phenylquinoline-3-carboxamide,C19H17ClN2O3,356.806,0
Q3512695,9876840,Antamanide,cyclo[Ala-Phe-Phe-Pro-Pro-Phe-Phe-Val-Pro-Pro],C64H78N10O10,1147.388,10
Q3517399,6369653,Antimony telluride,tellanylideneantimony;tellurium,Sb2Te3,626.32,0
Q3529346,33776,Tirapazamine,"4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-imine",C7H6N4O2,178.151,0
Q3560768,14648287,Curium hydroxide,curium;trihydroxide,CmH3O3-3,298.091,0
Q3570564,121887,Xanthosine 5'-(tetrahydrogen triphosphate),"[[(2R,3S,4R)-5-(2,6-dioxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate",C10H15N4O15P3,524.164,3
Q3592644,71637,Ethybenztropine,"(1R,5R)-3-benzhydryloxy-8-ethyl-8-azabicyclo[3.2.1]octane",C22H27NO,321.464,2
Q3596763,7243,O-Phenylenediamine,"benzene-1,2-diamine",C6H8N2,108.144,0
Q3597992,7105,"2,5-Diphenyloxazole","2,5-diphenyl-1,3-oxazole",C15H11NO,221.259,0
Q3599478,156147,IXZUPBUEKFXTSD-UHFFFAOYSA-N,"4-(6,7-dihydroxy-3,7-dimethyloct-2-enoxy)furo[3,2-g]chromen-7-one",C21H24O6,372.417,0
Q3604267,152122,Dirhodium tetraacetate,rhodium(2+);tetraacetate,C8H12O8Rh2,441.987,0
Q3604498,3083542,Ajulemic acid,"(6aR,10aR)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid",C25H36O4,400.559,2
Q3604516,44153559,CID 44153559,"5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid",C16H22O11,390.341,5
Q3607822,5489474,C27H26F3N5O5.CH4O3S,"7-[(1S,5R)-6-[[(2S)-1-[[(2S)-2-aminopropanoyl]amino]-1-oxopropan-2-yl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;methanesulfonic acid",C27H29F3N6O8S,654.618,4
Q3629883,44144564,CID 44144564,sodium;gold(1+);2-hydroxy-3-sulfanylpropane-1-sulfonic acid,C3H8AuNaO4S2+2,392.169,0
Q3637333,3007984,Beauvericin,cyclo[D-OVal-N(Me)Phe-D-OVal-N(Me)Phe-D-OVal-N(Me)Phe],C45H57N3O9,783.963,6
Q3641126,9576626,"Trisodium 3-hydroxy-4-((2-hydroxy-4-sulphonato-1-naphthyl)azo)naphthalene-2,7-disulphonate","trisodium;3-hydroxy-4-[(2Z)-2-(2-oxo-4-sulfonatonaphthalen-1-ylidene)hydrazinyl]naphthalene-2,7-disulfonate",C20H11N2Na3O11S3,620.46,0
Q3655600,656614,CID 656614,"potassium;3-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoate",C22H29KO4,396.568,6
Q3680915,10023463,YTJIBEDMAQUYSZ-YNAZYXNTSA-N,"(9S,10R,11S,13S,14S,17R)-6-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one",C21H25ClO5,392.876,6
Q3706873,470999,Dibekacin,"(2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol",C18H37N5O8,451.521,13
Q3757667,16682999,Bismuth subgallate,"4-hydroxy-1,3,2$l^{2}-benzodioxabismole-6-carboxylic acid;hydrate",C7H6BiO6,395.099,0
Q3757667,16682999,Bismuth subgallate,"4-hydroxy-1,3,2$l^{2}-benzodioxabismole-6-carboxylic acid;hydrate",C7H6BiO6,395.099,0
Q3801359,3086674,Ioflupane I-123,"methyl (1S,3S,4S,5R)-8-(3-fluoropropyl)-3-(4-iodanylphenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate",C18H23FINO2,427.291,4
Q3814656,107971,Daidzin,"3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one",C21H20O9,416.382,5
Q3817447,23736,Dimethylpropiothetin,3-dimethylsulfoniopropanoate,(CH3)2S(+)CH2CH2COO(?),134.193,0
Q3825917,11393311,HU-331,"3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylcyclohexa-2,5-diene-1,4-dione",C21H28O3,328.452,2
Q3831365,200742,Levopropoxyphene,"[(2R,3S)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate",C22H29NO2,339.479,2
Q3832015,133021,Licofelone,"2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetic acid",C23H22ClNO2,379.884,0
Q3837481,444025,Loteprednol etabonate,"chloromethyl (8S,9S,10R,11S,13S,14S,17R)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate",C24H31ClO7,466.955,7
Q3915149,164619,Methylinositol,"(1S,2S,4S,5R)-6-methoxycyclohexane-1,2,3,4,5-pentol",C7H14O6,194.183,4
Q3927866,14431,Estriol cyclopentyl ether,"(16R,17R)-3-cyclopentyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol",C23H32O3,356.506,2
Q3935171,5281744,Riddelline,N/A,C18H23NO6,349.383,3
Q3940320,54682938,Rolitetracycline,"(4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-N-(pyrrolidin-1-ylmethyl)-4,4a,5,5a-tetrahydrotetracene-2-carboxamide",C27H33N3O8,527.574,5
Q3961291,176455,Simonellite,"1,1-dimethyl-7-propan-2-yl-3,4-dihydro-2H-phenanthrene",C19H24,252.401,0
Q3973521,241572,Stigmastanol,"(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol",C29H52O,416.734,10
Q3979404,44144539,Astramembrangenin,N/A,C30H50O5,490.725,9
Q3980350,5373,SOROUYSPFADXSN-UHFFFAOYSA-N,"(3-oxo-1H-2-benzofuran-1-yl) 6-[(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",C24H23N3O6S,481.523,0
Q3985292,70186,Tetraphenylporphyrin,"5,10,15,20-tetraphenyl-21,22-dihydroporphyrin",C44H30N4,614.752,0
Q3991659,72147,3-[3-(4-Chlorophenyl)-1-(5-chlorothiophen-2-yl)-3-hydroxypropyl]-2-hydroxychromen-4-one,3-[3-(4-chlorophenyl)-1-(5-chlorothiophen-2-yl)-3-hydroxypropyl]-2-hydroxychromen-4-one,C22H16Cl2O4S,447.326,0
Q4024215,33534,Zeranol,"(11S)-7,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one",C18H26O5,322.401,1
Q4041747,44397540,2-(2-Methoxyphenyl)-1-(1-pentylindol-3-yl)ethanone,2-(2-methoxyphenyl)-1-(1-pentylindol-3-yl)ethanone,C22H25NO2,335.447,0
Q4044797,12051,"N,N-Diethylformamide","N,N-diethylformamide",C5H11NO,101.149,0
Q4068819,3328704,2-[2-(2-Amino-5-carbamimidamidopentanamido)acetamido]butanedioic acid,H-DL-Arg-Gly-DL-Asp-OH,C12H22N6O6,346.344,0
Q4117486,92776,Zingiberene,"(5R)-2-methyl-5-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene",C15H24,204.357,2
Q4119810,16212529,Calcium hexaboride,N/A,CaB6,104.938,0
Q4122197,82400,"alpha-D-Glucose 1,6-bisphosphate","[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl] dihydrogen phosphate",C6H14O12P2,340.114,5
Q4132745,400772,Halofuginone,"7-bromo-6-chloro-3-[3-[(2S,3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one",C16H17BrClN3O3,414.684,2
Q4138050,83606,Strontium dihydride,strontium;hydride,H2Sr,89.636,0
Q4138107,25026995,Nickel;hydroxide,nickel;hydroxide,HNiO-,75.7,0
Q4161099,6336857,Boron; hafnium,boron;hafnium,B2Hf,200.11,0
Q4161299,22450701,Cobalt(2+);hydride,cobalt(2+);hydride,CoH2,60.949,0
Q4163873,19877937,Mesitylgold,"gold(1+);1,3,5-trimethylbenzene-6-ide",C9H11Au,316.154,0
Q4177124,8950,Disodium hydrogen citrate,disodium;3-carboxy-3-hydroxypentanedioate,"C6H6O7Na2?1,5H2O",236.087,0
Q4332794,13725980,Chloro hypochlorite;hafnium,chloro hypochlorite;hafnium,Cl2HfO,265.389,0
Q4337000,18320455,DL-Ornithino-L-alanine,2-amino-5-[(2-amino-2-carboxyethyl)amino]pentanoic acid,C8H17N3O4,219.241,0
Q4348637,25113386,ZFRNSGNJMJAUMG-UHFFFAOYSA-N,boranylidyne($l^{2}-boranylidene)tungsten;boranylidynetungsten;$l^{2}-boranylideneboron,B5W2,421.73,0
Q4352981,5745725,Acetylisocodeine,"[(4R,4aR,7R,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl] acetate",C20H23NO4,341.407,5
Q4353536,5488907,Pseudomorphine,"(4R,4aR,7S,7aR,12bS)-10-[(4R,4aR,7S,7aR,12bS)-7,9-dihydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-10-yl]-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol",C34H36N2O6,568.67,10
Q4353551,5483111,Calmagite,(4Z)-4-[(2-hydroxy-5-methylphenyl)hydrazinylidene]-3-oxonaphthalene-1-sulfonic acid,C17H14N2O5S,358.368,0
Q4391972,11954679,(R)-Telomestatin,N/A,C26H14N8O7S,582.507,1
Q4392082,5486172,HKEAFJYKMMKDOR-YWFAZRBLSA-N,"7-hydroxy-3-(4-hydroxyphenyl)-8-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one",C21H20O9,416.382,4
Q4445816,6365199,Radium sulfate,radium;sulfate,O4RaS-2,322.081,0
Q4445834,82959,Sulfanylidenevanadium,sulfanylidenevanadium,SV,83.001,0
Q4445835,9815563,Vanadium;trisulfide,vanadium;trisulfide,S3V2-6,198.063,0
Q4445833,83605,Beryllium sulphide,sulfanylideneberyllium,BeS,41.072,0
Q4445847,6390517,Sulfanylideneindium,sulfanylideneindium,InS,146.878,0
Q4445860,82957,Niobium sulphide,sulfanylideneniobium,NbS,124.966,0
Q4445872,82864,Bis(sulfanylidene)rhenium,bis(sulfanylidene)rhenium,ReS2,250.327,0
Q4454241,6914517,Copper telluride,copper;tellurium,Cu2Te,254.692,0
Q4462924,3113817,Riamilovir,"7-methylsulfanyl-3-nitro-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one",C5H4N6O3S,228.186,0
Q4463083,6148,Trimeperidine,"[(2S,5R)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] propanoate",C17H25NO2,275.392,2
Q4491065,53488001,1-(4-Fluorophenyl)-2-(methylamino)-1-propanone Hydrochloride,1-(4-fluorophenyl)-2-(methylamino)propan-1-one;hydrochloride,C10H13ClFNO,217.668,0
Q4498205,522634,Chlorohydrogen,N/A,ClH,37.464,0
Q4498205,522634,Chlorohydrogen,N/A,ClH,37.464,0
Q4498226,83468,Osmium trichloride,trichloroosmium,Cl3Os,296.58,0
Q4499058,16213,2-Hydroxybenzoate;2-hydroxyethyl(trimethyl)azanium,2-hydroxybenzoate;2-hydroxyethyl(trimethyl)azanium,C12H19NO4,241.287,0
Q4505497,61358,Cupric cyanide,copper;dicyanide,C2CuN2,115.582,0
Q4544860,9807779,(S)-(-)-2-[2-(Diphenylphosphino)phenyl]-4-isopropyl-2-oxazoline,"diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane",C24H24NOP,373.436,1
Q4545648,440308,"1,2,6-Trikis-O-galloyl-beta-D-glucose","[(2R,3S,4S,5R,6S)-3,4-dihydroxy-5,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate",C27H24O18,636.471,5
Q4545730,24887519,PBEBNQYLOCTQOU-UHFFFAOYSA-N,"4-(3,4-dichlorophenyl)-1-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-2H-pyrrol-5-one",C23H24Cl2N2O4,463.355,0
Q4545805,579094,17-Hydroxyandrost-1-en-3-one,"17-hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",C19H28O2,288.431,0
Q4545828,142022,[1.1.1]Propellane,N/A,C5H6,66.103,0
Q4553714,44325016,CID 44325016,N/A,C22H29N3O2,367.493,2
Q4586731,65034,Ethylbenzoylecgonine,"ethyl (3S,4R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate",C18H23NO4,317.385,2
Q4596737,84924,Azobisisobutyramidinium dichloride,2-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;hydrochloride,C8H19ClN6,234.732,0
Q4596759,324101,"1,4,5,7-Tetrahydroxynaphthalene-2,3-dione","1,4,5,7-tetrahydroxynaphthalene-2,3-dione",C10H6O6,222.152,0
Q4596757,10444193,"2,3,5,6,8-Pentahydroxy-1,4-naphthalenedione","4,5,6,7,8-pentahydroxynaphthalene-1,2-dione",C10H6O7,238.151,0
Q4596778,69175,"2,4-Dimethoxybenzaldehyde","2,4-dimethoxybenzaldehyde",C9H10O3,166.176,0
Q4596787,14201982,"1-[4-(2-Fluoroethyl)-2,5-dimethoxyphenyl]propan-2-amine","1-[4-(2-fluoroethyl)-2,5-dimethoxyphenyl]propan-2-amine",C13H20FNO2,241.306,0
Q4596785,181581,"3-(2,5-Dihydroxyphenyl)prop-2-enoic acid","3-(2,5-dihydroxyphenyl)prop-2-enoic acid",C9H8O4,180.159,0
Q4596815,5488034,Photochlor,N/A,C39H48N4O4,636.837,2
Q4596899,10070278,OLFXZBDPKBSIPG-XOTQYVTCSA-N,N/A,C24H32N2O4,412.53,2
Q4596915,31225,Phenethyl propionate,2-phenylethyl propanoate,C11H14O2,178.231,0
Q4596979,564666,"Tricyclo[2.2.2.01,4]octane",N/A,C8H12,108.184,0
Q4634059,44296390,"3,4-Dichloromethylphenidate","methyl (2R)-2-(3,4-dichlorophenyl)-2-[(2R)-piperidin-2-yl]acetate",C14H17Cl2NO2,302.195,2
Q4634071,547,"3,4-Dihydroxyphenylacetic acid","2-(3,4-dihydroxyphenyl)acetic acid",C8H8O4,168.148,0
Q4634079,559375,"1-(1,3-Benzodioxol-5-yl)-N-propylpropan-2-amine","1-(1,3-benzodioxol-5-yl)-N-propylpropan-2-amine",C13H19NO2,221.3,0
Q4634076,3057996,"1-(1,3-Benzodioxol-5-yl)-N-propan-2-ylpropan-2-amine","1-(1,3-benzodioxol-5-yl)-N-propan-2-ylpropan-2-amine",C13H19NO2,221.3,0
Q4634142,53415330,3-Flephedrone,1-(3-fluorophenyl)-2-(methylamino)propan-1-one,C10H12FNO,181.21,0
Q4636226,44350137,"3,5-Dimethoxy-4-ethoxy-amphetamine","1-(4-ethoxy-3,5-dimethoxyphenyl)propan-2-amine",C13H21NO3,239.315,0
Q4637034,126112,4'-Fluorococaine,"methyl (1S,3S,4R,5R)-3-(4-fluorobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate",C17H20FNO4,321.348,4
Q4637036,4195243,"6-(Hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,5-triol",Hex(?1-3)Hex,C12H22O11,342.297,0
Q4637047,92938,Azobis(cyanovaleric acid),4-[(4-carboxy-2-cyanobutan-2-yl)diazenyl]-4-cyanopentanoic acid,C12H16N4O4,280.284,0
Q4637054,15333368,OWPQEEJZQLEILY-UHFFFAOYSA-N,"bis(4-nitro-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)diazene",C4N8O8,288.092,0
Q4637178,44296147,(R)-Methyl 2-((R)-piperidin-2-yl)-2-p-tolylacetate,methyl (2R)-2-(4-methylphenyl)-2-[(2R)-piperidin-2-yl]acetate,C15H21NO2,247.338,2
Q4637180,43566024,1-(4-Methylphenyl)butan-2-amine,1-(4-methylphenyl)butan-2-amine,C11H17N,163.264,0
Q4639568,192601,"1-(2,3-Dihydro-1-benzofuran-5-yl)propan-2-amine","1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-amine",C11H15NO,177.247,0
Q4639588,2762738,"2-(5-Fluoro-1H-indol-3-yl)-N,N-dimethylethanamine","2-(5-fluoro-1H-indol-3-yl)-N,N-dimethylethanamine",C12H15FN2,206.264,0
Q4639622,417608,"5-Methoxy-N,N-diethyltryptamine","N,N-diethyl-2-(5-methoxy-1H-indol-3-yl)ethanamine",C15H22N2O,246.354,0
Q4639640,11299620,"6-Dipropylamino-5,6,7,8-tetrahydro-naphthalen-1-ol","(6S)-6-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol",C16H25NO,247.382,1
Q4641512,239425,5alpha-Androst-2-en-17-one,"10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one",C19H28O,272.432,0
Q4641536,11957483,R(+)-6-Bromo-APB hydrobromide,"(5R)-9-bromo-5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol;hydrobromide",C19H21Br2NO2,455.19,1
Q4642856,46782432,6%7CA-Naltrexol-d4,"(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-6,6,7,7a-tetradeuterio-2,4,5,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol",C20H25NO4,347.447,5
Q4642864,483168,(7R)-3-(Acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,(7R)-3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,C10H12N2O5S,272.275,1
Q4642874,203125,FAIFRACTBXWXGY-WLARPWFJSA-N,N/A,C31H37NO4,487.64,6
Q4642883,5487084,YJWDKWRVFJZBCJ-UOMUIJFFSA-N,"(4S,4aS,7aR)-4a,9-dihydroxy-3-methylspiro[1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-6,2'-1,3-dihydroindene]-7-one",C25H25NO4,403.478,3
Q4646882,9794141,3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridine,3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine,C11H16N2O,192.262,1
Q4646883,6603703,A-77636 Hydrochloride,"(1R,3S)-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol",C20H27NO3,329.44,2
Q4650413,39220800,(3S)-1-Pyridin-3-ylpyrrolidin-3-amine,(3S)-1-pyridin-3-ylpyrrolidin-3-amine,C9H13N3,163.224,1
Q4650970,173526,1-(3-Methyl-2-butenyl)-4-(2-(3-hydroxyphenyl)-1-phenylethyl)piperazine,3-[2-[4-(3-methylbut-2-enyl)piperazin-1-yl]-2-phenylethyl]phenol,C23H30N2O,350.506,0
Q4652479,9929889,(1-((1-Methylpiperidin-2-yl)methyl)-1H-indol-3-yl)(naphthalen-1-yl)methanone,[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-naphthalen-1-ylmethanone,C26H26N2O,382.507,0
Q4652482,11604318,GSXIFTVLUKMIBO-UHFFFAOYSA-N,[1-[(1-methylpiperidin-2-yl)methyl]-6-nitroindol-3-yl]-naphthalen-1-ylmethanone,C26H25N3O3,427.504,0
Q4652498,44627267,AM-679,"3-[5-[[(2S)-1-acetyl-2,3-dihydroindol-2-yl]methoxy]-3-tert-butylsulfanyl-1-[[4-(5-methoxypyrimidin-2-yl)phenyl]methyl]indol-2-yl]-2,2-dimethylpropanoic acid",C40H44N4O5S,692.875,1
Q4673057,636372,Aceglatone,"[(3R,3aS,6S,6aS)-6-acetyloxy-2,5-dioxo-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-3-yl] acetate",C10H10O8,258.182,4
Q4673300,91545,KIOXJNPWRPISHM-UHFFFAOYSA-N,"[6-[6-[[6-[[12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxyoxan-2-yl]methoxy]-4-hydroxy-2-methyloxan-3-yl]oxy-3-hydroxy-2-methyloxan-4-yl] acetate",C43H66O15,822.986,0
Q4673314,625177,3-Acetylhydromorphone,"(3-methyl-7-oxo-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-9-yl) acetate",C19H21NO4,327.38,0
Q4674073,451476,Acid fuchsin,"disodium;6-azaniumylidene-3-[bis(4-amino-3-sulfonatophenyl)methylidene]-5-methylcyclohexa-1,4-diene-1-sulfonate",C20H17N3Na2O9S3,585.528,0
Q4674080,23722700,Acid red 88,sodium;4-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]naphthalene-1-sulfonate,C20H13N2NaO4S,400.384,0
Q4674081,23682006,D&C Orange NO. 4,sodium;4-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonate,C16H11N2NaO4S,350.324,0
Q4674302,42474,Aclarubicin,"methyl (1R,2R,4S)-4-[(2R,5S,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate",C42H53NO15,811.878,12
Q4676694,5717413,Magneson,"(4E)-3-hydroxy-4-[(4-nitrophenyl)hydrazinylidene]cyclohexa-2,5-dien-1-one",C12H9N3O4,259.221,0
Q4677960,44559699,Acutissimin A,N/A,C56H38O31,1206.889,7
Q4680659,60732,Adaprolol,2-(1-adamantyl)ethyl 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetate,C26H39NO4,429.601,0
Q4682573,9963735,Adhyperforin,"2-hydroxy-6-methyl-5-(2-methylbutanoyl)-1,3,7-tris(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)bicyclo[3.3.1]non-2-ene-4,9-dione",C36H54O4,550.824,0
Q4691976,11169518,Ageliferin,"N-[[(5S,6R,7R)-2-amino-7-(2-amino-1H-imidazol-5-yl)-6-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methyl]-4-bromo-1H-pyrrole-2-carboxamide",C22H24Br2N10O2,620.31,3
Q4701917,6441511,Akuammine,N/A,C22H26N2O4,382.46,2
Q4705902,16132042,Alamethicin,Ac-Aib-Pro-Aib-Ala-Aib-Ala-Gln-Aib-Val-Aib-Gly-Leu-Aib-Pro-Val-Aib-Aib-Glu-Gln-Phe-ol,C92H150N22O25,1964.341,11
Q4708928,5486654,Alazopeptin,(Z)-6-[[(Z)-1-carboxy-5-diazonio-4-oxidopent-4-enyl]amino]-1-diazonio-6-oxo-5-(prop-2-enylamino)hex-1-en-2-olate,C15H20N6O5,364.362,0
Q4716536,222178,Aleuritic acid,"(9R,10S)-9,10,16-trihydroxyhexadecanoic acid",C16H32O5,304.427,2
Q4721853,71680,Alfadolone,"(3R,5S,9S,14S)-3-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one",C21H32O4,348.483,4
Q4732178,72090,OSQIRUUENNTOQL-MWFGDBNCSA-N,N/A,C27H35NO4,437.58,1
Q4734058,178132,Alnespirone,"8-[4-[[(3S)-5-methoxy-3,4-dihydro-2H-chromen-3-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione",C26H38N2O4,442.6,1
Q4734921,196402,alpha-Viniferin,N/A,C42H30O9,678.693,6
Q4735601,154279,Alpinetin,"(2S)-7-hydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one",C16H14O4,270.284,1
Q4736748,6604323,VGLGVJVUHYTIIU-LLVKDONJSA-N,"(3R)-6-chloro-1,1-dioxo-3-(prop-2-enylsulfanylmethyl)-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide",C11H14ClN3O4S3,383.88,1
Q4737376,6328223,QVVDROIWNCZMQS-UHFFFAOYSA-N,aluminum;2-(4-chlorophenoxy)-2-methylpropanoic acid;hydrate,C20H24AlCl2O7,474.287,0
Q4737382,16212552,Aluminum dodecaboride,"aluminum;1,2,3,4,5,6,7,8,9,10,11,12-dodecaboracyclododecahexaene",AlB12,156.702,0
Q4737384,16683036,Dihydroxyaluminum aminoacetate,(2-aminoacetyl)oxyaluminum;dihydrate,C2H8AlNO4,137.071,0
Q4737395,16098,Niacin aluminum,aluminum;pyridine-3-carboxylate,C18H12AlN3O6,393.291,0
Q4745975,21759,Amfecloral,"2,2,2-trichloro-N-(1-phenylpropan-2-yl)ethanimine",C11H12Cl3N,264.574,0
Q4746184,71221,Amiflamine,"4-[(2S)-2-aminopropyl]-N,N,3-trimethylaniline",C12H20N2,192.306,1
Q4747075,11354874,Amlodipine mixture with valsartan,"3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate;(2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid",C44H54ClN7O8,844.407,1
Q4748447,656676,CVMHBXYXKYUCML-UBWQYZJSSA-L,"disodium;(2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",C24H28N4Na2O9S2,626.607,6
Q4748577,23483,Ampyzine,"N,N-dimethylpyrazin-2-amine",C6H9N3,123.159,0
Q4748994,5318156,Amurensin,"3,5-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one",C26H30O12,534.514,5
Q4759444,5318517,Andrographolide,"(3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one",C20H30O5,350.455,6
Q4764702,166550,Anilopam,"4-[2-(7-methoxy-4-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]aniline",C20H26N2O,310.441,0
Q4774534,6325617,beta-Antiarin,"(3S,5S,8R,9S,10S,12R,13S,14S,17R)-5,12,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde",C29H42O11,566.644,14
Q4779987,6440763,Aplindore fumarate,"(2S)-2-[(benzylamino)methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one;(E)-but-2-enedioic acid",C22H22N2O7,426.425,1
Q4782227,15945058,ALEQYOXVXJKFOM-MKKAWSSWSA-N,"(8S,9R)-9-hydroxy-8-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-8,9-dihydrofuro[2,3-h]chromen-2-one",C20H24O10,424.402,2
Q4789030,10051,"12-Oxo-3-beta,11-alpha,14-trihydroxy-5-beta-bufa-20,22-dienolide","5-[(3S,5R,10S,11S,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethyl-12-oxo-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one",C24H32O6,416.514,7
Q4790694,208924,Arimoclomol,N-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-1-oxidopyridin-1-ium-3-carboximidoyl chloride,C14H20ClN3O3,313.782,1
Q4797402,10341948,Artelinic acid,N/A,C23H30O7,418.486,8
Q4807670,5484128,Asoxime chloride,[(Z)-[1-[(4-carbamoylpyridin-1-ium-1-yl)methoxymethyl]pyridin-2-ylidene]methyl]-oxoazanium;dichloride,C14H16Cl2N4O3,359.207,0
Q4807880,73679,Hydroxyaspergillic acid,1-hydroxy-6-(2-hydroxybutan-2-yl)-3-(2-methylpropyl)pyrazin-2-one,C12H20N2O3,240.303,0
Q4811191,5282102,Astragalin,"5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one",C21H20O11,448.38,5
Q4811598,65345,Astromicin,"2-amino-N-[(1S,2R,3R,4S,5S,6R)-4-amino-3-[(2R,3R,6S)-3-amino-6-(1-aminoethyl)oxan-2-yl]oxy-2,5-dihydroxy-6-methoxycyclohexyl]-N-methylacetamide",C17H35N5O6,405.496,9
Q4828930,16132300,Aviptadil,H-His-Ser-Asp-Ala-Val-Phe-Thr-Asp-Asn-Tyr-Thr-Arg-Leu-Arg-Lys-Gln-Met-Ala-Val-Lys-Lys-Tyr-Leu-Asn-Ser-Ile-Leu-Asn-OH,C147H237N43O43S,3326.831,31
Q4832247,6433185,Azaprocin,"1-[3-[(E)-3-phenylprop-2-enyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one",C18H24N2O,284.403,0
Q4832281,5284344,Azaserine,(E)-1-[(2S)-2-amino-2-carboxyethoxy]-2-diazonioethenolate,C5H7N3O4,173.128,1
Q4834702,16078952,WDJDFFUFZOPSJA-MRVPVSSYSA-N,"1-(2-chlorophenyl)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one",C15H12ClF3N4O,356.733,1
Q4836836,10025998,LBLDMHBSVIVJPM-SWYRRKHMSA-N,"4-[(S)-[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide",C27H37N3O2,435.612,3
Q4841341,6436223,Bafilomycin A1,"(3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-[(2S,3R,4S)-4-[(2R,4R,5S,6R)-2,4-dihydroxy-5-methyl-6-propan-2-yloxan-2-yl]-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one",C35H58O9,622.84,12
Q4859770,443504,"(4R,5S,6S)-4-Methoxy-4,6-dimethyloxane-2,5-diol","(4R,5S,6S)-4-methoxy-4,6-dimethyloxane-2,5-diol",C8H16O4,176.212,3
Q4860707,44205240,Baricitinib,"2-[1-ethylsulfonyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile",C16H17N7O2S,371.419,0
Q4864613,5310986,"(2S)-2-Amino-2-(3,4-dihydroxyphenyl)acetic acid","(2S)-2-amino-2-(3,4-dihydroxyphenyl)acetic acid",C8H9NO4,183.163,1
Q4885099,671690,Bemesetron,"[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,5-dichlorobenzoate",C15H17Cl2NO2,314.206,2
Q4887561,2316,Benexate,benzyl 2-[4-[(diaminomethylideneamino)methyl]cyclohexanecarbonyl]oxybenzoate,C23H27N3O4,409.486,0
Q4890795,9859674,N-a-Dipropyl-2-benzofuranethanamine,1-(1-benzofuran-2-yl)-N-propylpentan-2-amine,C16H23NO,245.366,0
Q4890804,473368,"2H-1,2,4-Benzothiadiazine","2H-1,2,4-benzothiadiazine",C7H6N2S,150.199,0
Q4891024,10170,Berbamine,N/A,C37H40N2O6,608.735,0
Q4903628,47953,Bicifadine,1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane,C12H15N,173.259,0
Q4918616,6436111,"(3E)-N,N-Dimethyl-3-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine","(3E)-N,N-dimethyl-3-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine",C17H19NS2,301.466,0
Q4938924,9835303,Bolandiol,"(3S,8R,9S,10R,13S,14S,17S)-13-methyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol",C18H28O2,276.42,7
Q4941885,25463,"(6R,17S)-20-(Carboxymethyl)-6-methoxy-2,5,17-trimethyldocosa-2,4,8,10,14,18,20-heptaenedioic acid","(6R,17S)-20-(carboxymethyl)-6-methoxy-2,5,17-trimethyldocosa-2,4,8,10,14,18,20-heptaenedioic acid",C28H38O7,486.605,2
Q4946240,6436027,Boromycin,N/A,C45H74BNO15,879.889,14
Q4973576,9887338,4-(4-Bromophenyl)-4-dimethylamino-1-phenethylcyclohexanol,4-(4-bromophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexan-1-ol,C22H28BrNO,402.376,0
Q4981048,44584115,Bryoamaride,"(8S,9R,10R,13R,14S,16R,17R)-17-[(2S)-2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl]-16-hydroxy-4,4,9,13,14-pentamethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione",C36H54O12,678.816,13
Q4982752,2459,Bucillamine,2-[(2-methyl-2-sulfanylpropanoyl)amino]-3-sulfanylpropanoic acid,C7H13NO3S2,223.305,0
Q4993812,5488895,Halichondrin B,N/A,C60H86O19,1111.329,32
Q5003182,9903250,QYIZEJQSBLRXJK-QZTJIDSGSA-N,"(2R,3S)-2-butyl-3-(4-methylphenyl)-1-azabicyclo[2.2.2]octane",C18H27N,257.421,2
Q5009205,24763642,PABOWKPYVAFTRN-UHFFFAOYSA-N,N-[5-tert-butyl-2-(cyclopropylmethyl)-1-methylpyrazol-3-ylidene]-2-fluoro-3-(trifluoromethyl)benzamide,C20H23F4N3O,397.418,0
Q5010218,44329042,"(1S,2S,3S)-2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl)-ethyl]-3-ethyl-cyclopropanecarboxylic acid","(1S,2S,3S)-2-[1-amino-1-carboxy-2-(9H-xanthen-9-yl)ethyl]-3-ethylcyclopropane-1-carboxylic acid",C22H23NO5,381.428,3
Q5010983,6509863,"Hydrazinecarbothioamide, N-methyl-2-(4-oxo-3-(2-propenyl)-2-thiazolidinylidene)-","1-methyl-3-[(E)-(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]thiourea",C8H12N4OS2,244.331,0
Q5010980,6604869,"3-Pentenoic acid, 2-amino-4-methyl-5-phosphono-, (2R,3E)-","(E,2R)-2-amino-4-methyl-5-phosphonopent-3-enoic acid",C6H12NO5P,209.138,1
Q5011453,108186,CI-988 Meglumine,"4-[[(1R)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol",C42H59N5O11,809.958,6
Q5013768,3086156,"5-(1,1-Dimethylheptyl)-2-(5-hydroxy-2-(3-hydroxypropyl)cyclohexyl)phenol","2-[(1S,2R,5S)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol",C24H40O3,376.581,3
Q5015902,363270,Voacangine,N/A,C22H28N2O3,368.477,0
Q5018816,6335910,Calcium cyanamide citrated,"calcium;2-hydroxypropane-1,2,3-tricarboxylic acid;methylcyanamide",C8H12CaN2O7,288.269,0
Q5024643,10909255,(+)-Calyculin A,"[(2S,3S,5S,7S,8R,9R)-2-[(1R,3R,4R,5S,6S,7E,9E,11E,13Z)-14-cyano-3,5-dihydroxy-1-methoxy-4,6,8,9,13-pentamethyltetradeca-7,9,11,13-tetraenyl]-9-[(E)-3-[2-[(2R)-4-[[(2R,3R,4R)-4-(dimethylamino)-2,3-dihydroxy-5-methoxypentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-7-hydroxy-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-yl] dihydrogen phosphate",C50H81N4O15P,1009.185,15
Q5036049,10954687,delta9(12)-Capnellene,"(3aS,3bS,6aS,7aS)-4,4,6a-trimethyl-3-methylidene-1,2,3a,3b,5,6,7,7a-octahydrocyclopenta[a]pentalene",C15H24,204.357,4
Q5047057,27159,Cartap,S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate,C7H15N3O2S2,237.336,0
Q5049003,23725089,XGGTZCKQRWXCHW-KAZGAHJFSA-N,"(2S,4S)-4-(4-acetylpiperazin-1-yl)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide",C30H35F7N4O2,616.625,3
Q5049581,3002104,Castalagin,N/A,C41H26O26,934.633,1
Q5050928,73644,Cuspinin,N/A,C41H28O26,936.649,5
Q5055130,11316166,(+)-Cavicularin,N/A,C28H22O4,422.48,0
Q5057221,127527,Cefbuperazone,"(6R,7S)-7-[[(2R,3S)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-3-hydroxybutanoyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",C22H29N9O9S2,627.648,4
Q5057289,9589475,Wincef (TN),"(6R,7R)-3-[[3-amino-2-(2-hydroxyethyl)pyrazol-1-ium-1-yl]methyl]-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate",C19H22N8O6S2,522.555,2
Q5057294,5284529,Cefroxadine,"(6R,7R)-7-[[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",C16H19N3O5S,365.404,3
Q5057298,6537431,Cefteram,"(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(5-methyltetrazol-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",C16H17N9O5S2,479.49,2
Q5057301,6918430,Ceftobiprole,"(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitrosoacetyl]amino]-8-oxo-3-[(E)-[2-oxo-1-[(3R)-pyrrolidin-3-yl]pyrrolidin-3-ylidene]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",C20H22N8O6S2,534.566,3
Q5089008,25255065,COZMWVAACFYLBI-RVEJGNBFSA-N,"(2R)-2-[(3S)-3-carboxy-5,6,7-trihydroxy-1-oxo-3,4-dihydroisochromen-4-yl]butanedioic acid",C14H12O11,356.239,2
Q5102980,9324,Chlormadinone acetate,"[(8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate",C23H29ClO4,404.931,6
Q5102987,6100873,Chlorogold; methylsulfanylmethane,chlorogold;methylsulfanylmethane,C2H6AuClS,294.547,0
Q5102990,10874691,Chlorogold; triphenylphosphine,chlorogold;triphenylphosphane,C18H15AuClP,494.708,0
Q5102988,24860975,OIPMBNPZSXPJND-UHFFFAOYSA-N,"2-(2-methyl-5-methylsulfanylphenyl)-1H-phenanthro[9,10-d]imidazole",C23H18N2S,354.471,0
Q5104342,656652,Oxtriphylline,"1,3-dimethyl-2-oxopurin-6-olate;2-hydroxyethyl(trimethyl)azanium",C12H21N5O3,283.332,0
Q5113817,16212383,Chromium(2+);silanidylidynesilanide,chromium(2+);silanidylidynesilanide,CrSi2,108.166,0
Q5113892,656673,Chromomycin A3,"[(2R,3S,4R,6S)-6-[[(6S,7S)-6-[(2S,4R,5R,6R)-4-[(2S,4R,5R,6R)-4-[(2S,4S,5S,6S)-5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-7-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-4,10-dihydroxy-3-methyl-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-4-[(2R,4R,5R,6R)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy-2-methyloxan-3-yl] acetate",C57H82O26,1183.257,25
Q5120032,299379,"3-(3,4-Dichlorophenyl)-2-(propan-2-ylamino)bicyclo[2.2.2]octan-3-ol","3-(3,4-dichlorophenyl)-2-(propan-2-ylamino)bicyclo[2.2.2]octan-3-ol",C17H23Cl2NO,328.277,0
Q5120191,442675,Cinchonain Ib,"(2R,3R,10R)-2,10-bis(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4,9,10-tetrahydro-2H-pyrano[2,3-f]chromen-8-one",C24H20O9,452.415,3
Q5134843,5311052,Clocortolone,"(6S,8S,9R,10S,11S,13S,14S,16R,17S)-9-chloro-6-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one",C22H28ClFO4,410.91,9
Q5135146,73622,CID 73622,"[(3R,4S,5R,6S)-6-[8-chloro-2-hydroxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-4-oxochromen-7-yl]oxy-5-hydroxy-3-methoxy-2,2-dimethyloxan-4-yl] 5-methyl-1H-pyrrole-2-carboxylate",C35H37ClN2O11,697.134,4
Q5137363,5281435,Cnicin,"[(3aR,4S,6E,10Z,11aR)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (3R)-3,4-dihydroxy-2-methylidenebutanoate",C20H26O7,378.421,4
Q5137434,5748307,Co-Codaprin,"(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol;2-acetyloxybenzoic acid",C27H29NO7,479.529,5
Q5140608,5378034,4-(5-Amino-6-benzylpyrazin-2-yl)phenol,"4-(5-amino-6-benzyl-1H-pyrazin-2-ylidene)cyclohexa-2,5-dien-1-one",C17H15N3O,277.327,0
Q5144763,444028,Colforsin daropate hydrochloride,"[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-acetyloxy-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl] 3-(dimethylamino)propanoate;hydrochloride",C27H44ClNO8,546.098,8
Q5150954,9895264,Combretastatin,"5-[(2R)-2-hydroxy-2-(3,4,5-trimethoxyphenyl)ethyl]-2-methoxyphenol",C18H22O6,334.368,1
Q5159421,136345,"Cyclohex-5-ene-1,2,3,4-tetrol","cyclohex-5-ene-1,2,3,4-tetrol",C6H10O4,146.142,0
Q5161074,5352904,(Z)-3-(4-Hydroxy-3-methoxyphenyl)prop-2-enal,(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal,C10H10O3,178.187,0
Q5162311,172964,JMPUQJQXECRLKY-MNABOLNXSA-N,"(4aR,5S,7aR,12bS)-3-(cyclopropylmethyl)-5-ethyl-9-methoxy-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one",C23H29NO3,367.489,4
Q5168983,221122,Coprosterol,"(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol",C27H48O,388.68,9
Q5190964,82143,"5-Methylindolo[3,2-b]quinoline","5-methylindolo[3,2-b]quinoline",C16H12N2,232.286,0
Q5198686,25565,Cyclochlorotine,"17,18-dichloro-13-ethyl-3,10-bis(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone",C24H31Cl2N5O7,572.44,0
Q5198906,34696,"Cycloocta-1,3,6-triene","cycloocta-1,3,6-triene",C8H10,106.168,0
Q5198969,44350143,"2-[4-(Cyclopropylmethoxy)-3,5-dimethoxyphenyl]ethan-1-amine","2-[4-(cyclopropylmethoxy)-3,5-dimethoxyphenyl]ethanamine",C14H21NO3,251.326,0
Q5199001,5359966,Cyclorphan,N/A,C20H27NO,297.442,3
Q5199059,11988275,[14]Annulene,cyclotetradecaheptaene,C14H14,182.266,0
Q5199357,441853,Cymarin,"(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde",C30H44O9,548.673,12
Q5199864,9907847,Cymserine,"[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-(4-propan-2-ylphenyl)carbamate",C23H29N3O2,379.504,2
Q5200299,544534,VSKIOMHXEUHYSI-UHFFFAOYSA-N,N/A,C26H33NO4,423.553,0
Q5200296,27452,Cyprazepam,"7-chloro-N-(cyclopropylmethyl)-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-imine",C19H18ClN3O,339.823,0
Q5200429,5748293,Cyprodime,N/A,C22H29NO3,355.478,3
Q5201339,5458428,Cytochalasin D,N/A,C30H37NO6,507.627,9
Q5203006,9570136,D&C Red NO. 33,"disodium;(3E)-5-amino-4-oxo-3-(phenylhydrazinylidene)naphthalene-2,7-disulfonate",C16H11N3Na2O7S2,467.378,0
Q5203615,977,Oxygen,molecular oxygen,O2,31.998,0
Q5204319,656408,Dasb C-11,3-amino-4-[2-[[di(methyl)amino]methyl]phenyl]sulfanylbenzonitrile,C16H17N3S,282.393,0
Q5205912,11595759,Dpa-713,"N,N-diethyl-2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide",C21H26N4O2,366.465,0
Q5205953,74358,"1,1-Diphenyl-2-picrylhydrazine","1,1-diphenyl-2-(2,4,6-trinitrophenyl)hydrazine",C18H13N5O6,395.331,0
Q5242815,24835331,NQYPTLKGQJDGTI-FQNUJKDLSA-N,"2-(3,4-dihydroxyphenyl)-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-chromene-4,5,7-triol",C21H22O12,466.395,4
Q5251502,5493381,Deferasirox,"4-[(3Z,5E)-3,5-bis(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2,4-triazolidin-1-yl]benzoic acid",C21H15N3O4,373.368,0
Q5256385,13756,Demoxepam,"7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one",C15H11ClN2O2,286.715,0
Q5261117,10649,Dequalinium chloride,1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine;dichloride,C30H40Cl2N4,527.578,0
Q5264591,25074999,Somagard (TN),H-DL-Pyr-DL-His-DL-Trp-DL-Ser-DL-Tyr-DL-Trp-DL-Leu-DL-Arg-DL-Pro-NHEt,C64H83N17O12,1282.475,0
Q5264607,5469424,Demethoxycurcumin,"(1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione",C20H18O5,338.359,0
Q5268487,5748237,Dextallorphan,N/A,C19H25NO,283.415,3
Q5272281,139548,Diboron tetrachloride,dichloro(dichloroboranyl)borane,B2Cl4,163.42,0
Q5275247,165124,Difemerine,"[2-(dimethylamino)-2-methylpropyl] 2-hydroxy-2,2-diphenylacetate",C20H25NO3,327.424,0
Q5276420,107770,Artenimol,N/A,C15H24O5,284.352,6
Q5276483,5207587,Diisopropylzinc,zinc;propane,C6H14Zn,151.558,0
Q5277314,164881,Chlorendate dimethyl,"dimethyl 1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylate",C11H8Cl6O4,416.881,0
Q5280075,165894,MTPLCRHXXMCRGG-SQEFCJGSSA-N,"[(4aR,7S,7aR,12bS)-3-methyl-9-propanoyloxy-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl] propanoate",C23H27NO5,397.471,4
Q5283993,91606,Divicine,"2,4-diamino-1,4-dihydropyrimidine-5,6-dione",C4H6N4O2,142.118,0
Q5319234,25075991,Dynorphin B,H-Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Gln-Phe-Lys-Val-Val-Thr-OH,C74H115N21O17,1570.864,12
Q5319233,16130969,CID 16130969,N/A,C75H126N24O15,1603.986,11
Q5323095,359137,3-(6-Aminopurin-9-yl)nonan-2-ol;hydrochloride,3-(6-aminopurin-9-yl)nonan-2-ol;hydrochloride,C14H24ClN5O,313.83,0
Q5332352,101709,Ecgonidine,8-methyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylic acid,C9H13NO2,167.208,0
Q5332458,6436199,Antibiotic SL 7810F,N/A,C52H81N7O16,1060.253,15
Q5332581,161462,"1-Methyl-2,3-dihydroquinolin-4-imine","1-methyl-2,3-dihydroquinolin-4-imine",C10H12N2,160.22,0
Q5359421,264743,WIQOUTANBFOBPB-WILRRUMQSA-N,N/A,C19H20O7,360.362,4
Q5379483,51744,CID 51744,"methyl 7-[(1S,2S,3S)-3-hydroxy-2-[(3R)-3-hydroxy-4-phenoxybut-1-enyl]-5-oxocyclopentyl]hepta-4,5-dienoate",C23H28O6,400.471,4
Q5382029,1549120,Epalrestat,"2-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid",C15H13NO3S2,319.393,0
Q5383774,5493160,Eplivanserin,"4-[(Z)-3-[2-(dimethylamino)ethoxyamino]-3-(2-fluorophenyl)prop-2-enylidene]cyclohexa-2,5-dien-1-one",C19H21FN2O2,328.387,0
Q5383826,16760412,"Epoxomicin, Synthetic",Ac-N(Me)DL-Ile-DL-Ile-DL-Thr-DL-Leu-Unk,C28H50N4O7,554.729,4
Q5383934,68741,Epristeride,"(8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3-carboxylic acid",C25H37NO3,399.575,6
Q5385177,9934372,Erbulozole,"ethyl N-[4-[[(2R,4R)-2-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]methylsulfanyl]phenyl]carbamate",C24H27N3O5S,469.556,2
Q5396402,11231853,Erythravine,"(2R,13bS)-11,12-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-2-ol",C18H21NO3,299.37,2
Q5398839,6435576,Esperamicin A1,"[3-hydroxy-6-[[(5Z,13E)-9-hydroxy-2-[4-hydroxy-5-[(4-hydroxy-6-methyl-5-methylsulfanyloxan-2-yl)oxyamino]-3-[4-methoxy-5-(propan-2-ylamino)oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-12-(methoxycarbonylamino)-13-[2-(methyltrisulfanyl)ethylidene]-11-oxo-10-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynyl]oxy]-2-methyloxan-4-yl] 4,5-dimethoxy-2-(2-methoxyprop-2-enoylamino)benzoate",C59H80N4O22S4,1325.535,0
Q5404502,101914,Ethylmagnesium bromide,magnesium;ethane;bromide,C2H5BrMg,133.271,0
Q5404857,14208380,Etoxadrol,"(2S)-2-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]piperidine",C16H23NO2,261.365,3
Q5404861,5743585,Etozolin,"ethyl (2Z)-2-(3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene)acetate",C13H20N2O3S,284.374,0
Q5409893,5352020,Eupalin,"5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one",C23H24O11,476.434,0
Q5415983,6321418,Evans blue,"tetrasodium;(6E)-4-amino-6-[[4-[4-[(2Z)-2-(8-amino-1-oxo-5,7-disulfonatonaphthalen-2-ylidene)hydrazinyl]-3-methylphenyl]-2-methylphenyl]hydrazinylidene]-5-oxonaphthalene-1,3-disulfonate",C34H24N6Na4O14S4,960.793,0
Q5441133,6918160,Fedotozine,"(2R)-N,N-dimethyl-2-phenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]butan-2-amine",C22H31NO4,373.493,1
Q5443567,71899,Fenoxazoline,"2-[(2-propan-2-ylphenoxy)methyl]-4,5-dihydro-1H-imidazole",C13H18N2O,218.3,0
Q5443648,71534,Fentonium bromide,[8-methyl-8-[2-oxo-2-(4-phenylphenyl)ethyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate;bromide,C31H34BrNO4,564.52,0
Q5462886,14742,DEFOZIFYUBUHHU-WDWFXJGJSA-N,"[2-[(9R,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-16-methylidene-3-oxo-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate",C24H29FO6,432.488,2
Q5462900,11890466,JKQQZJHNUVDHKP-SZMVRVGJSA-N,"[(8R,9S,10S,11S,13R,14R,17R)-17-acetyl-9-fluoro-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate",C23H31FO5,406.494,7
Q5470216,17794,Formocortal,N/A,C29H38ClFO8,569.063,3
Q5509469,3433,Furafylline,"3-(furan-2-ylmethyl)-1,8-dimethyl-7H-purine-2,6-dione",C12H12N4O3,260.253,0
Q5513695,5288446,SVPQWSUSBRNQBI-DYVFJYSZSA-N,(2R)-N'-hydroxy-N-[(2S)-3-(5H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide,C20H28N4O4,388.468,2
Q5514489,59548652,"2-{2-[2-(Difluoromethoxy)-5-({5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}carbonyl)phenyl]ethynyl}pyridine","[4-(difluoromethoxy)-3-(2-pyridin-2-ylethynyl)phenyl]-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone",C22H15F2N3O2,391.378,0
Q5516411,23724913,Gadofosveset trisodium,"trisodium;2-[[2-[bis(carboxylatomethyl)amino]-3-[(4,4-diphenylcyclohexyl)oxy-oxidophosphoryl]oxypropyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;gadolinium(3+);hydrate",C33H40GdN3Na3O15P,975.882,0
Q5518498,11440648,PAFKTGFSEFKSQG-BLYLLKCRSA-N,"(3S,10R,13S)-17-(benzimidazol-1-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol",C26H32N2O,388.555,3
Q5519258,11636593,VIWPIEFUKATPEE-WBQRZADHSA-N,N/A,C51H60N10O11,989.1,3
Q5519727,5281632,Gambogic acid,N/A,C38H44O8,628.762,2
Q5521314,16186319,BJQRBVMMHKUPPY-YYXZGPOZSA-N,Ac-D-1Nal-D-Phe(4-Cl)-D-3Pal-Ser-Tyr-D-hArg(Et2)-Leu-hArg(Et2)-Pro-D-Ala-NH2,C80H113ClN18O13,1570.347,10
Q5528046,6450546,Gavestinel,"3-[(E)-3-anilino-3-oxoprop-1-enyl]-4,6-dichloro-1H-indole-2-carboxylic acid",C18H12Cl2N2O3,375.205,0
Q5530325,11857532,GelGreen,"6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-N-[3-[2-[2-[3-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]propoxy]ethoxy]ethoxy]propyl]hexanamide;diiodide",C56H80I2N8O5,1199.116,0
Q5571076,3013628,DHZIDIIBBCIIEG-UHFFFAOYSA-N,"3-(3,4-dihydroxyphenyl)-2-[4-(3,4-dihydroxyphenyl)-6,7-dihydroxynaphthalene-2-carbonyl]oxypropanoic acid",C26H20O10,492.436,0
Q5572308,3034155,"Propanedial, hydroxy-","(E)-2,3-dihydroxyprop-2-enal",C3H4O3,88.062,0
Q5572322,124021,beta-Glucogallin,"[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3,4,5-trihydroxybenzoate",C13H16O10,332.261,5
Q5578972,3691217,Triiodogold,triiodogold,AuI3,577.68,0
Q5611751,5486806,WZHKXNSOCOQYQX-PXILECETSA-N,H-His-D-Trp-Ala-Trp-DL-Phe-Lys-NH2,C46H56N12O6,873.032,5
Q5615369,9878329,Guibourtinidol,"(2R,3S)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol",C15H14O4,258.273,2
Q5637062,11979956,Hachimycin,"(4E,6E,8E,10E,12E,14E,16E)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-19-[7-(4-aminophenyl)-5-hydroxy-7-oxoheptan-2-yl]-25,27,31,33,35,37-hexahydroxy-18-methyl-21,23-dioxo-20,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylic acid;(4E,6E,8E,10E,12E,14E,16E)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-19-[7-(4-aminophenyl)-5-hydroxy-7-oxoheptan-2-yl]-27,29,31,33,35,37-hexahydroxy-18-methyl-21,23-dioxo-20,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylic acid",C116H168N4O36,2194.612,10
Q5681276,44145967,DFWNDZXBHVLQRA-UHFFFAOYSA-J,"zinc;[4-[[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-trimethylazanium;tetrachloride",C26H33Cl4N3Zn,594.751,0
Q5712560,128444,Tyrosyl-prolyl-tryptophyl-threonine,H-Tyr-Pro-Trp-Thr-OH,C29H35N5O7,565.627,5
Q5748732,24874462,CEAQFKXGANPASW-HHHXNRCGSA-N,2-(2-tert-butylphenoxy)-3-[(S)-tert-butylsulfinyl]-1-(methoxymethyl)-4-methylbenzene,C23H32O3S,388.566,1
Q5748740,73425376,Hexafluorenium,ethane;9H-fluoren-9-yl-[6-[9H-fluoren-9-yl(dimethyl)azaniumyl]hexyl]-dimethylazanium,C38H48N2+2,532.816,0
Q5749096,2733163,n-Hexyllithium,lithium;hexane,C6H13Li,92.11,0
Q5814478,9912,Xantinol nicotinate,"7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione;pyridine-3-carboxylic acid",C19H26N6O6,434.453,0
Q5849706,54708748,Streptolydigin,"(2S)-2-[(2S,4E)-4-[(2E,4E,6R)-6-[(1R,2S,3R,5R,6R)-2,5-dimethylspiro[4,9-dioxabicyclo[3.3.1]non-7-ene-6,2'-oxirane]-3-yl]-1-hydroxy-4-methylhepta-2,4-dienylidene]-1-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]-3,5-dioxopyrrolidin-2-yl]-N-methylpropanamide",C32H44N2O9,600.709,11
Q5871697,5384563,Hitachimycin,"(2Z,4E,6E,12E)-16,20-dihydroxy-21-methoxy-3-methyl-10-phenyl-9-azabicyclo[17.3.0]docosa-2,4,6,12,19-pentaene-8,18-dione",C29H35NO5,477.601,0
Q5955671,5353676,Hydroxystilbamidine,"(4E)-4-[2-[4-(diaminomethylidene)cyclohexa-2,5-dien-1-ylidene]ethylidene]-3-oxocyclohexa-1,5-diene-1-carboximidamide",C16H16N4O,280.331,0
Q5984942,9939050,UMUPQWIGCOZEOY-UHFFFAOYSA-N,"2-amino-2-methyl-N-[1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxo-3-phenylmethoxypropan-2-yl]propanamide",C27H36N4O5S,528.668,0
Q5991162,23724921,Ifetroban,"3-[2-[[(1R,2R,3S,4R)-3-[4-(pentylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoic acid",C25H32N2O5,440.54,4
Q6003986,23583981,1H-Imidazole-1-sulfonyl azide,N-diazoimidazole-1-sulfonamide,C3H3N5O2S,173.15,0
Q6004128,11954222,DAYDLKPFBFPKHL-MYZPLXEGSA-N,"(Z)-7-[(2S)-2-amino-2-carboxyethyl]sulfanyl-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoic acid;(5R,6S)-3-[2-(aminomethylideneamino)ethylsulfanyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;hydrate",C28H45N5O10S2,675.813,5
Q6015672,10192617,Indantadol,"2-(2,3-dihydro-1H-inden-2-ylamino)acetamide",C11H14N2O,190.246,0
Q6062315,6327219,Iodosilicon,iodosilicon,ISi,154.989,0
Q6078756,127403,1-(Propan-2-ylamino)-3-(2-pyrrol-1-ylphenoxy)propan-2-ol hydrochloride,1-(propan-2-ylamino)-3-(2-pyrrol-1-ylphenoxy)propan-2-ol;hydrochloride,C16H23ClN2O2,310.822,0
Q6095002,98912,"10H-Indolo[3,2-b]quinoline","10H-indolo[3,2-b]quinoline",C15H10N2,218.259,0
Q6122828,439653,Reticuline,"(1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol",C19H23NO4,329.396,1
Q6138969,16219560,JYTUSYBCFIZPBE-QLRGDERGSA-N,"(2R,3R,4R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acid",C12H22O12,358.296,8
Q6172522,592657,Dichloronickel;triethylphosphane,dichloronickel;triethylphosphane,C12H30Cl2NiP2,365.913,0
Q6172533,18317085,YQDKULBMDMPFLH-KTAJNNJTSA-N,"(4E)-4-(2-oxoethylidene)-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid",C9H9NO5,211.173,0
Q6456076,132059,"N-[4-[[5-[3-(2-Aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methanesulfonamide","N-[4-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methanesulfonamide",C20H21N5O3S,411.48,0
Q6456961,101704,N-Ethyllysergamide,"N-ethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide",C18H21N3O,295.386,0
Q6482030,160352,Lamivudine and zidovudine,"4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione",C18H24N8O7S,496.499,5
Q6518814,61396,Solvent red 19,N-ethyl-1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-amine,C24H21N5,379.467,0
Q6528191,6917907,Leptomycin B,"(2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E)-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-19-[(2S,3S)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]-8-oxononadeca-2,10,12,16,18-pentaenoic acid",C33H48O6,540.741,7
Q6542719,3080646,Epirax,"7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine;(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate;bromide",C38H40BrClN4O4,732.116,0
Q6553551,11263727,Lineatin,N/A,C10H16O2,168.236,4
Q6583647,12444662,Valoneaic acid,"2-[6-carboxy-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-2,3-dihydroxyphenyl]-3,4,5-trihydroxybenzoic acid",C21H14O15,506.328,0
Q6585045,9907348,"8H-Indeno[1,2-d]thiazole, 2-(1H-imidazol-4-ylmethyl)-","2-(1H-imidazol-5-ylmethyl)-4H-indeno[1,2-d][1,3]thiazole",C14H11N3S,253.323,0
Q6593308,442340,Pukateine,N/A,C18H17NO3,295.338,1
Q6606395,265237,Withaferin A,N/A,C28H38O6,470.606,11
Q6647969,11665397,Dilithium sulphite,dilithium;sulfite,Li2SO3,93.937,0
Q6681547,3045380,Lorpiprazole,"(5aS,8aR)-3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-5,5a,6,7,8,8a-hexahydrocyclopenta[3,4]pyrrolo[1,5-b][1,2,4]triazole",C21H26F3N5,405.469,2
Q6697337,6433568,Lucimycin,N/A,C36H53NO13,707.814,2
Q6710338,172640,Lythranidine,N/A,C26H35NO4,425.569,0
Q6714672,33363,N-(4-Methoxybenzylidene)-4-butylaniline,N-(4-butylphenyl)-1-(4-methoxyphenyl)methanimine,C18H21NO,267.372,0
Q6731374,71307398,"Magnesium;(2R,3S)-2,3,4-trihydroxybutanoate","magnesium;(2R,3S)-2,3,4-trihydroxybutanoate",C8H14MgO10,294.495,4
Q6787831,91466,Matrine,N/A,C15H24N2O,248.37,4
Q6806652,623060,3-Hydroxy-9-methoxypterocarpan,"9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol",C16H14O4,270.284,0
Q6808812,324150,"6-[1-Hydroxy-1-(3,4,5-trimethoxyphenyl)propan-2-yl]-4-methoxy-6-prop-2-enylcyclohex-2-en-1-one","6-[1-hydroxy-1-(3,4,5-trimethoxyphenyl)propan-2-yl]-4-methoxy-6-prop-2-enylcyclohex-2-en-1-one",C22H30O6,390.476,0
Q6816337,189877,Menabitan,"[5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] 2-methyl-4-(2-methylpiperidin-1-yl)butanoate",C37H56N2O3,576.866,0
Q6823338,62518,Metazocine,N/A,C15H21NO,231.339,0
Q6823546,35409,2-Isocyanatoethyl methacrylate,2-isocyanatoethyl 2-methylprop-2-enoate,C7H9NO3,155.153,0
Q6824053,23724781,Methscopolamine bromide,N/A,C18H24BrNO4,398.297,3
Q6839784,107677,Micronomicin,"(2R,3R,4R,5R)-2-[(1S,2S,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol",C20H41N5O7,463.576,11
Q6896941,541372,Tetraacetatodimolybdenum,acetic acid;molybdenum,C8H16Mo2O8,432.108,0
Q6909584,24186234,CID 24186234,"2,4-diamino-5-[2-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]benzenesulfonic acid;sodium",C12H11N5NaO6S,376.299,0
Q6913406,119303,Morphiceptin,H-Tyr-Pro-Phe-Pro-NH2,C28H35N5O5,521.618,4
Q6931218,24897300,ZTHUKZZIIBZQNL-UHFFFAOYSA-N,(1E)-2-[6-[[amino-[(E)-[amino-(4-bromoanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-bromoanilino)methylidene]guanidine,C22H30Br2N10,594.36,0
Q6948223,5281673,Myricitrin,"5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one",C21H20O12,464.379,5
Q6951323,24893807,HOCJNIVJUMYCKR-IFHXUIKGSA-N,N/A,C23H37NO5,407.551,8
Q6951351,11096158,N-Acetylmannosamine,"N-[(2R,3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide",C8H15NO6,221.209,5
Q6951363,20326296,2-(Ethylamino)-1-phenylbutan-1-one,2-(ethylamino)-1-phenylbutan-1-one,C12H17NO,191.274,0
Q6951371,24880003,BDYZLPWVDAKDLA-JJKLPUCZSA-N,"(3S,5R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-5-[(4-methoxyphenyl)methoxy]icosan-3-ol",C46H82O5Si2,771.327,3
Q6951387,3080614,N-(Carboxycarbonyl)glycine,2-(carboxymethylamino)-2-oxoacetic acid,C4H5NO5,147.086,0
Q6954850,3617797,1-(2-Aminonaphthalen-1-yl)naphthalen-2-ol,1-(2-aminonaphthalen-1-yl)naphthalen-2-ol,C20H15NO,285.346,0
Q6961010,9576788,Naloxazone,"(4R,4aS,7E,7aR,12bS)-7-hydrazinylidene-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol",C19H23N3O3,341.411,4
Q6965855,6436286,Nargenicin A1,N/A,C28H37NO8,515.603,11
Q6990833,3047787,Neltenexine,"N-[2,4-dibromo-6-[[(4-hydroxycyclohexyl)amino]methyl]phenyl]thiophene-2-carboxamide",C18H20Br2N2O2S,488.238,0
Q6997373,16134381,CID 16134381,N/A,C143H244N50O42S4,3464.073,28
Q7039308,520571,Pentaethoxyniobium,ethanol;niobium,C10H30NbO5,323.251,0
Q7039308,520571,Pentaethoxyniobium,ethanol;niobium,C10H30NbO5,323.251,0
Q7041263,3033155,Nithiazine,"(2E)-2-(nitromethylidene)-1,3-thiazinane",C5H8N2O2S,160.191,0
Q7049165,71885,Nonabine,"2,2-dimethyl-7-(3-methyloctan-2-yl)-4-pyridin-4-ylchromen-5-ol",C25H33NO2,379.544,0
Q7050437,24744067,DNTHHIVFNQZZRD-RFPTZSTGSA-N,N/A,C33H25N3O3,511.581,2
Q7050960,63021,Norethindrone acetate,"[(8R,9S,10R,13S,14S,17S)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate",C22H28O3,340.463,6
Q7051399,519103,Morphinan-3-ol,N/A,C16H21NO,243.35,0
Q7067904,10146,Nuciferine,"(6aR)-1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline",C19H21NO2,295.382,1
Q7071299,21171210,LBLTTZSPTHIZBE-MTDXEUNCSA-N,"ethyl (2E)-5-(1,3-benzodioxol-5-yl)-2-[(2-methoxynaphthalen-1-yl)methylidene]-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate",C34H26N2O6S,590.65,0
Q7071996,11775273,UMJJTCXPFDHKGJ-UHFFFAOYSA-N,"N-[5-(1-hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-3-yl)-5-methylhexyl]ethanesulfonamide",C25H39NO4S,449.65,0
Q7072002,10549140,QHFROVGTWNPDOW-QRWMCTBCSA-N,"(6aR)-3-(6-bromohex-2-ynyl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol",C22H27BrO2,403.36,1
Q7076759,66348,Octathiocane,octathiocane,S8,256.48,0
Q7076760,21867154,8-Methyltropinium bromide 2-propylvalerate,"(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-propylpentanoate;bromide",C17H32BrNO2,362.352,0
Q7099046,71542,"Hydrocinchonidine, 6'-ethoxy-",(6-ethoxyquinolin-4-yl)-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)methanol,C21H28N2O2,340.467,0
Q7099512,5362511,C.I. Acid Orange 137,disodium;4-[2-[3-ethoxycarbonyl-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]hydrazinyl]naphthalene-1-sulfonate,C22H16N4Na2O9S2,590.489,0
Q7101735,10069407,DMYGECJTVMCGEP-UHFFFAOYSA-N,"[1-(cyclohexylmethyl)-7-methoxyindol-3-yl]-(3,4,5-trimethylpiperazin-1-yl)methanone",C24H35N3O2,397.563,0
Q7106486,198746,Osemozotan hydrochloride,"3-(1,3-benzodioxol-5-yloxy)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propan-1-amine;hydrochloride",C19H22ClNO5,379.837,1
Q7116606,6436036,Ozolinone,"(2Z)-2-(3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene)acetic acid",C11H16N2O3S,256.32,0
Q7116885,23749,[4-[(4-Arsonophenyl)diazenyl]phenyl]arsonic acid,[4-[(4-arsonophenyl)diazenyl]phenyl]arsonic acid,C12H12As2N2O6,430.079,0
Q7118028,1185541,CID 1185541,2-(4-benzylpiperazin-1-yl)-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide,C23H28N4O2,392.503,0
Q7119043,11328898,WHPJOAUPIZDJNX-YTEQHECZSA-N,"[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]-[(3S,5R)-4-hydroxy-3,5-dimethyl-4-phenylpiperidin-1-yl]methanone",C28H36F2N2O2,470.605,4
Q7119048,11581936,Mardepodect,2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline,C25H20N4O,392.462,0
Q7119205,11493927,Pha-543613 dihydrochloride,"N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide;dihydrochloride",C15H19Cl2N3O2,344.236,1
Q7119395,195658,(5-Methoxy-1H-indol-2-yl)methanamine,(5-methoxy-1H-indol-2-yl)methanamine,C10H12N2O,176.219,0
Q7119896,11243536,(R)-4-Chloro-N-(quinuclidin-3-yl)benzamide hydrochloride,N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-chlorobenzamide;hydrochloride,C14H18Cl2N2O,301.211,1
Q7120083,6093163,Ppads,"4-[(2E)-2-[4-formyl-6-methyl-5-oxo-3-(phosphonooxymethyl)pyridin-2-ylidene]hydrazinyl]benzene-1,3-disulfonic acid",C14H14N3O12PS2,511.369,0
Q7165030,5358751,Pentaene antibiotic,"(17E,19E,21E,23E,25E)-4,6,8,10,12,14,15,16,27-nonahydroxy-3-(1-hydroxyhexyl)-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one",C35H58O12,670.837,0
Q7168166,12143313,Perfluoropentacene,"1,2,3,4,5,6,7,8,9,10,11,12,13,14-tetradecafluoropentacene",C22F14,530.22,0
Q7181329,8523,Phenampromide,N-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide,C17H26N2O,274.408,0
Q7181438,10262369,(1-Phenylpentan-2-yl)(propyl)amine,1-phenyl-N-propylpentan-2-amine,C14H23N,205.345,0
Q7182926,115201,Philanthotoxin,N-[(2S)-1-[4-[3-(3-aminopropylamino)propylamino]butylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide,C23H41N5O3,435.613,1
Q7197544,121903,Piquindone,"(4aS,8aS)-3-ethyl-2,6-dimethyl-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinolin-4-one",C15H22N2O,246.354,2
Q7197959,4846,Pirenoxine,"1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid",C16H8N2O5,308.249,0
Q7198091,47783,Pirquinozol,"2-(hydroxymethyl)-3H-pyrazolo[1,5-c]quinazolin-5-one",C11H9N3O2,215.212,0
Q7204785,31326,Pleuromulin,N/A,C22H34O5,378.509,0
Q7204947,10980538,Plicadin,N/A,C20H14O5,334.327,0
Q7234707,21123765,Potassium chromic cyanide,tripotassium;chromium(3+);hexacyanide,C6CrK3N6,325.399,0
Q7234718,23664267,YOHNRQVUMVPBJJ-CTHHTMFSSA-M,sodium;(2R)-2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetate,C18H24NNaO4,341.383,2
Q7239909,15032,Pregnenolone carbonitrile,"(3S,8S,9S,10R,13S,14S,16R,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16-carbonitrile",C22H31NO2,341.495,8
Q7245902,5354042,Virginiamycin m1,N/A,C28H35N3O7,525.602,0
Q7250468,103544,N-Propylamphetamine,1-phenyl-N-propylpropan-2-amine,C12H19N,177.291,0
Q7251822,68780,Protiofate,"dipropyl 3,4-dihydroxythiophene-2,5-dicarboxylate",C12H16O6S,288.314,0
Q7260199,16129720,Punicacortein D,N/A,C48H28O30,1084.722,0
Q7260204,44631480,Punigluconin,N/A,C34H26O23,802.559,0
Q7263189,45479427,CID 45479427,"2-amino-5-[[(1S)-1-[[1-[[5-(diaminomethylideneamino)-1-[[1-[[5-[formyl(hydroxy)amino]-1-[[9-[3-[formyl(hydroxy)amino]propyl]-3,6-bis(1-hydroxyethyl)-2,5,8,11-tetraoxo-1,4,7,10-tetrazacyclohexadec-12-yl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]-8,9-dihydroxy-2,3,4,4a-tetrahydro-1H-pyrimido[1,2-a]quinolin-5-yl]amino]-5-oxopentanoic acid",C56H88N18O22,1365.424,1
Q7263592,163685,Diclegis,"4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;butanedioic acid;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine;hydrochloride",C29H40ClN3O8,594.102,0
Q7263674,5485198,Pyronaridine,"4-[(7-chloro-2-methoxy-1,5-dihydrobenzo[b][1,5]naphthyridin-10-yl)imino]-2,6-bis(pyrrolidin-1-ylmethyl)cyclohexa-2,5-dien-1-one",C29H32ClN5O2,518.058,0
Q7269871,151108,Quebrachitol,"(1R,2S,4S,5R)-6-methoxycyclohexane-1,2,3,4,5-pentol",C7H14O6,194.183,4
Q7277486,9934746,Rpl-554,"2-[9,10-dimethoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethylurea",C26H31N5O4,477.565,0
Q7280124,22714308,Radequinil,"(3Z)-5-(3-methoxyphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-ylidene)-1,6-naphthyridin-2-one",C18H14N4O3,334.335,0
Q7280510,6323491,Monorden,N/A,C18H17ClO6,364.778,3
Q7294040,6433206,Sulforaphen,(E)-4-isothiocyanato-1-methylsulfinylbut-1-ene,C6H9NOS2,175.264,0
Q7316807,5280531,Vitamin A palmitate,"[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] hexadecanoate",C36H60O2,524.874,0
Q7321711,3033948,Rhynchophylline,"methyl (E)-2-[(6'R,7'S)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate",C22H28N2O4,384.476,2
Q7322878,71785,Ricasetron,"3,3-dimethyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2H-indole-1-carboxamide",C19H27N3O,313.445,2
Q7352933,16212723,Robinetinidin chloride,"5-(3,7-dihydroxychromenylium-2-yl)benzene-1,2,3-triol;chloride",C15H11ClO6,322.697,0
Q7367466,6440755,RINHYCZCUGCZAJ-UHAHJPEESA-N,"(2S,3R,4S,5S,6R)-2-[(E)-3-phenylprop-2-enoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol",C20H28O10,428.434,9
Q7368629,5467324,XEQIXGXEBJYNMG-OLPWBVPVSA-N,N/A,C27H33ClN2O2,453.023,0
Q7376093,11786393,Rubicordifolin,N/A,C33H28O9,568.578,3
Q7389144,56950369,"5-(3-(1-Methylcyclopropyl)propyl)-1H-pyrano(2,3-d)pyrimidine-2,4,7(3H)-trione","5-[3-(1-methylcyclopropyl)propyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione",C14H16N2O4,276.292,0
Q7390603,24278699,GSZLEBUYCKSANF-UHFFFAOYSA-N,"2-(4-amino-1,3-dihydroisoindol-2-yl)pentane-1,5-diol",C13H20N2O2,236.315,0
Q7395228,5487538,"(3E)-6-Benzyl-3-(5-methoxy-3H-1,3,4-oxadiazol-2-ylidene)-7,8-dihydro-5H-1,6-naphthyridin-2-one","(3E)-6-benzyl-3-(5-methoxy-3H-1,3,4-oxadiazol-2-ylidene)-7,8-dihydro-5H-1,6-naphthyridin-2-one",C18H18N4O3,338.367,0
Q7395917,151897,Sabarubicin,"(7S,9S)-7-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione",C32H37NO13,643.642,10
Q7507259,9929210,Sibopirdine,N/A,C23H20N4O,368.44,0
Q7514072,521285,"Androst-4-en-3-one, 17-[(trimethylsilyl)oxy]-, (17beta)-","10,13-dimethyl-17-trimethylsilyloxy-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",C22H36O2Si,360.613,0
Q7573806,5364216,Sparsomycin,"(E)-N-[1-hydroxy-3-(methylsulfanylmethylsulfinyl)propan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide",C13H19N3O5S2,361.431,0
Q7600428,24892781,CID 24892781,"[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(12S)-12-methyltetradecanoyl]oxymethyl]oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenoate",C51H78O8,819.177,6
Q7646983,3034617,Surugatoxin,"[(2S,3R,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl] (3S,6'aR,7'S,9'R)-6-bromo-6'a,9'-dihydroxy-9'-methyl-1',2,3',10'-tetraoxospiro[1H-indole-3,8'-4,5,6,7-tetrahydropyrido[1,2-f]pteridine]-7'-carboxylate",C25H26BrN5O13,684.409,8
Q7669595,16727410,OXKRFEWMSWPKKV-RXVVDRJESA-N,"N-[(2S,3S)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide",C22H23N3O2,361.445,2
Q7670227,9865413,PXBRWSCGFNNIKS-IAGOWNOFSA-N,"[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] dihydrogen phosphate",C21H31O5P,394.448,2
Q7671383,5487273,Trimu 5,(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-[[2-(3-methylbutylamino)acetyl]amino]-1-oxopropan-2-yl]propanamide,C19H30N4O4,378.473,2
Q7671452,25256198,"5-(3-Chloro-4-fluorophenyl)-3-methyl-3-(pyrimidin-5-ylmethyl)-1-(1H-1,2,4-triazol-3-yl)indolin-2-one","5-(3-chloro-4-fluorophenyl)-3-methyl-3-(pyrimidin-5-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)indol-2-one",C22H16ClFN6O,434.859,0
Q7675206,115340,UVAAUIDYGIWLMB-ZXPAPMLESA-N,"(1S,2R,5S,6R,7R,8R)-8-acetyloxy-7-amino-2-carbamoyl-2-hydroxy-6-phosphonooxy-9-oxa-3-thiabicyclo[3.3.1]nonane-5-carboxylic acid",C11H17N2O11PS,416.294,6
Q7678897,5486799,Talaporfin,"(2S)-2-[[2-[(2S,3S)-7-carboxy-3-(2-carboxyethyl)-17-ethenyl-12-ethyl-2,8,13,18-tetramethyl-2,3,23,24-tetrahydroporphyrin-5-yl]acetyl]amino]butanedioic acid",C38H41N5O9,711.772,3
Q7680336,114750,Taltirelin,"(4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide",C17H23N7O5,405.415,3
Q7681179,104180,Tametraline hydrochloride,"(1R,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride",C17H20ClN,273.804,2
Q7698194,443874,Temocapril,"2-[(2S,6R)-6-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid",C23H28N2O5S2,476.606,3
Q7698204,60751,Temoporfin,"3-[10,15,20-tris(3-hydroxyphenyl)-2,3,22,24-tetrahydroporphyrin-5-yl]phenol",C44H32N4O4,680.764,0
Q7706215,66232,Tetrabromoethylene,"1,1,2,2-tetrabromoethene",C2Br4,343.638,0
Q7706543,65553,Tetrahydrocorticosterone,"1-[(3R,5R,8S,9S,10S,11S,13S,14S,17S)-3,11-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyethanone",C21H34O4,350.499,9
Q7706553,442025,"(1R)-1-Methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole","(1R)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole",C12H14N2,186.258,1
Q7709707,25147453,Samarium;silanidylidynesilanide,samarium;silanidylidynesilanide,Si2Sm-2,206.53,0
Q7777226,5748168,TUJOKWPTOVJHLY-JBJHRQGLSA-N,"[(2R,3R)-2-[3,5-dihydroxy-6-oxo-4-(3,4,5-trihydroxybenzoyl)oxy-8-[(3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-1-yl]-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl] 3,4,5-trihydroxybenzoate",C43H32O20,868.709,3
Q7777225,467321,GPLOTACQBREROW-WQLSNUALSA-N,"[(2R,3R)-5,7-dihydroxy-2-[3,4,5-trihydroxy-6-oxo-8-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-1-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate",C36H28O16,716.604,4
Q7784698,16130278,Thiostrepton,N/A,C72H85N19O18S5,1664.887,11
Q7800111,656958,Tiamulin,N/A,C28H47NO4S,493.747,8
Q7800905,72150,Tidiacic,"1,3-thiazolidine-2,4-dicarboxylic acid",C5H7NO4S,177.174,0
Q7808830,159324,Tipifarnib,6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one,C27H22Cl2N4O,489.4,1
Q7811972,8034466,"N-[(1,3-Dimethyl-2,6-dioxopyrimidin-4-yl)methyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide","N-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide",C18H24N4O5S,408.473,0
Q7814247,5748792,Tolgabide,"4-[[(Z)-(3-chloro-5-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-(4-chlorophenyl)methyl]amino]butanamide",C18H18Cl2N2O2,365.254,0
Q7838854,9838899,Trestolone,"(7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-7,13-dimethyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one",C19H28O2,288.431,7
Q7840692,8260,Trichloroethylsilane,trichloro(ethyl)silane,C2H5Cl3Si,163.497,0
Q7841934,24863218,OUGMXAHRBFIQHB-GNKOLUHFSA-N,"N-[(1S,2R,3S,4R)-4-[2-[(3R)-3-(2,1,3-benzothiadiazol-5-ylcarbamoylamino)pyrrolidin-1-yl]-6-(2,2-diphenylethylamino)purin-9-yl]-2,3-dihydroxycyclopentyl]propanamide",C38H41N11O4S,747.879,5
Q7843270,24892754,BJAFYRSZBSGAET-QQFUYBAXSA-N,"[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [(6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl] hydrogen phosphate",C33H58NO9P,643.799,5
Q7843285,327657,"4-(4-Methoxyphenyl)-2,3-benzoxazin-1-one","4-(4-methoxyphenyl)-2,3-benzoxazin-1-one",C15H11NO3,253.257,0
Q7843933,379259,Tris(2-pyridylmethyl)amine,"1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine",C18H18N4,290.37,0
Q7846702,151173,Troxacitabine,"4-amino-1-[(2S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one",C8H11N3O4,213.193,1
Q7848584,449517,Bis[[5-glutamyl-cysteinyl-glycyl]-aminopropyl]amine,(2S)-2-amino-5-[[(2R)-1-[[2-[4-[3-[[2-[[(2R)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-sulfanylpropanoyl]amino]acetyl]amino]propylamino]butylamino]-2-oxoethyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid,C27H49N9O10S2,723.862,4
Q7851139,3050405,"[2-Chloro-5-(2-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-yl]methanol","[2-chloro-5-(2-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-yl]methanol",C17H16Cl2N2O,335.228,0
Q7860340,70789242,SuperVent,"2-[2-[[2-(2-hydroxyethoxy)-3-[[2-(2-hydroxyethoxy)-3-methyl-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol",C51H80O6,789.195,0
Q7863562,5354033,"2,3-Bis[amino[(2-aminophenyl)thio]methylene]butanedinitrile","(2E,3Z)-2,3-bis[amino-(2-aminophenyl)sulfanylmethylidene]butanedinitrile",C18H16N6S2,380.488,0
Q7912519,127791,LLYYNOVSVPBRGV-FMWPFBIJSA-N,N/A,C31H52N2O5S,564.826,7
Q7915670,2762720,"2-[3-[2-Butan-2-yl-6-(1H-indol-3-yl)-3-oxo-7H-imidazo[1,2-a]pyrazin-8-yl]propyl]guanidine","2-[3-[2-butan-2-yl-6-(1H-indol-3-yl)-3-oxo-7H-imidazo[1,2-a]pyrazin-8-yl]propyl]guanidine",C22H27N7O,405.506,0
Q7921024,512877,Verdamicin,"(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-[(1S)-1-aminoethyl]-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol",C20H39N5O7,461.56,12
Q7923143,5662,2-(4-Phenylpiperidin-1-yl)cyclohexan-1-ol,2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol,C17H25NO,259.393,0
Q7957934,10314993,"Cyclohexanol, 1-[1-(3-chlorophenyl)-2-(4-methyl-1-piperazinyl)ethyl]-",1-[1-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol,C19H29ClN2O,336.904,0
Q8041945,9918582,Exeporfinium chloride,"trimethyl-[3-[4-[15-[4-[3-(trimethylazaniumyl)propoxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]propyl]azanium;dichloride",C44H50Cl2N6O2,765.824,0
Q8043134,5378293,Xantocillin,"4-[(1Z,3Z)-4-(4-hydroxyphenyl)-2,3-diisocyanobuta-1,3-dienyl]phenol",C18H12N2O2,288.306,0
Q8052674,5462519,Yersiniabactin,"(4S)-2-[(1S)-1-hydroxy-2-methyl-1-[(4R)-2-[(2E,4R)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3-thiazolidin-4-yl]-1,3-thiazolidin-4-yl]propan-2-yl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid",C21H27N3O4S3,481.644,4
Q8059839,166823,Ytterbium sulfate anhydrous,ytterbium(3+);trisulfate,O12S3Yb2,634.276,0
Q8213894,16211989,Benzyltrimethylammonium fluoride hydrate,benzyl(trimethyl)azanium;fluoride;hydrate,C10H18FNO,187.258,0
Q8214050,73518,Basic blue 24,"ethyl-[7-(ethylamino)-2,8-dimethylphenothiazin-3-ylidene]azanium;chloride",C18H22ClN3S,347.905,0
Q9137074,5288801,"(2S,3S,8S,9S)-3-Amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid","(2S,3S,4E,6E,8R,9R)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid",C20H29NO3,331.456,4
Q9291459,10129950,Silver Hydroxide,silver;hydroxide,AgOH,124.875,0
Q9444186,205982,Methyl 4-methyl-1H-pyrrole-2-carboxylate,methyl 4-methyl-1H-pyrrole-2-carboxylate,C7H9NO2,139.154,0
Q9504371,5463970,Dodecenylsuccinic acid,2-[(E)-dodec-1-enyl]butanedioic acid,C16H28O4,284.396,0
Q9545624,11918,"1,1-Diphenylethane",1-phenylethylbenzene,C14H14,182.266,0
Q10389869,5473883,"4-[(E)-2-(1-Ethyl-2H-quinolin-2-yl)ethenyl]-N,N-dimethylaniline","4-[(E)-2-(1-ethyl-2H-quinolin-2-yl)ethenyl]-N,N-dimethylaniline",C21H24N2,304.437,0
Q10564318,6100350,Sodium zirconium oxide,disodium;dioxido(oxo)zirconium,Na2O3Zr,185.201,0
Q10843743,7789,12-Hydroxystearic acid,12-hydroxyoctadecanoic acid,C18H36O3,300.483,0
Q10844269,12310,Pent-2-yne,pent-2-yne,C5H8,68.119,0
Q10858037,119478,Methyl ecgonidine,"methyl (1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate",C10H15NO2,181.235,2
Q10859059,94160,Mitraphylline,"methyl (1S,4aS,5aS,6R,10aR)-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate",C21H24N2O4,368.433,5
Q10859487,127406,"3,5-Tri-O-galloylquinic acid","(3R,5R)-1-hydroxy-3,4,5-tris[(3,4,5-trihydroxybenzoyl)oxy]cyclohexane-1-carboxylic acid",C28H24O18,648.482,2
Q10859631,198346,Arginine pidolate,H-Arg-OH.H-Pyr-OH,C11H21N5O5,303.319,2
Q10859673,27919,N-Nitrosonornicotine,3-(1-nitrosopyrrolidin-2-yl)pyridine,C9H11N3O,177.207,0
Q10859788,9984420,Isorenieratene,"1,2,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,3,6-trimethylphenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]benzene",C40H48,528.824,0
Q10860355,110678,"2,2-Bis[4-(2,3-dihydroxypropoxy)phenyl]propane","3-[4-[2-[4-(2,3-dihydroxypropoxy)phenyl]propan-2-yl]phenoxy]propane-1,2-diol",C21H28O6,376.449,0
Q10861003,23144,"Cortisol, 21-butyrate","[2-[(17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] butanoate",C25H36O6,432.557,1
Q10861060,11969567,OWPCHSCAPHNHAV-RXNAXTICSA-N,N/A,C35H47NO9,625.759,11
Q10861089,5205637,HPHXKNOXVBFETI-UHFFFAOYSA-N,N/A,C28H46O5,462.671,0
Q10864413,5355856,Geranyl butyrate,"[(2E)-3,7-dimethylocta-2,6-dienyl] butanoate",C14H24O2,224.344,0
Q10866229,16683069,Tripropylaluminum,tripropylalumane,C9H21Al,156.249,0
Q10880252,23673524,"Sodium 2,6-dichloro-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate","sodium;2,6-dichloro-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate",C12H6Cl2NNaO2,290.075,0
Q10880271,3085953,Dibromoxenon,dibromoxenon,Br2Xe,291.101,0
Q11122452,9938372,"Tricesium;2-hydroxypropane-1,2,3-tricarboxylate","tricesium;2-hydroxypropane-1,2,3-tricarboxylate",C6H5Cs3O7,587.815,0
Q11123264,71373846,Propane-1-selenol,propane-1-selenol,C3H8Se,123.068,0
Q11129367,23236092,(Pentafluoro-$l^{6}-selanyl) hypofluorite,(pentafluoro-$l^{6}-selanyl) hypofluorite,F6OSe,208.96,0
Q11129393,23685553,Cesium chlorate,cesium;chlorate,CsClO3,216.352,0
Q11129398,23685983,Rubidium cyanide,rubidium(1+);cyanide,RbCN,111.486,0
Q11163063,44307202,VQGDMQICNRCQEH-ZNSGIYGDSA-N,"7-methoxy-1-(2-morpholin-4-ylethyl)-N-[(1R,4S)-2,2,4-trimethyl-3-bicyclo[2.2.1]heptanyl]indole-3-carboxamide",C26H37N3O3,439.6,2
Q11291863,138925,Octatetracontane,octatetracontane,C48H98,675.312,0
Q11325709,15043574,Nonatetracontane,nonatetracontane,C49H100,689.339,0
Q11337546,81067,Pentacontane,pentacontane,C50H102,703.366,0
Q11786072,158385,Motexafin gadolinium,N/A,C52H72GdN5O14,1148.419,0
Q11878802,81613,Hentetracontane,hentetracontane,C41H84,577.123,0
Q12039474,123244,Dotetracontane,dotetracontane,C42H86,591.15,0
Q12062354,50105823,QRHRLWZVBXNCRS-UHFFFAOYSA-N,"N-[1-[2-chloro-5-(trifluoromethyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide",C35H37ClF5N5O4,722.154,0
Q12451422,863,Thioctic acid amide,5-(dithiolan-3-yl)pentanamide,C8H15NOS2,205.334,0
Q12744507,22496603,"1-(8,9-Dihydropyrano[2,3-g]indazol-1(7H)-yl)propan-2-amine","1-(8,9-dihydro-7H-pyrano[2,3-g]indazol-1-yl)propan-2-amine",C13H17N3O,231.299,0
Q12746850,10225553,YFAPUSXUACZEQJ-UHFFFAOYSA-N,"6-[[1-[3-(2-methylquinolin-5-yl)oxypropyl]piperidin-4-yl]methyl]-4H-1,4-benzoxazin-3-one",C27H31N3O3,445.563,0
Q13019044,36273,Amdinocillin,"(2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",C15H23N3O3S,325.427,3
Q13024942,443081,DKOQGJHPHLTOJR-OXQOHEQNSA-N,"(6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate",C22H22N6O5S2,514.575,2
Q13427537,11761,"2,3-Dinitrotoluene","1-methyl-2,3-dinitrobenzene",C7H6N2O4,182.135,0
Q13553949,7061097,Lagochilin,"(1R,2S,4aS,5R,5'S,6R,8aS)-5'-(2-hydroxyethyl)-1,5'-bis(hydroxymethyl)-1,4a,6-trimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxolane]-2-ol",C20H36O5,356.503,7
Q13566119,197001,Nantenine,N/A,C20H21NO4,339.391,1
Q13578067,28806639,(2S)-1-(4-Methyl-1H-indol-3-yl)propan-2-amine,(2S)-1-(4-methyl-1H-indol-3-yl)propan-2-amine,C12H16N2,188.274,1
Q14035740,14974,Pristinamycin IA,N/A,C45H54N8O10,866.973,0
Q14035811,44259428,Myricetin 3-rutinoside,"5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3-[(2S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one",C27H30O17,626.52,5
Q14035814,15940571,Isomigrastatin,"4-[(E,5S)-7-[(2R,3S,4S,5S,6E,10E)-4-hydroxy-5-methoxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione",C27H39NO7,489.609,5
Q14200355,6436247,Herbimycin a,"[(2R,3S,5S,6R,7S,8E,10S,11S,12E,14E)-2,5,6,11-tetramethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate",C30H42N2O9,574.671,7
Q14405541,102496082,Anthracimycin,N/A,C25H32O4,396.527,7
Q14521943,41969,Canbisol,"6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,8,9,10,10a-hexahydrobenzo[c]chromene-1,9-diol",C24H38O3,374.565,0
Q14921880,75822,Chloro(diphenyl)stibane,chloro(diphenyl)stibane,C12H10ClSb,311.422,0
Q14949467,10057089,JWWAHGUHYLWQCQ-UHZBFKKDSA-N,cyclo[D-Ala-OVal-Val-D-OLeu-D-Ala-OVal-Val-D-OLeu-D-Ala-OVal-Val-D-OLeu],C57H96N6O18,1153.419,12
Q15088351,12444822,CID 12444822,N/A,C22H26N2O3,366.461,0
Q15133281,6451387,"(2S,3R)-2-[(E)-Non-1-en-3,5,7-triynyl]oxan-3-ol","(2S,3R)-2-[(E)-non-1-en-3,5,7-triynyl]oxan-3-ol",C14H14O2,214.264,2
Q15269704,177017,N-Methylcrychine,N/A,C20H20NO4+,338.383,0
Q15408415,451651,CID 451651,"[(3R,4S,5R)-5-hydroxy-6-[2-hydroxy-3-[[5-[[2-hydroxy-7-[(3R,4S,5R)-3-hydroxy-5-methoxy-6,6-dimethyl-4-(5-methyl-1H-pyrrole-2-carbonyl)oxyoxan-2-yl]oxy-8-methyl-4-oxochromen-3-yl]carbamoyl]-4-methyl-1H-pyrrole-3-carbonyl]amino]-8-methyl-4-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] 5-methyl-1H-pyrrole-2-carboxylate",C55H59N5O20,1110.092,6
Q15408428,10176265,Acetylcysteine amide,(2R)-2-acetamido-3-sulfanylpropanamide,C5H10N2O2S,162.207,1
Q15409363,130449551,"(3-Amino-5,7-diethyl-1-adamantyl) nitrate","(3-amino-5,7-diethyl-1-adamantyl) nitrate",C14H24N2O3,268.357,0
Q15409364,21740,Potassium nitrazepate,"potassium;7-nitro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylate",C16H10KN3O5,363.37,0
Q15409373,3083791,BFYWWTIGNJJAHF-DDTKZYEJSA-N,"[(4S,4aR,7S,7aR,12bS)-3-prop-2-enyl-9-(pyridine-3-carbonyloxy)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl] pyridine-3-carboxylate",C31H27N3O5,521.573,5
Q15409399,51047,Lortalamine,N/A,C15H17ClN2O2,292.763,1
Q15409426,156375,Iofetamine (123I),1-(4-iodanylphenyl)-N-propan-2-ylpropan-2-amine,C12H18IN,299.189,0
Q15409424,23671932,Ipodate sodium,"sodium;3-[3-(dimethylaminomethylideneamino)-2,4,6-triiodophenyl]propanoate",C12H12I3N2NaO2,619.943,0
Q15409431,216286,Ibazocine,N/A,C20H29NO,299.458,0
Q15409437,9399,Hemicholine,"2-[4-[4-(2-hydroxy-4,4-dimethylmorpholin-4-ium-2-yl)phenyl]phenyl]-4,4-dimethylmorpholin-4-ium-2-ol;dibromide",C24H34Br2N2O4,574.354,0
Q15410157,10860829,DMGAPZQHWZFIRE-GRGSLBFTSA-N,"[(4R,4aS,7aR,12bS)-4a-hydroxy-3-methyl-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-9-yl] acetate",C19H21NO5,343.379,4
Q15410217,24872662,SSXJHGLTISPZNE-HXUWFJFHSA-N,"6-[[3-chloro-2,4-difluoro-5-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid",C27H27ClF2N2O6,548.968,1
Q15410232,10141109,Aildenafil,"5-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]sulfonyl-2-ethoxyphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one",C23H32N6O4S,488.607,2
Q15410255,5459129,Austrocortilutein,"(3S)-1,3,8-trihydroxy-6-methoxy-3-methyl-2,4-dihydro-1H-anthracene-9,10-dione",C16H16O6,304.298,1
Q15410253,25245230,CID 25245230,"(3S,5S,10S,13R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol",C29H48O,412.702,5
Q15410856,11368680,Castoramine,"[(3S,6S,9R,9aS)-6-(furan-3-yl)-9-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]methanol",C15H23NO2,249.354,4
Q15410921,25201832,CID 25201832,N/A,C82H56O51-2,1857.299,10
Q18228507,6096985,Carbon monoxide; diiodoiron,carbon monoxide;diiodoiron,C4FeI2O4,421.694,0
Q18228507,519026,Carbon monoxide;diiodoiron,carbon monoxide;diiodoiron,C4FeI2O4,421.694,0
Q18228511,13539873,Carbon monoxide;cobalt;nitroxyl anion,carbon monoxide;cobalt;nitroxyl anion,C3CoNO4-,172.969,0
Q18235367,44135909,Selenocyanatosodium,selenocyanatosodium,CNNaSe,127.979,0
Q18235367,13927398,Sodium;selenocyanate,sodium;selenocyanate,CNNaSe,127.979,0
Q18235375,85017,Ferric iodide,iron(3+);triiodide,FeI3,436.558,0
Q18345163,68266,2-Tetralone,"3,4-dihydro-1H-naphthalen-2-one",C10H10O,146.189,0
Q18350699,959043,"N-(4-(2,4-Dimethylphenyl)thiazol-2-yl)benzamide","N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide",C18H16N2OS,308.399,0
Q18387387,538967,Chlorodiisopropylphosphine,chloro-di(propan-2-yl)phosphane,C6H14ClP,152.602,0
Q18411248,4457151,URORLZXVTFVIPS-UHFFFAOYSA-N,N/A,C36H32N4+4,520.68,0
Q18455785,349073,"3-(2,4-Dinitrophenyl)-2,4,6-trinitrobenzoic acid","3-(2,4-dinitrophenyl)-2,4,6-trinitrobenzoic acid",C13H5N5O12,423.206,0
Q18456227,276120,Tetranonacontane,tetranonacontane,C94H190,1320.554,0
Q18456225,22086360,Tetraoctacontane,tetraoctacontane,C84H170,1180.284,0
Q18456231,521846,Tetrapentacontane,tetrapentacontane,C54H110,759.474,0
Q18456228,522645,Tetrahexacontane,tetrahexacontane,C64H130,899.744,0
Q18456232,15043585,Tetraheptacontane,tetraheptacontane,C74H150,1040.014,0
Q18456290,522398,Tritetracontane,tritetracontane,C43H88,605.177,0
Q18456291,20111972,Trioctacontane,trioctacontane,C83H168,1166.257,0
Q18456298,15043576,Tripentacontane,tripentacontane,C53H108,745.447,0
Q18456296,23391381,Trinonacontane,trinonacontane,C93H188,1306.527,0
Q18456297,15043579,Trihexacontane,trihexacontane,C63H128,885.717,0
Q18456312,522649,Dooctacontane,dooctacontane,C82H166,1152.23,0
Q18456319,23391373,Dononacontane,dononacontane,C92H186,1292.5,0
Q18456327,522643,Dopentacontane,dopentacontane,C52H106,731.42,0
Q18456324,522644,Dohexacontane,dohexacontane,C62H126,871.69,0
Q18456325,12441704,Doheptacontane,doheptacontane,C72H146,1011.96,0
Q18456391,18980672,Nonacontane,nonacontane,C90H182,1264.446,0
Q18456389,53995935,Nonaoctacontane,nonaoctacontane,C89H180,1250.419,0
Q18456392,20603192,Nonanonacontane,nonanonacontane,C99H200,1390.689,0
Q18456393,15043590,Nonaheptacontane,nonaheptacontane,C79H160,1110.149,0
Q18456678,522646,Hexahexacontane,hexahexacontane,C66H134,927.798,0
Q18456676,22086344,Hexaoctacontane,hexaoctacontane,C86H174,1208.338,0
Q18456677,522399,Hexatetracontane,hexatetracontane,C46H94,647.258,0
Q18456680,15043587,Hexaheptacontane,hexaheptacontane,C76H154,1068.068,0
Q18456681,3702843,Hexapentacontane,hexapentacontane,C56H114,787.528,0
Q18456686,15043573,Heptatetracontane,heptatetracontane,C47H96,661.285,0
Q18456684,522648,Heptacontane,heptacontane,C70H142,983.906,0
Q18456694,522647,Heptahexacontane,heptahexacontane,C67H136,941.825,0
Q18456692,91383599,Heptanonacontane,heptanonacontane,C97H196,1362.635,0
Q18456698,521847,Heptapentacontane,heptapentacontane,C57H116,801.555,0
Q18456699,22086342,Henoctacontane,henoctacontane,C81H164,1138.203,0
Q18456697,15043588,Heptaheptacontane,heptaheptacontane,C77H156,1082.095,0
Q18456702,14009496,Henhexacontane,henhexacontane,C61H124,857.663,0
Q18456701,23391376,Hennonacontane,hennonacontane,C91H184,1278.473,0
Q18456704,15043583,Henheptacontane,henheptacontane,C71H144,997.933,0
Q18456705,15043575,Henpentacontane,henpentacontane,C51H104,717.393,0
Q18456723,14598280,Pentatetracontane,pentatetracontane,C45H92,633.231,0
Q18456720,22086358,Pentaoctacontane,pentaoctacontane,C85H172,1194.311,0
Q18456726,15043577,Pentapentacontane,pentapentacontane,C55H112,773.501,0
Q18456724,522246,Pentanonacontane,pentanonacontane,C95H192,1334.581,0
Q18456725,15043580,Pentahexacontane,pentahexacontane,C65H132,913.771,0
Q18620079,5359970,Chromotrope 2R,"disodium;(3E)-5-hydroxy-4-oxo-3-(phenylhydrazinylidene)naphthalene-2,7-disulfonate",C16H10N2Na2O8S2,468.362,0
Q18620079,5359970,Chromotrope 2R,"disodium;(3E)-5-hydroxy-4-oxo-3-(phenylhydrazinylidene)naphthalene-2,7-disulfonate",C16H10N2Na2O8S2,468.362,0
Q18651484,11284798,"Bismuth, pentaphenyl-",pentakis-phenylbismuth,C30H25Bi,594.51,0
Q18651988,15191028,Sulfonylazide,sulfuryl diazide,N6O2S,148.1,0
Q18654125,166975,Iron trichlorate,iron(3+);trichlorate,Cl3FeO9,306.186,0
Q18747599,101946448,Platinum;selenium,platinum;selenium,PtSe2,353.026,0
Q19520980,15604504,RSOBJVBYZCMJOS-UHFFFAOYSA-N,"2,2,2-trifluoroethyl N-[3-methyl-1-[(4-methylbenzoyl)amino]butan-2-yl]carbamate",C16H21F3N2O3,346.35,0
Q19596037,60017,Berefrine,"3-(2-tert-butyl-3-methyl-1,3-oxazolidin-5-yl)phenol",C14H21NO2,235.327,0
Q19597253,216226,N-(4-Methoxyphenyl)-N'-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]propanediamide,N-(4-methoxyphenyl)-N'-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]propanediamide,C20H21F3N2O3,394.394,0
Q19614043,15381336,Tribromoosmium,tribromoosmium,Br3Os,429.942,0
Q19903962,73759,"2,2'-Dipicolylamine",1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine,C12H13N3,199.257,0
Q20054532,12251,Methoxyacetic acid,2-methoxyacetic acid,C3H6O3,90.078,0
Q20816880,5962,Lysine,H-Lys-OH,C6H14N2O2,146.19,1
Q20817136,16051924,Hydroxystilbamidine isethionate,"(4Z)-4-[2-[4-(diaminomethylidene)cyclohexa-2,5-dien-1-ylidene]ethylidene]-3-oxocyclohexa-1,5-diene-1-carboximidamide;2-hydroxyethanesulfonic acid",C20H28N4O9S2,532.583,0
Q20880500,6450263,Abikoviromycin,N/A,C10H11NO,161.204,2
Q20890379,15043578,Nonapentacontane,nonapentacontane,C59H120,829.609,0
Q20890380,24318,Hexacontane,hexacontane,C60H122,843.636,0
Q20890381,15043582,Nonahexacontane,nonahexacontane,C69H140,969.879,0
Q20890398,15043586,Pentaheptacontane,pentaheptacontane,C75H152,1054.041,0
Q20890397,15043584,Triheptacontane,triheptacontane,C73H148,1025.987,0
Q20890407,22086343,Heptaoctacontane,heptaoctacontane,C87H176,1222.365,0
Q20890412,12441705,Hexanonacontane,hexanonacontane,C96H194,1348.608,0
Q20965191,11083915,"Potassium, (phenylmethyl)-",potassium;methanidylbenzene,C7H7K,130.231,0
Q20979871,4280986,Barium(2+);dioxido(dioxo)tungsten,barium(2+);dioxido(dioxo)tungsten,BaO4W,385.163,0
Q21045149,6327659,Diphenylsilane,"cyclohexa-2,5-dien-1-ylidene(phenyl)silanide",C12H10Si,182.297,0
Q21045227,10268,3-Furoic acid,furan-3-carboxylic acid,C5H4O3,112.084,0
Q21096201,119025985,1-Propionyl-lysergic acid diethylamide,"(6aR,9R)-N,N-diethyl-7-methyl-4-propanoyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide",C23H29N3O2,379.504,2
Q21098845,56840930,Trengestone,"(8S,9R,10S,13S,14S,17S)-17-acetyl-6-chloro-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one",C21H25ClO2,344.879,6
Q21099121,2723951,Diaminomaleonitrile,"(Z)-2,3-diaminobut-2-enedinitrile",C4H4N4,108.104,0
Q21099522,519482,"1,1,2,2,2-Pentakis-phenylethylbenzene","1,1,2,2,2-pentakis-phenylethylbenzene",C38H30,486.658,0
Q21099603,10007601,Dysidenin,"(2S,4S)-5,5,5-trichloro-4-methyl-2-[methyl-[(3S)-4,4,4-trichloro-3-methylbutanoyl]amino]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pentanamide",C17H23Cl6N3O2S,546.15,4
Q21099606,107880,"Pisatin, (-)-",N/A,C17H14O6,314.293,2
Q21099610,5250558,Difluorophosphinate,difluorophosphinate,F2O2P-,100.969,0
Q21099670,137603,"1,6-Methano[10]annulene","bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene",C11H10,142.201,0
Q21400577,11377022,Albitiazolium bromide,"2-[3-[12-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]dodecyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;dibromide",C24H42Br2N2O2S2,614.54,0
Q21425633,24830,Mercury(I) bromide,bromomercury,Hg2Br2,280.496,0
Q21512238,3571581,"2-Tert-Butyl-1,1,3,3-tetramethylguanidine","2-tert-butyl-1,1,3,3-tetramethylguanidine",C9H21N3,171.288,0
Q22289655,10219931,Cerium(4+);tetrahydroxide,cerium(4+);tetrahydroxide,CeH4O4,208.144,0
Q22674436,6451471,Pentazine,pentazine,CHN5,83.054,0
Q22807798,92286492,(R)-Flurtamone,(2R)-5-(methylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one,C18H14F3NO2,333.31,1
Q22984448,75,3-Aminopropanal,3-aminopropanal,C3H7NO,73.095,0
Q23048396,90795788,Kaempferol 3-O-rhamnoside-7-O-glucoside,"5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one",C27H30O15,594.522,10
Q23048892,16129623,Cinnamtannin III,N/A,C90H74O36,1731.546,17
Q23049780,51402809,CQLRUIIRRZYHHS-BYXQHVMRSA-N,"5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one",C22H22O12,478.406,5
Q23055213,51521836,UHNXUSWGOJMEFO-LELZANKISA-N,"5,7-dihydroxy-2-[3-hydroxy-4-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one",C21H20O11,448.38,5
Q23055237,5378220,Farnisin,7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one,C16H12O5,284.267,0
Q23055293,5284649,"4',6,7-Trihydroxyisoflavone","6,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one",C15H10O5,270.24,0
Q15410941,54726192,Eravacycline,"(4S,4aS,5aR,12aR)-4-(dimethylamino)-7-fluoro-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[(2-pyrrolidin-1-ylacetyl)amino]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide",C27H31FN4O8,558.563,4
Q15410959,6436348,Germacrone,"(3E,7E)-3,7-dimethyl-10-propan-2-ylidenecyclodeca-3,7-dien-1-one",C15H22O,218.34,0
Q15410989,495605,Hopeaphenol,N/A,C56H42O12,906.94,0
Q15411007,56678424,CID 56678424,N/A,C155H251N47O38S2,3445.124,0
Q15411026,16129733,Indolicidin,H-Ile-Leu-Pro-Trp-Lys-Trp-Pro-Trp-Trp-Pro-Trp-Arg-Arg-NH2,C100H132N26O13,1906.325,14
Q15425287,10315501,ONCGMAFAIBLDNP-GYGBFYAFSA-N,"(3S,4aR,8R,9aS,9bS)-8-hydroxy-2-methyl-3-[(E)-non-1-enyl]-4a,7,8,9,9a,9b-hexahydro-3H-cyclopenta[f]chromen-5-one",C22H32O3,344.495,5
Q15425284,24898625,MEBGNTRISZPTBP-UHFFFAOYSA-N,N/A,C46H36Cl2N8O6,867.744,0
Q15425783,56664209,CID 56664209,"[(8Z)-5-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] 3-methylbutanoate",C22H30O8,422.474,0
Q15425824,443401,Minovincinine,N/A,C21H26N2O3,354.45,3
Q15425825,586568,"Minovincine, 16-methoxy-",N/A,C22H26N2O4,382.46,0
Q15426197,56681504,CID 56681504,"1,6,8-trihydroxy-5-[5-(hydroxymethyl)-6-methyl-4-(methylamino)oxan-2-yl]-3-methylbenzo[a]anthracene-7,12-dione",C27H27NO7,477.513,0
Q15426245,442753,Knipholone,"1-(3-acetyl-2,6-dihydroxy-4-methoxyphenyl)-4,5-dihydroxy-2-methylanthracene-9,10-dione",C24H18O8,434.4,0
Q15427844,6444325,Strictamin,N/A,C20H22N2O2,322.408,3
Q15427885,8146164,KDIVZFDFRRVWFB-CQSZACIVSA-N,"ethyl (3R)-1-[(4-methyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-3-carboxylate",C17H23N5O2S,361.464,1
Q15427895,131908,NLPSSNXRGVDJMP-NTOIUUNRSA-N,N/A,C35H42O14,686.707,11
Q15427926,11226788,Yunnanxane,N/A,C31H46O9,562.7,7
Q15427938,94255,Vincadifformine,N/A,C21H26N2O2,338.451,3
Q15605490,43806,"1,2-Diaminocyclohexane, (-)-","(1R,2R)-cyclohexane-1,2-diamine",C6H14N2,114.192,2
Q15624043,10101379,Naphthomycin A,N/A,C40H46ClNO9,720.256,6
Q15627472,160923,Cupric selenite,copper;selenite,CuO3Se,190.514,0
Q15627963,26060,Cadmium phosphate,cadmium(2+);diphosphate,Cd3(PO4)2,527.182,0
Q15627973,197815,Cadmium formate,cadmium(2+);diformate,C2H2CdO4,202.448,0
Q15627996,168102,Yttrium acetate,yttrium(3+);triacetate,C6H9O6Y,266.038,0
Q15628029,22572463,Ytterbium;sulfate,ytterbium;sulfate,O4SYb-2,269.11,0
Q15628085,11212117,Indium(3+) perchlorate,indium(3+);triperchlorate,Cl3InO12,413.156,0
Q15628113,22178528,Iron(2+) dioxido(dioxo)tungsten,dioxido(dioxo)tungsten;iron(2+),FeWO4,303.681,0
Q15628254,166640,Holmium sulfide,holmium(3+);trisulfide,Ho2S3,426.041,0
Q15628348,166873,Gadolinium sulfate,gadolinium(3+);trisulfate,Gd2O12S3,602.668,0
Q15628417,6455708,Muscaridine,"[(4R,5S)-4,5-dihydroxyhexyl]-trimethylazanium",C9H22NO2+,176.28,2
Q15630020,82942,Dipotassium telluride,potassiotellanylpotassium,K2Te,205.797,0
Q15632727,2724160,4-Isopropenylcyclohexene-1-carboxylic acid,(4S)-4-prop-1-en-2-ylcyclohexene-1-carboxylic acid,C10H14O2,166.22,1
Q15632742,16682738,Dibutylbis(lauroyloxy)tin,[dibutyl(dodecanoyloxy)stannyl] dodecanoate,C32H64O4Sn,631.57,0
Q15632788,7925,Diethyl (5-methyl-1H-pyrazol-3-yl) phosphate,diethyl (5-methyl-1H-pyrazol-3-yl) phosphate,C8H15N2O4P,234.192,0
Q15633962,57156384,SGZVEWGAZGOWGP-VUOSCMKMSA-N,"N-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]methyl]acetamide",C18H23N3O,297.402,2
Q15634054,162740,Bisnortilidine,"ethyl (1R,2S)-2-amino-1-phenylcyclohex-3-ene-1-carboxylate",C15H19NO2,245.322,2
Q15634055,5484197,Binaltorphimine,N/A,C41H45N3O6,675.826,8
Q15634052,6621435,"2-Phenyl-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one","2-phenyl-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one",C15H10N4O,262.272,0
Q15634079,9839925,LITNEAPWQHVPOK-UHFFFAOYSA-N,"5-[3-(3-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]-1,3-diazinan-2-one",C18H24N2O3,316.401,0
Q15634090,6431184,"Indeno[2,1-a]indene","indeno[2,1-a]indene",C16H10,202.256,0
Q15634096,11940,"9,10-Dihydroanthracene","9,10-dihydroanthracene",C14H12,180.25,0
Q15634101,3086083,Tabilautide,"(2S,6S)-6,7-diamino-2-[[(4R)-4-carboxy-4-[[(2S)-2-(dodecanoylamino)propanoyl]amino]butanoyl]amino]-7-oxoheptanoic acid",C27H49N5O8,571.716,4
Q15634126,44566758,TVPHSOXWTLOHCG-CCISYGEFSA-N,N/A,C19H24N2O,296.414,5
Q15634177,19969,"Cyclohepta-1,3-diene","cyclohepta-1,3-diene",C7H10,94.157,0
Q15634215,11075129,"1,3-Bis[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol","1,3-bis[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol",C13H26N2O,226.364,2
Q15634228,10086155,Methylliderone,"4,5-dimethoxy-2-[(E)-1-methoxy-3-phenylprop-2-enylidene]cyclopent-4-ene-1,3-dione",C17H16O5,300.31,0
Q15708035,441979,Alstonine,N/A,C21H20N2O3,348.402,3
Q15708273,15942744,Mexrenone,"methyl (7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate",C24H32O5,400.515,7
Q15709156,9734,Disodium maleate,disodium;but-2-enedioate,C4H2Na2O4,160.036,0
Q15711205,107744,Aldophosphamide,3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropanal,C7H15Cl2N2O3P,277.082,0
Q15714553,102011382,Ethyne;potassium,ethyne;potassium,C2K2,102.219,0
Q15719293,23695591,Lithium chloroacetate,lithium;2-chloroacetate,C2H2ClLiO2,100.426,0
Q15720548,9905162,Monacolin J,"(4R,6R)-6-[2-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxyoxan-2-one",C19H28O4,320.429,7
Q15720554,3084126,"11,11'-Dideoxyverticillin A",N/A,C30H28N6O4S4,664.832,8
Q15720561,46230832,(2S)-2-Methoxy-2-methylchromen-6-ol,(2S)-2-methoxy-2-methylchromen-6-ol,C11H12O3,192.214,1
Q15726010,7694,4-Butylaniline,4-butylaniline,C10H15N,149.237,0
Q15726009,82829,Bis(tellanylidene)manganese,bis(tellanylidene)manganese,MnTe2,310.138,0
Q15726026,15301644,"Cyclopenta-1,3-dien-1-ol","cyclopenta-1,3-dien-1-ol",C5H6O,82.102,0
Q15726039,9818426,Aluminium dihydrogen phosphate,aluminum;dihydrogen phosphate,AlH6O12P3,317.939,0
Q15726050,75110,Itaconic anhydride,"3-methylideneoxolane-2,5-dione",C5H4O3,112.084,0
Q15726048,11253952,ZINC dihydrogen phosphate,zinc;dihydrogen phosphate,H4O8P2Zn,259.352,0
Q15726058,71311066,Iron phosphide (Fe2P),N/A,Fe2P,142.664,0
Q15726097,11559,5-Methylfuran-2(3H)-one,5-methyl-3H-furan-2-one,C5H6O2,98.101,0
Q15730277,137100,Selanylidenemethanone,selanylidenemethanone,COSe,106.981,0
Q15926183,23711816,Lithium periodate,lithium;periodate,LiIO4,197.84,0
Q15927659,24901794,JNRVXPNVJHVXIL-UHFFFAOYSA-N,4-(furan-2-yl)-2-propan-2-ylpyrimidine-5-carbonitrile,C12H11N3O,213.24,0
Q15935192,169244,Dicesium selenide,dicesium;selenium(2-),Cs2Se,344.782,0
Q16039698,71587188,Ultramarine blue,N/A,Al6Na8O24S3Si6,994.473,0
Q16628040,61621,Bromosilane,bromosilane,BrH3Si,111.013,0
Q16631665,11738337,Cobalt(2+);dioxido(dioxo)tungsten,cobalt(2+);dioxido(dioxo)tungsten,CoO4W,306.769,0
Q16644081,139586,Dibromosilane,dibromosilane,Br2H2Si,189.909,0
Q16644176,139466,Diiodosilane,diiodosilane,H2I2Si,283.91,0
Q16681088,3458974,Potassium azanidylidene(trioxo)osmium,potassium;azanidylidene(trioxo)osmium,KNO3Os,291.332,0
Q16707472,139463,Triiodosilane,triiodosilane,HI3Si,409.806,0
Q16707512,139462,Trifluorosilane,trifluorosilane,F3HSi,86.088,0
Q16714790,61614,Cobalt(2+); dioxido(dioxo)chromium,cobalt(2+);dioxido(dioxo)chromium,CoCr2O4,174.925,0
Q16854884,57351516,Neodymium(II) iodide,neodymium;diiodide,NdI2,398.051,0
Q17074532,78975,"Perfluoro-1,3-dimethylcyclohexane","1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(trifluoromethyl)cyclohexane",C8F16,400.062,0
Q17239491,91489952,Octaoctacontane,octaoctacontane,C88H178,1236.392,0
Q17239494,10534511,Octanonacontane,octanonacontane,C98H198,1376.662,0
Q17239493,15043591,Octacontane,octacontane,C80H162,1124.176,0
Q17239502,522626,Octapentacontane,octapentacontane,C58H118,815.582,0
Q17239500,15043581,Octahexacontane,octahexacontane,C68H138,955.852,0
Q17299859,53395175,"5-[2-(3,4-Dimethoxyphenyl)ethenyl]benzene-1,3-diol","5-[2-(3,4-dimethoxyphenyl)ethenyl]benzene-1,3-diol",C16H16O4,272.3,0
Q17318234,25021867,Manganese benzoate,manganese(2+);dibenzoate;tetrahydrate,C14H18MnO8,369.228,0
Q17989757,15043589,Octaheptacontane,octaheptacontane,C78H158,1096.122,0
Q17992514,136146,Cycloheptadecane,cycloheptadecane,C17H34,238.459,0
Q18155805,139314,Nitric acid;titanium,nitric acid;titanium,H4N4O12Ti,299.915,0
Q18209997,69211190,Bcx-4430 hydrochloride,"(2S,3S,4R,5R)-2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride",C11H16ClN5O3,301.731,4
Q18211703,5222468,"2,2-Dioxo-1,3-dioxa-2-tungsta-4-magnesacyclobutane",magnesium;dioxido(dioxo)tungsten,MgO4W,272.141,0
Q18211743,84239,Dioxido(dioxo)tungsten; manganese(2+),dioxido(dioxo)tungsten;manganese(2+),MnO4W,302.774,0
Q18211741,10978692,Carbon monoxide;manganese;bromide,carbon monoxide;manganese;bromide,C5BrMnO5-,274.892,0
Q18211741,10978692,Carbon monoxide;manganese;bromide,carbon monoxide;manganese;bromide,C5BrMnO5-,274.892,0
Q18211802,16217046,Copper;dioxido(dioxo)molybdenum,copper;dioxido(dioxo)molybdenum,CuMoO4,223.492,0
Q18211990,84240,Nickel tungsten tetraoxide,dioxido(dioxo)tungsten;nickel(2+),NiO4W,306.529,0
Q18212000,84241,Molybdenum nickel tetraoxide,dioxido(dioxo)molybdenum;nickel(2+),MoNiO4,218.639,0
Q18212010,15531081,Dinickel orthosilicate,nickel(2+);silicate,Ni2O4Si,209.468,0
Q18212011,14767304,Nickel silicide,N/A,Ni2Si,145.472,0
Q18212008,167099,Dinickel diphosphate,nickel(2+);phosphonato phosphate,Ni2O7P2,291.327,0
Q18212142,82934,Dilithium telluride,N/A,Li2Te,141.48,0
Q23055362,11016019,Diosmetin 7-O-glucoside,"5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one",C22H22O11,462.407,5
Q23068576,442154,Afzelechin,"(2R,3S)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol",C15H14O5,274.272,2
Q23371022,5378518,"7-Hydroxy-3',4'-dimethoxyflavone","2-(3,4-dimethoxyphenyl)-7-hydroxychromen-4-one",C17H14O5,298.294,0
Q23415669,5483905,Kaempferol 7-neohesperidoside,"7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one",C27H30O15,594.522,10
Q23417673,51652818,PZZRDJXEMZMZFD-SQIUQIIDSA-N,"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one",C20H18O11,434.353,4
Q23449332,44256799,Cyanidin 3-O-[2''-O-(xylosyl) glucoside] 5-O-(6'''-O-malonyl) glucoside,"3-[[(3S,5S,6S)-6-[3-[(2S,3S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-7-hydroxychromenylium-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid",C35H41O23+,829.69,9
Q23462761,44256802,Cyanidin 3-O-[2''-O-(xylosyl)-6''-O-(p-O-(glucosyl)-p-coumaroyl) glucoside] 5-O-glucoside,"[(3S,5S,6S)-6-[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-3,4-dihydroxy-5-[(2S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methyl (E)-3-[4-[(2S,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate",C47H55O27+,1051.93,12
Q23464998,44256800,Cyanidin 3-O-[2''-O-(2'''-O-(sinapoyl) xylosyl) glucoside] 5-O-glucoside,"[(2S,3R,5R)-2-[(2S,4S,5S)-2-[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate",C43H49O24+,949.841,9
Q23662598,13287582,1H-Azonine,1H-azonine,C8H9N,119.167,0
Q24300547,12160,4-Ethyltoluene,1-ethyl-4-methylbenzene,C9H12,120.195,0
Q24629081,13685945,Samarium(3+) triformate,samarium(3+);triformate,C3H3O6Sm,285.411,0
Q24629587,82873,Tantalum selenide,bis(selanylidene)tantalum,Se2Ta,338.89,0
Q24629795,159394,Cerium sulfide,cerium(3+);trisulfide,Ce2S3,376.412,0
Q24838256,13161390,Phenyl nitrate,phenyl nitrate,C6H5NO3,139.11,0
Q25105466,131801471,Nusinersen,Thy-MeOEt(-2)Ribf-sP-m5Cyt-MeOEt(-2)Ribf-sP-Ade-MeOEt(-2)Ribf-sP-m5Cyt-MeOEt(-2)Ribf-sP-Thy-MeOEt(-2)Ribf-sP-Thy-MeOEt(-2)Ribf-sP-Thy-MeOEt(-2)Ribf-sP-m5Cyt-MeOEt(-2)Ribf-sP-Ade-MeOEt(-2)Ribf-sP-Thy-MeOEt(-2)Ribf-sP-Ade-MeOEt(-2)Ribf-sP-Ade-MeOEt(-2)Ribf-sP-Thy-MeOEt(-2)Ribf-sP-Gua-MeOEt(-2)Ribf-sP-m5Cyt-MeOEt(-2)Ribf-sP-Thy-MeOEt(-2)Ribf-sP-Gua-MeOEt(-2)Ribf-sP-Gua-MeOEt(-2)Ribf,C234H340N61O128P17S17,7127.167,72
Q25323817,3030745,"Bicyclo[2.2.0]hexa-1(4),2,5-triene","bicyclo[2.2.0]hexa-1(4),2,5-triene",C6H4,76.098,0
Q25323820,20467,2H-Tetrazol-5-amine,2H-tetrazol-5-amine,CH3N5,85.07,0
Q25326616,65399,Triciribine,N/A,C13H16N6O4,320.309,4
Q25385993,20686,2-Methylpentanedinitrile,2-methylpentanedinitrile,C6H8N2,108.144,0
Q25474149,44150046,Ammonium antimony fluoride,azanium;tetrafluorostibanuide,F4H4NSb,215.793,0
Q25474224,517019,Sodium trifluoroacetate,"sodium;2,2,2-trifluoroacetate",C2F3NaO2,136.005,0
Q26998314,24898109,YPWAIQTZPOGSJV-KRWDZBQOSA-N,"(3S)-3-[4-[(4-methoxy-3-methylsulfonylphenyl)methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoic acid",C21H21NO7S,431.459,1
Q27095032,3659427,3-Benzoxepine,3-benzoxepine,C10H8O,144.173,0
Q27095539,119442,Gallopamil hydrochloride,"5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile;hydrochloride",C28H41ClN2O5,521.095,0
Q27104436,86289059,CID 86289059,"1,8-dihydroxy-3-methoxy-6-methyl-4a,9a-dihydroanthracene-9,10-dione",C16H14O5,286.283,0
Q27183266,6394763,$l^{2}-Germanylidenegermanium,$l^{2}-germanylidenegermanium,Ge2,145.26,0
Q27190003,5363741,gamma-Ionone,"(E)-4-(2,2-dimethyl-6-methylidenecyclohexyl)but-3-en-2-one",C13H20O,192.302,0
Q27236286,6399475,Ethyl (2Z)-2-cyano-2-hydroxyiminoacetate,ethyl (2Z)-2-cyano-2-hydroxyiminoacetate,C5H6N2O3,142.114,0
Q27430285,23676691,Sodium perborate tetrahydrate,sodium;oxidooxy(oxo)borane;tetrahydrate,BH8NaO7,153.857,0
Q27444428,2272,Azobenzene,diphenyldiazene,C12H10N2,182.226,0
Q27861942,8757,Aluminum acetate,aluminum;triacetate,C6H9AlO6,204.114,0
Q27887005,16051931,Bethanidine sulfate,"1-benzyl-2,3-dimethylguanidine;sulfuric acid",C20H32N6O4S,452.574,0
Q27887010,499,5-Oxoproline,H-DL-Pyr-OH,C5H7NO3,129.115,0
Q27887011,5354264,2-Ethyl-3-propylacrolein,(E)-2-ethylhex-2-enal,C8H14O,126.199,0
Q27887009,107321,Diethyl methylsuccinate,diethyl 2-methylbutanedioate,C9H16O4,188.223,0
Q27887050,6436722,"Phytofluene, all-trans-","(6E,10E,12E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene",C40H62,542.936,0
Q27887062,23690498,Monosodium succinate,sodium;4-hydroxy-4-oxobutanoate,C4H5NaO4,140.07,0
Q27887061,54961,Tampramine,"N,N-dimethyl-3-(6-phenylpyrido[2,3-b][1,4]benzodiazepin-11-yl)propan-1-amine",C23H24N4,356.473,0
Q27887071,1585026,"3,4-Dimethoxycinnamic acid, (Z)-","(Z)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid",C11H12O4,208.213,0
Q27887090,65185,Metaperiodic acid,periodic acid,HIO4,191.908,0
Q27887092,167560,Disodium glutamate,disodium;(2S)-2-aminopentanedioate,C5H8NaNO4? H2O,191.094,1
Q27887093,3083583,Retusine,N/A,C16H25NO5,311.378,6
Q27887134,64983,"7-Chloro-5-(1H-pyrrol-2-yl)-1,3-dihydro-1,4-benzodiazepin-2-one","7-chloro-5-(1H-pyrrol-2-yl)-1,3-dihydro-1,4-benzodiazepin-2-one",C13H10ClN3O,259.693,0
Q27887159,72733,Chimyl alcohol,"3-hexadecoxypropane-1,2-diol",C19H40O3,316.526,0
Q27887191,15981397,Vonoprazan,1-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N-methylmethanamine,C17H16FN3O2S,345.392,0
Q27887197,9546563,Glyceryl triclupanodonate,"2,3-bis[[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]oxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate",C69H104O6,1029.585,0
Q27887203,6112,Lipoic acid,5-[(3R)-dithiolan-3-yl]pentanoic acid,C8H14O2S2,206.318,1
Q27887214,107431,Xylenol orange tetrasodium,"tetrasodium;2-[[5-[3-[3-[[bis(carboxylatomethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-2,2-dioxo-1,2$l^{6}-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxylatomethyl)amino]acetate",C31H28N2Na4O13S,760.585,0
Q27887227,11215055,Slv-334,"(2R)-2-[[1-[[(3S)-1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]carbamoyl]cyclopentyl]methyl]-4-naphthalen-1-ylbutanoic acid",C33H36N2O6,556.659,2
Q27887228,7568320,Goitrin,"(5S)-5-ethenyl-1,3-oxazolidine-2-thione",C5H7NOS,129.177,1
Q27887253,11676971,Jnj-28312141 free base,5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide,C26H32N6O2,460.582,0
Q27887286,94279,Dimetacrine bitartrate,"(2R,3R)-2,3-dihydroxybutanedioic acid;3-(9,9-dimethylacridin-10-yl)-N,N-dimethylpropan-1-amine",C24H32N2O6,444.528,2
Q27887323,8942,Hexethal,"5-ethyl-5-hexyl-1,3-diazinane-2,4,6-trione",C12H20N2O3,240.303,0
Q27887351,108152,QTYMDECKVKSGSM-YMUMJAELSA-N,N/A,C29H25N3O5,495.535,3
Q27887362,219295,Tetrahydroanthraquinone,"1,2,3,4-tetrahydroanthracene-9,10-dione",C14H12O2,212.248,0
Q27887363,71361437,Solvent orange 17,"4',5',7-tribromo-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-2',7'-dicarboxylic acid",C22H9Br3O9,657.017,0
Q27887361,102445134,Solvent orange 18,"4',5'-dibromo-3',6'-dihydroxy-2',7'-diiodospiro[2-benzofuran-3,9'-xanthene]-1-one",C20H8Br2I2O5,741.896,0
Q27887365,59818168,"Tetrahydroisocohumulone, trans-","(4R,5R)-3,4-dihydroxy-5-(3-methylbutyl)-4-(4-methylpentanoyl)-2-(2-methylpropanoyl)cyclopent-2-en-1-one",C20H32O5,352.471,2
Q27887386,24309,2-Ethylhexyl mercaptoacetate,2-ethylhexyl 2-sulfanylacetate,C10H20O2S,204.328,0
Q27887395,5460005,"2-Deoxyribose, D-","(3S,4R)-3,4,5-trihydroxypentanal",C5H10O4,134.131,2
Q27887399,11054211,"9,9-Bis(methoxymethyl)fluorene","9,9-bis(methoxymethyl)fluorene",C17H18O2,254.329,0
Q27887414,22561456,"3,3',4,5'-Tetrachlorosalicylanilide","3,4-dichloro-N-(3,5-dichlorophenyl)-2-hydroxybenzamide",C13H7Cl4NO2,351.004,0
Q27887418,58473849,"Isocohumulone, trans-","(4R,5R)-3,4-dihydroxy-5-(3-methylbut-2-enyl)-4-(4-methylpent-3-enoyl)-2-(2-methylpropanoyl)cyclopent-2-en-1-one",C20H28O5,348.439,2
Q27887419,9860056,"N-Desmethylvenlafaxine, (S)-",1-[(1S)-1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohexan-1-ol,C16H25NO2,263.381,1
Q27887417,440864,"2-Hydroxybutyric acid, (+)-",(2S)-2-hydroxybutanoic acid,C4H8O3,104.105,1
Q27887420,55113,"1,6,7,8-Tetrachlorodibenzofuran","1,6,7,8-tetrachlorodibenzofuran",C12H4Cl4O,305.963,0
Q27887436,181526,Polymaltose,"(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal",C12H22O11,342.297,9
Q27887440,6430800,"Piperitone oxide, (1S,2S,4R)-","(1S,3R,6S)-6-methyl-3-propan-2-yl-7-oxabicyclo[4.1.0]heptan-2-one",C10H16O2,168.236,3
Q27887448,22062,Bis(2-ethylhexyl) dithiophosphate,bis(2-ethylhexoxy)-sulfanyl-sulfanylidene-$l^{5}-phosphane,C16H35O2PS2,354.548,0
Q27887610,7761,Diethyl malonate,diethyl propanedioate,C7H12O4,160.169,0
Q27887626,5284462,Stirofos,"[(Z)-2-chloro-1-(2,4,5-trichlorophenyl)ethenyl] dimethyl phosphate",C10H9Cl4O4P,365.952,0
Q27887647,25473,Rose bengal,"dipotassium;2,3,4,5-tetrachloro-6-(2,4,5,7-tetraiodo-3-oxido-6-oxoxanthen-9-yl)benzoate",C20H2Cl4I4K2O5,1049.845,0
Q27887678,11079,Naphazoline hydrochloride,"2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride",C14H15ClN2,246.738,0
Q27887689,23675786,Dicloxacillin sodium,"sodium;(2S,5R,6R)-6-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydrate",C19H18Cl2N3NaO6S,510.318,3
Q27887706,71177,Methixene hydrochloride,1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine;hydrate;hydrochloride,C20H26ClNOS,363.944,0
Q27887705,21139860,JXBABPBZPSKYSI-SKAWGCAZSA-N,"5-bromo-5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methoxy-1,3-diazinane-2,4-dione",C10H14BrFN2O6,357.132,3
Q27887716,14900,Glyceryl palmitate,"2,3-dihydroxypropyl hexadecanoate",C19H38O4,330.509,0
Q27887794,19527,Fenetylline,"1,3-dimethyl-7-[2-(1-phenylpropan-2-ylamino)ethyl]purine-2,6-dione",C18H23N5O2,341.415,0
Q27887839,111360,O-(2-Ethylhexyl) o-isobutyl dithiophosphate,2-ethylhexoxy-(2-methylpropoxy)-sulfanyl-sulfanylidene-$l^{5}-phosphane,C12H27O2PS2,298.44,0
Q27887848,24098,Diphenhydramine salicylate,"2-benzhydryloxy-N,N-dimethylethanamine;2-hydroxybenzoic acid",C24H27NO4,393.483,0
Q27887879,5282419,Bupivacaine hydrochloride,"1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrate;hydrochloride",C18H31ClN2O2,342.908,0
Q27887888,3246557,"2,3-Dibromosuccinic acid, (2R,3R)-","(2R,3R)-2,3-dibromobutanedioic acid",C4H4Br2O4,275.88,2
Q27887979,121596455,Diphenylpyraline-N-oxide hydrochloride,4-benzhydryloxy-1-methyl-1-oxidopiperidin-1-ium;hydrochloride,C19H24ClNO2,333.856,0
Q27887994,122173861,2-(4-(3-Ethynylanilino)-7-(2-methoxyethoxy)quinazolin-6-YL)oxyacetic acid,2-[4-(3-ethynylanilino)-6-(2-methoxyethoxy)quinazolin-7-yl]oxyacetic acid,C21H19N3O5,393.399,0
Q27888008,1002,5-Phenylhydantoin,"5-phenylimidazolidine-2,4-dione",C9H8N2O2,176.175,0
Q27888009,222089,Ethyl 1-hydroxycyclohexanecarboxylate,ethyl 1-hydroxycyclohexane-1-carboxylate,C9H16O3,172.224,0
Q27888014,93686,"Ethanone, 1-(1,6-dimethyl-4-(4-methyl-3-pentenyl)-3-cyclohexen-1-yl)-","1-[1,6-dimethyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanone",C16H26O,234.383,0
Q27888018,39041,"5-Chloro-1,3-cyclopentadiene","5-chlorocyclopenta-1,3-diene",C5H5Cl,100.545,0
Q27888021,166589,Pramipexole dihydrochloride,"(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;hydrate;dihydrochloride",C10H21Cl2N3OS,302.258,1
Q27888026,23663404,Beraprost sodium,"sodium;4-[(1R,2R,3aS,8bS)-2-hydroxy-1-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoate",C24H29NaO5,420.481,5
Q27888031,60772,Valacyclovir hydrochloride,2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate;hydrochloride,C13H21ClN6O4,360.799,1
Q27888042,5281055,Rosiglitazone maleate,"(Z)-but-2-enedioic acid;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione",C22H23N3O7S,473.5,0
Q27888041,11009533,1-Butyl-1-methylpyrrolidinium cation,1-butyl-1-methylpyrrolidin-1-ium,C9H20N+,142.266,0
Q27888046,54259,Amorolfine HCl,"(2R,6S)-2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine;hydrochloride",C21H36ClNO,353.975,2
Q27888052,60822,Atorvastatin calcium,"calcium;(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate",C66H68CaF2N4O10,1155.363,4
Q27888058,130881,Olmesartan medoxomil,"(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate",C29H30N6O6,558.595,0
Q27888062,22852138,WNHCMVMMLWRHHG-ZOWNYOTGSA-N,"2-benzamidoacetic acid;(4R)-4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxamide",C27H34N4O4,478.593,1
Q27888063,115366,Clopidogrel bisulfate,"methyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate;sulfuric acid",C16H18ClNO6S2,419.891,1
Q27888066,5282745,Palmitelaidic acid,(E)-hexadec-9-enoic acid,C16H30O2,254.414,0
Q27888072,11525740,Pazopanib hydrochloride,"5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide;hydrochloride",C21H24ClN7O2S,473.98,0
Q27888073,10251042,Iomazenil,"ethyl 7-iodo-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate",C15H14IN3O3,411.199,0
Q27888090,8053,Amyl nitrite,3-methylbutyl nitrite,C5H11N02,117.148,0
Q27888097,71376,Magnesium carbonate,magnesium;carbonate;hydrate,CH2MgO4,102.328,0
Q27888102,6437852,"N-Ethylretinamide, (13Z)-","(2Z,4E,6E,8E)-N-ethyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide",C22H33NO,327.512,0
Q27888118,70639,3-Methylxanthine,"3-methyl-7H-purine-2,6-dione",C6H6N4O2,166.14,0
Q27888119,71586926,Magnesium iodide octahydrate,magnesium;diiodide;octahydrate,H16I2MgO8,422.234,0
Q27888207,11519741,Aclidinium bromide,"[(3R)-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;bromide",C26H30BrNO4S2,564.553,1
Q27888204,38882,Pyridoxal phosphate,(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate;hydrate,C8H12NO7P,265.158,0
Q27888211,478125,"Usnic acid, (R)-","(9bR)-2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyldibenzofuran-1-one",C18H16O7,344.319,1
Q27888209,64737,Bupivacaine hydrochloride,"1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrochloride",C18H29ClN2O,324.893,0
Q27888276,19871785,"Methyl 2-(3,5,5-trimethyl-2-cyclohexenylidene)cyanoacetate","methyl (2E)-2-cyano-2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)acetate",C13H17NO2,219.284,0
Q27888277,10149052,"3-(Aminomethyl)-5-methyloctanoic acid, (3S,5R)-","(3S,5R)-3-(aminomethyl)-5-methyloctanoic acid",C10H21NO2,187.283,2
Q27888282,24994634,"2-Pyrimidinamine, 4-((3R)-3-amino-1-pyrrolidinyl)-6-(1-methylethyl)-",4-[(3R)-3-aminopyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine,C11H19N5,221.308,1
Q27888290,27872,FD&C Red 3,"disodium;2-(2,4,5,7-tetraiodo-3-oxido-6-oxoxanthen-9-yl)benzoate",C20H6I4Na2O5,879.86,0
Q27888303,25235800,PIDNRTWDGDJKSQ-UQKRIMTDSA-N,3-(6-ethylsulfonylpyridin-3-yl)oxy-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide;methanesulfonic acid,C22H28N4O9S2,556.605,1
Q27888306,129796,Rac-Modipafant,"ethyl 4-(2-chlorophenyl)-6-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate",C34H29ClN6O3,605.095,0
Q27888305,44370589,"Modipafant, (S)-","ethyl (4S)-4-(2-chlorophenyl)-6-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate",C34H29ClN6O3,605.095,1
Q27888312,26329,Octacaine,3-(diethylamino)-N-phenylbutanamide,C14H22N2O,234.343,0
Q27888324,440917,"Limonene, (+)-",(4R)-1-methyl-4-prop-1-en-2-ylcyclohexene,C10H16,136.238,1
Q27888336,6604121,Itriglumide,"(3R)-5-[2-(8-azaspiro[4.5]decane-8-carbonyl)-4,6-dimethylanilino]-3-naphthalen-1-yl-5-oxopentanoic acid",C33H38N2O4,526.677,1
Q27888346,5464344,Imidaprilat,(4S)-3-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid,C18H23N3O6,377.397,3
Q27888350,3086012,Tauroselcholic acid,"2-[[2-[(2S)-2-[(3R,5S,7R,8R,9S,10S,12S,13S,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]selanylacetyl]amino]ethanesulfonic acid",C26H45NO7SSe,594.677,11
Q27888363,16130938,Iturelix,Ac-D-2Nal-D-Phe(4-Cl)-D-3Pal-Ser-Lys(nicotinoyl)-D-Lys(nicotinoyl)-Leu-Lys(iPr)-Pro-D-Ala-NH2,C82H108ClN17O14,1591.321,10
Q27888379,91663255,Iron sucrose,"disodium;(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;iron(3+);oxygen(2-);hydroxide;trihydrate",C12H29Fe5Na2O23,866.546,9
Q27888393,9821849,Abiraterone acetate,"[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate",C26H33NO2,391.555,6
Q27888402,71346,Binospirone mesylate,"8-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)ethyl]-8-azaspiro[4.5]decane-7,9-dione;methanesulfonic acid",C21H30N2O7S,454.538,0
Q27888400,178144,Amindocate,"2-(dimethylamino)ethyl 1-[2-(dimethylamino)ethyl]-2,3-dimethylindole-5-carboxylate",C19H29N3O2,331.46,0
Q27888415,166549,Anilopam hydrochloride,"4-[2-(7-methoxy-4-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]aniline;dihydrochloride",C20H28Cl2N2O,383.357,0
Q27888424,23635314,KX-01,N-benzyl-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-yl]acetamide,C26H29N3O3,431.536,0
Q27888442,11673085,Lorcaserin hydrochloride,"(5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride",C11H15Cl2N,232.148,1
Q27888443,16088021,Alogliptin benzoate,"2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile;benzoic acid",C25H27N5O4,461.522,1
Q27888479,8732,Amprolium,5-[(2-methylpyridin-1-ium-1-yl)methyl]-2-propylpyrimidin-4-amine;chloride;hydrochloride,C14H20Cl2N4,315.242,0
Q27888486,71587201,Magnesium gluconate,"magnesium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;dihydrate",C12H26MgO16,450.629,8
Q27888490,50224,Buserelin acetate,H-Pyr-His-Trp-Ser-Tyr-D-Ser(tBu)-Leu-Arg-Pro-NHEt.CH3CO2H,C62H90N16O15,1299.499,9
Q27888681,6093269,Calcium glubionate,"calcium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoate;hydrate",C18H34CaO20,610.528,13
Q27888708,71586929,Aloxiprin,dialuminum;2-acetyloxybenzoic acid;oxygen(2-),C9H8Al2O7,282.119,0
Q27888734,65144,"1,2-Dipalmitoyl-phosphatidyl-glycerole","[3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate",C38H75O10P,722.982,0
Q27888779,21845,1-Nitrosopiperazine,1-nitrosopiperazine,C4H9N3O,115.136,0
Q27888909,74080,"2,4-Dicyano-1-butene",2-methylidenepentanedinitrile,C6H6N2,106.128,0
Q27888927,9352,"2,7-Diacetamidofluorene",N-(7-acetamido-9H-fluoren-2-yl)acetamide,C17H16N2O2,280.327,0
Q27889334,25815,Amiphos,N-(2-dimethoxyphosphinothioylsulfanylethyl)acetamide,C6H14NO3PS2,243.276,0
Q27889340,5283496,1-Palmitoyl-2-oleoyl-SN-glycero-3-phosphoethanolamine,[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] (Z)-octadec-9-enoate,C39H76NO8P,718.01,1
Q27889390,9688,"2-Phenyl-1,4-benzoquinone","2-phenylcyclohexa-2,5-diene-1,4-dione",C12H8O2,184.194,0
Q27889396,108077,N-Nitrosoatrazine,"N-[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-N-ethylnitrous amide",C8H13ClN6O,244.683,0
Q27889401,17231,4-(Octyloxy)benzoic acid,4-octoxybenzoic acid,C15H22O3,250.338,0
Q27889410,10888022,Frontalin,"(1S,5R)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]octane",C8H14O2,142.198,2
Q27889425,44513225,Capmatinib hydrochloride anhydrous,"2-fluoro-N-methyl-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide;dihydrochloride",C23H19Cl2FN6O,485.344,0
Q27889436,17777,2-Isopropyl-6-methyl-4-pyrimidone,6-methyl-2-propan-2-yl-1H-pyrimidin-4-one,C8H12N2O,152.197,0
Q27889448,16462,Fenteracol,"2-(2,4,5-trichlorophenoxy)ethanol",C8H7Cl3O2,241.492,0
Q27889458,62119,Bromoxynil heptanoate,"(2,6-dibromo-4-cyanophenyl) heptanoate",C14H15Br2NO2,389.087,0
Q27889465,1738124,Methyl dihydrojasmonate,"methyl 2-[(1R,2R)-3-oxo-2-pentylcyclopentyl]acetate",C13H22O3,226.316,2
Q27889489,87296,2-Chloro-N-(2-cyanoethyl)acetamide,2-chloro-N-(2-cyanoethyl)acetamide,C5H7ClN2O,146.574,0
Q27889495,46335,N-Amyl-N-nitrosourethane,ethyl N-nitroso-N-pentylcarbamate,C8H16N2O3,188.227,0
Q27889497,114988,"2-Amino-1-methylimidazo(4,5-F)quinoline","1-methylimidazo[4,5-f]quinolin-2-amine",C11H10N4,198.229,0
Q27889659,151575,N-Benzyl-N-benzoylaminomethylnitrosamine,N-[[benzyl(nitroso)amino]methyl]benzamide,C15H15N3O2,269.304,0
Q27889896,19370005,JKHBSEMWNFTGPM-UHFFFAOYSA-N,1-[1-(1-tetradecoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol,C23H48O4,388.633,0
Q27889924,123698,Eperisone hydrochloride,1-(4-ethylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one;hydrochloride,C17H26ClNO,295.851,0
Q27889930,9890879,Imiglitazar,"(4E)-4-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-4-phenylbutanoic acid",C28H26N2O5,470.525,0
Q27889955,8338,"2-Amino-1,5-naphthalenedisulfonic acid","2-aminonaphthalene-1,5-disulfonic acid",C10H9NO6S2,303.303,0
Q27889971,853433,Isoeugenol,2-methoxy-4-[(E)-prop-1-enyl]phenol,C10H12O2,164.204,0
Q27889969,16724,"Carvone, (+)-",(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one,C10H14O,150.221,1
Q27890207,5352899,3-Butylidenephthalide,(3E)-3-butylidene-2-benzofuran-1-one,C12H12O2,188.226,0
Q27890210,7192,"Amino-6-ethoxybenzothiazole, 2-","6-ethoxy-1,3-benzothiazol-2-amine",C9H10N2OS,194.252,0
Q27890211,11149,O-Aminoacetanilide,N-(2-aminophenyl)acetamide,C8H10N2O,150.181,0
Q27890208,11292,Pararosaniline hydrochloride,"4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride",C19H18ClN3,323.824,0
Q27890209,18835,N-Ethyl-N-tert-butylnitrosamine,N-tert-butyl-N-ethylnitrous amide,C6H14N2O,130.191,0
Q27890213,7141,4-(2-Naphthylamino)phenol,4-(naphthalen-2-ylamino)phenol,C16H13NO,235.286,0
Q27890222,5282322,Leucomycin A1,"[(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate",C40H67NO14,785.969,16
Q27890220,73952216,Ferrous cation FE-59,iron-59(2+),Fe+2,58.935,0
Q27890221,88155541,"1,1'-Hexamethylenebis(5-hexylbiguanide) dihydrochloride",1-[N'-[6-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]hexyl]carbamimidoyl]-2-hexylguanidine;dihydrochloride,C22H50Cl2N10,525.612,0
Q27890227,75816,Lauryl phosphate,dodecyl dihydrogen phosphate,C12H27O4P,266.318,0
Q27890225,443404,Metazocine,N/A,C15H21NO,231.339,3
Q27890368,11151899,Jnj-18038683 free base,"1-benzyl-3-(4-chlorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine",C20H20ClN3,337.851,0
Q27890379,440995,Lactose,Gal(b1-4)Glc,C12H22O11,342.297,9
Q27890387,643323,(S)-2-Chloro-1-phenylethanol,(1S)-2-chloro-1-phenylethanol,C8H9ClO,156.609,1
Q27890390,5284645,alpha-Zearalenol,"(2E,7R,11S)-7,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,15,17-tetraen-13-one",C18H24O5,320.385,2
Q27890431,11295,Malachite green cation,"[4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium",C23H25N2+,329.467,0
Q27890447,6538431,"beta-Ocimene epoxide, (E)-","2,2-dimethyl-3-[(2E)-3-methylpenta-2,4-dienyl]oxirane",C10H16O,152.237,0
Q27890459,88709809,QMIHLTWUCXXBQQ-UHFFFAOYSA-N,"N',3-dihydroxy-4-naphthalen-1-yloxybutanimidamide;hydrochloride",C14H17ClN2O3,296.751,0
Q27890466,91588,Salsolinol,"(1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol",C10H13NO2,179.219,1
Q27890502,3083445,Idraparinux,"(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4,5-dimethoxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid",C38H64O49S7,1529.301,25
Q27890511,16211143,Azane;hydrogen sulfate;iron(2+);hexahydrate,azane;hydrogen sulfate;iron(2+);hexahydrate,FeH20N2O14S2,392.125,0
Q27891015,6439217,NC-758,"(E)-5-(diethylamino)-1-[4-[(E)-5-(diethylamino)-4,4-dimethyl-3-oxopent-1-enyl]phenyl]-4,4-dimethylpent-1-en-3-one;dihydrobromide",C28H46Br2N2O2,602.496,0
Q27891064,66270,Dioxadrol,"2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine",C20H23NO2,309.409,0
Q27891140,122173981,"Fosmetpantotenate, (4R)-","methyl (2S)-2-[[[(3R)-3-hydroxy-4-[(3-methoxy-3-oxopropyl)amino]-2,2-dimethyl-4-oxobutoxy]-phenoxyphosphoryl]amino]propanoate",C20H31N2O9P,474.447,3
Q27891163,50897,Fluazifop-butyl,butyl 2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate,C19H20F3NO4,383.367,0
Q27891164,16211144,Ammonium iron disulfate dodecahydrate,azane;hydrogen sulfate;iron(3+);sulfate;dodecahydrate,FeH28NO20S2,482.176,0
Q27891169,6917976,Ginsenoside C,"(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol",C53H90O22,1079.281,29
Q27891174,53380437,Itacitinib,"2-[1-[1-[3-fluoro-2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile",C26H23F4N9O,553.526,0
Q27891183,5282281,Glyceryl arachidonate,"2,3-dihydroxypropyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate",C23H38O4,378.553,0
Q27891191,17343,Methoxytetrachlorophenol,"2,3,4,5-tetrachloro-6-methoxyphenol",C7H4Cl4O2,261.907,0
Q27891219,8432,1-Phenylethyl propanoate,1-phenylethyl propanoate,C11H14O2,178.231,0
Q27891246,10177526,Sergliflozin,"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methyl]phenoxy]oxane-3,4,5-triol",C20H24O7,376.405,5
Q27891290,197917,Phenitrone,3-(azepan-1-yl)-1-(3-nitrophenyl)propan-1-one;hydrochloride,C15H21ClN2O3,312.794,0
Q27891324,5493449,"3',4',5,7-Tetrahydroxy-8-methoxyisoflavone","3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-methoxychromen-4-one",C16H12O7,316.265,0
Q27891367,6440900,"Ascladiol, (E)-",(5E)-5-(2-hydroxyethylidene)-4-(hydroxymethyl)furan-2-one,C7H8O4,156.137,0
Q27891411,6994425,"4-Phenyl-2-butanol, (2S)-",(2S)-4-phenylbutan-2-ol,C10H14O,150.221,1
Q27891419,188291,"3,3',5,5'-Tetra-tert-butylstilbenequinone","2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one",C30H42O2,434.664,0
Q27891425,150600,"3'-Hydroxy-7,8-dimethoxyflavone","2-(3-hydroxyphenyl)-7,8-dimethoxychromen-4-one",C17H14O5,298.294,0
Q27891430,3036605,"3,3'-Diallyldiethylstilbestrol",4-[(E)-4-(4-hydroxy-3-prop-2-enylphenyl)hex-3-en-3-yl]-2-prop-2-enylphenol,C24H28O2,348.486,0
Q27891428,6443439,3'-Acetoxyisosafrole,"[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enyl] acetate",C12H12O4,220.224,0
Q27891429,100187,6-Nitrosaccharin,"6-nitro-1,1-dioxo-1,2-benzothiazol-3-one",C7H4N2O5S,228.178,0
Q27891434,96215,Imidazoleacetic acid,2-(1H-imidazol-5-yl)acetic acid,C5H6N2O2,126.115,0
Q27891483,5709318,"2',3,4-Trihydroxychalcone","(E)-3-(3,4-dihydroxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one",C15H12O4,256.257,0
Q27891497,36028,Fenamiphos sulfone,N-[ethoxy-(3-methyl-4-methylsulfonylphenoxy)phosphoryl]propan-2-amine,C13H22NO5PS,335.355,0
Q27891507,11955398,ZINC carbonate,pentazinc;dicarbonate;hexahydroxide,C2H6O12Zn5,548.958,0
Q27891511,23663671,Lithium caprate,lithium;decanoate,C10H19LiO2,178.2,0
Q27891515,330573,"Carveol, cis-(-)-","(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol",C10H16O,152.237,2
Q27891518,5282363,"4,4'-Stilbenediol, (E)-",4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol,C14H12O2,212.248,0
Q27891519,11958,"2-Methoxy-5-methyl-2,5-cyclohexadiene-1,4-dione","2-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione",C8H8O3,152.149,0
Q27891526,77160,"9,10-Dibenzylanthracene","9,10-dibenzylanthracene",C28H22,358.484,0
Q27891525,17258,Octyl acrylate,octyl prop-2-enoate,C11H20O2,184.279,0
Q27891531,16322,3-Chlorobiphenyl,1-chloro-3-phenylbenzene,C12H9Cl,188.654,0
Q27891533,105085,"3,4-Pyridinediol",3-hydroxy-1H-pyridin-4-one,C5H5NO2,111.1,0
Q27891539,13347,Bis(S-methylisothiouronium) sulfate,methyl carbamimidothioate;sulfuric acid,C4H14N4O4S3,278.36,0
Q27891536,522251,Carbanolate,"(2-chloro-4,5-dimethylphenyl) N-methylcarbamate",C10H12ClNO2,213.661,0
Q27891544,203838,Mutaaspergillic acid,1-hydroxy-6-(2-hydroxypropan-2-yl)-3-(2-methylpropyl)pyrazin-2-one,C11H18N2O3,226.276,0
Q27891553,66759,"N,N'-DI-O-Tolylethylenediamine","N,N'-bis(2-methylphenyl)ethane-1,2-diamine",C16H20N2,240.35,0
Q27891558,11285001,WJVMGQMXUBAAPL-UHFFFAOYSA-N,"1-[3-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]phenyl]-4-oxo-1H-indeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea;dihydrochloride",C29H37Cl2N7O4,618.56,0
Q27891566,16070,"N,N-Bis(2-aminoethyl)ethanolamine",2-[bis(2-aminoethyl)amino]ethanol,C6H17N3O,147.222,0
Q27891634,255699,"3,3-Difluoro-17-methyl-5alpha-androstan-17beta-OL","(5S,8R,9S,10S,13S,14S,17S)-3,3-difluoro-10,13,17-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol",C20H32F2O,326.472,7
Q27891699,5284599,"Olopatadine, (E)-",2-[(11E)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid,C21H23NO3,337.419,0
Q27891706,4515,NO-711,"1-[2-(benzhydrylideneamino)oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid",C21H22N2O3,350.418,0
Q27891716,12759,"2,3,5-Trimethylpyridine","2,3,5-trimethylpyridine",C8H11N,121.183,0
Q27891746,8847,2-Ethylhexyl epoxystearate,2-ethylhexyl 8-(3-octyloxiran-2-yl)octanoate,C26H50O3,410.683,0
Q27891744,5281951,"4,4'-Diisothiocyanato-2,2'-stilbenedisulfonic acid, (E)-",5-isothiocyanato-2-[(E)-2-(4-isothiocyanato-2-sulfophenyl)ethenyl]benzenesulfonic acid,C16H10N2O6S4,454.504,0
Q27891758,92100,3-Fluorotyrosine,H-DL-Tyr(3-F)-OH,C9H10FNO3,199.181,0
Q27891759,118555,"3,3,4,4-Tetrafluoro-4-iodo-1-butene","3,3,4,4-tetrafluoro-4-iodobut-1-ene",C4H3F4I,253.966,0
Q27891762,76426,Bis(2-chlorobenzoyl) peroxide,(2-chlorobenzoyl) 2-chlorobenzenecarboperoxoate,C14H8Cl2O4,311.114,0
Q27891763,5352249,"2-Pentadecene, E-",(E)-pentadec-2-ene,C15H30,210.405,0
Q27891760,9926054,"1,2-Ethanediamine, N-(1,8-dimethylimidazo(1,2-a)quinoxalin-4-yl)-, monohydrochloride","N'-(1,8-dimethylimidazo[1,2-a]quinoxalin-4-yl)ethane-1,2-diamine;hydrochloride",C14H18ClN5,291.783,0
Q27891777,5280590,Methyl elaidate,methyl (E)-octadec-9-enoate,C19H36O2,296.495,0
Q27891783,184639,Tizanidine lactate,"5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine;2-hydroxypropanoic acid",C12H14ClN5O3S,343.786,0
Q27891786,90525,"Pentafluoro(1,2,2-trifluoro-2-((trifluorovinyl)oxy)-1-(trifluoromethyl)ethoxy)benzene","1,2,3,4,5-pentafluoro-6-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxybenzene",C11F14O2,430.097,0
Q27891790,116668,"1H-Imidazolium, 1-ethyl-2-heptadecyl-4,5-dihydro-1-(2-((1-oxooctadecyl)amino)ethyl)-, ethyl sulfate","N-[2-(1-ethyl-2-heptadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]octadecanamide;ethyl sulfate",C44H89N3O5S,772.272,0
Q27891794,92168504,"1,3-Butanediamine, (R)-","(3R)-butane-1,3-diamine",C4H12N2,88.154,1
Q27891793,184479,Nafronyl citrate,"2-(diethylamino)ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate;2-hydroxypropane-1,2,3-tricarboxylic acid",C30H41NO10,575.655,0
Q27891802,25125529,"1H-Pyrazole-1-propanoic acid, 4-((2,3-dihydro-7-hydroxy-6-methyl-1H-inden-4-yl)methyl)-3,5-dimethyl-","3-[4-[(7-hydroxy-6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]-3,5-dimethylpyrazol-1-yl]propanoic acid",C19H24N2O3,328.412,0
Q27891805,5460034,Neuraminic acid,"(4S,5R,6R,7S,8R)-5-amino-4,6,7,8,9-pentahydroxy-2-oxononanoic acid",C9H17NO8,267.234,5
Q27891811,23663426,Sodium propionate,sodium;propanoate;hydrate,C3H7NaO3,114.076,0
Q27891869,12846356,Cupric perchlorate hexahydrate,copper;diperchlorate;hexahydrate,Cl2CuH12O14,370.528,0
Q27892611,24768876,Gsk-189254 hydrochloride,"6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyridine-3-carboxamide;hydrochloride",C21H26ClN3O2,387.908,0
Q27892746,71252718,Cpp-115,"(1S,3S)-3-amino-4-(difluoromethylidene)cyclopentane-1-carboxylic acid;hydrochloride",C7H10ClF2NO2,213.609,2
Q27892813,16683008,Stibophen,"pentasodium;2-(2-oxido-3,5-disulfonatophenoxy)-1,3,2-benzodioxastibole-4,6-disulfonate;heptahydrate",C12H18Na5O23S4Sb,895.202,0
Q27892871,71774,Suplatast,[3-[4-(3-ethoxy-2-hydroxypropoxy)anilino]-3-oxopropyl]-dimethylsulfanium,C16H26NO4S+,328.447,0
Q27892930,136809,Benzophenone imine,diphenylmethanimine,C13H11N,181.238,0
Q27892933,2574,Carcinine,3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide,C8H14N4O,182.227,0
Q27892968,11625778,CKZHFOKQZRZCPF-ROUUACIJSA-N,"methyl (6S,7S)-7-(hydroxycarbamoyl)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate",C22H27N3O5,413.474,2
Q27892990,9930788,"Benzenamine, 2-methyl-4-nitro-5-(4-(phenylmethyl)-1-piperazinyl)-, dihydrochloride",5-(4-benzylpiperazin-1-yl)-2-methyl-4-nitroaniline;dihydrochloride,C18H24Cl2N4O2,399.316,0
Q27892992,9821979,"1,2-Propanediol, 3,3'-dithiobis-, tetranitrate","[1-(2,3-dinitrooxypropyldisulfanyl)-3-nitrooxypropan-2-yl] nitrate",C6H10N4O12S2,394.282,0
Q27893043,10324083,(E)-N-(1-Acetylindolin-6-yl)-3-(3-cyanophenyl)-N-(1-(2-cyclopentylethyl)piperidin-4-yl)acrylamide,"(E)-N-(1-acetyl-2,3-dihydroindol-6-yl)-3-(3-cyanophenyl)-N-[1-(2-cyclopentylethyl)piperidin-4-yl]prop-2-enamide",C32H38N4O2,510.682,0
Q27893050,46863664,"1-Piperazinecarboxamide, 4-((3-(4-chlorophenoxy)phenyl)methyl)-N-3-pyridinyl-",4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-pyridin-3-ylpiperazine-1-carboxamide,C23H23ClN4O2,422.913,0
Q27893049,9872203,"2-Methyl-3-(3,5-diiodo-4-carboxymethoxybenzyl)benzofuran","2-[2,6-diiodo-4-[(2-methyl-1-benzofuran-3-yl)methyl]phenoxy]acetic acid",C18H14I2O4,548.115,0
Q27893067,18988,Trimethylnitrosourea,"1,1,3-trimethyl-3-nitrosourea",C4H9N3O2,131.135,0
Q27893071,11691484,ADP-597,propan-2-yl 4-[5-methoxy-6-[(2-methyl-6-methylsulfonylpyridin-3-yl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate,C21H29N5O6S,479.552,0
Q27893079,21119846,"S-(1,2,2-Trichlorovinyl)glutathione",H-gGlu-Cys(Unk)-Gly-OH,C12H16Cl3N3O6S,436.685,2
Q27893076,7395,4-Chlorophenyl methyl sulfone,1-chloro-4-methylsulfonylbenzene,C7H7ClO2S,190.641,0
Q27893085,1548928,N-Methylpelletierine,1-[(2R)-1-methylpiperidin-2-yl]propan-2-one,C9H17NO,155.241,1
Q27893089,21124624,Oxaflozane hydrochloride,4-propan-2-yl-2-[3-(trifluoromethyl)phenyl]morpholine;hydrochloride,C14H19ClF3NO,309.757,0
Q27893103,3034881,Pelletierine,1-[(2R)-piperidin-2-yl]propan-2-one,C8H15NO,141.214,1
Q27893128,5311244,Clinprost acid,"5-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,3S)-3-hydroxyoct-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoic acid",C21H34O4,350.499,5
Q27893135,2724948,"Chiraphos, (R,R)-","[(2R,3R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane",C28H28P2,426.48,2
Q27893141,16129628,Ramoplanin A2,N/A,C119H154ClN21O40,2554.098,30
Q27893167,7287,"1,3-Dibromo-2-propanol","1,3-dibromopropan-2-ol",C3H6Br2O,217.888,0
Q27893178,23673612,Potassium isostearate,potassium;16-methylheptadecanoate,C18H35KO2,322.574,0
Q27893179,108931,Tripotassium etidronate,tripotassium;hydroxy-(1-hydroxy-1-phosphonatoethyl)phosphinate,C2H5K3O7P2,320.297,0
Q27893176,22833421,ZSXFRUUGTUCHNM-UHFFFAOYSA-K,azanium;2-[carboxylato-[3-(dicarboxylatoamino)propyl]amino]acetate;iron(3+),C8H12FeN3O8,334.042,0
Q27893177,170931,6-(2-Hydroxybenzyl)adenosine,"(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(2-hydroxyphenyl)methylamino]purin-9-yl]oxolane-3,4-diol",C17H19N5O5,373.369,4
Q27893182,86364,"3-Hydroxy-2,4-dimethylthiophene","2,4-dimethylthiophen-3-ol",C6H8OS,128.189,0
Q27893183,44153776,Monoammonium aspartate,(2S)-2-aminobutanedioic acid;azane,C4H10N2O4,150.134,1
Q27893180,1910825,2-(4-(Dibutylamino)-2-hydroxybenzoyl)benzoic acid,2-[4-(dibutylamino)-2-hydroxybenzoyl]benzoic acid,C22H27NO4,369.461,0
Q27893224,86254,"1,2,4-Trichloro-2-methylpentan-3-one","1,2,4-trichloro-2-methylpentan-3-one",C6H9Cl3O,203.487,0
Q27893238,10295883,3-[(4-Tert-butylphenyl)methyl]-1-[(3-fluoro-4-methanesulfonamidophenyl)methyl]thiourea,1-[(4-tert-butylphenyl)methyl]-3-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]thiourea,C20H26FN3O2S2,423.565,0
Q27893272,146573,4-Nitro-8-fluoranthenol,4-nitrofluoranthen-8-ol,C16H9NO3,263.252,0
Q27893293,76192,"Methyl 3,5-dichlorobenzoate","methyl 3,5-dichlorobenzoate",C8H6Cl2O2,205.034,0
Q27893297,146577,8-Demethyl-8-hydroxymethyl-meiqx N2-sulfamic acid,"[8-(hydroxymethyl)-3-methylimidazo[4,5-f]quinoxalin-2-yl]sulfamic acid",C11H11N5O4S,309.3,0
Q27893331,25099474,N-(5-Fluoro-3-methyl-1H-indol-1-YL)-4-methyl-2-(pyridin-2-YL)pyrimidine-5-carboxamide,N-(5-fluoro-3-methylindol-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide,C20H16FN5O,361.38,0
Q27893347,146589,"N3-(4-Fluoro-1-nitro-9-acridinyl)-N1,N1-dimethyl-1,3-propanediamine","N-(4-fluoro-1-nitroacridin-9-yl)-N',N'-dimethylpropane-1,3-diamine",C18H19FN4O2,342.374,0
Q27893374,5145950,BKVIWGRFRKLFIO-UHFFFAOYSA-N,"N-[2-[4-[3-[4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-oxopropyl]piperidin-1-yl]ethyl]methanesulfonamide",C26H36ClN3O6S,554.099,0
Q27893386,150569,N-(2-(Dimethylamino)ethyl)-9-oxo-9H-xanthene-4-carboxamide,N-[2-(dimethylamino)ethyl]-9-oxoxanthene-4-carboxamide,C18H18N2O3,310.353,0
Q27893385,154065,N-Acetoxy-N-acetyl-O-toluidine,(N-acetyl-2-methylanilino) acetate,C11H13NO3,207.229,0
Q27893409,40989,4-Bromophenyl chloromethyl sulfone,1-bromo-4-(chloromethylsulfonyl)benzene,C7H6BrClO2S,269.537,0
Q27893417,154176,"N-(2,3,4-Trichlorophenyl)succinimide","1-(2,3,4-trichlorophenyl)pyrrolidine-2,5-dione",C10H6Cl3NO2,278.513,0
Q27893429,22833437,Etidronate pentasodium,"pentasodium;1,1-diphosphonatoethanolate",C2H3Na5O7P2,315.935,0
Q27893434,66760,5-Chlorobenzotriazole,5-chloro-2H-benzotriazole,C6H4ClN3,153.569,0
Q27893444,70619,Monononyl sulfate,nonyl hydrogen sulfate,C9H20O4S,224.315,0
Q27893460,25021165,Jzl-184,"(4-nitrophenyl) 4-[bis(1,3-benzodioxol-5-yl)-hydroxymethyl]piperidine-1-carboxylate",C27H24N2O9,520.494,0
Q27893473,3613503,N-Isobutyl decanamide,N-(2-methylpropyl)decanamide,C14H29NO,227.392,0
Q27893500,44237088,Monopotassium etidronate,"potassium;1,1-diphosphonatoethanol",C2H4KO7P2-3,241.093,0
Q27893506,22833476,Thallium selenite,thallium(1+);selenite,O3SeTl2,535.728,0
Q27893534,22833455,Etidronate pentapotassium,"pentapotassium;1,1-diphosphonatoethanolate",C2H3K5O7P2,396.478,0
Q27893536,88790,Dipotassium etidronate,dipotassium;hydroxy-[1-hydroxy-1-[hydroxy(oxido)phosphoryl]ethyl]phosphinate,C2H6K2O7P2,282.207,0
Q27893566,61115,"1,2-Dichloro-1,1,3,3,3-pentafluoropropane","1,2-dichloro-1,1,3,3,3-pentafluoropropane",C3HCl2F5,202.933,0
Q27893567,61627,"1,1-Dichloro-1,2,2,3,3-pentafluoropropane","1,1-dichloro-1,2,2,3,3-pentafluoropropane",C3HCl2F5,202.933,0
Q27893568,94647,"2,3-Dichloro-5-(trichloromethyl)pyridine","2,3-dichloro-5-(trichloromethyl)pyridine",C6H2Cl5N,265.339,0
Q27893579,20342,Mono(2-ethylhexyl) adipate,6-(2-ethylhexoxy)-6-oxohexanoic acid,C14H26O4,258.358,0
Q27893583,61053,N-(4-Ethoxyphenyl)-3-oxobutanamide,N-(4-ethoxyphenyl)-3-oxobutanamide,C12H15NO3,221.256,0
Q27893594,83638,Tetrabromophthalic acid,"3,4,5,6-tetrabromophthalic acid",C8H2Br4O4,481.716,0
Q27893596,163100,Ethylenediamine tetrabromophthalate,"ethane-1,2-diamine;3,4,5,6-tetrabromophthalic acid",C18H12Br8N2O8,1023.532,0
Q27893600,162220,(2-Hydroxyethyl)ammonium dihydrogen orthoborate,2-aminoethanol;boric acid,C2H10BNO4,122.915,0
Q27893605,62318,"1,3-Dichloro-1,1,2,3,3-pentafluoropropane","1,3-dichloro-1,1,2,3,3-pentafluoropropane",C3HCl2F5,202.933,0
Q27893622,2762515,"2-Amino-4,6-dinitrobenzyl alcohol","(2-amino-4,6-dinitrophenyl)methanol",C7H7N3O5,213.149,0
Q27893627,2762522,"4-Amino-2,6-dinitrobenzyl alcohol","(4-amino-2,6-dinitrophenyl)methanol",C7H7N3O5,213.149,0
Q27893645,8558,Bis(1-methylheptyl) phthalate,"dioctan-2-yl benzene-1,2-dicarboxylate",C24H38O4,390.564,0
Q27893674,16682760,Butyltin trilaurate,[butyl-di(dodecanoyloxy)stannyl] dodecanoate,C40H78O6Sn,773.768,0
Q27893746,6400657,Nocardicin A,(2R)-2-amino-4-[4-[(Z)-C-[[(3S)-1-[(R)-carboxy-(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl]carbamoyl]-N-hydroxycarbonimidoyl]phenoxy]butanoic acid,C23H24N4O9,500.464,3
Q27893758,5488163,"3-(1-Aziridinyl)-6-methyl-1H-indolo(3,2-C)quinoline-1,4(11H)-dione","3-(aziridin-1-yl)-6-methyl-11H-indolo[3,2-c]quinoline-1,4-dione",C18H13N3O2,303.321,0
Q27893759,124239,Benzo(L)cyclopenta(CD)pyrene,N/A,C22H12,276.338,0
Q27893756,5488161,"8,9,10,11-Tetrahydro-3-methoxy-6-methyl-1H-indolo(3,2-C)quinoline-1,4(7H)-dione","3-methoxy-6-methyl-8,9,10,11-tetrahydro-7H-indolo[3,2-c]quinoline-1,4-dione",C17H16N2O3,296.326,0
Q27893757,5488162,"3-Methoxy-6-methyl-1H-indolo(3,2-C)quinoline-1,4(11H)-dione","3-methoxy-6-methyl-11H-indolo[3,2-c]quinoline-1,4-dione",C17H12N2O3,292.294,0
Q27893760,154187,"Glycidyl tosylate, (R)-",[(2R)-oxiran-2-yl]methyl 4-methylbenzenesulfonate,C10H12O4S,228.262,1
Q27893764,83545,Methyl sarcosinate,methyl 2-(methylamino)acetate,C4H9NO2,103.121,0
Q27893765,95568,2-Ethylhexyl formate,2-ethylhexyl formate,C9H18O2,158.241,0
Q27893770,5488165,"2-(1-Aziridinyl)-6-methyl-1H-indolo(3,2-C)quinoline-1,4(11H)-dione","2-(aziridin-1-yl)-6-methyl-11H-indolo[3,2-c]quinoline-1,4-dione",C18H13N3O2,303.321,0
Q27893768,107334,Cyclamen alcohol,2-methyl-3-(4-propan-2-ylphenyl)propan-1-ol,C13H20O,192.302,0
Q27893769,5488164,"2-Methoxy-6-methyl-1H-indolo(3,2-C)quinoline-1,4(11H)-dione","2-methoxy-6-methyl-11H-indolo[3,2-c]quinoline-1,4-dione",C17H12N2O3,292.294,0
Q27893774,6452104,"3,4,5-Trichloro-6-(2,3,4,5-tetrachloro-6-hydroxyphenoxy)-O-benzoquinone","3,4,5-trichloro-6-(2,3,4,5-tetrachloro-6-hydroxyphenoxy)cyclohexa-3,5-diene-1,2-dione",C12HCl7O4,457.286,0
Q27893775,78568,Octakis-O-(2-hydroxypropyl)sucrose,"1-[[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5R)-3,4-bis(2-hydroxypropoxy)-2,5-bis(2-hydroxypropoxymethyl)oxolan-2-yl]oxy-3,4,5-tris(2-hydroxypropoxy)oxan-2-yl]methoxy]propan-2-ol",C36H70O19,806.937,9
Q27893778,5318018,"3-Hepten-1-OL, (3E)-",(E)-hept-3-en-1-ol,C7H14O,114.188,0
Q27893779,154195,"1,2-Diethylhydrazine oxalate","1,2-diethylhydrazine;oxalic acid",C6H14N2O4,178.188,0
Q27893776,13440494,7-Methylbenzo(B)fluoranthene,N/A,C21H14,266.343,0
Q27893782,6441299,Lythrine,N/A,C26H29NO5,435.52,3
Q27893783,17834,ZINC malate,zinc;2-hydroxybutanedioate,C4H4O5Zn,197.451,0
Q27893787,13908975,Methyl 9-eicosenoate,methyl (Z)-icos-9-enoate,C21H40O2,324.549,0
Q27893784,43175,Calcium sodium nitrilotriacetate,calcium;sodium;2-[bis(carboxylatomethyl)amino]acetate,C6H6CaNNaO6,251.183,0
Q27893785,122173927,14-Phenylacetoxycodeine hydrochloride,"[(4R,4aS,7S,7aR,12bS)-7-hydroxy-9-methoxy-3-methyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a-yl] 2-phenylacetate;hydrochloride",C26H28ClNO5,469.962,5
Q27893788,90673315,"Luteinizing hormone-releasing hormone, (D-phe(sup 2)-val(sup 3)-D-trp(sup 6))-",H-Pyr-D-Phe-Val-Ser-Tyr-D-Trp-Leu-Arg-Pro-Gly-NH2,C61H83N15O13,1234.427,9
Q27893789,53462375,"N-Nitrosobamethan, (+/-)-",N-butyl-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]nitrous amide,C12H18N2O3,238.287,0
Q27893794,24838187,1-Isopropyl-2-aminofluorene,1-propan-2-yl-9H-fluoren-2-amine,C16H17N,223.319,0
Q27893792,6426709,Prolylglycine,H-Pro-Gly-OH,C7H12N2O3,172.184,1
Q27893793,24838186,1-Ethyl-2-aminofluorene,1-ethyl-9H-fluoren-2-amine,C15H15N,209.292,0
Q27893825,67934,"(3,3,3-Trifluoropropyl)methylsiloxane cyclic tetramer","2,4,6,8-tetramethyl-2,4,6,8-tetrakis(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane",C16H28F12O4Si4,624.717,0
Q27893831,91867185,XOHQPRNFRWNWQW-NYUPDZBESA-N,dThd-sP-dThd-sP-dGuo-sP-dCyd-sP-dThd-sP-dThd-sP-dCyd-sP-dCyd-sP-dAdo-sP-dThd-sP-dCyd-sP-dThd-sP-dThd-sP-dCyd-sP-dCyd-sP-dThd-sP-dCyd-sP-dGuo-sP-dThd-sP-dCyd,C192H250N57O107P19S19,6266.045,60
Q27893833,51366,"N-Hydroxy-N,N'-diacetylbenzidine",N-[4-[4-[acetyl(hydroxy)amino]phenyl]phenyl]acetamide,C16H16N2O3,284.315,0
Q27893840,6384254,"epsilon,psi-Carotene","6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,5,5-trimethylcyclohexene",C40H56,536.888,0
Q27893847,2762524,"4-Amino-2,6-dinitrobenzoic acid","4-amino-2,6-dinitrobenzoic acid",C7H5N3O6,227.132,0
Q27893845,2762523,"2-Amino-4,6-dinitrobenzoic acid",N/A,C7H5N3O6,227.132,0
Q27893851,24834615,"4'-Ethyl-4-nitrostilbene, (E)-",1-ethyl-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene,C16H15NO2,253.301,0
Q27893849,62842,Dehydrolinalool,"3,7-dimethyloct-6-en-1-yn-3-ol",C10H16O,152.237,0
Q27893852,237875,Bis(hydroxymethyl)phosphinic acid,bis(hydroxymethyl)phosphinic acid,C2H7O4P,126.048,0
Q27893853,24834664,"4'-Isopropyl-4-nitrostilbene, (E)-",1-[(E)-2-(4-nitrophenyl)ethenyl]-4-propan-2-ylbenzene,C17H17NO2,267.328,0
Q27893859,151102,3-Methyl-5-(4-phenylphenyl)pentanoic acid,3-methyl-5-(4-phenylphenyl)pentanoic acid,C18H20O2,268.356,0
Q27893856,44146738,Santanolide A,"(3S,3aS,5aR,9R,9aS,9bS)-3,5a,9-trimethyl-3,3a,4,5,6,7,8,9,9a,9b-decahydrobenzo[g][1]benzofuran-2-one",C15H24O2,236.355,6
Q27893857,6440172,"2-Stearo-1,3-diolein","1,3-bis[[(Z)-octadec-9-enoyl]oxy]propan-2-yl octadecanoate",C57H106O6,887.469,0
Q27893862,5284510,Phenyltrimethylammonium methosulfate,methyl sulfate;trimethyl(phenyl)azanium,C10H17NO4S,247.309,0
Q27893865,3080685,Dicopper arsenate hydroxide,dicopper;trioxido(oxo)-$l^{5}-arsane;hydroxide,AsCu2HO5,283.017,0
Q27893870,16253,"2,4,5-Tribromoimidazole","2,4,5-tribromo-1H-imidazole",C3HBr3N2,304.767,0
Q27893868,92014,P-(Tert-butyl)benzamide,4-tert-butylbenzamide,C11H15NO,177.247,0
Q27893875,149520,N-Butyl-N-(1-hydroperoxybutyl)nitrous amide,N-butyl-N-(1-hydroperoxybutyl)nitrous amide,C8H18N2O3,190.243,0
Q27893877,92732,Laudanine,"5-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-methoxyphenol",C20H25NO4,343.423,0
Q27893894,25760,2-Nitrofluoranthene,2-nitrofluoranthene,C16H9NO2,247.253,0
Q27893893,248886,"Tri-3,4-xylyl phosphate","tris(3,4-dimethylphenyl) phosphate",C24H27O4P,410.45,0
Q27893899,15786053,Fenamiphos desisopropyl,4-[amino(ethoxy)phosphoryl]oxy-2-methyl-1-methylsulfanylbenzene,C10H16NO3PS,261.276,0
Q27893897,6439953,"N-Formyl-N-hydroxy-4-aminostilbene, (E)-",N-hydroxy-N-[4-[(E)-2-phenylethenyl]phenyl]formamide,C15H13NO2,239.274,0
Q27893902,34273,N-Nitroso-N-methylhexylamine,N-hexyl-N-methylnitrous amide,C7H16N2O,144.218,0
Q27893900,93050,1-Heptyn-3-ol,hept-1-yn-3-ol,C7H12O,112.172,0
Q27893907,123403,4-Chloro-M-tolyl-P-nitrophenyl ether,1-chloro-2-methyl-4-(4-nitrophenoxy)benzene,C13H10ClNO3,263.677,0
Q27893904,135458,1-Hydroxybenz(A)anthracene,benzo[a]anthracen-1-ol,C18H12O,244.293,0
Q27893905,3014762,"1-(4-Methylphenyl)ethane-1,2-diol","1-(4-methylphenyl)ethane-1,2-diol",C9H12O2,152.193,0
Q27893910,294545,"3,8-Dithiadecane","1,4-bis(ethylsulfanyl)butane",C8H18S2,178.352,0
Q27893908,89807,3-Bromobenzamide,3-bromobenzamide,C7H6BrNO,200.035,0
Q27893914,119069,N-Acetyl-S-(2-phenyl-2-hydroxyethyl)cysteine,(2R)-2-acetamido-3-(2-hydroxy-2-phenylethyl)sulfanylpropanoic acid,C13H17NO4S,283.342,1
Q27893912,23673713,Sodium erucate,sodium;(Z)-docos-13-enoate,C22H41NaO2,360.558,0
Q27893913,114919,2'-O-Acetylerythromycin A,"[(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyloxan-3-yl] acetate",C39H69NO14,775.974,18
Q27893923,25230468,Edicotinib,"5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)pyridin-3-yl]-1H-imidazole-2-carboxamide",C27H35N5O2,461.61,0
Q27893921,120639,Prulaurasin,"2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile",C14H17NO6,295.291,5
Q27893935,24848590,"alpha-D-Glucopyranoside, 2-ethylhexyl","(2S,3R,4S,5S,6R)-2-(2-ethylhexoxy)-6-(hydroxymethyl)oxane-3,4,5-triol",C14H28O6,292.372,5
Q27893936,56842686,"alpha-D-Glucopyranoside, 2-ethylhexyl 6-O-alpha-D-glucopyranosyl-","(2S,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-(2-ethylhexoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol",C20H38O11,454.513,10
Q27893943,80983,3'-Chloro-3-nitrosalicylanilide,N-(3-chlorophenyl)-2-hydroxy-3-nitrobenzamide,C13H9ClN2O4,292.675,0
Q27893950,5087,4-(3-Butoxy-4-methoxybenzyl)imidazolidin-2-one,4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one,C15H22N2O3,278.352,0
Q27893955,2723649,8-Hydroxy-5-quinolinesulfonic acid monohydrate,8-hydroxyquinoline-5-sulfonic acid;hydrate,C9H9NO5S,243.233,0
Q27893952,5311339,Jtc-801,N-(4-amino-2-methylquinolin-6-yl)-2-[(4-ethylphenoxy)methyl]benzamide;hydrochloride,C26H26ClN3O2,447.963,0
Q27893978,22833379,"ZINC mixed O,O-bis(1,3-dimethylbutyl and isopropyl) dithiophosphates",zinc;4-methylpentan-2-yloxy-propan-2-yloxy-sulfanylidene-sulfido-$l^{5}-phosphane,C18H40O4P2S4Zn,576.082,0
Q27893984,338733,"4-Nonylphenol, branched",4-(7-methyloctyl)phenol,C15H24O,220.356,0
Q27893988,77463,"2,6,10-Trimethyl-2,6,10-triazaundecane","N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine",C11H27N3,201.358,0
Q27894028,2809273,"N-Phenyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide","N-phenyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide",C19H19N5OS,365.455,0
Q27894034,10146470,XUJQPDQURBZEGJ-UHFFFAOYSA-N,[2-[3-[methyl-[1-(naphthalene-2-carbonyl)piperidin-4-yl]carbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid,C40H35N2O6P,670.702,0
Q27894040,9869934,"Urea, N-(2,4-dibromophenyl)-N'-((4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)-","1-(2,4-dibromophenyl)-3-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]urea",C19H20Br2N2O3,484.188,2
Q27894045,11339118,4-[3-(Trifluoromethyl)pyridin-2-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide,4-[3-(trifluoromethyl)pyridin-2-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide,C17H15F6N5O,419.331,0
Q27894048,11488979,"(S)-3-(5-(3,4-Dichlorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-3-yl)-2-(3-methylphenyl)propionic acid","(2S)-3-[5-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanoic acid",C26H22Cl2N2O3,481.373,1
Q27894053,31240,3-(Chloromethyl)heptane,3-(chloromethyl)heptane,C8H17Cl,148.674,0
Q27894061,66724,4-Biphenylcarboxylic acid,4-phenylbenzoic acid,C13H10O2,198.221,0
Q27894069,66729,2-Acetylamino-5-nitroanisole,N-(2-methoxy-4-nitrophenyl)acetamide,C9H10N2O4,210.189,0
Q27894078,23653584,PRX-07034 hydrochloride,"N-[1-(5-chloro-2,3-dimethoxyphenyl)ethyl]-2-methylsulfonyl-5-piperazin-1-ylaniline;hydrochloride",C21H29Cl2N3O4S,490.44,0
Q27894091,121596630,WOOHSVAEAZCDLR-RUZDIDTESA-N,"ethyl 3-[3-cyano-4-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]phenyl]propanoate",C28H36N2O4,464.606,1
Q27894094,7018857,"2-Chloro-1-phenylethanol, (-)-",(1R)-2-chloro-1-phenylethanol,C8H9ClO,156.609,1
Q27894093,28659,Methyl 2-chloropropionate,methyl 2-chloropropanoate,C4H7ClO2,122.548,0
Q27894098,114825,"1-(6-{[17beta-3-Methoxyestra-1,3,5(10)-trien-17-yl]-amino}hexyl-2,5-pyrrolidine-dione","1-[6-[[(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]amino]hexyl]pyrrolidine-2,5-dione",C29H42N2O3,466.666,5
Q27894102,136799,4-Amino-2'-methylbiphenyl,4-(2-methylphenyl)aniline,C13H13N,183.254,0
Q27894103,101401,4-Amino-4'-iodobiphenyl,4-(4-iodophenyl)aniline,C12H10IN,295.123,0
Q27894107,83054,4-(2-Phenylethyl)aniline,4-(2-phenylethyl)aniline,C14H15N,197.281,0
Q27894110,3422743,2-Nitrobenzidine,4-(4-aminophenyl)-3-nitroaniline,C12H11N3O2,229.239,0
Q27894119,154830,1-(Methylnitrosoamino)-2-pentanone,N-methyl-N-(2-oxopentyl)nitrous amide,C6H12N2O2,144.174,0
Q27894116,107698,"1,2,3,4,6,7-Hexachloronaphthalene","1,2,3,4,6,7-hexachloronaphthalene",C10H2Cl6,334.826,0
Q27894130,93185,"3-Nitrosotetrahydro-1,3-oxazine","3-nitroso-1,3-oxazinane",C4H8N2O2,116.12,0
Q27894131,4312530,6-Amino-4-nitro-1-phenol-2-sulfonic acid,N/A,C6H6N2O6S,234.182,0
Q27894129,36828,N-Nitroso-N-methyloctylamine,N-methyl-N-octylnitrous amide,C9H20N2O,172.272,0
Q27894135,123017,3-Methyl-1-nitrosopiperidin-4-one,3-methyl-1-nitrosopiperidin-4-one,C6H10N2O2,142.158,0
Q27894139,69819,Nonanoyl chloride,nonanoyl chloride,C9H17ClO,176.684,0
Q27894140,14361872,"7-Oxabicyclo(4.1.0)hept-4-ene-2,3-diol, (1R,2S,3R,6S)-","(1S,4R,5S,6R)-7-oxabicyclo[4.1.0]hept-2-ene-4,5-diol",C6H8O3,128.127,4
Q27894141,94684,2-Tert-Butyl-2-[2-(4-chlorophenyl)ethyl]oxirane,2-tert-butyl-2-[2-(4-chlorophenyl)ethyl]oxirane,C14H19ClO,238.755,0
Q27894147,15708907,Tetracetylammonium chloride,tetrahexadecylazanium;chloride,C64H132ClN,951.217,0
Q27894144,137812,Distearyl sebacate,dioctadecyl decanedioate,C46H90O4,707.222,0
Q27894145,197146,Sodium tetraphosphate,hexasodium;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate,Na6O13P4,469.821,0
Q27894163,119158,5-Methyl meiqx,"3,5,8-trimethylimidazo[4,5-f]quinoxalin-2-amine",C12H13N5,227.271,0
Q27894166,128713,"1-(2,4-Dichlorophenoxy)-3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-propanol","1-(2,4-dichlorophenoxy)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propan-2-ol",C19H23Cl2NO4,400.296,0
Q27894168,119563,"8-Demethyl-4,7-dimethyl meiqx","3,4,7-trimethylimidazo[4,5-f]quinoxalin-2-amine",C12H13N5,227.271,0
Q27894169,58165347,Acrylic acid 2-[2-(2-methoxypropoxy)propoxy]propyl ester,2-[2-(2-methoxypropoxy)propoxy]propyl prop-2-enoate,C13H24O5,260.33,0
Q27894174,72829,"2,3-Pyridinecarboximide","pyrrolo[3,4-b]pyridine-5,7-dione",C7H4N2O2,148.121,0
Q27894183,526118,2-Methylpentacosane,2-methylpentacosane,C26H54,366.718,0
Q27894180,109503,M-Cresol sulfate,(3-methylphenyl) hydrogen sulfate,C7H8O4S,188.197,0
Q27894190,66751,Octyl benzoate,octyl benzoate,C15H22O2,234.339,0
Q27894191,11009532,1-Butyl-1-methylpyrrolidinium bromide,1-butyl-1-methylpyrrolidin-1-ium;bromide,C9H20BrN,222.17,0
Q27894193,442088,Evodiamine,N/A,C19H17N3O,303.365,1
Q27894198,104855,7-Methyl meiqx,"3,7,8-trimethylimidazo[4,5-f]quinoxalin-2-amine",C12H13N5,227.271,0
Q27894203,14007922,1-Butylpyridinium iodide,1-butylpyridin-1-ium;iodide,C9H14IN,263.122,0
Q27894206,20055133,"Bornylene, (+)-","(1S,4R)-4,7,7-trimethylbicyclo[2.2.1]hept-2-ene",C10H16,136.238,2
Q27894207,103747,"3,4,5-Trimethylhexan-1-ol","3,4,5-trimethylhexan-1-ol",C9H20O,144.258,0
Q27894204,308483,3-Cyanobenzoyl chloride,3-cyanobenzoyl chloride,C8H4ClNO,165.576,0
Q27894221,9820916,"5H-Imidazo(2,1-i)purin-5-one, 2-(4-bromophenyl)-1,4,7,8-tetrahydro-4-propyl-","2-(4-bromophenyl)-4-propyl-7,8-dihydro-1H-imidazo[2,1-f]purin-5-one",C16H16BrN5O,374.242,0
Q27894233,162366,Iminoctadine triacetate,acetic acid;2-[8-[8-(diaminomethylideneamino)octylamino]octyl]guanidine,C24H53N7O6,535.731,0
Q27894244,162210,Triethanolammonium isononanoate,2-[bis(2-hydroxyethyl)amino]ethanol;7-methyloctanoic acid,C15H33NO5,307.431,0
Q27894245,139498,Sec-Butyl Acetoacetate,butan-2-yl 3-oxobutanoate,C8H14O3,158.197,0
Q27894248,141917,2-(Bromomethyl)tetrahydro-2H-pyran,2-(bromomethyl)oxane,C6H11BrO,179.057,0
Q27894252,12195864,1-Butyl-1-methylpyrrolidinium triflate,1-butyl-1-methylpyrrolidin-1-ium;trifluoromethanesulfonate,C10H20F3NO3S,291.329,0
Q27894258,77311,N-(Chloromethylidene)-N-methylmethanaminium chloride,chloromethylidene(dimethyl)azanium;chloride,C3H7Cl2N,127.996,0
Q27894256,151161,2-(Decylthio)ethanamine,2-decylsulfanylethanamine,C12H27NS,217.415,0
Q27894257,2734248,1-Butylpyridinium triflate,1-butylpyridin-1-ium;trifluoromethanesulfonate,C10H14F3NO3S,285.281,0
Q27894262,134775,4-Nitrothalidomide,"2-(2,6-dioxopiperidin-3-yl)-4-nitroisoindole-1,3-dione",C13H9N3O6,303.23,0
Q27894263,107693,"1,2,3,5,6,7-Hexachloronaphthalene","1,2,3,5,6,7-hexachloronaphthalene",C10H2Cl6,334.826,0
Q27894261,221811,"4-Bromo-2',4'-dinitrodiphenyl ether","1-(4-bromophenoxy)-2,4-dinitrobenzene",C12H7BrN2O5,339.101,0
Q27894267,11769095,1-Butyl-1-methylpyrrolidinium chloride,1-butyl-1-methylpyrrolidin-1-ium;chloride,C9H20ClN,177.716,0
Q27894264,2734171,N-Butylpyridinium chloride,1-butylpyridin-1-ium;chloride,C9H14ClN,171.668,0
Q27894265,189554,"(S)-Cyano(3-phenoxyphenyl)methyl (1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate","[(S)-cyano-(3-phenoxyphenyl)methyl] (1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate",C22H19Cl2NO3,416.298,3
Q27894270,14671598,Terbufos oxon sulfone,2-(diethoxyphosphorylsulfanylmethylsulfonyl)-2-methylpropane,C9H21O5PS2,304.356,0
Q27894271,42620689,"[(2E,4E)-5-Anilinopenta-2,4-dienylidene]-phenylazanium chloride","(E)-[(2E,4E)-5-anilinopenta-2,4-dienylidene]-phenylazanium;chloride",C17H17ClN2,284.787,0
Q27894274,62315,"2,2-Dichloro-1,1,1,3,3-pentafluoropropane","2,2-dichloro-1,1,1,3,3-pentafluoropropane",C3HCl2F5,202.933,0
Q27894273,62310,"1,1-Dichloro-1,2,3,3,3-pentafluoropropane","1,1-dichloro-1,2,3,3,3-pentafluoropropane",C3HCl2F5,202.933,0
Q27894278,23681382,Sodium 2-methylbenzenesulfonate,sodium;2-methylbenzenesulfonate,C7H7NaO3S,194.18,0
Q27894277,61090,"3,3'-Dimethyldiphenyl methane-4,4'-diisocyanate",1-isocyanato-4-[(4-isocyanato-3-methylphenyl)methyl]-2-methylbenzene,C17H14N2O2,278.311,0
Q27894282,92288942,"N-(2-Methoxy-1-methylethyl)-2,4-dimethyl-3-thiophenamine, (R)-","N-[(2R)-1-methoxypropan-2-yl]-2,4-dimethylthiophen-3-amine",C10H17NOS,199.312,1
Q27894283,22100,Ethyl N-(2-dimethoxyphosphinothioylsulfanylethyl)carbamate,ethyl N-(2-dimethoxyphosphinothioylsulfanylethyl)carbamate,C7H16NO4PS2,273.302,0
Q27894281,163875,"N,N,N',N'-Tetrabutyl-N,N'-diethyl-1,6-hexanediaminium dihydroxide",dibutyl-[6-[dibutyl(ethyl)azaniumyl]hexyl]-ethylazanium;dihydroxide,C26H60N2O2,432.778,0
Q27894287,23622926,N-(Biphenyl-4-yl)formhydroxamic acid,N-hydroxy-N-(4-phenylphenyl)formamide,C13H11NO2,213.236,0
Q27894284,77763,2-Decyn-1-OL,dec-2-yn-1-ol,C10H18O,154.253,0
Q27894285,27822,N-Nitrosomethylheptylamine,N-heptyl-N-methylnitrous amide,C8H18N2O,158.245,0
Q27894291,70499,4-Butylmorpholine,4-butylmorpholine,C8H17NO,143.23,0
Q27894289,22833419,Bis(2-chloro-1-methylethyl) 2-chloropropyl phosphate,bis(1-chloropropan-2-yl) 2-chloropropyl phosphate,C9H18Cl3O4P,327.563,0
Q27894295,27909,2-Methyl-3-butenenitrile,2-methylbut-3-enenitrile,C5H7N,81.118,0
Q27894293,205493,Dimethylaminopropionitrile hydrochloride,3-(dimethylamino)propanenitrile;hydrochloride,C5H11ClN2,134.607,0
Q27894298,146566,8-Nitro-benzo(E)pyren-1-OL,1-nitrobenzo[l]pyren-8-ol,C20H11NO3,313.312,0
Q27894297,86323,1-Methyl-7-nitronaphthalene,1-methyl-7-nitronaphthalene,C11H9NO2,187.198,0
Q27894301,146587,9-((3-(Dimethylamino)propyl)amino)-1-nitro-4-acridinecarboxylic acid methyl ester,methyl 9-[3-(dimethylamino)propylamino]-1-nitroacridine-4-carboxylate,C20H22N4O4,382.42,0
Q27894305,150608,1-Nitrosobenzo(A)pyrene,1-nitrosobenzo[a]pyrene,C20H11NO,281.314,0
Q27894310,150594,"2,5-Dimethyl-3H-phenanthro(3,4-D)imidazol-10-OL","2,5-dimethyl-3H-naphtho[1,2-e]benzimidazol-10-ol",C17H14N2O,262.312,0
Q27894315,3034802,"3-Methyl-2-nitro-3H-imidazo(4,5-F)quinoline","3-methyl-2-nitroimidazo[4,5-f]quinoline",C11H8N4O2,228.211,0
Q27894313,150592,"1-Methyl-1H-naphth(2,1-G)indol-10-OL","1-methylnaphtho[2,1-g]indol-10-ol",C17H13NO,247.297,0
Q27894318,2723598,Aminacrine hydrochloride monohydrate,acridin-9-amine;hydrate;hydrochloride,C13H13ClN2O,248.71,0
Q27894319,14760831,"O,O,O-Trimethylalternariol","3,7,9-trimethoxy-1-methylbenzo[c]chromen-6-one",C17H16O5,300.31,0
Q27894317,130739,Ikp-104,"1-(2-chloro-3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-3-methyl-6-phenylpyridin-4-one",C26H21ClFNO3,449.906,0
Q27894323,146582,1-Methyl-2-nitrosoimidazole,1-methyl-2-nitrosoimidazole,C4H5N3O,111.104,0
Q27894326,146622,N2-(beta-1-Glucosiduronyl)meiqx,"(2S,3S,4S,5R,6R)-6-[(3,8-dimethylimidazo[4,5-f]quinoxalin-2-yl)amino]-3,4,5-trihydroxyoxane-2-carboxylic acid",C17H19N5O6,389.368,5
Q27894327,150573,"Benzo(K)fluoranthene-2,3-dione","benzo[k]fluoranthene-4,5-dione",C20H10O2,282.298,0
Q27894328,60552,4-Chloro-2-hydroxy-3-methyl-2H-furan-5-one,4-chloro-2-hydroxy-3-methyl-2H-furan-5-one,C5H5ClO3,148.542,0
Q27894329,146567,3-Nitro-8-fluoranthenol,3-nitrofluoranthen-8-ol,C16H9NO3,263.252,0
Q27894339,2733325,3-(Dichloromethyl)benzoyl chloride,3-(dichloromethyl)benzoyl chloride,C8H5Cl3O,223.477,0
Q27894336,5351515,Jaconine,N/A,C18H26ClNO6,387.857,6
Q27894337,44717198,1-Butyl-1-methylpyrrolidinium tetrafluoroborate,1-butyl-1-methylpyrrolidin-1-ium;tetrafluoroborate,C9H20BF4N,229.07,0
Q27894340,66884,"(1,3-Phenylenedioxy)diacetic acid",2-[3-(carboxymethoxy)phenoxy]acetic acid,C10H10O6,226.184,0
Q27894346,519757,Hexyl lactate,hexyl 2-hydroxypropanoate,C9H18O3,174.24,0
Q27894344,102856,(3-Glycidyloxypropyl)triethoxysilane,triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane,C12H26O5Si,278.42,0
Q27894348,66774,Methyl glycolate,methyl 2-hydroxyacetate,C3H6O3,90.078,0
Q27894349,18053,"2-Methylbutane-1,4-diol","2-methylbutane-1,4-diol",C5H12O2,104.149,0
Q27894353,20055423,BLAYNXSEESFUHR-XIVVIQKRSA-N,"(2R,3R)-2,3-dihydroxybutanedioic acid;methyl (1R,15S,17R,18R,19S,20S)-3-[2-(diethylamino)ethyl]-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-11,12,14,15,16,17,18,19,20,21-decahydro-1H-yohimban-19-carboxylate",C43H59N3O15,857.951,8
Q27894357,76503,3-Nitrocarbazole,3-nitro-9H-carbazole,C12H8N2O2,212.208,0
Q27894363,545553,2-Ethyldodecan-1-ol,2-ethyldodecan-1-ol,C14H30O,214.393,0
Q27894364,107896,Gabazine free base,4-[6-imino-3-(4-methoxyphenyl)pyridazin-1-yl]butanoic acid,C15H17N3O3,287.319,0
Q27894370,193832,N-Butylpyridinium chloride,1-butylpyridin-1-ium,C9H14N+,136.218,0
Q27894368,75100,"Bis(2,6-diisopropylphenyl)carbodiimide","N,N'-bis[2,6-di(propan-2-yl)phenyl]methanediimine",C25H34N2,362.561,0
Q27894369,545551,2-Hexyl-1-octanol,2-hexyloctan-1-ol,C14H30O,214.393,0
Q27894374,60984,Methyl bromoacetate,methyl 2-bromoacetate,C3H5BrO2,152.975,0
Q27894375,422780,2-Methyl-2-methylamino-1-propanol,2-methyl-2-(methylamino)propan-1-ol,C5H13NO,103.165,0
Q27894379,224765,"2-Pentadecyl-4,5-dihydro-1h-imidazole","2-pentadecyl-4,5-dihydro-1H-imidazole",C18H36N2,280.5,0
Q27894377,43716,1-(4-Methoxynaphthalen-1-yl)prop-2-enyl acetate,1-(4-methoxynaphthalen-1-yl)prop-2-enyl acetate,C16H16O3,256.301,0
Q27894380,11749,2-Nitrobutane,2-nitrobutane,C4H9NO2,103.121,0
Q27894387,93142,"3,8-Dihydroxy-3-methylisochroman-1-one","3,8-dihydroxy-3-methyl-4H-isochromen-1-one",C10H10O4,194.186,0
Q27894390,54165450,3-Deoxy-3-fluoro-D-gluconic acid,"(2S,3S,4R,5R)-3-fluoro-2,4,5,6-tetrahydroxyhexanoic acid",C6H11FO6,198.146,4
Q27894394,6438129,Teniloxazine maleate,(Z)-but-2-enedioic acid;2-[[2-(thiophen-2-ylmethyl)phenoxy]methyl]morpholine,C20H23NO6S,405.465,0
Q27894392,76547,"2,4-Diaminomesitylene","2,4,6-trimethylbenzene-1,3-diamine",C9H14N2,150.225,0
Q27894404,91538,"2-Methoxy-3,4-dihydro-2H-pyran","2-methoxy-3,4-dihydro-2H-pyran",C6H10O2,114.144,0
Q27894411,6434346,3'-Bromoisosafrole,"5-[(E)-3-bromoprop-1-enyl]-1,3-benzodioxole",C10H9BrO2,241.084,0
Q27894414,94289,2-Ethylhexyl carbamate,2-ethylhexyl carbamate,C9H19NO2,173.256,0
Q27894415,397888,Lmp-744,N/A,C24H24N2O7,452.463,0
Q27894418,81357,5-Methyl-1-tetralone,"5-methyl-3,4-dihydro-2H-naphthalen-1-one",C11H12O,160.216,0
Q27894422,54680473,3-(alpha-Phenyl-beta-benzoylethyl)-4-hydroxycoumarin,"4-hydroxy-3-(3-oxo-1,3-diphenylpropyl)chromen-2-one",C24H18O4,370.404,0
Q27894420,101122,2-Aminoheptanedioic acid,H-DL-Apm-OH,C7H13NO4,175.184,0
Q27894426,220164,Cyclopent-2-en-1-ol,cyclopent-2-en-1-ol,C5H8O,84.118,0
Q27894431,11048104,1-Butyl-1-methylpyrrolidinium bistriflimide,bis(trifluoromethylsulfonyl)azanide;1-butyl-1-methylpyrrolidin-1-ium,C11H20F6N2O4S2,422.401,0
Q27894429,85767,N-(2-Nitro-1-phenylpropyl)ethylenediamine,"N'-(2-nitro-1-phenylpropyl)ethane-1,2-diamine",C11H17N3O2,223.276,0
Q27894434,161875,2-Dodecylcyclobutan-1-one,2-dodecylcyclobutan-1-one,C16H30O,238.415,0
Q27894435,37839,Isovelleral,"(1aS,3aS,6aS,6bR)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]indene-1a,2-dicarbaldehyde",C15H20O2,232.323,4
Q27894437,1550346,"Ethyl 2-cyano-3-ethoxyacrylate, (2Z)-",ethyl (Z)-2-cyano-3-ethoxyprop-2-enoate,C8H11NO3,169.18,0
Q27894443,257452,2-Hydroxy-5-methylbenzyl alcohol,2-(hydroxymethyl)-4-methylphenol,C8H10O2,138.166,0
Q27894440,2734180,1-Butylpyridinium tetrafluoroborate,1-butylpyridin-1-ium;tetrafluoroborate,C9H14BF4N,223.022,0
Q27894446,29420,2-Ethoxy-1-propanol,2-ethoxypropan-1-ol,C5H12O2,104.149,0
Q27894448,147532,9-Phenanthryloxirane,2-phenanthren-9-yloxirane,C16H12O,220.271,0
Q27894452,148940,2-[2-(4-Phenylphenyl)ethyl]oxirane,2-[2-(4-phenylphenyl)ethyl]oxirane,C16H16O,224.303,0
Q27894466,152937,"N-(3,4,5-Trichlorophenyl)succinamide","1-(3,4,5-trichlorophenyl)pyrrolidine-2,5-dione",C10H6Cl3NO2,278.513,0
Q27894467,210172,"Azaspiro[4.5]decane-7,9-dione dihydrochloride","8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride",C22H33Cl2N3O3,458.424,0
Q27894464,86804,3-(Bromomethyl)heptane,3-(bromomethyl)heptane,C8H17Br,193.128,0
Q27894471,124682,2-(4-Nitrophenoxy)oxirane,2-(4-nitrophenoxy)oxirane,C8H7NO4,181.147,0
Q27894474,38357,2-Methyl-3-nitrosooxazolidine,"2-methyl-3-nitroso-1,3-oxazolidine",C4H8N2O2,116.12,0
Q27894472,147617,5-Methyl-3-nitrosooxazolidine,"5-methyl-3-nitroso-1,3-oxazolidine",C4H8N2O2,116.12,0
Q27894486,111420,O-(2-Ethylhexyl) o-isopropyl dithiophosphate,2-ethylhexoxy-propan-2-yloxy-sulfanyl-sulfanylidene-$l^{5}-phosphane,C11H25O2PS2,284.413,0
Q27894488,47496,2-Chloroethyl laurate,2-chloroethyl dodecanoate,C14H27ClO2,262.818,0
Q27894494,6451478,ZINC bis(pentachlorophenolate),"zinc;2,3,4,5,6-pentachlorophenolate",C12Cl10O2Zn,596.01,0
Q27894498,100019,3-Sec-Butyl-6-methyluracil,"3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione",C9H14N2O2,182.223,0
Q27894499,67304,"4-Amino-1,3-benzenedisulfonic acid","4-aminobenzene-1,3-disulfonic acid",C6H7NO6S2,253.243,0
Q27894502,192827,Thujaplicatin methyl ether,"(3S,4S)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one",C21H24O7,388.416,2
Q27894501,23665720,Sodium naphthionate,sodium;4-aminonaphthalene-1-sulfonate,C10H8NNaO3S,245.228,0
Q27894506,160676,3-Acetyl-4-ethenyl-5-methyloxolan-2-one,3-acetyl-4-ethenyl-5-methyloxolan-2-one,C9H12O3,168.192,0
Q27894507,24838185,1-Butyl-2-aminofluorene,1-butyl-9H-fluoren-2-amine,C17H19N,237.346,0
Q27894504,22167106,1-Tert-butyl-2-aminonaphthalene,1-tert-butylnaphthalen-2-amine,C14H17N,199.297,0
Q27894505,16684137,Dioctyltin bis(lauryl maleate),4-O-[[(Z)-4-dodecoxy-4-oxobut-2-enoyl]oxy-dioctylstannyl] 1-O-dodecyl (Z)-but-2-enedioate,C48H88O8Sn,911.934,0
Q27894508,9971176,Nornalmefene,"(4R,4aS,7aS,12bS)-7-methylidene-1,2,3,4,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol",C17H19NO3,285.343,4
Q27894515,7380,4-Tert-butyl-2-chlorophenol,4-tert-butyl-2-chlorophenol,C10H13ClO,184.663,0
Q27894512,133796,Acetoxymethylphenylnitrosamine,(N-nitrosoanilino)methyl acetate,C9H10N2O3,194.19,0
Q27894513,24835781,3-Butyl-4-aminobiphenyl,2-butyl-4-phenylaniline,C16H19N,225.335,0
Q27894518,101680,Camphene hydrate,"2,2,3-trimethylbicyclo[2.2.1]heptan-3-ol",C10H18O,154.253,0
Q27894519,66796,4-Chloro-3-nitrophenyl methyl sulfone,1-chloro-4-methylsulfonyl-2-nitrobenzene,C7H6ClNO4S,235.638,0
Q27894517,56886,N-Hydroxy-N-1-pyrenylacetamide,N-hydroxy-N-pyren-1-ylacetamide,C18H13NO2,275.307,0
Q27894523,32883,2-Chloro-P-xylene,"2-chloro-1,4-dimethylbenzene",C8H9Cl,140.61,0
Q27894527,151911,"2,4,5-Trichloromandelic acid","2-hydroxy-2-(2,4,5-trichlorophenyl)acetic acid",C8H5Cl3O3,255.475,0
Q27894524,7033,"4,4'-Dichlorobenzhydrol",bis(4-chlorophenyl)methanol,C13H10Cl2O,253.122,0
Q27894530,92229,4-Methylumbelliferyl beta-D-xylopyranoside,"4-methyl-7-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxychromen-2-one",C15H16O7,308.286,4
Q27894531,66169,"2-Ethyl-2-methyl-1,3-propanediol","2-ethyl-2-methylpropane-1,3-diol",C6H14O2,118.176,0
Q27894533,85673,Dimethyl ethylsuccinate,dimethyl 2-ethylbutanedioate,C8H14O4,174.196,0
Q27894536,22833363,"O-Sec-butyl O-(1,3-dimethylbutyl) hydrogen dithiophosphate",butan-2-yloxy-(4-methylpentan-2-yloxy)-sulfanyl-sulfanylidene-$l^{5}-phosphane,C10H23O2PS2,270.386,0
Q27894558,74963268,Erlotinib metabolite M16,"4-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]-2-ethynylphenol",C22H23N3O5,409.442,0
Q27894561,12581117,"4'-Fluorochalcone, (Z)-",(Z)-1-(4-fluorophenyl)-3-phenylprop-2-en-1-one,C15H11FO,226.25,0
Q27894566,140983,"1,2-Dichloro-2-methylbutane","1,2-dichloro-2-methylbutane",C5H10Cl2,141.035,0
Q27894568,2734238,1-Butylpyridinium bromide,1-butylpyridin-1-ium;bromide,C9H14BrN,216.122,0
Q27894577,11076461,1-Butyl-1-methylpyrrolidinium iodide,1-butyl-1-methylpyrrolidin-1-ium;iodide,C9H20IN,269.17,0
Q27894581,75691,Triethoxypropylsilane,triethoxy(propyl)silane,C9H22O3Si,206.357,0
Q27894590,121490081,WT-1 427 Long,H-Arg-Ser-Asp-Glu-Leu-Val-Arg-His-His-Asn-Met-His-Gln-Arg-Asn-Met-Thr-Lys-Leu-OH,C98H164N38O29S2,2402.747,20
Q27894589,121490080,WT-1 122 Long,H-Ser-Gly-Gln-Ala-Tyr-Met-Phe-Pro-Asn-Ala-Pro-Tyr-Leu-Pro-Ser-Cys-Leu-Glu-Ser-OH,C93H135N21O29S2,2075.341,18
Q27894592,121490082,WT-1 331 Long,H-Pro-Gly-Cys-Asn-Lys-Arg-Tyr-Phe-Lys-Leu-Ser-His-Leu-Gln-Met-His-Ser-Arg-Lys-His-Thr-Gly-OH,C114H181N39O29S2,2626.066,21
Q27894602,24003,Trimethylplumbane,trimethylplumbane,C3H10Pb,253.313,0
Q27894603,146459,2-Amino-5-((4-amino-3-chlorophenyl)methyl)-3-chlorophenol,2-amino-5-[(4-amino-3-chlorophenyl)methyl]-3-chlorophenol,C13H12Cl2N2O,283.152,0
Q27894606,150596,"2-Acetylamino-3,4-dimethylimidazo(4,5-F)quinoline","N-(3,4-dimethylimidazo[4,5-f]quinolin-2-yl)acetamide",C14H14N4O,254.293,0
Q27894604,154192,4-((4-Amino-3-chlorophenyl)methyl)-2-chloro-N-hydroxybenzenamine,N-[4-[(4-amino-3-chlorophenyl)methyl]-2-chlorophenyl]hydroxylamine,C13H12Cl2N2O,283.152,0
Q27894605,146568,"Glycidyl 4-nitrobenzoate, (S)-",[(2S)-oxiran-2-yl]methyl 4-nitrobenzoate,C10H9NO5,223.184,1
Q27894610,135398,"2,4(1H,3H)-Pyrimidinedione, 3-(4-chloro-5-ethoxy-2-fluorophenyl)-1-methyl-6-(trifluoromethyl)-","3-(4-chloro-5-ethoxy-2-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione",C14H11ClF4N2O3,366.697,0
Q27894611,135851,8-Fluorobenzo(K)fluoranthene,8-fluorobenzo[k]fluoranthene,C20H11F,270.306,0
Q27894608,135399,TYHHEFGPKVJXQR-UHFFFAOYSA-N,"3-[4-chloro-2-fluoro-5-(methylsulfanylmethoxy)phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione",C14H11ClF4N2O3S,398.757,0
Q27894609,93481,Methyl 3-(3-tert-butyl-5-(2H-benzotriazol-2-YL)-4-hydroxyphenyl)propionate,methyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate,C20H23N3O3,353.422,0
Q27894614,3081993,alpha-Tocopheronolactone,"2,3,5-trimethyl-6-[2-(2-methyl-5-oxooxolan-2-yl)ethyl]cyclohexa-2,5-diene-1,4-dione",C16H20O4,276.332,0
Q27894615,109420,Dihydromethyl-alpha-ionone,"1-(2,6,6-trimethylcyclohex-2-en-1-yl)pentan-3-one",C14H24O,208.345,0
Q27894613,95416,Benzoin acetate,"(2-oxo-1,2-diphenylethyl) acetate",C16H14O3,254.285,0
Q27894618,154064,"Dibenzo(b,e)(1,4)dioxin-1-carboxamide, N-(2-(dimethylamino)ethyl)-",N-[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1-carboxamide,C17H18N2O3,298.342,0
Q27894616,150571,N-(2-(Dimethylamino)ethyl)-10H-phenoxazine-1-carboxamide,N-[2-(dimethylamino)ethyl]-10H-phenoxazine-1-carboxamide,C17H19N3O2,297.358,0
Q27894622,4047131,3-Nitrobenzidine,4-(4-aminophenyl)-2-nitroaniline,C12H11N3O2,229.239,0
Q27894623,146617,N-Acetoxy-N-acetyl-4-aminodiphenyl thioether,(N-acetyl-4-phenylsulfanylanilino) acetate,C16H15NO3S,301.36,0
Q27894620,147563,"3,3'-Dibromobenzidine",4-(4-amino-3-bromophenyl)-2-bromoaniline,C12H10Br2N2,342.034,0
Q27894621,150570,"N-(2-(Dimethylamino)ethyl)-11-oxo-11H-pyrido(2,1-B)quinazoline-6-carboxamide","N-[2-(dimethylamino)ethyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide",C17H18N4O2,310.357,0
Q27894626,150059,N-Acetyl-O-dianisidine,N-[4-(4-amino-3-methoxyphenyl)-2-methoxyphenyl]acetamide,C16H18N2O3,286.331,0
Q27894627,3036482,"1,2,3,4,4-Pentachlorobutadienyl 2-nitrophenyl disulfide","1-nitro-2-[[(1E)-1,2,3,4,4-pentachlorobuta-1,3-dienyl]disulfanyl]benzene",C10H4Cl5NO2S2,411.517,0
Q27894624,146182,"3,3'-Dicarbomethoxybenzidine",methyl 2-amino-5-(4-amino-3-methoxycarbonylphenyl)benzoate,C16H16N2O4,300.314,0
Q27894630,35405,"O,P'-Methoxychlor","1-methoxy-2-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene",C16H15Cl3O2,345.644,0
Q27894628,146628,"N9-(3-(Dimethylamino)propyl)-N4,N4-dimethyl-1-nitro-4,9-acridinediamine","9-N-[3-(dimethylamino)propyl]-4-N,4-N-dimethyl-1-nitroacridine-4,9-diamine",C20H25N5O2,367.453,0
Q27894634,97193,4-Amino-4'-cyanobiphenyl,4-(4-aminophenyl)benzonitrile,C13H10N2,194.237,0
Q27894635,14564,4-Amino-4'-methylbiphenyl,4-(4-methylphenyl)aniline,C13H13N,183.254,0
Q27894632,14593,4-Amino-4'-nitrobiphenyl,4-(4-nitrophenyl)aniline,C12H10N2O2,214.224,0
Q27894633,146588,"N3-(4-Chloro-1-nitro-9-acridinyl)-N1,N1-dimethyl-1,3-propanediamine","N-(4-chloro-1-nitroacridin-9-yl)-N',N'-dimethylpropane-1,3-diamine",C18H19ClN4O2,358.826,0
Q27894638,154193,"1-Hydroxydibenz(A,C)anthracene",benzo[n]triphenylen-8-ol,C22H14O,294.353,0
Q27894636,146583,3-Fluorobenzo(K)fluoranthene,3-fluorobenzo[k]fluoranthene,C20H11F,270.306,0
Q27894637,44304,4-Amino-3-methylbiphenyl,2-methyl-4-phenylaniline,C13H13N,183.254,0
Q27894640,146576,Meiqx N2-sulfamic acid,"(3,8-dimethylimidazo[4,5-f]quinoxalin-2-yl)sulfamic acid",C11H11N5O3S,293.301,0
Q27894647,7130,2-Isobutylquinoline,2-(2-methylpropyl)quinoline,C13H15N,185.27,0
Q27894645,23410,"2-Hydroxy-2,5-dimethylhexanedial","2-hydroxy-2,5-dimethylhexanedial",C8H14O3,158.197,0
Q27894649,119308,8-Demethyl-7-methyl meiqx,"3,7-dimethylimidazo[4,5-f]quinoxalin-2-amine",C11H11N5,213.244,0
Q27894654,202672,"2-(p-(2-Cyclohexyl-1,2,3,4-tetrahydro-1-naphthyl)phenoxy)triethylamine citrate","2-[4-(2-cyclohexyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy]-N,N-diethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid",C34H47NO8,597.749,0
Q27894653,41935,2-Ethyl-1-nitroanthraquinone,"2-ethyl-1-nitroanthracene-9,10-dione",C16H11NO4,281.267,0
Q27894658,61329,"N,N-Diisopropylaniline","N,N-di(propan-2-yl)aniline",C12H19N,177.291,0
Q27894657,17160,"4,5-Dichloroguaiacol","4,5-dichloro-2-methoxyphenol",C7H6Cl2O2,193.023,0
Q27894660,22833491,Chromium picolinate monohydrate,chromium(3+);pyridine-2-carboxylate;hydrate,C18H14CrN3O7,436.32,0
Q27894661,6437382,Cyanoginosin LA,"(5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid",C46H67N7O12,910.079,10
Q27894664,427979,Tris(4-dimethylaminophenyl)phosphine oxide,"4-bis[4-(dimethylamino)phenyl]phosphoryl-N,N-dimethylaniline",C24H30N3OP,407.498,0
Q27894665,66943,Bromo(ethyl)mercury,bromo(ethyl)mercury,C2H5BrHg,309.558,0
Q27894671,3534526,2-Anilino-3-methyl-6-(dibutylamino)fluoran,"2'-anilino-6'-(dibutylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one",C35H36N2O3,532.684,0
Q27894676,12878836,Phenthoate acid,2-dimethoxyphosphinothioylsulfanyl-2-phenylacetic acid,C10H13O4PS2,292.304,0
Q27894686,21619272,2-Acetoxy-5-nitrobenzyl chloride,[2-(chloromethyl)-4-nitrophenyl] acetate,C9H8ClNO4,229.616,0
Q27894685,141484,"5-Tert-butyl-3H-1,2-dithiole-3-thione",5-tert-butyldithiole-3-thione,C7H10S3,190.337,0
Q27894689,20849318,"O-(1,3-Dimethylbutyl) O-(isopropyl)dithiophosphate",4-methylpentan-2-yloxy-propan-2-yloxy-sulfanyl-sulfanylidene-$l^{5}-phosphane,C9H21O2PS2,256.359,0
Q27894694,6438196,Balinol,"(E)-2-ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol",C14H24O,208.345,0
Q27894693,9984488,"6-(2-(4-(Benzo(D)isothiazol-3-YL)piperazin-1-YL)ethyl)-4,4,8-trimethyl-3,4-dihydro-1H-quinolin-2-one","6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-4,4,8-trimethyl-1,3-dihydroquinolin-2-one",C25H30N4OS,434.602,0
Q27894698,54380055,Ivl-984,5-[[(1R)-2-carboxy-1-[4-[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]phenyl]ethyl]amino]-5-oxopentanoic acid,C31H34N4O8,590.633,1
Q27894703,9981849,"5-Fluoro-2-(chinolin-8-sulfonylamino)-N-(1-phenylpropyl)benzamide, (S)-",5-fluoro-N-[(1S)-1-phenylpropyl]-2-(quinolin-8-ylsulfonylamino)benzamide,C25H22FN3O3S,463.527,1
Q27894739,21243,3-Chloro-2-methyl-1-butene,3-chloro-2-methylbut-1-ene,C5H9Cl,104.577,0
Q27894765,43858,2-Methylhexan-1-ol,2-methylhexan-1-ol,C7H16O,116.204,0
Q27894770,24834426,"4'-Ethyl-4-aminostilbene, (E)-",4-[(E)-2-(4-ethylphenyl)ethenyl]aniline,C16H17N,223.319,0
Q27894771,24835769,"4'-(1,1-Dimethylethyl)-N-hydroxy(1,1'-biphenyl)-4-amine",N-[4-(4-tert-butylphenyl)phenyl]hydroxylamine,C16H19NO,241.334,0
Q27894768,24834428,"4'-Isopropyl-4-aminostilbene, (E)-",4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]aniline,C17H19N,237.346,0
Q27894769,15751519,LQIOLFAOWGBWPX-UHFFFAOYSA-N,"5-cyclopropyl-8-fluoro-2-hydroxy-7-(4-methylpiperazin-1-yl)pyrimido[1,6-a]benzimidazole-1,3-dione",C18H20FN5O3,373.388,0
Q27894774,255899,Stearylamine acetate,acetic acid;octadecan-1-amine,C20H43NO2,329.569,0
Q27894775,75612,Propionylcholine,trimethyl(2-propanoyloxyethyl)azanium,C8H18NO2+,160.237,0
Q27894773,24835768,"3-(1,1-Dimethylethyl)(1,1'-biphenyl)-4-amine",2-tert-butyl-4-phenylaniline,C16H19N,225.335,0
Q27894779,121596617,Pimodivir hydrochloride anhydrous,"(2S,3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid;hydrochloride",C20H20ClF2N5O2,435.86,2
Q27894777,107324,"2,4,4-Trimethylcyclopentanone","2,4,4-trimethylcyclopentan-1-one",C8H14O,126.199,0
Q27894787,122173971,"N-Butyl-1H-pyrazolo(3,4-D)pyrimidin-4-amine","N-butyl-3H-pyrazolo[3,4-d]pyrimidin-4-amine",C9H13N5,191.238,0
Q27894788,111068,Butyl beta-D-glucopyranoside,"(2R,3R,4S,5S,6R)-2-butoxy-6-(hydroxymethyl)oxane-3,4,5-triol",C10H20O6,236.264,5
Q27894789,73558,Mandelamide,2-hydroxy-2-phenylacetamide,C8H9NO2,151.165,0
Q27894794,9909740,Adlupulone,"3,5-dihydroxy-2-(2-methylbutanoyl)-4,6,6-tris(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one",C26H38O4,414.586,0
Q27894799,16211347,Trisodium hedta monohydrate,trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate;hydrate,C10H17N2Na3O8,362.221,0
Q27894796,2735162,4-Vinylbenzyl alcohol,(4-ethenylphenyl)methanol,C9H10O,134.178,0
Q27894826,15953870,SCELLOWTHJGVIC-BGYRXZFFSA-N,"2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]acetamide",C30H33N3O5S,547.67,2
Q27894843,562246,Benzyl caprate,benzyl decanoate,C17H26O2,262.393,0
Q27894856,5460588,3-O-Methylmycarose,"(3R,4S,5S)-4,5-dihydroxy-3-methoxy-3-methylhexanal",C8H16O4,176.212,3
Q27894880,105041,8-Demethyl meiqx,"3-methylimidazo[4,5-f]quinoxalin-2-amine",C10H9N5,199.217,0
Q27895009,5459798,Hercynine,(2S)-3-(1H-imidazol-5-yl)-2-(trimethylazaniumyl)propanoate,C9H15N3O2,197.238,1
Q27895030,76961482,Amedalin,(3S)-3-methyl-3-[3-(methylamino)propyl]-1-phenylindol-2-one,C19H22N2O,294.398,1
Q27895091,57161740,"Benzene, (1-methylpropyl)(1-phenylethyl)-",1-butan-2-yl-4-(1-phenylethyl)benzene,C18H22,238.374,0
Q27895104,106216,2-Isopropyl-3-methylthiopyrazine,2-methylsulfanyl-3-propan-2-ylpyrazine,C8H12N2S,168.258,0
Q27895124,60143283,Psma-hbed-CC,(2S)-2-[[(1S)-1-carboxy-5-[6-[3-[3-[[2-[[5-(2-carboxyethyl)-2-hydroxyphenyl]methyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]methyl]-4-hydroxyphenyl]propanoylamino]hexanoylamino]pentyl]carbamoylamino]pentanedioic acid,C44H62N6O17,947.005,2
Q27895158,442646,Lobelanidine,"(1R)-2-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanol",C22H29NO2,339.479,4
Q27895178,11956739,2-Hydroxyfebuxostat,"2-[3-cyano-4-(2-hydroxy-2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid",C16H16N2O4S,332.374,0
Q27895180,92136281,"3-Hydroxyfebuxostat, (S)-","2-[3-cyano-4-[(2S)-3-hydroxy-2-methylpropoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid",C16H16N2O4S,332.374,1
Q27895250,92136333,"3-Hydroxyfebuxostat, (R)-","2-[3-cyano-4-[(2R)-3-hydroxy-2-methylpropoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid",C16H16N2O4S,332.374,1
Q27895257,9818975,"3-Hydroxyfebuxostat, (+/-)-","2-[3-cyano-4-(3-hydroxy-2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid",C16H16N2O4S,332.374,0
Q27895276,53384581,Dihydrogen borate;phenylmercury(1+);hydroxide,dihydrogen borate;phenylmercury(1+);hydroxide,C12H13BHg2O4,633.226,0
Q27895286,23519711,Tak-070,"N,N-dimethyl-2-[(2R)-6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;hydrate;hydrochloride",C27H34ClNO2,440.024,1
Q27895304,92797,Sophorose,"(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal",C12H22O11,342.297,9
Q27895339,24776050,KGWWHPZQLVVAPT-STTJLUEPSA-N,"(2R,3R)-2,3-dihydroxybutanedioic acid;6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine",C25H31N7O6,525.566,2
Q27895346,11963742,Jhu-75528 C-11,"4-cyano-1-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide",C23H21Cl2N5O2,469.354,0
Q27895360,9872389,MWIASLNTAGRGGA-ZJPWWDJASA-N,"(2S)-2-amino-N-[(1R,3S,4S)-7,7-dimethyl-4-[[4-(2-methylphenyl)piperazin-1-yl]sulfonylmethyl]-3-bicyclo[2.2.1]heptanyl]-4-methylsulfonylbutanamide",C26H42N4O5S2,554.765,4
Q27895399,76957289,"Draflazine, (R)-","(2R)-1-[2-(4-amino-2,6-dichloroanilino)-2-oxoethyl]-4-[5,5-bis(4-fluorophenyl)pentyl]piperazine-2-carboxamide",C30H33Cl2F2N5O2,604.524,1
Q27895405,9873580,"Draflazine, (S)-","(2S)-1-[2-(4-amino-2,6-dichloroanilino)-2-oxoethyl]-4-[5,5-bis(4-fluorophenyl)pentyl]piperazine-2-carboxamide",C30H33Cl2F2N5O2,604.524,1
Q27895410,7156,Acetoacetyl-2-chloroanilide,N-(2-chlorophenyl)-3-oxobutanamide,C10H10ClNO2,211.645,0
Q27895415,66738,5-Chloro-2-phenoxyaniline,5-chloro-2-phenoxyaniline,C12H10ClNO,219.668,0
Q27895419,16683107,Dibutyldimethoxytin,dibutyl(dimethoxy)stannane,C10H24O2Sn,295.01,0
Q27895417,71657455,Ivosidenib,"(2S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide",C28H22ClF3N6O3,582.968,2
Q27895420,66765,5-Amino-2-hydroxybenzimidazole,"5-amino-1,3-dihydrobenzimidazol-2-one",C7H7N3O,149.153,0
Q27895445,5282515,"Balofloxacin, (R)-",1-cyclopropyl-6-fluoro-8-methoxy-7-[(3R)-3-(methylamino)piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid,C20H24FN3O4,389.427,1
Q27895463,6857367,"Iduronic acid, L-","(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid",C6H10O7,194.139,4
Q27895469,31179,6-Methylhept-5-en-2-amine,6-methylhept-5-en-2-amine,C8H17N,127.231,0
Q27895487,121596661,Thebaine salicylate,"(4R,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline;2-hydroxybenzoic acid",C26H27NO6,449.503,3
Q27895485,11551689,Pitolisant hydrochloride,1-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine;hydrochloride,C17H27Cl2NO,332.309,0
Q27895495,121596394,Thebaine oxalate hexahydrate,"(4R,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline;oxalic acid;hexahydrate",C40H56N2O16,820.886,6
Q27895498,10048368,Ioflupane,"methyl (1S,3S,4S,5R)-8-(3-fluoropropyl)-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate",C18H23FINO2,431.29,4
Q27895496,71301327,Thebaine tartrate,"(4R,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline;(2R,3R)-2,3-dihydroxybutanedioic acid",C23H27NO9,461.467,5
Q27895506,6476031,beta-Escin,"(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid",C55H86O24,1131.269,27
Q27895516,49784084,2-(6-(1H-Indol-4-yl)-1H-indazol-4-yl)-5-((4-isopropylpiperazin-1-yl)methyl)oxazole hydrochloride,"2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride",C26H29ClN6O,477.009,0
Q27895530,154412,"Mianserin, (R)-",N/A,C18H20N2,264.372,1
Q27895528,76956972,"Crotetamide, (S)-","(2S)-2-[[(E)-but-2-enoyl]-ethylamino]-N,N-dimethylbutanamide",C12H22N2O2,226.32,1
Q27895533,9834298,"Dihydrothioctic acid, (R)-","(6R)-6,8-bis(sulfanyl)octanoic acid",C8H16O2S2,208.334,1
Q27895552,132110,5-(1-Naphthalen-1-ylethyl)-1H-imidazole hydrochloride,5-(1-naphthalen-1-ylethyl)-1H-imidazole;hydrochloride,C15H15ClN2,258.749,0
Q27895566,76957445,"Nafagrel, (S)-","(6S)-6-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid",C15H16N2O2,256.305,1
Q27895567,76957444,"Nafagrel, (R)-","(6R)-6-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid",C15H16N2O2,256.305,1
Q27895574,157702,"Nitrendipine, (S)-","5-O-ethyl 3-O-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate",C18H20N2O6,360.366,1
Q27895572,69245534,1-Phenyl-2-(pyrrolidin-1-yl)heptan-1-one,1-phenyl-2-pyrrolidin-1-ylheptan-1-one,C17H25NO,259.393,0
Q27895577,157704,"Nitrendipine, (R)-","5-O-ethyl 3-O-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate",C18H20N2O6,360.366,1
Q27895580,25181472,YRCHYHRCBXNYNU-UHFFFAOYSA-N,"N-[[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]pyridin-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamothioyl]-2-(4-fluorophenyl)acetamide",C31H27F2N5O3S2,619.706,0
Q27895586,122129921,n-Propyl bk-bdb hydrochloride,"1-(1,3-benzodioxol-5-yl)-2-(propylamino)butan-1-one;hydrochloride",C14H20ClNO3,285.768,0
Q27895585,122129922,n-Propyl bk-bdb,"1-(1,3-benzodioxol-5-yl)-2-(propylamino)butan-1-one",C14H19NO3,249.31,0
Q27895591,10544447,Bromo-dragonfly,"(2R)-1-(4-bromofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine",C13H12BrNO2,294.148,1
Q27895598,101323793,"3,6-Dimethyl-2-naphthalenesulfonic acid","3,6-dimethylnaphthalene-2-sulfonic acid",C12H12O3S,236.285,0
Q27895607,12986427,JKOQCODHROGXSA-UHFFFAOYSA-N,"N-[[3-chloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl]-2,6-difluorobenzamide",C17H9ClF8N2O3,476.707,0
Q27895611,128059,"2,4-Dimethoxy-N,N-dimethyl-5-iodophenylisopropylamine","1-(5-iodanyl-2,4-dimethoxyphenyl)-N,N-dimethylpropan-2-amine",C13H20INO2,344.216,0
Q27895614,71752195,Sildenafil dimer,"5-[2-ethoxy-5-[4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonylpiperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one",C38H46N10O8S2,834.968,0
Q27895620,102554,N-Benzylamphetamine,N-benzyl-1-phenylpropan-2-amine,C16H19N,225.335,0
Q27895634,31004,1-(4-Chlorophenyl)-2-(ethylamino)propan-1-one,1-(4-chlorophenyl)-2-(ethylamino)propan-1-one,C11H14ClNO,211.689,0
Q27895632,23582365,Dpa-714 F-18,"N,N-diethyl-2-[2-[4-(2-fluoranylethoxy)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide",C22H27FN4O2,397.485,0
Q27895637,56637813,Emtricitabine carboxylic acid,"(2R,5S)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-1,3-oxathiolane-2-carboxylic acid",C8H8FN3O4S,261.227,2
Q27895643,44147559,Manganese isodecanoate,manganese(2+);8-methylnonanoate,C20H38MnO4,397.458,0
Q27895640,608228,Lambertellin,"9-hydroxy-3-methylbenzo[g]chromene-2,5,10-trione",C14H8O5,256.213,0
Q27895649,76956176,"Razinodil, (R)-","[(2R)-1-morpholin-4-yl-3-(6,7,8-trimethoxy-4-oxo-1,2,3-benzotriazin-3-yl)propan-2-yl] 3,4,5-trimethoxybenzoate",C27H34N4O10,574.587,1
Q27895654,9955789,"1-((N-Methyl-2-piperidinyl)methyl)-3-(2-iodobenzoyl)-1H-indole, (S)-",(2-iodophenyl)-[1-[[(2R)-1-methylpiperidin-2-yl]methyl]indol-3-yl]methanone,C22H23IN2O,458.343,1
Q27895653,87949193,Cetrorelix acetate,Ac-D-2Nal-D-Phe(4-Cl)-D-3Pal-Ser-Tyr-D-Cit-Leu-Arg-Pro-D-Ala-NH2.2CH3CO2H,C74H100ClN17O18,1551.165,10
Q27895666,10507805,Salmoxanthin,"(1R,4S)-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,3S,6S)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,6,6-trimethylcyclohex-2-ene-1,4-diol",C40H56O4,600.884,5
Q27895674,121490096,"Sulpiride hydrochloride, (S)-",N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-sulfamoylbenzamide;hydrochloride,C15H24ClN3O4S,377.884,1
Q27895673,11608975,"Teniloxazine, (S)-",(2S)-2-[[2-(thiophen-2-ylmethyl)phenoxy]methyl]morpholine,C16H19NO2S,289.393,1
Q27895679,121596457,Cyclazocine methyl ether,N/A,C19H27NO,285.431,3
Q27895677,68900350,"Teniloxazine, (R)-",(2R)-2-[[2-(thiophen-2-ylmethyl)phenoxy]methyl]morpholine,C16H19NO2S,289.393,1
Q27895689,277929,"4-Amino-3,5-dinitrobenzoic acid",N/A,C7H5N3O6,227.132,0
Q27895728,19965145,2-(3-Formyl-4-(2-methylpropoxy)phenyl)-4-methyl-5-thiazolecarboxylic acid,"2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid",C16H17NO4S,319.375,0
Q27895750,470,"2,4-Diaminobutyric acid",H-DL-Dab-OH,C4H10N2O2,118.136,0
Q27895757,443400,"Dichloroisoproterenol, (R)-","(1R)-1-(3,4-dichlorophenyl)-2-(propan-2-ylamino)ethanol",C11H15Cl2NO,248.147,1
Q27895770,56927879,Histrelin acetate,H-Pyr-His-Trp-Ser-Tyr-D-His(1-Bn)-Leu-Arg-Pro-NHEt.2CH3CO2H,C70H94N18O16,1443.632,9
Q27895774,9827529,Metaflumizone,1-[(Z)-[2-(4-cyanophenyl)-1-[3-(trifluoromethyl)phenyl]ethylidene]amino]-3-[4-(trifluoromethoxy)phenyl]urea,C24H16F6N4O2,506.408,0
Q27895793,442118,Tetrahydroharmine,"(1R)-7-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole",C13H16N2O,216.284,1
Q27895797,171491,"Indacrinone, (R)-","2-[[(2R)-6,7-dichloro-2-methyl-1-oxo-2-phenyl-3H-inden-5-yl]oxy]acetic acid",C18H14Cl2O4,365.206,1
Q27895806,152459,2-Ethylhexanedioic acid,2-ethylhexanedioic acid,C8H14O4,174.196,0
Q27895804,11554979,OT-730,"[(2S)-2-(1-methylcyclopropanecarbonyl)oxy-3-[[2-methyl-1-(oxolane-3-carbonylamino)propan-2-yl]amino]propyl] 4,5-dihydroxy-2-methylbenzoate",C25H36N2O8,492.569,1
Q27895808,5338538,3-Benzyl-4-methylumbelliferone,3-benzyl-7-hydroxy-4-methylchromen-2-one,C17H14O3,266.296,0
Q27895809,12423604,"Indacrinone, (S)-","2-[[(2S)-6,7-dichloro-2-methyl-1-oxo-2-phenyl-3H-inden-5-yl]oxy]acetic acid",C18H14Cl2O4,365.206,1
Q27895812,1715138,"3,4,5-Trimethoxycinnamic acid, (Z)-","(Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid",C12H14O5,238.239,0
Q27895813,6321266,"Gusperimus, (R)-",N-[(1R)-2-[4-(3-aminopropylamino)butylamino]-1-hydroxy-2-oxoethyl]-7-(diaminomethylideneamino)heptanamide,C17H37N7O3,387.529,1
Q27895816,24838593,Deoxyspergualin,N-[2-[4-(3-aminopropylamino)butylamino]-1-hydroxy-2-oxoethyl]-7-(diaminomethylideneamino)heptanamide;hydrochloride,C17H38ClN7O3,423.987,0
Q27895830,82620,Tetramethylammonium hydroxide pentahydrate,tetramethylazanium;hydroxide;pentahydrate,C4H23NO6,181.229,0
Q27895831,71295921,Disodium 3'-uridinemonophosphate,"disodium;[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] phosphate",C9H11N2Na2O9P,368.145,4
Q27895828,88891625,"6,13-Dichloro-3,10-bis((4-((4,6-dichloro-1,3,5-triazin-2-YL)amino)-3-sulfophenyl)amino)-4,11-triphenodioxazinedisulfonic acid","6,13-dichloro-3,10-bis[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-sulfoanilino]-[1,4]benzoxazino[2,3-b]phenoxazine-4,11-disulfonic acid",C36H18Cl6N12O14S4,1183.55,0
Q27895834,23710246,Monosodium 3'-uridinemonophosphate,"sodium;[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate",C9H12N2NaO9P,346.164,4
Q27895833,121596582,Disodium 3'-uridinemonophosphate tetrahydrate,"disodium;[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] phosphate;tetrahydrate",C9H19N2Na2O13P,440.205,4
Q27895838,9804743,SM-130686 Free base,(3S)-3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-2-oxo-4-(trifluoromethyl)indole-6-carboxamide,C22H23ClF3N3O3,469.889,1
Q27895836,3035205,JM-40,"ethane-1,2-diamine;platinum(2+);propanedioate",C5H10N2O4Pt,357.229,0
Q27895843,5360460,Phoxim,(E)-N-diethoxyphosphinothioyloxybenzenecarboximidoyl cyanide,C12H15N2O3PS,298.297,0
Q27895847,91669166,Thioguanine,"2-amino-3,7-dihydropurine-6-thione;hydrate",C10H12N10OS2,352.395,0
Q27895845,76235,"ZINC O,O-diisopropyl dithiophosphate",zinc;di(propan-2-yloxy)-sulfanylidene-sulfido-$l^{5}-phosphane,C12H28O4P2S4Zn,491.92,0
Q27895851,5480431,Roxithromycin,"(3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one",C41H76N2O15,837.058,18
Q27895854,2802859,"1,2,3,4-Tetrachloro-5-iodobenzene","1,2,3,4-tetrachloro-5-iodobenzene",C6HCl4I,341.778,0
Q27895855,10713663,"FR-140423, (S)-",3-(difluoromethyl)-1-(4-methoxyphenyl)-5-[4-[(S)-methylsulfinyl]phenyl]pyrazole,C18H16F2N2O2S,362.395,1
Q27895858,27277,BAY-1433 free base,3-(diethylamino)propyl 2-hydroxy-3-methyl-2-phenylbutanoate,C18H29NO3,307.434,0
Q27895859,25195461,"2(1H)-Pyridinone, 1-butyl-3-chloro-4-(4-phenyl-1-piperidinyl)-",1-butyl-3-chloro-4-(4-phenylpiperidin-1-yl)pyridin-2-one,C20H25ClN2O,344.883,0
Q27895856,89051543,DS-3032 Tosylate,N/A,C37H42Cl2FN5O7S,790.729,5
Q27895862,7058074,"1-Aminotetralin, (S)-","(1S)-1,2,3,4-tetrahydronaphthalen-1-amine",C10H13N,147.221,1
Q27895860,11708083,"2-(2-Methylprop-1-enyl)4-methylenetetrahydropyran, (R)-",(2R)-4-methylidene-2-(2-methylprop-1-enyl)oxane,C10H16O,152.237,1
Q27895864,539925,"1,3-Diaceto-2-stearin","1,3-diacetyloxypropan-2-yl octadecanoate",C25H46O6,442.637,0
Q27895865,5311455,"4-Carboxy-3-hydroxyphenylglycine, (S)-",4-[(S)-amino(carboxy)methyl]-2-hydroxybenzoic acid,C9H9NO5,211.173,1
Q27895871,23676694,Potassium iodide I-131,potassium;iodine-131(1-),IK,170.004,0
Q27895869,431079,Phenylsulfamic acid,phenylsulfamic acid,C6H7NO3S,173.186,0
Q27895875,121596640,BLFKRFGLQFYXDF-WAZRELCSSA-N,N/A,C42H56N6O9S,821.003,7
Q27895872,19741866,"Tris(2,5-DI-tert-butylphenyl) phosphate","tris(2,5-ditert-butylphenyl) phosphate",C42H63O4P,662.936,0
Q27895873,121596688,Sor-C13,H-Lys-Glu-Phe-Leu-His-Pro-Ser-Lys-Val-Asp-Leu-Pro-Arg-OH,C72H116N20O19,1565.841,13
Q27895879,50923165,F-Arag F-18,aGuo,C10H12FN5O4,284.238,4
Q27895882,4693340,"2,4,5-Triiodobenzoic acid","2,4,5-triiodobenzoic acid",C7H3I3O2,499.812,0
Q27895883,10522652,"FR-140423, (R)-",3-(difluoromethyl)-1-(4-methoxyphenyl)-5-[4-[(R)-methylsulfinyl]phenyl]pyrazole,C18H16F2N2O2S,362.395,1
Q27895880,13635984,"4,6-Bis(alpha-methylbenzyl)-M-cresol","5-methyl-2,4-bis(1-phenylethyl)phenol",C23H24O,316.444,0
Q27895886,87250658,"1,4-Butanediol dioleate",4-[(Z)-octadec-9-enoyl]oxybutyl (Z)-octadec-9-enoate,C40H74O4,619.028,0
Q27895887,24749700,2-(3-Pentylphenyl)acetic acid,2-(3-pentylphenyl)acetic acid,C13H18O2,206.285,0
Q27895884,121596517,Elatipepimut-S,H-Cys(1)-Arg-Met-Phe-Pro-Asn-Ala-Pro-Tyr-Leu-OH.H-Cys(1)-Tyr-Thr-Trp-Asn-Gln-Met-Asn-Leu-OH,C106H153N27O28S4,2381.791,20
Q27895890,121596646,Obicetrapib potassium,"potassium;4-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2R,4S)-1-ethoxycarbonyl-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyrimidin-5-yl]oxybutanoate",C32H30F9KN4O5,760.699,2
Q27895891,9950099,"Acc-9369, (S)-",ethyl 3-[2-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoate,C17H27NO4,309.406,1
Q27895889,121596687,Obicetrapib sodium,"sodium;4-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2R,4S)-1-ethoxycarbonyl-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyrimidin-5-yl]oxybutanoate",C32H30F9N4NaO5,744.59,2
Q27895894,45101433,3-((4-Methylpiperazin-1-yl)carbonyl)-7-oxabicyclo(2.2.1)heptane-2-carboxylic acid,"(1S,4R)-2-(4-methylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid",C13H20N2O4,268.313,2
Q27895895,87100362,"1,3-Dipropiono-2-stearin","1,3-di(propanoyloxy)propan-2-yl octadecanoate",C27H50O6,470.691,0
Q27895893,121596476,"1,2-Dioleoyl-3-tetradecyl-SN-glycerol",[(2S)-2-[(Z)-octadec-9-enoyl]oxy-3-tetradecoxypropyl] (Z)-octadec-9-enoate,C53H100O5,817.378,1
Q27895896,121596364,Methyl N-(2-(hydroxymethyl)-6-methylphenyl)-N-(methoxyacetyl)-D-alanine,methyl (2R)-2-[2-(hydroxymethyl)-N-(2-methoxyacetyl)-6-methylanilino]propanoate,C15H21NO5,295.335,1
Q27895904,15527165,Fosaprepitant dimeglumine,"[5-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-3-oxo-1H-1,2,4-triazol-2-yl]phosphonic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol",C37H56F7N6O16P,1004.844,11
Q27895910,52949763,"Brompheniramine maleate, (R)-","(3R)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;(Z)-but-2-enedioic acid",C20H23BrN2O4,435.318,1
Q27895912,20055408,Alitame,"(3S)-3-amino-4-oxo-4-[[(2R)-1-oxo-1-[(2,2,4,4-tetramethylthietan-3-yl)amino]propan-2-yl]amino]butanoic acid;pentahydrate",C28H60N6O13S2,752.937,4
Q27895916,73777259,Onc-201,N/A,C24H26N4O,386.499,0
Q27895923,11040761,"Pseudocarene, (+)-","(1R,6S)-7,7-dimethyl-4-methylidenebicyclo[4.1.0]heptane",C10H16,136.238,2
Q27895926,121596545,"2-Methoxy-4,5-methylenedioxymethamphetamine hydrochloride","1-(6-methoxy-1,3-benzodioxol-5-yl)-N-methylpropan-2-amine;hydrochloride",C12H18ClNO3,259.73,0
Q27895924,13208100,Tetrasodium guanosine triphosphate,"tetrasodium;[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate",C10H12N5Na4O14P3,611.107,4
Q27895930,22803064,Disodium cytidine 5'-diphosphate,"disodium;[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate",C9H13N3Na2O11P2,447.14,4
Q27895931,91435,Lactate,2-hydroxypropanoate,C3H5O3-,89.07,0
Q27895928,13815946,Lupersol 553,2-methyl-2-[2-(2-methylbutan-2-ylperoxy)propan-2-ylperoxy]butane,C13H28O4,248.363,0
Q27895933,23519589,Trisodium Cytidine 5'-Diphosphate Hydrate,"trisodium;[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate",C9H12N3Na3O11P2,469.122,4
Q27895938,5748159,Indigotine P free acid,"(2E)-3-oxo-2-(3-oxo-5,7-disulfo-1H-indol-2-ylidene)-1H-indole-5,7-disulfonic acid",C16H10N2O14S4,582.496,0
Q27895936,353794,6-Methylsaccharin,"6-methyl-1,1-dioxo-1,2-benzothiazol-3-one",C8H7NO3S,197.208,0
Q27895940,49763030,"(4Ar,5aR)-4,4a,5,5a-Tetrahydro-1H-cyclopropa(4,5)cyclopenta(1,2-C)pyrazole-3-carboxylic acid",N/A,C8H8N2O2,164.164,2
Q27895944,23730084,Vsn-16R,3-[(Z)-6-(dimethylamino)-6-oxohex-1-enyl]-N-[(2R)-1-hydroxypropan-2-yl]benzamide,C18H26N2O3,318.417,1
Q27895956,56935577,Tafetinib,"(7Z)-N-[2-(diethylamino)ethyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide",C24H29FN4O2,424.52,0
Q27895957,6421261,Icosapent methyl,"methyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate",C21H32O2,316.485,0
Q27895966,62499,Acid blue 7 free acid,"benzyl-[4-[[4-[benzyl(ethyl)amino]phenyl]-(2,4-disulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-ethylazanium",C37H37N2O6S2+,669.831,0
Q27895967,46861584,YTEVTHHGQMUPHC-UHFFFAOYSA-N,N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide,C24H25ClN4O5S2,549.057,0
Q27895968,11601120,5-Chlorothiabendazole,"4-(6-chloro-1H-benzimidazol-2-yl)-1,3-thiazole",C10H6ClN3S,235.689,0
Q27895974,10051544,Vitamin A myristate,"[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] tetradecanoate",C34H56O2,496.82,0
Q27895975,641006,"2-Methylbutylamine, (R)-",(2R)-2-methylbutan-1-amine,C5H13N,87.166,1
Q27895979,6432255,"1,3-Cyclohexanedicarboxylic acid, cis-","(1S,3R)-cyclohexane-1,3-dicarboxylic acid",C8H12O4,172.18,2
Q27895983,12890857,"(1R,3R)-Cyclohexane-1,3-dicarboxylic acid","(1R,3R)-cyclohexane-1,3-dicarboxylic acid",C8H12O4,172.18,2
Q27895980,21910464,"2-Ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol, (Z)-","(Z)-2-ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol",C14H24O,208.345,0
Q27895986,19973757,"N,N'-Pentamethylenebis-2-propenamide",N-[5-(prop-2-enoylamino)pentyl]prop-2-enamide,C11H18N2O2,210.277,0
Q27895987,121494077,Benzylpenicilloic acid,"(4S)-2-[(R)-carboxy-[(2-phenylacetyl)amino]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid",C16H20N2O5S,352.405,2
Q27895991,121513871,Way-181187 oxalate,"2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]ethanamine;oxalic acid",C17H15ClN4O6S2,470.899,0
Q27895994,101563230,Saphenamycin,6-[(1R)-1-(2-hydroxy-6-methylbenzoyl)oxyethyl]phenazine-1-carboxylic acid,C23H18N2O5,402.406,1
Q27895995,10445294,Calcium disodium pyrophosphate,calcium;disodium;phosphonato phosphate,CaNa2O7P2,259.998,0
Q27895992,11062489,"Bornylene, (-)-","(1R,4S)-4,7,7-trimethylbicyclo[2.2.1]hept-2-ene",C10H16,136.238,2
Q27895996,23711573,"Y-20811, (R)-","sodium;4-[(R)-hydroxy-(5-imidazol-1-yl-2-methylphenyl)methyl]-3,5-dimethylbenzoate",C20H19N2NaO3,358.373,1
Q27896001,58974612,Ils-920,N/A,C57H86N2O14,1023.315,17
Q27896004,11480243,WT-1 A1,H-Tyr-Met-Phe-Pro-Asn-Ala-Pro-Tyr-Leu-OH,C55H74N10O13S,1115.314,9
Q27896010,5280847,P-Coumaryl alcohol 4-glucoside,"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]phenoxy]oxane-3,4,5-triol",C15H20O7,312.318,5
Q27896009,12641150,"P-Coumaryl alcohol, (Z)-",4-[(Z)-3-hydroxyprop-1-enyl]phenol,C9H10O2,150.177,0
Q27896015,5373437,Diisobutyl fumarate,bis(2-methylpropyl) (E)-but-2-enedioate,C12H20O4,228.288,0
Q27896013,42611263,GW-597901 Cinnamate,3-[4-[6-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]hexoxy]butyl]benzenesulfonamide;(E)-3-phenylprop-2-enoic acid,C34H46N2O8S,642.808,1
Q27896019,56960363,Ensartinib,"6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]phenyl]pyridazine-3-carboxamide",C26H27Cl2FN6O3,561.439,3
Q27896017,62699,Ethylene glycol monolaurate,2-hydroxyethyl dodecanoate,C14H28O3,244.375,0
Q27896023,11626128,Ioflupane F-18,"methyl (1S,3S,4S,5R)-8-(3-fluoranylpropyl)-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate",C18H23FINO2,430.292,4
Q27896020,522033,Cetyl butyrate,hexadecyl butanoate,C20H40O2,312.538,0
Q27896026,5282591,M-Hydroxyephedrine,"3-[(1R,2S)-1-hydroxy-2-(methylamino)propyl]phenol",C10H15NO2,181.235,2
Q27896027,40924317,"(2S)-N-(3,5-Dimethylphenyl)-1-[(4-methoxyphenyl)sulfonyl]-2-pyrrolidinecarboxamide","(2S)-N-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide",C20H24N2O4S,388.482,1
Q27896025,5324511,"2,5-Dimethylpyrrolidine, cis-","(2R,5S)-2,5-dimethylpyrrolidine",C6H13N,99.177,2
Q27896030,59275404,LZAUGCMVNLZVJV-UHFFFAOYSA-N,4-fluoro-2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide,C31H24F2N4O3,538.555,0
Q27896031,11205741,2-Vinyl-4-picoline,2-ethenyl-4-methylpyridine,C8H9N,119.167,0
Q27896034,6337684,"Dihydroalprenolol, (R)-",(2R)-1-(propan-2-ylamino)-3-(2-propylphenoxy)propan-2-ol,C15H25NO2,251.37,1
Q27896035,182374,"Dihydroalprenolol, (S)-",(2S)-1-(propan-2-ylamino)-3-(2-propylphenoxy)propan-2-ol,C15H25NO2,251.37,1
Q27896033,52913198,UBLOHCIYTDRGJH-UHFFFAOYSA-N,"6-[2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-5-yl]-N,N-bis(2-methoxyethyl)hex-5-ynamide",C39H39ClN8O5,735.242,0
Q27896039,16109663,Slv-317,"[3,5-bis(trifluoromethyl)phenyl]-[(2R)-2-(1H-indol-3-ylmethyl)-4-[[5-(morpholin-4-ylmethyl)-2H-triazol-4-yl]methyl]piperazin-1-yl]methanone;dihydrochloride",C30H33Cl2F6N7O2,708.531,1
Q27896042,688862,"3'-Hydroxyflavanone, (R)-","(2R)-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one",C15H12O3,240.258,1
Q27896043,18602881,"Rocastine hydrochloride anhydrous, (R)-","(2R)-2-[2-(dimethylamino)ethyl]-4-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepine-5-thione;hydrochloride",C13H20ClN3OS,301.833,1
Q27896040,122129924,Indacrinone potassium,"potassium;2-[(6,7-dichloro-2-methyl-1-oxo-2-phenyl-3H-inden-5-yl)oxy]acetate",C18H13Cl2KO4,403.296,0
Q27896046,11147701,4-Vinyl-2-picoline,4-ethenyl-2-methylpyridine,C8H9N,119.167,0
Q27896047,76969081,"Rocastine hydrochloride anhydrous, (S)-","(2S)-2-[2-(dimethylamino)ethyl]-4-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepine-5-thione;hydrochloride",C13H20ClN3OS,301.833,1
Q27896051,123691,3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid,"(4S,5R,6R,7R,8R)-4,5,6,7,8,9-hexahydroxy-2-oxononanoic acid",C9H16O9,268.218,5
Q27896049,26325,"Selenocystine, meso-",H-D-Sec(1)-OH.H-Sec(1)-OH,C6H12N2O4Se2,334.114,2
Q27896052,10796900,"(3,4-Epoxybutyl)benzene, (R)-",(2R)-2-(2-phenylethyl)oxirane,C10H12O,148.205,1
Q27896058,44633765,"5-(5-Chloro-3-pyridyl)-N-((5,6-dimethoxy-2-pyridyl)methyl)-2-(2-pyridyl)pyridine-3-carboxamide","5-(5-chloropyridin-3-yl)-N-[(5,6-dimethoxypyridin-2-yl)methyl]-2-pyridin-2-ylpyridine-3-carboxamide",C24H20ClN5O3,461.906,0
Q27896056,68677842,5-Chloro-1-((6-benzothiazolyl)sulfonyl)-1H-indole-2-butanoic acid,"4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloroindol-2-yl]butanoic acid",C19H15ClN2O4S2,434.909,0
Q27896057,46240797,FYRJJCYFYLLOSC-LXFBAYGMSA-N,"3-[[4-[(1R,2S)-1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]benzoyl]amino]propanoic acid",C30H30ClFN2O3,521.029,2
Q27896060,12003885,"(3,4-Epoxybutyl)benzene, (S)-",(2S)-2-(2-phenylethyl)oxirane,C10H12O,148.205,1
Q27896066,5281878,Flupentixol,2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol,C23H25F3N2OS,434.521,0
Q27896067,185900,2-Ethyl-5-oxohexanoic acid,2-ethyl-5-oxohexanoic acid,C8H14O3,158.197,0
Q27896064,7016246,"1-Methyl-3-phenylpiperazine, (R)-",(3R)-1-methyl-3-phenylpiperazine,C11H16N2,176.263,1
Q27896065,12429370,"4-Styrylpyridine hydrochloride, (Z)-",4-[(Z)-2-phenylethenyl]pyridine;hydrochloride,C13H12ClN,217.696,0
Q27896070,86735780,Indacrinone sodium,"sodium;2-[(6,7-dichloro-2-methyl-1-oxo-2-phenyl-3H-inden-5-yl)oxy]acetate",C18H13Cl2NaO4,387.188,0
Q27896069,14009096,Dimethyldipentadecylammonium chloride,dimethyl-di(pentadecyl)azanium;chloride,C32H68ClN,502.353,0
Q27896075,123424,2-Ethyl-1-pentanol,2-ethylpentan-1-ol,C7H16O,116.204,0
Q27896073,122129925,Indacrinone calcium,"calcium;2-[(6,7-dichloro-2-methyl-1-oxo-2-phenyl-3H-inden-5-yl)oxy]acetate",C36H26CaCl4O8,768.474,0
Q27896078,12850700,"2-Chloro-N-(2,2-dimethoxyethyl)-N-methylacetamide","2-chloro-N-(2,2-dimethoxyethyl)-N-methylacetamide",C7H14ClNO3,195.643,0
Q27896079,72736580,Velagliflozin proline,"2-[(4-cyclopropylphenyl)methyl]-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzonitrile;(2S)-pyrrolidine-2-carboxylic acid",C28H34N2O7,510.587,6
Q27896086,101402356,"beta-Thujene, (-)-","(1S,4R,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-2-ene",C10H16,136.238,3
Q27896085,117902620,OBKBVSFXEIFOMS-YVABUZGXSA-N,"3-[(3R,3aR,5aS,6R,7E,9aS,9bS)-7-hydroxyimino-3a,6-dimethyl-3-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-6-yl]propan-1-ol",C26H47NO2,405.667,7
Q27896091,72710874,KH-176 Hydrochloride,"(2S)-6-hydroxy-2,5,7,8-tetramethyl-N-[(3R)-piperidin-3-yl]-3,4-dihydrochromene-2-carboxamide;hydrochloride",C19H29ClN2O3,368.902,2
Q27896089,51030730,"3-Pyridinesulfonamide, 5-(5-phenyl-4-((2-pyridinylmethyl)amino)-2-quinazolinyl)-",5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyridine-3-sulfonamide,C25H20N6O2S,468.535,0
Q27896094,148022,"trans-1,2,3,4-Diepoxycyclohexane",N/A,C6H8O2,112.128,4
Q27896095,12631744,"1,2,3,4-Diepoxycyclohexane, cis-",N/A,C6H8O2,112.128,4
Q27896093,21677484,Nebramycin factor 12,"(2S,3R,4S,5S,6R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol",C18H36N4O10,468.504,14
Q27896099,5702577,4'-Fluorochalcone,(E)-1-(4-fluorophenyl)-3-phenylprop-2-en-1-one,C15H11FO,226.25,0
Q27896103,70237190,"2,4-DI-Tert-pentylphenyl dihydrogen phosphate","[2,4-bis(2-methylbutan-2-yl)phenyl] dihydrogen phosphate",C16H27O4P,314.362,0
Q27896106,6508541,Piperazine fumarate,(E)-but-2-enedioic acid;piperazine,C8H14N2O4,202.21,0
Q27896107,263079,2-(Dipentylamino)ethanol,2-(dipentylamino)ethanol,C12H27NO,201.354,0
Q27896104,11435193,4-Amino-2-chlorobenzamide,4-amino-2-chlorobenzamide,C7H7ClN2O,170.596,0
Q27896105,121596419,"3,3-Dimethyl-butanoyl-L-carnitine","(3R)-3-(3,3-dimethylbutanoyloxy)-4-(trimethylazaniumyl)butanoate",C13H25NO4,259.346,1
Q27896110,225571,"3,3,6,6-Tetramethyl-2,5-piperazinedione","3,3,6,6-tetramethylpiperazine-2,5-dione",C8H14N2O2,170.212,0
Q27896111,6994099,"(2S,5S)-2,5-Dimethylpyrrolidine","(2S,5S)-2,5-dimethylpyrrolidine",C6H13N,99.177,2
Q27896115,21889406,2-Chloroethyl 3-amino-4-methylbenzoate,2-chloroethyl 3-amino-4-methylbenzoate,C10H12ClNO2,213.661,0
Q27896112,101987,N-(Carbobenzyloxy)-L-proline,(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid,C13H15NO4,249.266,1
Q27896113,78323434,IBHOLSBDZMIPPT-UHFFFAOYSA-N,5-[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]pyridin-4-yl]oxy-6-(2-methoxyethoxy)-N-methylindole-1-carboxamide,C32H37N5O6,587.677,0
Q27896118,49857984,Eletriptan mesylate,5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;methanesulfonic acid,C23H30N2O5S2,478.622,1
Q27896116,71816315,Pss-232 F-18,(E)-N-[3-(2-fluoranylethoxy)propoxy]-3-(2-pyridin-2-ylethynyl)cyclohex-2-en-1-imine,C18H21FN2O2,315.379,0
Q27896117,49846599,8-Chloro-N-(4-(trifluoromethoxy)phenyl)quinolin-2-amine,8-chloro-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine,C16H10ClF3N2O,338.714,0
Q27896122,73306,"Cispentacin, (+)-","(1S,2R)-2-aminocyclopentane-1-carboxylic acid",C6H11NO2,129.159,2
Q27896123,72710875,KH-176,"(2S)-6-hydroxy-2,5,7,8-tetramethyl-N-[(3R)-piperidin-3-yl]-3,4-dihydrochromene-2-carboxamide",C19H28N2O3,332.444,2
Q27896120,11266523,Cardanol triene,"3-[(8Z,11Z)-pentadeca-8,11,14-trienyl]phenol",C21H30O,298.47,0
Q27896126,54726398,2-O-Methylascorbic acid,"(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-methoxy-2H-furan-5-one",C7H10O6,190.151,2
Q27896127,91885568,Olorofim,"2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]phenyl]-2-oxoacetamide",C28H27FN6O2,498.562,0
Q27896124,11098630,Cardanol diene,"3-[(8Z,11Z)-pentadeca-8,11-dienyl]phenol",C21H32O,300.486,0
Q27896130,5282251,"4,4'-Dinitro-2,2'-stilbenesulfonic acid",N/A,C14H10N2O10S2,430.358,0
Q27896131,3035992,3-Azidoamsacrine,N-[4-[(3-azidoacridin-9-yl)amino]-3-methoxyphenyl]methanesulfonamide,C21H18N6O3S,434.474,0
Q27896134,21677480,Nebramycin IV,"[(2R,3S,4S,5R,6S)-4-amino-6-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,5-dihydroxyoxan-2-yl]methyl carbamate",C19H38N6O11,526.544,15
Q27896135,9891927,GBTODAKMABNGIJ-VWLOTQADSA-N,3-[4-[6-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]hexoxy]butyl]benzenesulfonamide,C25H38N2O6S,494.647,1
Q27896132,9832589,Eletriptan hemisulfate,5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;sulfuric acid,C44H54N4O8S3,863.116,2
Q27896133,121596508,NERWTCJDWFQHHC-UHFFFAOYSA-M,"2-[4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]-N-ethylanilino]ethyl benzoate;methyl sulfate",C22H28N6O6S,504.562,0
Q27896138,56843556,"alpha-Cyano-9,10-didehydro-6-methyl-ergoline-8-propanamide, (8beta)-","3-[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-yl]-2-cyanopropanamide",C19H20N4O,320.396,2
Q27896139,3081382,"L-Serine, 2,3-bis((1-oxohexadecyl)oxy)propyl hydrogen phosphate (ester)","(2S)-2-amino-3-[2,3-di(hexadecanoyloxy)propoxy-hydroxyphosphoryl]oxypropanoic acid",C38H74NO10P,735.981,1
Q27896137,101428704,Ergocristam,"(6aR,9R)-N-[(2S)-1-[(3S,8aR)-3-benzyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-3-methyl-1-oxobutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide",C35H39N5O4,593.728,5
Q27896140,14701631,"beta-Ocimene epoxide, (Z)-","2,2-dimethyl-3-[(2Z)-3-methylpenta-2,4-dienyl]oxirane",C10H16O,152.237,0
Q27896141,76961374,"Ciamexon, (R)-",(2R)-1-[(2-methoxy-6-methylpyridin-3-yl)methyl]aziridine-2-carbonitrile,C11H13N3O,203.245,1
Q27896146,23665409,Phenylbutyrate sodium,sodium;2-phenylbutanoate,C10H11NaO2,186.186,0
Q27896147,14521099,Pabularinone,"9-(3-methyl-2-oxobutoxy)furo[3,2-g]chromen-7-one",C16H14O5,286.283,0
Q27896151,11272917,Kazusamycin A,"(2E,5S,6R,7S,9S,10E,12E,15R,16Z,18E)-17-ethyl-6-hydroxy-9-(hydroxymethyl)-3,5,7,11,15-pentamethyl-19-[(2S,3S)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]-8-oxononadeca-2,10,12,16,18-pentaenoic acid",C33H48O7,556.74,7
Q27896154,11589275,"Y-20811 Free acid, (R)-","4-[(R)-hydroxy-(5-imidazol-1-yl-2-methylphenyl)methyl]-3,5-dimethylbenzoic acid",C20H20N2O3,336.391,1
Q27896153,121596552,3-Acetamido-4-hydroxy-1-naphthalenesulfonic acid,3-acetamido-4-hydroxynaphthalene-1-sulfonic acid,C12H11NO5S,281.282,0
Q27896159,9794342,6-(2-Aminopropyl)benzofuran Hydrochloride,1-(1-benzofuran-6-yl)propan-2-amine;hydrochloride,C11H14ClNO,211.689,0
Q27896156,149593,"Methyl 2-chloropropanoate, (R)-",methyl (2R)-2-chloropropanoate,C4H7ClO2,122.548,1
Q27896157,11447459,4-Tert-butyldiphenylamine,4-tert-butyl-N-phenylaniline,C16H19N,225.335,0
Q27896162,121492596,"Y-20811, (S)-","sodium;4-[(S)-hydroxy-(5-imidazol-1-yl-2-methylphenyl)methyl]-3,5-dimethylbenzoate",C20H19N2NaO3,358.373,1
Q27896160,3082219,20-Hydroperoxycholest-5-EN-3beta-OL,"(3S,8S,9S,10R,13S,14S,17S)-17-[(2S)-2-hydroperoxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol",C27H46O3,418.662,8
Q27896161,49836057,ZXSGSFMORAILEY-HNNXBMFYSA-N,"(6S)-2-nitro-6-[[6-[4-(trifluoromethoxy)phenyl]pyridin-3-yl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine",C19H15F3N4O5,436.347,1
Q27896165,121596494,SJLSAERUORZACY-UHFFFAOYSA-N,hexaaluminum;dipotassium;disodium;dioxosilane;oxygen(2-);pentahydrate,Al6H10K2Na2O76Si30,2354.619,0
Q27896170,73297272,Milademetan,N/A,C30H34Cl2FN5O4,618.531,5
Q27896171,6506406,"Flupentixol dihydrochloride, (E)-",2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol;dihydrochloride,C23H27Cl2F3N2OS,507.437,0
Q27896168,11998655,YM-543,"4-(azulen-2-ylmethyl)-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenolate;2-hydroxyethyl(trimethyl)azanium",C28H37NO7,499.604,5
Q27896174,21586627,LHVAZUAALQTANZ-ANYXPJNNSA-N,N/A,C16H23NO7,341.36,5
Q27896172,198823,"6-Chloro-17-ethyl-3-hydroxy-pregna-4,6-dien-20-one, (3beta)-","1-[(3S,8S,9S,10R,13S,14S,17S)-6-chloro-17-ethyl-3-hydroxy-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethanone",C23H33ClO2,376.965,7
Q27896173,154660,"N-Nitroso-N-(2-benzyl-3-hydroxypropyl)butylamine, (R)-",N-[(2R)-2-benzyl-3-hydroxypropyl]-N-butylnitrous amide,C14H22N2O2,250.342,1
Q27896178,71611870,Rogaratinib dihydrochloride,"4-[[4-amino-6-(methoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl]piperazin-2-one;dihydrochloride",C23H28Cl2N6O3S,539.476,0
Q27896179,23648971,R-348,N-[5-[[5-fluoro-4-(4-prop-2-ynoxyanilino)pyrimidin-2-yl]amino]-2-methylphenyl]sulfonylpropanamide,C23H22FN5O4S,483.518,0
Q27896182,121596701,DTTJKLNXNZAVSM-JYCIKRDWSA-N,"imino-methyl-[1-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-c]pyridin-4-yl)pyrimidin-4-yl]cyclopropyl]-oxo-$l^{6}-sulfane",C20H24N6O2S,412.512,2
Q27896180,16141711,LXCWYTUKZXZSAJ-AUHBJGJSSA-N,H-Glu-Trp-Gln-Thr-Asp-Asn-Cys-Glu-Thr-Cys-Thr-Cys-Tyr-Glu-Thr-OH,C73H104N18O31S3,1825.91,19
Q27896181,20212931,6-Phosphoxyhexyl acrylate,6-phosphonooxyhexyl prop-2-enoate,C9H17O6P,252.203,0
Q27896186,204120,H-237 Citrate,"N,N-diethyl-2-[4-[1-(4-methoxyphenyl)propan-2-yl]phenoxy]ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid",C28H39NO9,533.618,0
Q27896187,9917765,Mitoquinol cation,"10-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)decyl-triphenylphosphanium",C37H46O4P+,585.745,0
Q27896185,71715374,Tak-243,"[(1R,2R,3S,4R)-2,3-dihydroxy-4-[[2-[3-(trifluoromethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate",C19H20F3N5O5S2,519.514,4
Q27896190,101711520,R-724,H-Sar-Arg-Pro-Pro-Gly-Phe-Ser-D-2Nal-Ile-OH,C52H72N12O11,1041.221,8
Q27896191,114758,Galarubicin hydrochloride,"[2-[(2S,4S)-4-[(2R,3R,4R,5S,6S)-3-fluoro-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] 3-aminopropanoate;hydrochloride",C30H33ClFNO13,670.036,7
Q27896188,73777241,Pyflubumide,"N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-3-(2-methylpropyl)phenyl]-1,3,5-trimethyl-N-(2-methylpropanoyl)pyrazole-4-carboxamide",C25H31F6N3O3,535.531,0
Q27896189,121596583,WRPPUEHVLSHXJG-HTQYHTRRSA-N,"butanedioic acid;[(1S,3R)-3-[[(3S,4S)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[(1S,4S)-5-[6-(trifluoromethyl)pyrimidin-4-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone",C29H42F3N5O7,629.678,6
Q27896194,6997191,"Secnidazole, (S)-",(2S)-1-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol,C7H11N3O3,185.183,1
Q27896195,54670351,"JQ-35, (S)-",N/A,C27H34ClN7OS,540.127,1
Q27896192,76961373,"Ciamexon, (S)-",(2S)-1-[(2-methoxy-6-methylpyridin-3-yl)methyl]aziridine-2-carbonitrile,C11H13N3O,203.245,1
Q27896193,667451,"Secnidazole, (R)-",(2R)-1-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol,C7H11N3O3,185.183,1
Q27896198,102092035,"2-Bromo-4,5-dimethoxyamphetamine, (S)-","(2S)-1-(2-bromo-4,5-dimethoxyphenyl)propan-2-amine",C11H16BrNO2,274.158,1
Q27896196,11560307,YM-543 Free acid,"(2S,3R,4R,5S,6R)-2-[5-(azulen-2-ylmethyl)-2-hydroxyphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol",C23H24O6,396.439,5
Q27896197,101648117,KJYHPFPBANRKJS-ICSRJNTNSA-N,"(3S,4S)-12-(hydroxymethyl)-7-methyl-3,4-dihydrobenzo[a]anthracene-3,4-diol",C20H18O3,306.361,2
Q27896202,11959785,Ppd-10558 calcium,"calcium;(3R,5R)-7-[2-(4-fluorophenyl)-4-[[4-(hydroxymethyl)phenyl]carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate",C68H72CaF2N4O12,1215.415,4
Q27896203,92171254,"N-Carbethoxy-L-lysine, epsilon-",(2S)-2-amino-6-(ethoxycarbonylamino)hexanoic acid,C9H18N2O4,218.253,1
Q27896200,59707743,Fluciclatide,Ac(1)-Lys(Unk)-Cys(2)-Arg-Gly-Asp-Cys(2)-Phe-Cys(1)-Unk,C75H115FN18O27S3,1816.022,7
Q27896201,121596537,6-Hydroxybenzo(A)pyrene glucuronide,"(2S,3S,4S,5R,6S)-6-benzo[b]pyren-6-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid",C26H20O7,444.439,5
Q27896206,12538465,"(2S,3R)-2-Methylpentane-1,3-diol","(2S,3R)-2-methylpentane-1,3-diol",C6H14O2,118.176,2
Q27896207,121596369,Tezacitabine anhydrous hydrochloride,"4-amino-1-[(2R,3E,4S,5R)-3-(fluoromethylidene)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride",C10H13ClFN3O4,293.679,3
Q27896204,56966108,Tapentadol hydrobromide,"3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;hydrobromide",C14H24BrNO,302.256,2
Q27896210,11230171,N-Carbomethoxy-L-tyrosine,(2S)-3-(4-hydroxyphenyl)-2-(methoxycarbonylamino)propanoic acid,C11H13NO5,239.227,1
Q27896208,13338940,YM-13115 Free acid,"(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-[(4-carboxy-3-oxo-1,2-thiazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",C21H20N6O10S4,644.663,2
Q27896209,155612,"trans-1,2,3,4,4a,9,10,10a-Octahydrophenanthrene","(4aR,10aS)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene",C14H18,186.298,2
Q27896214,9836181,7-beta-Hydroxyepiandrosterone,"(3S,5R,7S,8R,9S,10S,13S,14S)-3,7-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one",C19H30O3,306.446,8
Q27896212,6479287,"Tezacitabine anhydrous, (Z)-","4-amino-1-[(2R,3Z,4S,5R)-3-(fluoromethylidene)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one",C10H12FN3O4,257.221,3
Q27896219,10942544,"1-Cyclohexyl-1-propanol, (S)-",(1S)-1-cyclohexylpropan-1-ol,C9H18O,142.242,1
Q27896216,9896260,Zep-3,H-Pyr-Asn-Trp-Lys(octanoyl)-OH,C34H49N7O8,683.807,4
Q27896217,10964625,"1-Cyclohexyl-1-propanol, (R)-",(1R)-1-cyclohexylpropan-1-ol,C9H18O,142.242,1
Q27896223,17749119,Martius yellow sodium monohydrate,"sodium;2,4-dinitronaphthalen-1-olate;hydrate",C10H7N2NaO6,274.164,0
Q27896221,6918060,Timelotem maleate,"(Z)-but-2-enedioic acid;10-fluoro-3-methyl-7-thiophen-2-yl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine",C25H26FN3O8S,547.554,0
Q27896224,5916501,NC-758 Free base,"(E)-5-(diethylamino)-1-[4-[(E)-5-(diethylamino)-4,4-dimethyl-3-oxopent-1-enyl]phenyl]-4,4-dimethylpent-1-en-3-one",C28H44N2O2,440.672,0
Q27896230,78357793,Ledipasvir acetone,"methyl N-[(2S)-1-[(6S)-6-[5-[9,9-difluoro-7-[2-[(1S,2S,4R)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-3-azabicyclo[2.2.1]heptan-2-yl]-3H-benzimidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;propan-2-one",C52H60F2N8O7,947.098,6
Q27896228,2109,"Aspartic acid, 2-methyl-",H-DL-aMeAsp-OH,C5H9NO4,147.13,0
Q27896229,46220503,Landipirdine,"[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methylurea",C18H19FN2O3S,362.419,1
Q27896234,78357794,Ledipasvir D-tartrate,"(2S,3S)-2,3-dihydroxybutanedioic acid;methyl N-[(2S)-1-[(6S)-6-[5-[9,9-difluoro-7-[2-[(1S,2S,4R)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-3-azabicyclo[2.2.1]heptan-2-yl]-3H-benzimidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate",C53H60F2N8O12,1039.104,8
Q27896235,6434244,Sodium 5-nitrofurylacrylate,sodium;(E)-3-(5-nitrofuran-2-yl)prop-2-enoate,C7H4NNaO5,205.101,0
Q27896233,92044391,Ledipasvir diacetone,"methyl N-[(2S)-1-[(6S)-6-[5-[9,9-difluoro-7-[2-[(1S,2S,4R)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-3-azabicyclo[2.2.1]heptan-2-yl]-3H-benzimidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;propan-2-one",C55H66F2N8O8,1005.178,6
Q27896238,69288197,Revatropate hydrobromide,[(3R)-1-azabicyclo[2.2.2]octan-3-yl] (2S)-2-(hydroxymethyl)-4-[(R)-methylsulfinyl]-2-phenylbutanoate;hydrobromide,C19H28BrNO4S,446.4,3
Q27896239,13529202,Triacetoxycholic acid,"(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-triacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid",C30H46O8,534.69,11
Q27896243,121596618,Eletriptan hydrochloride,5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;hydrochloride,C22H27ClN2O2S,418.98,1
Q27896240,111194,"Histidine monohydrochloride, D-",(2R)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrochloride,C6H10ClN3O2,191.615,1
Q27896241,69110544,Revatropate hydrochloride,[(3R)-1-azabicyclo[2.2.2]octan-3-yl] (2S)-2-(hydroxymethyl)-4-[(R)-methylsulfinyl]-2-phenylbutanoate;hydrochloride,C19H28ClNO4S,401.946,3
Q27896244,57341282,Azp-531,cyclo[Arg-Val-Gln-Ser-Pro-Glu-His-Gln],C40H63N15O13,962.036,8
Q27896245,68966951,Eletriptan succinate,5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;butanedioic acid,C26H32N2O6S,500.61,1
Q27896250,91280481,Methyl N-(2-(hydroxymethyl)-6-methylphenyl)-N-(methoxyacetyl)-L-alanine,methyl (2S)-2-[2-(hydroxymethyl)-N-(2-methoxyacetyl)-6-methylanilino]propanoate,C15H21NO5,295.335,1
Q27896248,69396807,"2-Bromo-4,5-dimethoxyamphetamine, (R)-","(2R)-1-(2-bromo-4,5-dimethoxyphenyl)propan-2-amine",C11H16BrNO2,274.158,1
Q27896254,14722888,"Pirazmonam, (R)-","2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(3R)-1-[[3-[(5-hydroxy-4-oxo-1H-pyridine-2-carbonyl)amino]-2-oxoimidazolidin-1-yl]sulfonylcarbamoyl]-2-oxoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid",C22H24N10O12S2,684.612,1
Q27896255,149863,"N-((2,4,5-Trichlorophenoxy)acetyl)-L-leucine","(2S)-4-methyl-2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]pentanoic acid",C14H16Cl3NO4,368.635,1
Q27896252,44230999,Omidenepag isopropyl,propan-2-yl 2-[[6-[[(4-pyrazol-1-ylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]pyridin-2-yl]amino]acetate,C26H28N6O4S,520.608,0
Q27896253,10329280,"2-Methyl-1,3-pentanediol, (2S,3S)-","(2S,3S)-2-methylpentane-1,3-diol",C6H14O2,118.176,2
Q27896258,10415975,"Flupentixol decanoate, (Z)-",2-[4-[(3Z)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethyl decanoate,C33H43F3N2O2S,588.774,0
Q27896259,247996,"12,15-Dihydroxypregn-4-ene-3,20-dione, (12beta,15alpha)-","(8R,9S,10R,12R,13S,14S,15S,17S)-17-acetyl-12,15-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",C21H30O4,346.467,8
Q27896256,5492618,Thebaine hydrochloride,"(4R,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline;hydrochloride",C19H22ClNO3,347.839,3
Q27896257,121596615,CSTWJIMFWZQABL-HNVVXWNDSA-K,"trisodium;(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxylatopropan-2-yloxyimino)acetyl]amino]-3-[(4-carboxylato-3-oxo-1,2-thiazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate",C21H17N6Na3O10S4,710.608,2
Q27896262,21677485,Nebramycin factor 13,"[(2R,3S,5R,6R)-5-amino-6-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3-hydroxyoxan-2-yl]methylurea",C19H38N6O10,510.545,14
Q27896263,121596602,Thebaine oxalate monohydrate,"(4R,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline;oxalic acid;hydrate",C21H25NO8,419.43,3
Q27896261,16140,"17-Butadiynyl-3-methoxy-estra-1,3,5(10)-trien-17beta-OL","(8R,9S,13S,14S,17S)-17-buta-1,3-diynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol",C23H26O2,334.459,5
Q27896267,121596538,Almurtide sodium,"sodium;(4R)-4-[[(2S)-2-[[2-[(2R,3R,4R,5R)-2-acetamido-4,5,6-trihydroxy-1-oxohexan-3-yl]oxyacetyl]amino]propanoyl]amino]-5-amino-5-oxopentanoate",C18H29N4NaO11,500.437,6
Q27896264,6475206,"5-(2-Chlorovinyl)-2'-deoxyuridine, (E)-","5-[(E)-2-chloroethenyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",C11H13ClN2O5,288.684,3
Q27896265,101283376,Nikkomycin I,"(2S)-2-[[(2S)-2-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino]-2-[(2R,3S,4R,5R)-5-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,4-dihydroxyoxolan-2-yl]acetyl]amino]pentanedioic acid",C25H32N6O13,624.56,9
Q27896270,27762856,"Tartaramide, meso-","(2R,3S)-2,3-dihydroxybutanediamide",C4H8N2O4,148.118,2
Q27896271,5352041,Buddledin C,"(1R,4Z,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-3-one",C15H22O,218.34,2
Q27896268,451515,3'-Epizidovudine,"1-[(2R,4R,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione",C10H13N5O4,267.245,3
Q27896269,21677483,Nebramycin factor 11,"[(2R,3R,5S,6R)-6-(aminomethyl)-2-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-hydroxyoxan-3-yl]urea",C19H38N6O10,510.545,14
Q27896275,9910902,"3-{4-Cyano-3-[(R)-2-hydroxy-3-(2-indan-2-yl-1,1-dimethyl-ethylamino)-propoxy]-phenyl}-propionic acid","3-[4-cyano-3-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]phenyl]propanoic acid",C26H32N2O4,436.552,1
Q27896272,68109743,1-(5-Chloro-6-(2-methylpropoxy)-3-pyridinyl)-3-methyl-N-(methylsulfonyl)-1H-indazole-5-carboxamide,1-[5-chloro-6-(2-methylpropoxy)pyridin-3-yl]-3-methyl-N-methylsulfonylindazole-5-carboxamide,C19H21ClN4O4S,436.911,0
Q27896273,121596614,Atesidorsen,Thy-MeOEt(-2)Ribf-sP-m5Cyt-MeOEt(-2)Ribf-sP-Ade-MeOEt(-2)Ribf-sP-Gua-MeOEt(-2)Ribf-sP-Gua-MeOEt(-2)Ribf-sP-dGuo-sP-m5Cyt-dRibf-sP-dAdo-sP-dThd-sP-dThd-sP-m5Cyt-dRibf-sP-dThd-sP-dThd-sP-dThd-sP-m5Cyt-dRibf-sP-m5Cyt-MeOEt(-2)Ribf-sP-Ade-MeOEt(-2)Ribf-sP-Thy-MeOEt(-2)Ribf-sP-Thy-MeOEt(-2)Ribf-sP-m5Cyt-MeOEt(-2)Ribf,C230H321N64O124P19S19,7164.063,70
Q27896279,11192585,PMFRPLBQEYHUMG-VSGBNLITSA-N,"(3R,5R)-7-[2-(4-fluorophenyl)-4-[[4-(hydroxymethyl)phenyl]carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid",C34H37FN2O6,588.676,2
Q27896276,221654,"1'-Acetoxy-2',3'-dihydrosafrole","1-(1,3-benzodioxol-5-yl)propyl acetate",C12H14O4,222.24,0
Q27896283,46198579,MCRWZBYTLVCCJJ-DKALBXGISA-N,"[(1S,3R)-3-[[(3S,4S)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[(1S,4S)-5-[6-(trifluoromethyl)pyrimidin-4-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone",C25H36F3N5O3,511.59,6
Q27896280,10695382,KBXGPDZPJGFKMO-JGMGOPDFSA-N,"(1R,3S,5Z)-5-[(2E)-2-[(3aS,7aS)-1-[(2R)-4-tert-butylsulfonylbutan-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol",C27H42O4S,462.689,5
Q27896281,94364,N-Acetyl-D-cysteine,(2S)-2-acetamido-3-sulfanylpropanoic acid,C5H9NO3S,163.191,1
Q27896286,25086585,Ser-100,Ac-Arg-Tyr-Tyr-Arg-Trp-Lys-Lys-Lys-Lys-Lys-Lys-Lys-NH2,C85H141N27O15,1781.237,12
Q27896287,21123362,KEFXQTPQVMBKRL-QPUJVOFHSA-N,"(3aR,8bS)-6,8-dimethoxy-3a,8b-dihydrofuro[2,3-b][1]benzofuran",C12H12O4,220.224,2
Q27896285,13571917,"2,4-Dimethoxy-N,N-dimethyl-5-iodophenylisopropylamine","1-(5-iodo-2,4-dimethoxyphenyl)-N,N-dimethylpropan-2-amine",C13H20INO2,349.212,0
Q27896291,159814,"Viridifloric acid, (+)-",(2R)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoic acid,C7H14O4,162.185,2
Q27896295,151864,5-(2-Chloroethyl)-2'-deoxycytidine,"4-amino-5-(2-chloroethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one",C11H16ClN3O4,289.716,3
Q27896293,11693839,Lysobactin,"(2R)-2-amino-N-[(2S)-1-[[(3S,6S,12S,15S,18R,21S,24S,27S,28R)-6-[(1S)-2-amino-1-hydroxy-2-oxoethyl]-15-[(2S)-butan-2-yl]-18-[3-(diaminomethylideneamino)propyl]-12-[(1S)-1-hydroxyethyl]-3-(hydroxymethyl)-24-[(1R)-1-hydroxy-2-methylpropyl]-21-(2-methylpropyl)-2,5,8,11,14,17,20,23,26-nonaoxo-28-phenyl-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-27-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide",C58H97N15O17,1276.502,15
Q27896299,20838731,Ricinoleic ethylolamide,"(Z,12R)-12-hydroxy-N-(2-hydroxyethyl)octadec-9-enamide",C20H39NO3,341.536,1
Q27896296,121596613,Atesidorsen sodium,Thy-MeOEt(-2)Ribf-sP-m5Cyt-MeOEt(-2)Ribf-sP-Ade-MeOEt(-2)Ribf-sP-Gua-MeOEt(-2)Ribf-sP-Gua-MeOEt(-2)Ribf-sP-dGuo-sP-m5Cyt-dRibf-sP-dAdo-sP-dThd-sP-dThd-sP-m5Cyt-dRibf-sP-dThd-sP-dThd-sP-dThd-sP-m5Cyt-dRibf-sP-m5Cyt-MeOEt(-2)Ribf-sP-Ade-MeOEt(-2)Ribf-sP-Thy-MeOEt(-2)Ribf-sP-Thy-MeOEt(-2)Ribf-sP-m5Cyt-MeOEt(-2)Ribf.19Na+,C230H302N64Na19O124P19S19,7581.717,70
Q27896297,10372438,"Pirazmonam, (S)-","2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(3S)-1-[[3-[(5-hydroxy-4-oxo-1H-pyridine-2-carbonyl)amino]-2-oxoimidazolidin-1-yl]sulfonylcarbamoyl]-2-oxoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid",C22H24N10O12S2,684.612,1
Q27896303,88518,Silver 1-phenyltetrazole-5-thiolate,silver;1-phenyltetrazole-5-thiolate,C7H5AgN4S,285.073,0
Q27896300,121513840,Ochratoxin A potassium,"potassium;(2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoate",C20H17ClKNO6,441.905,2
Q27896301,76956177,"Razinodil, (S)-","[(2S)-1-morpholin-4-yl-3-(6,7,8-trimethoxy-4-oxo-1,2,3-benzotriazin-3-yl)propan-2-yl] 3,4,5-trimethoxybenzoate",C27H34N4O10,574.587,1
Q27896306,92854578,KEEHJLBAOLGBJZ-ILKMQKNNSA-N,"(2E,4E,6E,8E)-3,7-dimethyl-9-[(1R,6S)-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]nona-2,4,6,8-tetraenoic acid",C20H28O3,316.441,2
Q27896304,121596404,"Flupentixol decanoate dihydrochloride, (E)-",2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethyl decanoate;dihydrochloride,C33H45Cl2F3N2O2S,661.69,0
Q27896305,14828974,Triptogelin A-1,N/A,C45H44O11,760.836,9
Q27896308,121596434,"Flupentixol decanoate dihydrochloride, (Z)-",2-[4-[(3Z)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethyl decanoate;dihydrochloride,C33H45Cl2F3N2O2S,661.69,0
Q27896309,121513836,Triacetylindicine,"[(7R,8R)-7-acetyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2R)-2-acetyloxy-2-[(1S)-1-acetyloxyethyl]-3-methylbutanoate",C21H31NO8,425.478,4
Q27896315,16679092,Skq-1 ion,"10-(4,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decyl-triphenylphosphanium",C36H42O2P+,537.704,0
Q27896312,85707841,"7-Nitrobenz(A)anthracene-5,6-dione","7-nitrobenzo[a]anthracene-5,6-dione",C18H9NO4,303.273,0
Q27896313,56649444,"Alanine, D-tryptophyl-2-methyl-",H-D-Trp-Aib-OH,C15H19N3O3,289.335,1
Q27896318,24826985,Pdm-08,"(2R,4S)-4-amino-5-oxo-4-(pyridin-1-ium-1-ylmethyl)pyrrolidine-2-carboxylic acid;bromide;hydrobromide",C11H15Br2N3O3,397.067,2
Q27896316,6434100,"Flupentixol decanoate, (E)-",2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethyl decanoate,C33H43F3N2O2S,588.774,0
Q27896317,16679091,Skq-1 bromide,"10-(4,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decyl-triphenylphosphanium;bromide",C36H42BrO2P,617.608,0
Q27896322,121596596,Tylosin hydrochloride,"2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde;hydrochloride",C46H78ClNO17,952.57,21
Q27896323,2735174,Sodium 1-phenyltetrazole-5-thiolate,sodium;1-phenyltetrazole-5-thiolate,C7H5N4NaS,200.195,0
Q27896321,67027609,Ramatroban sodium,"sodium;3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoate",C21H20FN2NaO4S,438.449,1
Q27896326,121596546,Ochratoxin A sodium,"sodium;(2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoate",C20H17ClNNaO6,425.797,2
Q27896331,16683976,Triphenyltin chloroacetate,triphenylstannyl 2-chloroacetate,C20H17ClO2Sn,443.514,0
Q27896329,9896827,JZRFAIHFMIECQR-AJISXOSTSA-N,"(2R)-2-benzyl-N-[(2S)-1-[[(1R,2S)-3-cyclohexyl-1-[(5S)-3-ethyl-2-oxo-1,3-oxazolidin-5-yl]-1-hydroxypropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N'-[2-(2-methoxyethoxymethoxy)ethyl]-N'-methylbutanediamide",C38H58N6O9,742.915,5
Q27896338,12436372,"1,4,7,10,13-Pentaoxacyclohexadecan-15-OL","1,4,7,10,13-pentaoxacyclohexadecan-15-ol",C11H22O6,250.291,0
Q27896339,100580,"3-Methoxy-4-nitro-estra-1,3,5(10)-trien-17-one","(8R,9S,13S,14S)-3-methoxy-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one",C19H23NO4,329.396,4
Q27896336,121596510,Onc-201 dihydrochloride,N/A,C24H28Cl2N4O,459.415,0
Q27896337,13742987,Dicyclohexano-21-crown-7,N/A,C22H40O7,416.555,0
Q27896342,11468733,20S-Protopanaxatriol,"(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol",C30H52O4,476.742,11
Q27896341,83618,"Bis(2,4-xylyl) disulfide","1-[(2,4-dimethylphenyl)disulfanyl]-2,4-dimethylbenzene",C16H18S2,274.44,0
Q27896346,77420,"Bis(2,5-xylyl) disulfide","2-[(2,5-dimethylphenyl)disulfanyl]-1,4-dimethylbenzene",C16H18S2,274.44,0
Q27896347,103160,"2,4-Xylyl 2,5-xylyl disulfide","1-[(2,5-dimethylphenyl)disulfanyl]-2,4-dimethylbenzene",C16H18S2,274.44,0
Q27896345,121596565,Trisodium acetylcitrate,"trisodium;2-acetyloxypropane-1,2,3-tricarboxylate",C8H7Na3O8,300.105,0
Q27896350,103166,"2,3-Xylyl 2,4-xylyl disulfide","1-[(2,3-dimethylphenyl)disulfanyl]-2,4-dimethylbenzene",C16H18S2,274.44,0
Q27896351,18395084,"3,4-DI-O-Methyl-L-rhamnose","(2R,3S,4S,5S)-2,5-dihydroxy-3,4-dimethoxyhexanal",C8H16O5,192.211,4
Q27896349,103162,"2,4-Xylyl 3,4-xylyl disulfide","1-[(3,4-dimethylphenyl)disulfanyl]-2,4-dimethylbenzene",C16H18S2,274.44,0
Q27896354,21159907,"25,26-Dihydroxycholecalciferol","(6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-1,2-diol",C27H44O3,416.646,5
Q27896355,121596641,3'-Hydroxy HT-2 toxin 3-acetate,N/A,C24H34O10,482.526,8
Q27896352,56936439,"1,2-Dilauroyl-3-oleoyl-SN-glycerol","[(2R)-2,3-di(dodecanoyloxy)propyl] (Z)-octadec-9-enoate",C45H84O6,721.161,1
Q27896358,13279083,"3',4'-O,O-(DI(Fluorophenyl)methylene)-(+)-catechin","(2R,3S)-2-[2,2-bis(4-fluorophenyl)-1,3-benzodioxol-5-yl]-3,4-dihydro-2H-chromene-3,5,7-triol",C28H20F2O6,490.459,2
Q27896356,44559327,3'-Hydroxy HT-2 toxin,N/A,C22H32O9,440.489,8
Q27896363,18398327,"2-Amino-1,6-naphthalenedisulfonic acid","2-aminonaphthalene-1,6-disulfonic acid",C10H9NO6S2,303.303,0
Q27896360,21120317,22R-Hydroxydesmosterol,"(3S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R)-3-hydroxy-6-methylhept-5-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol",C27H44O2,400.647,9
Q27896361,121596580,3'-Hydroxy T-2 toxin,N/A,C24H34O10,482.526,8
Q27896366,87094281,2-O-Ethyl-D-glucose,"(2R,3S,4R,5R)-2-ethoxy-3,4,5,6-tetrahydroxyhexanal",C8H16O6,208.21,4
Q27896364,101256172,3-O-Ethyl-D-glucose,"(2R,3S,4R,5R)-3-ethoxy-2,4,5,6-tetrahydroxyhexanal",C8H16O6,208.21,4
Q27896365,14104334,"2,3,4-Tri-O-methyl-D-glucose","(2R,3S,4R,5R)-5,6-dihydroxy-2,3,4-trimethoxyhexanal",C9H18O6,222.237,4
Q27896370,103186,"2,6-Xylyl 3,5-xylyl disulfide","1-[(2,6-dimethylphenyl)disulfanyl]-3,5-dimethylbenzene",C16H18S2,274.44,0
Q27896371,103169,"2,3-Xylyl 3,5-xylyl disulfide","1-[(2,3-dimethylphenyl)disulfanyl]-3,5-dimethylbenzene",C16H18S2,274.44,0
Q27896368,56842415,Ferrous palmitate,hexadecanoate;iron(2+),C32H62FeO4,566.689,0
Q27896375,44146400,"N,N-Dimethyl methanamine 8-hydroxy-5-quinolinesulfonate","N,N-dimethylmethanamine;8-hydroxyquinoline-5-sulfonic acid",C12H16N2O4S,284.33,0
Q27896372,103183,"2,5-Xylyl 2,6-xylyl disulfide","2-[(2,5-dimethylphenyl)disulfanyl]-1,3-dimethylbenzene",C16H18S2,274.44,0
Q27896373,160684,Manganese stearate,manganese(2+);octadecanoate,C36H70MnO4,621.89,0
Q27896378,6455380,Aza-21-crown-7,"1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane",C14H29NO6,307.387,0
Q27896379,103167,"2,3-Xylyl 2,6-xylyl disulfide","1-[(2,6-dimethylphenyl)disulfanyl]-2,3-dimethylbenzene",C16H18S2,274.44,0
Q27896376,116593,"2,5-Xylyl 3,4-xylyl disulfide","2-[(3,4-dimethylphenyl)disulfanyl]-1,4-dimethylbenzene",C16H18S2,274.44,0
Q27896382,174345,Dimethylsila-17-crown-6,"2,2-dimethyl-1,3,6,9,12,15-hexaoxa-2-silacycloheptadecane",C12H26O6Si,294.419,0
Q27896383,13153967,"1,4,7,10,13,16-Hexaoxacyclononadecan-18-OL","1,4,7,10,13,16-hexaoxacyclononadecan-18-ol",C13H26O7,294.344,0
Q27896381,116572,"Bis(3,4-xylyl) disulfide","4-[(3,4-dimethylphenyl)disulfanyl]-1,2-dimethylbenzene",C16H18S2,274.44,0
Q27896390,12988705,Alanylphenylalanine methyl ester,methyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoate,C13H18N2O3,250.298,2
Q27896391,222817,Androstenediol 3-tetrahydropyranyl ether,"(3S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-(oxan-2-yloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol",C24H38O3,374.565,7
Q27896392,106486,"N,N,N',N'-Tetrabutyl-N,N'-diethyl-1,6-hexanediaminium bis(ethyl sulfate)",dibutyl-[6-[dibutyl(ethyl)azaniumyl]hexyl]-ethylazanium;ethyl sulfate,C30H68N2O8S2,649,0
Q27896393,104764,"3,8-Didehydromonocrotaline",N/A,C16H21NO6,323.345,4
Q27896398,203595,Succinylmonocholine iodide,2-(3-carboxypropanoyloxy)ethyl-trimethylazanium;iodide,C9H18INO4,331.15,0
Q27896399,199935,Succinylmonocholine chloride,2-(3-carboxypropanoyloxy)ethyl-trimethylazanium;chloride,C9H18ClNO4,239.696,0
Q27896404,159461,Yakkasterone,"(3S,5R,8S,9S,10R,13R,14S,17R)-3,5-dihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one",C27H46O3,418.662,9
Q27896410,5311234,"16-Phenoxy-17,18,19,20-tetranorprostaglandin F2alpha","(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-phenoxybut-1-enyl]cyclopentyl]hept-5-enoic acid",C22H30O6,390.476,5
Q27896411,122173821,"1,3-Dihydrochlordenedicarboxylic acid",N/A,C12H8Cl6O4,428.892,6
Q27896408,11744963,6-Deoxy-D-fructose,"(3S,4R,5R)-1,3,4,5-tetrahydroxyhexan-2-one",C6H12O5,164.157,3
Q27896412,2735095,"1,5-Naphthalenedisulfonic acid disodium dihydrate","disodium;naphthalene-1,5-disulfonate;dihydrate",C10H10Na2O8S2,368.282,0
Q27896419,10429164,7-Hydroxy-pipat I-125,"7-[[(E)-3-iodanylprop-2-enyl]-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol",C16H22INO,369.263,0
Q27896416,36027,Fenamiphos sulfoxide,N-[ethoxy-(3-methyl-4-methylsulfinylphenoxy)phosphoryl]propan-2-amine,C13H22NO4PS,319.356,0
Q27896426,122173875,Monocerolide,"(3aR,9bR)-6-hydroxy-7,8-dimethoxy-3a,9b-dihydro-3H-furo[3,2-c]isochromene-2,5-dione",C13H12O7,280.232,2
Q27896427,101721117,Dihydrocholesteryl stearate,"[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] octadecanoate",C45H82O2,655.149,9
Q27896424,155154,Coromandaline,"[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (2R)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate",C15H27NO4,285.384,4
Q27896430,23694180,Sodium dihomo-gamma-linolenate,"sodium;(8Z,11Z,14Z)-icosa-8,11,14-trienoate",C20H33NaO2,328.472,0
Q27896431,23247892,Lucidenic acid E,"(4R)-4-[(3S,5R,10S,12S,13R,14R,17R)-12-acetyloxy-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid",C29H40O8,516.631,8
Q27896428,122173845,Dihydrocholesteryl palmitoleate,"[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-hexadec-9-enoate",C43H76O2,625.079,9
Q27896429,97299732,"Monoisoamyl 2,3-dimercaptosuccinate","(2R,3S)-4-(3-methylbutoxy)-4-oxo-2,3-bis(sulfanyl)butanoic acid",C9H16O4S2,252.343,2
Q27896434,10909517,cis-Bicyclo[3.3.0]oct-2-ene,"(3aS,6aS)-1,2,3,3a,4,6a-hexahydropentalene",C8H12,108.184,2
Q27896435,56972162,8-Hydroxy-PIPAT oxalate,"7-[[(E)-3-iodoprop-2-enyl]-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol;oxalic acid",C18H24INO5,461.296,0
Q27896432,6142670,8-Hydroxy-pipat,"7-[[(E)-3-iodoprop-2-enyl]-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol",C16H22INO,371.262,0
Q27896438,3001990,Vat violet 2,(2E)-5-chloro-2-(5-chloro-7-methyl-3-oxo-1-benzothiophen-2-ylidene)-7-methyl-1-benzothiophen-3-one,C18H10Cl2O2S2,393.296,0
Q27896439,12429721,"Bicyclo(3.3.0)oct-2-ene, trans-","(3aR,6aS)-1,2,3,3a,4,6a-hexahydropentalene",C8H12,108.184,2
Q27896436,106487,"N,N,N',N'-Tetrabutyl-N,N'-diethyl-1,6-hexanediaminium",dibutyl-[6-[dibutyl(ethyl)azaniumyl]hexyl]-ethylazanium,C26H58N2+2,398.764,0
Q27896443,69167327,Dihydrocholesteryl palmitate,"[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] hexadecanoate",C43H78O2,627.095,9
Q27896440,11573479,Methyl 15-hydroxydehydroabietate,"methyl (1R,4aS,10aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate",C21H30O3,330.468,3
Q27896447,10813312,"2-(4-Nitrophenylamino)-5-(3-benzoylamino-2,4,5-thiadiazolyl)-1,4-benzenedione","N-[5-[4-(4-nitroanilino)-3,6-dioxocyclohexa-1,4-dien-1-yl]-1,3,4-thiadiazol-2-yl]benzamide",C21H13N5O5S,447.425,0
Q27896444,71535713,3-Aceto-1-palmitin,(3-acetyloxy-2-hydroxypropyl) hexadecanoate,C21H40O5,372.546,0
Q27896445,6454191,1-D-Alanyl-L-proline,H-D-Ala-Pro-OH,C8H14N2O3,186.211,2
Q27896450,6443726,"7,8-Didehydroastaxanthin","(6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-2,4,4-trimethylcyclohex-2-en-1-one",C40H50O4,594.836,2
Q27896451,91969,"Bis(2,3-xylyl) disulfide","1-[(2,3-dimethylphenyl)disulfanyl]-2,3-dimethylbenzene",C16H18S2,274.44,0
Q27896448,630403,Hulupone,"4-hydroxy-5-(3-methylbutanoyl)-2,2-bis(3-methylbut-2-enyl)cyclopent-4-ene-1,3-dione",C20H28O4,332.44,0
Q27896449,51050002,E-58425 Hydrochloride,"(1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;hydrochloride",C33H40ClF3N4O4S,681.212,2
Q27896454,103187,"3,4-Xylyl 3,5-xylyl disulfide","1-[(3,4-dimethylphenyl)disulfanyl]-3,5-dimethylbenzene",C16H18S2,274.44,0
Q27896455,5352226,"2-Pentadecene, Z-",(Z)-pentadec-2-ene,C15H30,210.405,0
Q27896452,12514740,"3-Acetylamino-5-nitro-1,2,4-triazole","N-(3-nitro-1H-1,2,4-triazol-5-yl)acetamide",C4H5N5O3,171.116,0
Q27896453,103185,"2,6-Xylyl 3,4-xylyl disulfide","2-[(3,4-dimethylphenyl)disulfanyl]-1,3-dimethylbenzene",C16H18S2,274.44,0
Q27896457,103161,"2,4-Xylyl 2,6-xylyl disulfide","1-[(2,6-dimethylphenyl)disulfanyl]-2,4-dimethylbenzene",C16H18S2,274.44,0
Q27896462,11805923,Deoxyaspergillic acid,6-[(2S)-butan-2-yl]-3-(2-methylpropyl)-1H-pyrazin-2-one,C12H20N2O,208.305,1
Q27896463,54165334,"N-Acetyl-S-(2-hydroxycyclohexyl)-L-cysteine, trans-(R,R)-","(2R)-2-acetamido-3-[(1R,2R)-2-hydroxycyclohexyl]sulfanylpropanoic acid",C11H19NO4S,261.336,3
Q27896461,12304001,Corticrocin,"(2E,4E,6E,8E,10E,12E)-tetradeca-2,4,6,8,10,12-hexaenedioic acid",C14H14O4,246.262,0
Q27896466,101301306,Fonsecinone B,"7-(2,5-dihydroxy-6,8-dimethoxy-2-methyl-4-oxo-3H-benzo[g]chromen-10-yl)-5-hydroxy-6,8-dimethoxy-2-methylbenzo[g]chromen-4-one",C32H28O11,588.565,0
Q27896467,10325700,Fonsecinone A,"5-hydroxy-9-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-8,10-dimethoxy-2-methylbenzo[h]chromen-4-one",C32H26O10,570.55,0
Q27896465,21121048,"N-Acetyl-S-(2-hydroxycyclohexyl)-L-cysteine, trans-(S,S)-","(2R)-2-acetamido-3-[(1S,2S)-2-hydroxycyclohexyl]sulfanylpropanoic acid",C11H19NO4S,261.336,3
Q27896471,101821086,Rishitinol,"(2S,3R)-3-(2-hydroxypropan-2-yl)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-ol",C15H22O2,234.339,2
Q27896472,54458444,WZWKJOSHIMCMCE-UHFFFAOYSA-N,"1,1-diethyl-3-[(1-methyl-2-oxoindol-3-ylidene)amino]thiourea",C14H18N4OS,290.385,0
Q27896473,128980,N-Hydroxy-N-glucuronosyl-2-aminofluorene,"(2S,3S,4S,5R,6R)-6-[9H-fluoren-2-yl(hydroxy)amino]-3,4,5-trihydroxyoxane-2-carboxylic acid",C19H19NO7,373.361,5
Q27896477,20131900,2-Acetamido-2-phenylbutanoic acid,2-acetamido-2-phenylbutanoic acid,C12H15NO3,221.256,0
Q27896482,116592,"2,3-Xylyl 2,5-xylyl disulfide","1-[(2,5-dimethylphenyl)disulfanyl]-2,3-dimethylbenzene",C16H18S2,274.44,0
Q27896483,6367036,Stilbamidine dihydrochloride,4-[(E)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide;dihydrochloride,C16H18Cl2N4,337.248,0
Q27896480,44146827,Tributyltin abietate,"tributylstannyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate",C32H56O2Sn,591.508,4
Q27896481,9954527,Polyglyceryl-10 stearate,"[3-(2,3-dihydroxypropoxy)-2-hydroxypropyl] octadecanoate", ,432.642,0
Q27896486,3081500,6-D-Ala-gonadorelin,H-Pyr-His-Trp-Ser-Tyr-D-Ala-Leu-Arg-Pro-Gly-NH2,C56H77N17O13,1196.338,9
Q27896487,56627025,Nivalenol tetraacetate,N/A,C23H28O11,480.466,8
Q27896485,122173984,Decacalcium;sodium;henicosahydroxide;decahydrate,decacalcium;sodium;henicosahydroxide;decahydrate,Ca10H41NaO31,961.067,0
Q27896491,5478846,Tetraalanine,H-Ala-Ala-Ala-Ala-OH,C12H22N4O5,302.331,4
Q27896488,5468104,"Mitorubrinic acid, (R)-","(E)-3-[(7R)-7-(2,4-dihydroxy-6-methylbenzoyl)oxy-7-methyl-6,8-dioxoisochromen-3-yl]prop-2-enoic acid",C21H16O9,412.35,1
Q27896494,4995032,Methyl-dithiocarbamate,methyl carbamodithioate,C2H5NS2,107.189,0
Q27896495,16684135,Bis(tributyltin) fumarate,bis(tributylstannyl) (E)-but-2-enedioate,C28H56O4Sn2,694.172,0
Q27896493,55282130,(3R)-3-Hydroxyasparagine,H-Asn(3R-3-OH)-OH,C4H8N2O4,148.118,2
Q27896499,102397922,UGQWYQLYNQTXMZ-XQHKEYJVSA-N,N/A,C13H11NO3,229.235,4
Q27896503,85539177,"4-Oxo-4-(3,4,5-trichloroanilino)butanoic acid","4-oxo-4-(3,4,5-trichloroanilino)butanoic acid",C10H8Cl3NO3,296.528,0
Q27896500,11424270,Dihydroxy-oxo-selanylidene-$l^{6}-sulfane,dihydroxy-oxo-selanylidene-$l^{6}-sulfane,H2O3SSe,161.044,0
Q27896507,9942232,"Acetylcysteine amide, DL-",2-acetamido-3-sulfanylpropanamide,C5H10N2O2S,162.207,0
Q27896510,12303717,Cochenillic acid,"5-hydroxy-3-methylbenzene-1,2,4-tricarboxylic acid",C10H8O7,240.167,0
Q27896514,10942345,Benzene oxide,"(1S,6R)-7-oxabicyclo[4.1.0]hepta-2,4-diene",C6H6O,94.113,2
Q27896515,10381862,Methyl-4-oxoretinoate,"methyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenoate",C21H28O3,328.452,0
Q27896513,11473265,Crotin,"3-(3,4-dihydroxyphenyl)-1-(5-hydroxy-2,2-dimethylchromen-6-yl)propan-1-one",C20H20O5,340.375,0
Q27896518,20463123,Dehydrofusaric acid,5-but-3-enylpyridine-2-carboxylic acid,C10H11NO2,177.203,0
Q27896519,91668263,Apto-253 hydrochloride,"2-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;hydrochloride",C22H15ClFN5,403.845,0
Q27896520,16745403,"Hydroxysydonic acid, (+/-)-","4-(2,6-dihydroxy-6-methylheptan-2-yl)-3-hydroxybenzoic acid",C15H22O5,282.336,0
Q27896526,5355026,beta-Ionylideneacetaldehyde,"(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienal",C15H22O,218.34,0
Q27896524,71405086,"1-[2-[4-[(1S,2R)-5-Methoxy-2-phenyl-2,3-dihydro-1H-inden-1-yl]phenoxy]ethyl]pyrrolidine","1-[2-[4-[(1S,2R)-5-methoxy-2-phenyl-2,3-dihydro-1H-inden-1-yl]phenoxy]ethyl]pyrrolidine",C28H31NO2,413.561,2
Q27896525,3086514,Bmy-14802 hydrochloride,1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol;hydrochloride,C18H23ClF2N4O,384.856,0
Q27896530,146554,"S-(1,2,3,3,3-Pentachloro-1-propenyl)-L-cysteine","(2R)-2-amino-3-(1,2,3,3,3-pentachloroprop-1-enylsulfanyl)propanoic acid",C6H6Cl5NO2S,333.429,1
Q27896531,122173832,Prolyldiketopiperazine B,"(3S,8aR)-3-(3-methylbutyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione",C12H20N2O2,224.304,2
Q27896532,3002914,Hemanthidine,N/A,C17H19NO5,317.341,5
Q27896533,86308819,"4-Acetoxy-3-pentyltetrahydropyran, (3R,4S)-","[(3R,4S)-3-pentyloxan-4-yl] acetate",C12H22O3,214.305,2
Q27896538,102233,"5alpha-Cholestane-3,6-dione","(5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione",C27H44O2,400.647,8
Q27896539,13005,"2-Methyl-1,3-cyclopentanedione","2-methylcyclopentane-1,3-dione",C6H8O2,112.128,0
Q27896542,397887,Lmp-744 hydrochloride,N/A,C24H25ClN2O7,488.921,0
Q27896540,147256,"2-((3beta,5R,6beta)-3-(Acetyloxy)cholestano(5,6-B)azirin-1'(6H)-YL)-1H-isoindole-1,3(2H)-dione",N/A,C37H52N2O4,588.833,10
Q27896541,45115650,"1-Nitroso-4-acetyl-3,5-dimethylpiperazine, cis-","1-[(2S,6R)-2,6-dimethyl-4-nitrosopiperazin-1-yl]ethanone",C8H15N3O2,185.227,2
Q27896546,89568918,2-Decyl-4-(4-sulfophenoxy)benzenesulfonic acid,2-decyl-4-(4-sulfophenoxy)benzenesulfonic acid,C22H30O7S2,470.595,0
Q27896544,12303924,delta7-Stigmasterol,"(3S,9S,10R,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol",C29H46O,410.686,8
Q27896545,12312582,Lysergine,"(6aR,9R)-7,9-dimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline",C16H18N2,238.334,2
Q27896550,14022175,"(4R,5R)-4,5-Dihydrobenzo[k]fluoranthene-4,5-diol","(4R,5R)-4,5-dihydrobenzo[k]fluoranthene-4,5-diol",C20H14O2,286.33,2
Q27896549,102371034,D-Galactoascorbic acid,"(2R)-2-[(1S,2R)-1,2,3-trihydroxypropyl]-2H-furan-5-one",C7H10O5,174.152,3
Q27896554,11858820,Dehydroindigo,2-(3-oxoindol-2-yl)indol-3-one,C16H8N2O2,260.252,0
Q27896558,11807560,Ambreinolide,"(4aR,6aS,10aS,10bR)-4a,7,7,10a-tetramethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-one",C17H28O2,264.409,4
Q27896556,146659,"trans-Dibenz(a,j)acridine-5,6-dihydrodiol",N/A,C21H15NO2,313.356,2
Q27896557,147257,"3-Chloro-5-cholestano(5,6-B)-N-phthalimidoaziridine, (3beta, 5alpha)-",N/A,C35H49ClN2O2,565.239,10
Q27896562,122173916,Anhydrovitamin A2,"(4Z)-4-[(2E,4E,6E)-3,7-dimethylnona-2,4,6,8-tetraenylidene]-3,5,5-trimethylcyclohex-2-en-1-ol",C20H28O,284.443,0
Q27896563,147243,"6-Methoxy-trans-1,2,3,4,4a,10a-hexahydrophenanthrene","(4aR,10aS)-6-methoxy-1,2,3,4,4a,10a-hexahydrophenanthrene",C15H18O,214.308,2
Q27896560,14063607,MIDVMZDXCQOCLI-PCGAWMICSA-N,"(1aS,1bR,5aR,9bR)-8-bromo-1a,1b,2,3,4,5,5a,9b-octahydrophenanthro[9,10-b]oxirene",C14H15BrO,279.177,4
Q27896566,101286272,Cromadurine,N/A,C16H23NO5,309.362,2
Q27896567,3477618,"Potassium (1,1-dioxothiolan-3-yl)-dithiocarbamate","potassium;N-(1,1-dioxothiolan-3-yl)carbamodithioate",C5H8KNO2S3,249.402,0
Q27896564,10405997,Ilicicolin B,"2,4-dihydroxy-6-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzaldehyde",C23H32O3,356.506,0
Q27896570,146658,"3,4-Dihydrodibenz(a,j)acridine-3,4-diol, trans-(+/-)-",N/A,C21H15NO2,313.356,2
Q27896571,176098,9beta-Hydroxymerulidial,"(1aR,2R,2aS,6aR)-2,2a-dihydroxy-1a,4,4-trimethyl-1,2,3,5-tetrahydrocyclopropa[f]indene-6,6a-dicarbaldehyde",C15H20O4,264.321,4
Q27896568,86308818,"4-Acetoxy-3-pentyltetrahydropyran, (3S,4S)-","[(3S,4S)-3-pentyloxan-4-yl] acetate",C12H22O3,214.305,2
Q27896569,122173824,UKFPMQBEGLZQGM-IPOQPSJVSA-N,"[(1aR,2R,2aR,6aR)-6,6a-diformyl-2a-hydroxy-1a,4,4-trimethyl-1,2,3,5-tetrahydrocyclopropa[f]inden-2-yl] hydrogen carbonate",C16H20O6,308.33,4
Q27896575,163791,Acetylmerulidial,"[(1aR,5aR,6S,6aR)-1a,2-diformyl-4,4,6a-trimethyl-3,5,5a,6-tetrahydro-1H-cyclopropa[f]inden-6-yl] acetate",C17H22O4,290.359,4
Q27896572,115072,Merulidial,"(1aR,5aR,6S,6aR)-6-hydroxy-4,4,6a-trimethyl-3,5,5a,6-tetrahydro-1H-cyclopropa[f]indene-1a,2-dicarbaldehyde",C15H20O3,248.322,4
Q27896576,101324908,Monochaetin,"(6aR,9S,9aS)-3,6a-dimethyl-9-(2-methylbutanoyl)-9,9a-dihydrofuro[2,3-h]isochromene-6,8-dione",C18H20O5,316.353,3
Q27896577,86308817,"4-Acetoxy-3-pentyltetrahydropyran, (3R,4R)-","[(3R,4R)-3-pentyloxan-4-yl] acetate",C12H22O3,214.305,2
Q27896580,146627,Cyclodiol,N/A,C20H26O2,298.426,3
Q27896584,15967764,Cyclotriol,N/A,C20H26O3,314.425,6
Q27896585,71679076,Aluminum;oxygen(2-);fluoride,aluminum;oxygen(2-);fluoride,AlFO,61.979,0
Q27896588,5458821,Neoaspergillic acid,"1-hydroxy-3,6-bis(2-methylpropyl)pyrazin-2-one",C12H20N2O2,224.304,0
Q27896589,102403689,Cotylenin B,N/A,C33H51ClO11,659.21,14
Q27896595,13747841,Campesteryl palmitate,"[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hexadecanoate",C44H78O2,639.106,9
Q27896596,122173988,Nalmefene 3-glucuronide,"(2S,3S,4S,5R,6S)-6-[[(4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-7-methylidene-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid",C27H31NO9,513.543,9
Q27896597,5317419,Fumarprotocetraric acid,"4-[[(E)-3-carboxyprop-2-enoyl]oxymethyl]-10-formyl-3,9-dihydroxy-1,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid",C22H16O12,472.358,0
Q27896602,33023,Tripropylene glycol monomethyl ether,2-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-1-ol,C10H22O4,206.282,0
Q27896600,547896,1-[1-(2-Methoxypropoxy)propan-2-yloxy]propan-2-ol,1-[1-(2-methoxypropoxy)propan-2-yloxy]propan-2-ol,C10H22O4,206.282,0
Q27896607,3044557,"Propanol, [(butoxymethylethoxy)methylethoxy]-",1-[1-(1-butoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol,C13H28O4,248.363,0
Q27896604,122173949,Olmutinib dihydrochloride monohydrate,"N-[3-[2-[4-(4-methylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;hydrate;dihydrochloride",C26H30Cl2N6O3S,577.525,0
Q27896605,122173987,Tetrodoic acid,"(2S)-2-[(4R,4aR,5R,6S,7S,8S,8aR)-2-amino-4,5,6,7,8-pentahydroxy-6-(hydroxymethyl)-1,4,4a,5,7,8-hexahydroquinazolin-8a-yl]-2-hydroxyacetic acid",C11H19N3O9,337.285,8
Q27896611,70699302,Campesteryl stearate,"[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] octadecanoate",C46H82O2,667.16,9
Q27896609,11217427,Fusalanipyrone,6-[(Z)-but-2-en-2-yl]-3-methylpyran-2-one,C10H12O2,164.204,0
Q27896614,69167708,Campesteryl oleate,"[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-octadec-9-enoate",C46H80O2,665.144,9
Q27896615,95887,N4-Acetylsulfaquinoxaline,N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]acetamide,C16H14N4O3S,342.373,0
Q27896617,16213711,1-Butyl-1-methylpyrrolidinium dicyanamide,1-butyl-1-methylpyrrolidin-1-ium;cyanoiminomethylideneazanide,C11H20N4,208.309,0
Q27896622,70696431,Dihydroerdin,"2-(3,5-dichloro-2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-methoxybenzoic acid",C16H12Cl2O7,387.165,0
Q27896623,68531691,Stigmasteryl oleate,"[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-octadec-9-enoate",C47H80O2,677.155,9
Q27896621,36561,"O,O-Di-sec-butyl hydrogen dithiophosphate",di(butan-2-yloxy)-sulfanyl-sulfanylidene-$l^{5}-phosphane,C8H19O2PS2,242.332,0
Q27896627,567075,Diethyl thapsate,diethyl hexadecanedioate,C20H38O4,342.52,0
Q27896625,71444684,Diethyl sulfonyldicarbamate,ethyl N-(ethoxycarbonylsulfamoyl)carbamate,C6H12N2O6S,240.23,0
Q27896631,13828724,beta-Sitosteryl oleate,"[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-octadec-9-enoate",C47H82O2,679.171,9
Q27896628,13828710,beta-Sitosteryl stearate,"[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] octadecanoate",C47H84O2,681.187,9
Q27896635,87467845,SNJKWPXWLBQHJA-UHFFFAOYSA-N,bis[1-[1-(1-tetradecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl] hexanedioate,C52H102O10,887.378,0
Q27896632,101306705,Fusamarin,"(3R)-5-butyl-6,8-dihydroxy-3-[(E)-pent-3-enyl]-3,4-dihydroisochromen-1-one",C18H24O4,304.386,1
Q27896637,9852570,beta-Sitosteryl palmitate,"[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hexadecanoate",C45H80O2,653.133,9
Q27896643,90657428,Desoxyphyllostin,"(1S,6R)-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione",C7H6O3,138.122,2
Q27896640,612831,Dihydrogeodin,"methyl 2-(3,5-dichloro-2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-methoxybenzoate",C17H14Cl2O7,401.192,0
Q27896641,21717951,Rishitinone,"(3S,4aS,5R,7S,8aS)-7-hydroxy-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one",C15H24O2,236.355,5
Q27896647,101305698,Valinotricin,[(2S)-2-formamido-3-methylbutyl] (2S)-2-formamido-3-methylbutanoate,C12H22N2O4,258.318,2
Q27896644,114513,Desmethyltrichlorfon,"methoxy-(2,2,2-trichloro-1-hydroxyethyl)phosphinic acid",C3H6Cl3O4P,243.401,0
Q27896645,11958189,Cladospolide B,"(3Z,5S,6S,12S)-5,6-dihydroxy-12-methyl-1-oxacyclododec-3-en-2-one",C12H20O4,228.288,3
Q27896651,54061871,Erythritol tetrastearate,"[(2R,3S)-2,3,4-tri(octadecanoyloxy)butyl] octadecanoate",C76H146O8,1187.996,2
Q27896648,10659547,"S,S'-1,2-Ethanediylbis-L-cysteine",(2R)-2-amino-3-[2-[(2R)-2-amino-2-carboxyethyl]sulfanylethylsulfanyl]propanoic acid,C8H16N2O4S2,268.346,2
Q27896655,102571616,3'-N'-Acetylfusarochromanone,"N-[4-(5-amino-2,2-dimethyl-4-oxo-3H-chromen-6-yl)-1-hydroxy-4-oxobutan-2-yl]acetamide",C17H22N2O5,334.372,0
Q27896652,91723168,Trimethylsilyl methyl laurate,trimethylsilylmethyl dodecanoate,C16H34O2Si,286.531,0
Q27896653,89258670,Hesperidin chalcone,"(E)-1-[2,6-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one",C28H34O15,610.565,10
Q27896658,24840413,Menadiol dipropionate,(3-methyl-4-propanoyloxynaphthalen-1-yl) propanoate,C17H18O4,286.327,0
Q27896656,122305,3-Deoxy-3-fluorodextrose,"(2S,3S,4R,5R)-3-fluoro-2,4,5,6-tetrahydroxyhexanal",C6H11FO5,182.147,4
Q27896657,165054,"3,6-Octanedione","octane-3,6-dione",C8H14O2,142.198,0
Q27896663,122164780,Potassium triiodide monohydrate,potassium;triiodide;hydrate,H2I3KO,437.827,0
Q27896660,23676148,Sodium elaidate,sodium;(E)-octadec-9-enoate,C18H33NaO2,304.45,0
Q27896661,108985,1-L-Alanyl-D-proline,H-Ala-D-Pro-OH,C8H14N2O3,186.211,2
Q27896666,13710768,Methyl neoabietate,"methyl (1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate",C21H32O2,316.485,4
Q27896667,9913401,alpha-Tocopheryloxyacetic acid,"2-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]acetic acid",C31H52O4,488.753,3
Q27896664,95036357,"2,3-Dichloro-1,1,1,2,3-pentafluoropropane, (R,S)-(+/-)-","(2S,3R)-2,3-dichloro-1,1,1,2,3-pentafluoropropane",C3HCl2F5,202.933,2
Q27896665,95036356,"(2S,3S)-2,3-Dichloro-1,1,1,2,3-pentafluoropropane","(2S,3S)-2,3-dichloro-1,1,1,2,3-pentafluoropropane",C3HCl2F5,202.933,2
Q27896670,91752126,Bis(4-methyl-2-pentyl) azelate,bis(4-methylpentan-2-yl) nonanedioate,C21H40O4,356.547,0
Q27896671,11095937,Methyl 6-chloro-6-deoxy-alpha-D-glucopyranoside,"(2S,3S,4S,5R,6S)-2-(chloromethyl)-6-methoxyoxane-3,4,5-triol",C7H13ClO5,212.626,5
Q27896674,23184846,Calcium lauryl sulfate,calcium;dodecyl sulfate,C24H50CaO8S2,570.854,0
Q27896675,122173905,Oxygen(2-);zirconium(4+);dichloride;hexahydrate,oxygen(2-);zirconium(4+);dichloride;hexahydrate,Cl2H12O7Zr,286.213,0
Q27896672,12305299,Curvulol,"(3S)-6-methoxy-3-methyl-1,3-dihydro-2-benzofuran-4,5-diol",C10H12O4,196.202,1
Q27896678,53438726,Chromoxane red B,"9-(2-chlorophenyl)-3-hydroxy-4,5-dimethyl-6-oxoxanthene-2,7-dicarboxylic acid",C23H15ClO7,438.816,0
Q27896679,24066885,Dechlorogriseofulvin,"(2S,5'R)-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione",C17H18O6,318.325,2
Q27896677,6429099,"Methyl myrtenate, (+/-)-","methyl 6,6-dimethylbicyclo[3.1.1]hept-3-ene-4-carboxylate",C11H16O2,180.247,0
Q27896680,16217067,Berbamine dihydrochloride,N/A,C37H42Cl2N2O6,681.651,2
Q27896690,90474583,Multicolanic acid,(2E)-2-(3-hydroxy-5-oxo-4-pentylfuran-2-ylidene)acetic acid,C11H14O5,226.228,0
Q27896691,11869565,Desoxycorticosterone phenylpropionate,"[2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 3-phenylpropanoate",C30H38O4,462.63,6
Q27896688,13633096,"N-(2-Methoxy-1-methylethyl)-2,4-dimethyl-3-thiophenamine, (S)-","N-[(2S)-1-methoxypropan-2-yl]-2,4-dimethylthiophen-3-amine",C10H17NOS,199.312,1
Q27896694,71390224,Morpholine nitrite,morpholine;nitrous acid,C4H10N2O3,134.135,0
Q27896692,11020642,Cladospolide A,"(3E,5R,6S,12R)-5,6-dihydroxy-12-methyl-1-oxacyclododec-3-en-2-one",C12H20O4,228.288,3
Q27896693,6553885,Isopulegol,"(1S,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol",C10H18O,154.253,3
Q27896698,11069533,Methyl chenodeoxycholate,"methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate",C25H42O4,406.607,10
Q27896697,11048566,3-Phenyl-N-(3-phenyl-N-((phenylmethoxy)carbonyl)-D-alanyl)-L-alanine,(2S)-3-phenyl-2-[[(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid,C26H26N2O5,446.503,2
Q27896702,15481347,Uvidin C,"(1aS,2S,2aS,6aS,7S,7aR)-7-(hydroxymethyl)-3,3,6a,7a-tetramethyl-2,2a,4,5,6,7-hexahydro-1aH-naphtho[2,3-b]oxiren-2-ol",C15H26O3,254.37,6
Q27896703,91716158,"1,10-Decanediyl dilaurate",10-dodecanoyloxydecyl dodecanoate,C34H66O4,538.898,0
Q27896701,14513254,Ferric tartrate,"(2R,3R)-2,3-dihydroxybutanedioate;iron(3+)",C12H12Fe2O18,555.9,6
Q27896706,103182,"2,4-Xylyl 3,5-xylyl disulfide","1-[(2,4-dimethylphenyl)disulfanyl]-3,5-dimethylbenzene",C16H18S2,274.44,0
Q27896707,76660,7-Methoxy-1H-indole,7-methoxy-1H-indole,C9H9NO,147.177,0
Q27896704,13710755,Methyl levopimarate,"methyl (1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,9,10,10a-octahydrophenanthrene-1-carboxylate",C21H32O2,316.485,4
Q27896705,5364517,"3-Hepten-1-OL, (3Z)-",(Z)-hept-3-en-1-ol,C7H14O,114.188,0
Q27896714,6995511,"2-Hydroxyhexanoic acid, (2R)-",(2R)-2-hydroxyhexanoic acid,C6H12O3,132.159,1
Q27896715,5458277,Antibiotic 593A,"(3S,6S)-3,6-bis[(2R,5S)-5-chloropiperidin-2-yl]piperazine-2,5-dione",C14H22Cl2N4O2,349.256,6
Q27896713,9816106,"O,N-Didesmethyltramadol","3-[(1R,2R)-1-hydroxy-2-(methylaminomethyl)cyclohexyl]phenol",C14H21NO2,235.327,2
Q27896716,6337038,Indium IN-116,indium-116,In,115.905,0
Q27896722,54173715,"11-Nitro-dibenz(C,F)indeno(1,2,3-IJ)(2,7)naphthyridine",N/A,C22H11N3O2,349.349,0
Q27896723,130792,"4,5,5a,6,7,8-Hexahydro-6-methylthiazolo(4,5-f)quinolin-2-amine","6-methyl-5,5a,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-f]quinolin-2-amine",C11H15N3S,221.322,0
Q27896720,614006,"Di-O-methylcurvularin, (+/-)-","13,15-dimethoxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione",C18H24O5,320.385,0
Q27896726,85038675,N-Butyl-N'-hydroxy-N-nitroso-2-oxoethanimidamide,N-butyl-N'-hydroxy-N-nitroso-2-oxoethanimidamide,C6H11N3O3,173.172,0
Q27896724,6999758,"2-Hydroxyhexanoic acid, (2S)-",(2S)-2-hydroxyhexanoic acid,C6H12O3,132.159,1
Q27896725,122173977,"3-Acetoxy-15-hydroxy-12,13-epoxytrichothec-9-EN-8-one, (3alpha)-",N/A,C17H22O6,322.357,6
Q27896730,10044420,"3,4-Diacetoxyscirpenol",N/A,C19H26O7,366.41,7
Q27896731,12293943,Penicillin V beta-sulfoxide,"(2S,4S,5R,6R)-3,3-dimethyl-4,7-dioxo-6-[(2-phenoxyacetyl)amino]-4$l^{4}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",C16H18N2O6S,366.388,4
Q27896728,154800,"3,3-Dichloro-4-(dichloromethylene)-2,5-pyrrolidinedione","3,3-dichloro-4-(dichloromethylidene)pyrrolidine-2,5-dione",C5HCl4NO2,248.868,0
Q27896732,91421760,4-(2-Methylbutyl)-o-cresol,2-methyl-4-(2-methylbutyl)phenol,C12H18O,178.275,0
Q27896737,122173941,Choline ascorbate,"(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethanolate;2-hydroxyethyl(trimethyl)azanium",C11H21NO7,279.289,2
Q27896742,9971931,"Pristanic acid, (2S,6R,10R)-","(2S,6R,10R)-2,6,10,14-tetramethylpentadecanoic acid",C19H38O2,298.511,3
Q27896743,10380830,"Phytanic acid, (3R,7R,11R)-","(3R,7R,11R)-3,7,11,15-tetramethylhexadecanoic acid",C20H40O2,312.538,3
Q27896746,10402446,"Pristanic acid, (2R,6R,10R)-","(2R,6R,10R)-2,6,10,14-tetramethylpentadecanoic acid",C19H38O2,298.511,3
Q27896747,14498,"1,2-Dimethylcyclopentane, cis-","(1R,2S)-1,2-dimethylcyclopentane",C7H14,98.189,2
Q27896750,9972843,"Phytanic acid, (3S,7R,11R)-","(3S,7R,11R)-3,7,11,15-tetramethylhexadecanoic acid",C20H40O2,312.538,3
Q27896751,53769525,Penicillin V alpha-sulfoxide,"(2S,4R,5R,6R)-3,3-dimethyl-4,7-dioxo-6-[(2-phenoxyacetyl)amino]-4$l^{4}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",C16H18N2O6S,366.388,4
Q27896748,252359,"trans-1,2-Dimethylcyclopentane","(1R,2R)-1,2-dimethylcyclopentane",C7H14,98.189,2
Q27896755,119577,"N-Acetyl-S-(1,2,2-trichlorovinyl)-L-cysteine","(2R)-2-acetamido-3-(1,2,2-trichloroethenylsulfanyl)propanoic acid",C7H8Cl3NO3S,292.555,1
Q27896753,86346375,Methyl-O-D-galacturonate,"methyl (2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate",C7H12O7,208.166,4
Q27896767,53319962,Cyclopiamine A,N/A,C26H33N3O5,467.566,4
Q27896764,101293625,Uvidin D,"(2R,3R,4S,4aR,8aS)-2-hydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-3,4,5,6,7,8a-hexahydro-2H-naphthalen-1-one",C15H26O3,254.37,5
Q27896765,13710758,"Palustric acid, methyl ester","methyl (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylate",C21H32O2,316.485,3
Q27896769,5375849,4-Methylchalcone,(E)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one,C16H14O,222.287,0
Q27896774,533740,beta-Monoethyl itaconate,4-ethoxy-2-methylidene-4-oxobutanoic acid,C7H10O4,158.153,0
Q27896773,12914554,Methyl-penicillanate,"methyl (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",C9H13NO3S,215.267,2
Q27896778,9804937,CFUCLSORVLFUGF-FQEVSTJZSA-N,6-[4-[2-[[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide,C27H30N4O4,474.561,1
Q27896779,90477754,Fonsecinone C,"9-(2,5-dihydroxy-6,8-dimethoxy-2-methyl-4-oxo-3H-benzo[g]chromen-10-yl)-5-hydroxy-8,10-dimethoxy-2-methylbenzo[h]chromen-4-one",C32H28O11,588.565,0
Q27896777,23708193,GBLJULUMBNYFAK-PDFLYTMFSA-M,"sodium;(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[1-(4-hydroxyphenyl)-3-oxo-2-benzofuran-1-yl]phenoxy]oxane-2-carboxylate",C26H21NaO10,516.434,5
Q27896783,3083985,Undulatine,N/A,C18H21NO5,331.368,5
Q27896780,94005050,QDOSIDVGVRAXSE-GWULVECFSA-N,"(2Z,4E,6E)-7-[(2S,7aR)-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl]-3-methylocta-2,4,6-trienoic acid",C20H28O3,316.441,2
Q27896786,596923,"1-(2,6,6-Trimethyl-1-cyclohexen-1-YL)butane-1,3-dione","1-(2,6,6-trimethylcyclohexen-1-yl)butane-1,3-dione",C13H20O2,208.301,0
Q27896787,18949956,Nitrosocyanamide,nitrosocyanamide,CHN3O,71.039,0
Q27896784,86749920,Sodium arabinate,"sodium;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanoate",C5H9NaO6,188.111,3
Q27896785,20055994,Ganolucidic acid B,"(6R)-6-[(3S,5R,10S,13R,14R,15S,17R)-3,15-dihydroxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid",C30H46O6,502.692,8
Q27896790,8116,Ethylene glycol allyl ether,2-prop-2-enoxyethanol,C5H10O2,102.133,0
Q27896791,54691414,Sodium erythorbate,"sodium;(2R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-olate;hydrate",C6H7O6Na?H2O,216.121,2
Q27896788,15698997,"Demethoxyaflatoxin B2, (+/-)-",N/A,C16H12O5,284.267,2
Q27896794,11138655,Occidentalol,"2-[(2R,4aR,8aS)-4a,8-dimethyl-2,3,4,8a-tetrahydro-1H-naphthalen-2-yl]propan-2-ol",C15H24O,220.356,3
Q27896792,9872365,Oxyskyrin,"2,4,5-trihydroxy-7-methyl-1-[2,4,5-trihydroxy-7-(hydroxymethyl)-9,10-dioxoanthracen-1-yl]anthracene-9,10-dione",C30H18O11,554.463,0
Q27896798,22221,"BENZAMIDE, 3,4-DIETHOXY-N-(p-(2-(METHYLAMINO)ETHOXY)BENZYL)-","3,4-diethoxy-N-[[4-[2-(methylamino)ethoxy]phenyl]methyl]benzamide",C21H28N2O4,372.465,0
Q27896799,24834666,(E)-4'-Sec-Butyl-4-nitrostilbene,1-butan-2-yl-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene,C18H19NO2,281.355,0
Q27896796,12315451,"Sedanolide, (3R,3AS)-","(3R,3aS)-3-butyl-3a,4,5,6-tetrahydro-3H-2-benzofuran-1-one",C12H18O2,194.274,2
Q27896797,13918840,"Norchanoclavine I, (-)-","(E)-3-[(4R,5R)-4-amino-1,3,4,5-tetrahydrobenzo[cd]indol-5-yl]-2-methylprop-2-en-1-ol",C15H18N2O,242.322,2
Q27896803,5745210,Isatinecine,"(1R,4S,8R)-7-(hydroxymethyl)-4-oxido-2,3,5,8-tetrahydro-1H-pyrrolizin-4-ium-1-ol",C8H13NO3,171.196,3
Q27896800,12315453,"Sedanolide, (3S,3AS)-","(3S,3aS)-3-butyl-3a,4,5,6-tetrahydro-3H-2-benzofuran-1-one",C12H18O2,194.274,2
Q27896801,44147116,Tri(2-dodecoxyethyl) phosphate,tris(2-dodecoxyethyl) phosphate,C42H87O7P,735.125,0
Q27896806,101699606,O-Methylaversin,N/A,C21H18O7,382.368,2
Q27896805,12315452,"Sedanolide, (3R,3AR)-","(3R,3aR)-3-butyl-3a,4,5,6-tetrahydro-3H-2-benzofuran-1-one",C12H18O2,194.274,2
Q27896810,13932326,"2,4,5-T Dimethylamine","N-methylmethanamine;2-(2,4,5-trichlorophenoxy)acetic acid",C10H12Cl3NO3,300.56,0
Q27896809,165307,"n,n'-Bis[4-(4,5-dihydro-1h-imidazol-2-yl)phenyl]-2-nitrobenzene-1,4-dicarboxamide dihydrochloride","1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-nitrobenzene-1,4-dicarboxamide;dihydrochloride",C26H25Cl2N7O4,570.431,0
Q27896815,101216970,SQMDVANNTDBLCG-UIOOFZCWSA-N,"(6S,8S)-2,2,4,4,6,8-hexamethyl-6,8-diphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane",C18H28O4Si4,420.758,2
Q27896812,91809639,16-Anhydrogitoxigenin,"3-[(3S,5R,8R,9S,10S,13R,14S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one",C23H32O4,372.505,7
Q27896813,101649339,Trichoverrol A,N/A,C23H32O7,420.502,8
Q27896816,6440552,Trichoverrol B,N/A,C23H32O7,420.502,8
Q27896817,24721422,"Mitorubrinic acid, (S)-","(E)-3-[(7S)-7-(2,4-dihydroxy-6-methylbenzoyl)oxy-7-methyl-6,8-dioxoisochromen-3-yl]prop-2-enoic acid",C21H16O9,412.35,1
Q27896820,85539175,"4-Oxo-4-(2,3,4-trichloroanilino)butanoic acid","4-oxo-4-(2,3,4-trichloroanilino)butanoic acid",C10H8Cl3NO3,296.528,0
Q27896824,14443942,QDOSIDVGVRAXSE-JHTCMBESSA-N,"(2E,4E,6E)-7-[(2R,7aR)-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl]-3-methylocta-2,4,6-trienoic acid",C20H28O3,316.441,2
Q27896830,14443943,"5,8-Epoxytretinoin, R,S-(+/-)-","(2E,4E,6E)-7-[(2S,7aR)-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl]-3-methylocta-2,4,6-trienoic acid",C20H28O3,316.441,2
Q27896831,94005051,QDOSIDVGVRAXSE-UMLVQPASSA-N,"(2Z,4E,6E)-7-[(2R,7aR)-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl]-3-methylocta-2,4,6-trienoic acid",C20H28O3,316.441,2
Q27896828,122173862,Ammonium ferric tartrate,"azanium;(2R,3R)-2,3-dihydroxybutanedioate;iron(3+)",C8H12FeNO12,370.024,4
Q27896829,22788164,"Luteinizing hormone-releasing hormone, (D-phe(sup 2))-(2-ME-ala(sup 6))-",H-Pyr-D-Phe-Trp-Ser-Tyr-Aib-Leu-Arg-Pro-Gly-NH2,C60H81N15O13,1220.4,8
Q27896835,13243563,Methyl isolysergate,"methyl (6aR,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate",C17H18N2O2,282.343,2
Q27896833,122173967,"Luteinizing hormone-releasing hormone, (D-phe(sup 2)-D-arg(sup 6))-",H-Pyr-D-Phe-Trp-Ser-Tyr-D-Arg-Leu-Arg-Pro-Gly-NH2,C62H86N18O13,1291.483,9
Q27896839,54522949,"Luteinizing hormone-releasing hormone, 6-(2-methylalanine)-",H-Pyr-His-Trp-Ser-Tyr-Aib-Leu-Arg-Pro-Gly-NH2,C57H79N17O13,1210.365,8
Q27896836,20841657,Trichothecolone acetate,N/A,C17H22O5,306.358,6
Q27896840,122173825,"Luteinizing hormone-releasing hormone, (D-P-F-phe(sup 2)-D-ala(sup 6))-",H-Pyr-D-Phe(4-F)-Trp-Ser-Tyr-D-Ala-Leu-Arg-Pro-Gly-NH2,C59H78FN15O13,1224.363,9
Q27896846,88746973,Manganese ricinoleate,"(Z,12R)-12-hydroxyoctadec-9-enoate;manganese(2+)",C36H66MnO6,649.856,2
Q27896844,122173869,"Paramethasone-17,21-orthovalerate","(4R,6'S,8'S,9'S,10'R,11'S,13'S,14'S,16'R)-2-butyl-6'-fluoro-2,11'-dihydroxy-10',13',16'-trimethylspiro[1,3-dioxane-4,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-3',5-dione",C27H37FO6,476.585,9
Q27896845,83637,Aluminum tetrabromophthalate,"dialuminum;3,4,5,6-tetrabromophthalate",C24Al2Br12O12,1493.063,0
Q27896850,11084383,"4-Chlorophenyl methyl sulfoxide, (S)-",1-chloro-4-[(S)-methylsulfinyl]benzene,C7H7ClOS,174.642,1
Q27896854,101415789,N-Deoxymutaaspergillic acid,6-(2-hydroxypropan-2-yl)-3-(2-methylpropyl)-1H-pyrazin-2-one,C11H18N2O2,210.277,0
Q27896855,96796,Alanyl-D-alanine,H-Ala-D-Ala-OH,C6H12N2O3,160.173,2
Q27896852,5458248,Deoxyhydroxyaspergillic acid,6-(2-hydroxybutan-2-yl)-3-(2-methylpropyl)-1H-pyrazin-2-one,C12H20N2O2,224.304,0
Q27896858,10285858,Deoxymutaaspergillic acid,3-(2-methylpropyl)-6-propan-2-yl-1H-pyrazin-2-one,C11H18N2O,194.278,0
Q27896859,10448149,"3-(Dimethylamino)-1-(2,2-diphosphonoethyl)pyrazinium inner salt",[2-[3-(dimethylamino)pyrazin-1-ium-1-yl]-1-phosphonoethyl]-hydroxyphosphinate,C8H15N3O6P2,311.171,0
Q27896856,135401,Isopropyl 2-chloro-4-fluoro-5-[2-methoxy-6-oxo-4-pentafluoroethyl-1(6H)-pyrimidinyl]-benzoate,"propan-2-yl 2-chloro-4-fluoro-5-[2-methoxy-6-oxo-4-(1,1,2,2,2-pentafluoroethyl)pyrimidin-1-yl]benzoate",C17H13ClF6N2O4,458.741,0
Q27896857,101417836,Deoxyradicinol,"(2S,4R)-4-hydroxy-2-methyl-7-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one",C12H14O4,222.24,2
Q27896865,85842256,Quinoline sulfate,quinoline;sulfuric acid,C18H16N2O4S,356.396,0
Q27896870,458752,2-Amino-N-phenylacetamide hydrochloride,2-amino-N-phenylacetamide;hydrochloride,C8H11ClN2O,186.639,0
Q27896871,101036748,Deoxyerythrostominone,"(2R)-5,10-dihydroxy-8-methoxy-2-(2-oxopropyl)-3,4-dihydro-2H-benzo[g]chromene-6,9-dione",C17H16O7,332.308,1
Q27896869,22072706,Manganese palmitate,hexadecanoate;manganese(2+),C32H62MnO4,565.782,0
Q27896874,71437500,Deoxypatulinic acid,"2-(4-oxo-2,3-dihydropyran-5-yl)acetic acid",C7H8O4,156.137,0
Q27896875,22072697,Ferric palmitate,hexadecanoate;iron(3+),C48H93FeO6,822.111,0
Q27896873,101699426,Dehydrocommersonine,N/A,C51H83NO21,1046.211,31
Q27896878,189448,"Butanoic acid, 3-((5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrophenyl)amino)-, methyl ester",methyl 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitroanilino]butanoate,C18H16ClF3N2O5,432.78,0
Q27896879,14730797,Dehydromaackiain,N/A,C16H10O5,282.251,0
Q27896876,208384,2-Amino-N-phenylacetamide,2-amino-N-phenylacetamide,C8H10N2O,150.181,0
Q27896882,14890912,Moniliphenone,"methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-3-hydroxybenzoate",C16H14O6,302.282,0
Q27896883,76186,"Bis(2,6-xylyl) disulfide","2-[(2,6-dimethylphenyl)disulfanyl]-1,3-dimethylbenzene",C16H18S2,274.44,0
Q27896880,6994134,"Dimethyl (2R,3R)-2,3-dichlorobutanedioate","dimethyl (2R,3R)-2,3-dichlorobutanedioate",C6H8Cl2O4,215.026,2
Q27896886,119228,3-Deoxy-D-manno-2-octulosonic acid,"(4R,5R,6R,7R)-4,5,6,7,8-pentahydroxy-2-oxooctanoic acid",C8H14O8,238.192,4
Q27896887,14185003,"Methyl beta-dimorphecolate, (+/-)-","methyl (10E,12E)-9-hydroxyoctadeca-10,12-dienoate",C19H34O3,310.478,0
Q27896884,123871,L-Topaquinone,"(2S)-2-amino-3-(6-hydroxy-3,4-dioxocyclohexa-1,5-dien-1-yl)propanoic acid",C9H9NO5,211.173,1
Q27896891,12542317,"2-Chloro-1,3-cyclopentadiene","2-chlorocyclopenta-1,3-diene",C5H5Cl,100.545,0
Q27896892,14122973,Methyl cetoleate,methyl (Z)-docos-11-enoate,C23H44O2,352.603,0
Q27896893,122173929,"Luteinizing hormone-releasing hormone, (D-phe(sup 2)-phe(sup 3)-D-phe(sup 6))-",H-Pyr-D-Phe-Phe-Ser-Tyr-D-Phe-Leu-Arg-Pro-Gly-NH2,C63H82N14O13,1243.434,9
Q27896898,23247891,Lucidenic acid D,"(4R)-4-[(5R,10S,12S,13R,14R,17R)-12-acetyloxy-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid",C29H38O8,514.615,7
Q27896899,90678096,"Luteinizing hormone-releasing hormone, (D-phe(sup 2)-D-phe(sup 6))-",H-Pyr-D-Phe-Trp-Ser-Tyr-D-Phe-Leu-Arg-Pro-Gly-NH2,C65H83N15O13,1282.471,9
Q27896896,13626,"4-Chlorophenyl methyl sulfoxide, (S)-",1-chloro-4-methylsulfinylbenzene,C7H7ClOS,174.642,0
Q27896897,22833364,"Phosphorodithioic acid, mixed O,O-bis(sec-Bu and 1,3-dimethylbutyl) esters, ZINC salts",zinc;butan-2-yloxy-(4-methylpentan-2-yloxy)-sulfanylidene-sulfido-$l^{5}-phosphane,C20H44O4P2S4Zn,604.136,0
Q27896902,14122980,"Methyl 7,10,13,16,19-docosapentaenoate, (7Z,10Z,13Z,16Z,19Z)-","methyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate",C23H36O2,344.539,0
Q27896900,122173855,"Luteinizing hormone-releasing hormone, (D-phe(sup 2)-D-(PH)gly(sup 6))-",H-Pyr-D-Phe-Trp-Ser-Tyr-D-Phg-Leu-Arg-Pro-Gly-NH2,C64H81N15O13,1268.444,9
Q27896901,6149093,"Methyl 9,12-octadecadienoate, (9Z,12E)-","methyl (9Z,12E)-octadeca-9,12-dienoate",C19H34O2,294.479,0
Q27896906,122173820,Atelocantel,"(E)-4,4-difluoro-N-[2-[(2-methoxypyridin-4-yl)amino]ethyl]pent-2-enamide",C13H17F2N3O2,285.295,0
Q27896907,11095136,"4-Chlorophenyl methyl sulfoxide, (R)-",1-chloro-4-[(R)-methylsulfinyl]benzene,C7H7ClOS,174.642,1
Q27896910,122173880,"Fosmetpantotenate, (4S)-","methyl (2S)-2-[[[(3R)-3-hydroxy-4-[(3-methoxy-3-oxopropyl)amino]-2,2-dimethyl-4-oxobutoxy]-phenoxyphosphoryl]amino]propanoate",C20H31N2O9P,474.447,3
Q27896911,10093830,HT-2 Toxin,N/A,C22H32O8,424.49,8
Q27896908,54418975,Caprylyl-D-glucofuranoside,"(2R,3R,4R)-2-[(1R)-1,2-dihydroxyethyl]-5-octoxyoxolane-3,4-diol",C14H28O6,292.372,4
Q27896912,10015208,Colletochlorin D,"5-chloro-2,4-dihydroxy-6-methyl-3-(3-methylbut-2-enyl)benzaldehyde",C13H15ClO3,254.71,0
Q27896918,50937035,"Nidurufin, (+/-)-",N/A,C20H16O8,384.34,3
Q27896916,15726673,Funiculosic acid,"2-formyl-3,5-dihydroxy-4-methylbenzoic acid",C9H8O5,196.158,0
Q27896917,2723623,"trans-1,2-Dichlorocyclohexane","(1R,2R)-1,2-dichlorocyclohexane",C6H10Cl2,153.046,2
Q27896922,101316728,Cybullol,"(2S,4aS,5S,8aS)-5,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2,4a-diol",C12H22O2,198.306,4
Q27896926,101324722,Myrochromanone,"(2S)-6-methyl-2-[(E)-prop-1-enyl]-2,3-dihydrochromen-4-one",C13H14O2,202.253,1
Q27896927,122173938,"5-Butyryl-2,4-dihydroxyphenyl hydrogen sulfate","(5-butanoyl-2,4-dihydroxyphenyl) hydrogen sulfate",C10H12O7S,276.259,0
Q27896930,101306709,Fusicoccin C,N/A,C34H54O11,638.795,13
Q27896931,185689,"Occidentalol, (-)-","2-[(2S,4aS,8aR)-4a,8-dimethyl-2,3,4,8a-tetrahydro-1H-naphthalen-2-yl]propan-2-ol",C15H24O,220.356,3
Q27896928,15563754,Cyclo(L-alanyl-L-tryptophyl),"(3S,6S)-3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione",C14H15N3O2,257.293,2
Q27896934,23425628,Cryptoechinuline A,"(3Z)-3-[[2-(2-methylbut-3-en-2-yl)-6-(3-methylbut-2-enyl)-1H-indol-3-yl]methylidene]-6-methylidenepiperazine-2,5-dione",C24H27N3O2,389.499,0
Q27896935,5316141,Croweacin,"4-methoxy-5-prop-2-enyl-1,3-benzodioxole",C11H12O3,192.214,0
Q27896932,102428344,Myrochromanol,"(2S,4S)-6-methyl-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-chromen-4-ol",C13H16O2,204.269,2
Q27896939,44222875,Furosardonin A,"(5R,8aR,9S)-5,7,7-trimethyl-5,8,8a,9-tetrahydro-4H-azuleno[5,6-c]furan-9-ol",C15H20O2,232.323,3
Q27896936,12309992,Fuscofusarin,"7-(5,6-dihydroxy-8-methoxy-2-methyl-4-oxobenzo[g]chromen-7-yl)-5-hydroxy-8-methoxy-2-methylbenzo[g]chromene-4,6,9-trione",C30H20O11,556.479,0
Q27896942,25765905,Cryptoechinuline C,"(6Z)-6-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]piperazine-2,3,5-trione",C18H17N3O3,323.352,0
Q27896940,102117112,Cyathin B3,"(3aR,5aR,9R,10aR)-9-hydroxy-3a,5a-dimethyl-6-oxo-1-propan-2-yl-3,4,5,9,10,10a-hexahydro-2H-cyclohepta[e]indene-8-carbaldehyde",C20H28O3,316.441,4
Q27896946,21596370,Cyclonerotriol,"(E,6R)-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylhept-2-ene-1,6-diol",C15H28O3,256.386,4
Q27896944,102117111,Cyathin C3,"(3aS,5aR,9R,10aR)-9-hydroxy-3a,5a-dimethyl-6-oxo-1-propan-2-yl-5,9,10,10a-tetrahydro-4H-cyclohepta[e]indene-8-carbaldehyde",C20H26O3,314.425,4
Q27896950,11055190,Viocristin,"7,10-dihydroxy-5-methoxy-2-methylanthracene-1,4-dione",C16H12O5,284.267,0
Q27896951,101100,Gostatin,"3-amino-5-(carboxymethyl)-4-oxo-2,3-dihydro-1H-pyridine-6-carboxylic acid",C8H10N2O5,214.177,0
Q27896949,101306802,Tetrahydrogossypibetilene,N/A,C20H30O3,318.457,5
Q27896954,79350,N-Acetylimidazolidinone,1-acetylimidazolidin-2-one,C5H8N2O2,128.131,0
Q27896955,11277576,Colletodiol,"(3E,6R,9E,11R,12R,14R)-11,12-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione",C14H20O6,284.308,4
Q27896952,73852568,Fumaropimaric acid,N/A,C24H34O6,418.53,8
Q27896953,69636311,Hesperetin triacetate,"[(2S)-5-acetyloxy-2-(3-acetyloxy-4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl] acetate",C22H20O9,428.393,1
Q27896958,14274897,delta-Valerobetaine,5-(trimethylazaniumyl)pentanoate,C8H17NO2,159.229,0
Q27896956,92143153,Dehydroipomeamarone,"1-[(2S,5R)-5-(furan-3-yl)-2-methyloxolan-2-yl]-4-methylpent-3-en-2-one",C15H20O3,248.322,2
Q27896957,210328,D-Dehydroisoascorbic acid,"(5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-trione",C6H6O6,174.108,2
Q27896962,11679921,Mevalocidin,3-hydroxy-4-(hydroxymethyl)-3-methylpent-4-enoic acid,C7H12O4,160.169,0
Q27896963,10033875,Bmx-010,"manganese(3+);(20Z)-5,10,15-tris(1-ethylpyridin-1-ium-2-yl)-20-(1-ethylpyridin-2-ylidene)porphyrin-22-ide;pentachloride",C48H44Cl5MnN8,965.124,0
Q27896961,21675848,Fomentariol,"2,3,4,6-tetrahydroxy-1,7-bis[(E)-3-hydroxyprop-1-enyl]benzo[7]annulen-5-one",C17H16O7,332.308,0
Q27896966,44144767,(3-Ethoxypropyl)mercury Bromide,bromo(3-ethoxypropyl)mercury,C5H11BrHgO,367.638,0
Q27896965,11424269,Sodium selenosulfate,disodium;dioxido-oxo-selanylidene-$l^{6}-sulfane,Na2O3SSe,205.008,0
Q27896971,12309910,Fujenal,"(1R,4S,5R)-4-[(3aS,4S,7aR)-4,7a-dimethyl-1,3-dioxo-3a,5,6,7-tetrahydro-2-benzofuran-4-yl]-7-methylidenebicyclo[3.2.1]octane-5-carbaldehyde",C20H26O4,330.424,6
Q27896968,5376283,Methyl-lathodoratin,3-ethyl-5-hydroxy-7-methoxychromen-4-one,C12H12O4,220.224,0
Q27896969,103184,"2,5-Xylyl 3,5-xylyl disulfide","1-[(2,5-dimethylphenyl)disulfanyl]-3,5-dimethylbenzene",C16H18S2,274.44,0
Q27896974,100927467,Ganoderiol A,"(3S,6R)-6-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptane-1,2,3-triol",C30H50O4,474.726,8
Q27896975,471007,Ganoderiol B,"(5R,10S,13R,14R,15S,17R)-15-hydroxy-17-[(2R)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one",C30H46O4,470.694,7
Q27896972,12309913,Fujenoic acid,"(1R,4S,5R)-4-[(3aS,4S,7aR)-4,7a-dimethyl-1,3-dioxo-3a,5,6,7-tetrahydro-2-benzofuran-4-yl]-7-methylidenebicyclo[3.2.1]octane-5-carboxylic acid",C20H26O5,346.423,6
Q27896973,13873514,Fomajorin D,"9-hydroxy-5,7,7-trimethyl-6,8-dihydrocyclopenta[g]isochromen-1-one",C15H16O3,244.29,0
Q27896976,103168,"2,3-Xylyl 3,4-xylyl disulfide","1-[(3,4-dimethylphenyl)disulfanyl]-2,3-dimethylbenzene",C16H18S2,274.44,0
Q27980867,75695,Cyclohexadecanone,cyclohexadecanone,C16H30O,238.415,0
Q27996238,20577920,"Bicyclo[1.1.0]buta-1,3-diene","bicyclo[1.1.0]buta-1(4),2-diene",C4H2,50.06,0
Q27999998,9815648,6-(Methylsulfinyl)hexyl isothiocyanate,1-isothiocyanato-6-methylsulfinylhexane,C8H15NOS2,205.334,0
Q28000002,21587788,FPANWDWGPATUTH-OJVARPOJSA-N,"(3S,4R,6R,7R)-4-[(1S,4S)-4-hydroxy-1,4-dimethylcyclohex-2-en-1-yl]-4-methyl-1-oxaspiro[2.4]heptane-6,7-diol",C15H24O4,268.353,6
Q28000003,21880553,2-Acetamidopentanedioate,2-acetamidopentanedioate,C7H9NO5-2,187.151,0
Q28000007,56677797,"8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-[(3-hydroxybenzoyl)oxy]-8-methyl-, (1R,2R,3S,5S)-",3-(3-hydroxybenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid,C16H19NO5,305.33,0
Q28000005,15919788,2-(5-Hydroxy-1H-indol-2-yl)acetic acid,2-(5-hydroxy-1H-indol-2-yl)acetic acid,C10H9NO3,191.186,0
Q28000009,21125572,2-(Diaminomethylideneamino)-2-phosphonoacetate,2-(diaminomethylideneamino)-2-phosphonoacetate,C3H7N3O5P-,196.079,0
Q28000012,54675774,"5-(gamma-Carboxy-gamma-oxopropyl)-4,6-dihydroxypicolinate",5-(3-carboxy-3-oxopropyl)-4-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid,C10H9NO7,255.182,0
Q28000013,4217221,2-Acetamidobutanedioate,2-acetamidobutanedioate,C6H7NO5-2,173.124,0
Q28000018,440744,2-Amino-4-(2-formamido-5-hydroxyphenyl)-4-oxobutanoic acid,2-amino-4-(2-formamido-5-hydroxyphenyl)-4-oxobutanoic acid,C11H12N2O5,252.226,0
Q28000016,440742,3-(5-Hydroxy-1H-indol-3-yl)-2-oxopropanoic acid,3-(5-hydroxy-1H-indol-3-yl)-2-oxopropanoic acid,C11H9NO4,219.196,0
Q28000021,440746,"4-(2-Amino-5-hydroxyphenyl)-2,4-dioxobutanoic acid","4-(2-amino-5-hydroxyphenyl)-2,4-dioxobutanoic acid",C10H9NO5,223.184,0
Q28086552,89594,Nicotine,3-[(2S)-1-methylpyrrolidin-2-yl]pyridine,C10H14N2,162.236,1
Q28209255,49856296,Kaf-156,"2-amino-1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]ethanone",C22H23F2N5O,411.457,0
Q28334819,40470,"2,2',3,3',4-Pentachlorobiphenyl","1,2,3-trichloro-4-(2,3-dichlorophenyl)benzene",C12H5Cl5,326.422,0
Q28362389,72625,Humulon,"(6S)-3,5,6-trihydroxy-2-(3-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one",C21H30O5,362.466,1
Q28410774,56843856,Ammonium neodymium(3+) disulphate,azanium;neodymium(3+);disulfate,H4NNdO8S2,354.393,0
Q28410839,166828,Trilithium arsorate,trilithium;trioxido(oxo)-$l^{5}-arsane,Li3AsO4,159.738,0
Q28410909,53393497,Ammonium tetrathiotungstate,azane;bis(sulfanylidene)tungsten;sulfanide,H8N2S4W-2,348.158,0
Q28410927,16540,N-Chloropiperidine,1-chloropiperidine,C5H10ClN,119.592,0
Q28411373,11970367,Silver formate,silver;formate,CHAgO2,152.885,0
Q28411463,164760,Cobalt dibenzoate,cobalt(2+);dibenzoate,C14H10CoO4,301.163,0
Q28411680,206883,ZINC arsenite,trizinc;trioxidoarsane,Zn(AsO2)2,441.977,0
Q28417823,14298976,Lanthanum(3+);triformate,lanthanum(3+);triformate,C3H3LaO6,273.956,0
Q28417827,13880202,Yttrium(3+);triformate,yttrium(3+);triformate,C3H3O6Y,223.957,0
Q28417828,101939,Thallium formate,thallium(1+);formate,Tl(CHO2),249.397,0
Q28457222,6427071,"2,5-Dimethoxy-p-cymene","1,4-dimethoxy-2-methyl-5-propan-2-ylbenzene",C12H18O2,194.274,0
Q28473937,69005,Triethylsilanol,triethyl(hydroxy)silane,C6H16OSi,132.278,0
Q28487605,165390,Methacrylyl-CoA,"S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-methylprop-2-enethioate",C25H40N7O17P3S,835.608,5
Q28487650,11966314,3-Hydroxy-2-methylpropanoate,3-hydroxy-2-methylpropanoate,C4H7O3-,103.097,0
Q28487658,5460066,4-Maleyl-acetoacetate,"(Z)-4,6-dioxooct-2-enedioate",C8H6O6-2,198.13,0
Q28487657,5204641,3-Methyl-2-oxobutanoate,3-methyl-2-oxobutanoate,C5H7O3-,115.108,0
Q28487660,92810,"3,20-Allopregnanedione","(5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one",C21H32O2,316.485,7
Q28487665,22796709,Prostaglandin A1(1-),"7-[(1R,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-yl]heptanoate",C20H31O4-,335.464,3
Q28487668,9548793,Taurodeoxycholate,"2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate",C26H44NO6S-,498.699,10
Q28487669,5460660,Docosanoate,docosanoate,C22H43O2-,339.584,0
Q28487679,5356421,12(13)-EpOME,(Z)-11-(3-pentyloxiran-2-yl)undec-9-enoic acid,C18H32O3,296.451,0
Q28487682,440985,"7alpha,27-Dihydroxycholesterol","(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol",C27H46O3,418.662,9
Q28487680,92786,Brexanolone,"1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone",C21H34O2,318.501,8
Q28487686,65074,"7,8-Dihydroneopterin","2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-7,8-dihydro-1H-pteridin-4-one",C9H13N5O4,255.234,2
Q28487684,439193,Isomaltose,Glc(a1-6)Glc,C12H22O11,342.297,9
Q28487689,5287939,Cholesteryl linoleate,"[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (9Z,12Z)-octadeca-9,12-dienoate",C45H76O2,649.101,8
Q28529672,6441243,"(E)-7-[2-[(E,3S)-3-Hydroxyoct-1-enyl]-5-oxocyclopenten-1-yl]hept-5-enoic acid","(E)-7-[2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopenten-1-yl]hept-5-enoic acid",C20H30O4,334.456,1
Q28529673,5282260,Prostaglandin D3,"(Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]-3-oxocyclopentyl]hept-5-enoic acid",C20H30O5,350.455,4
Q28529678,8956,20alpha-Hydroxyprogesterone,"(8S,9S,10R,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",C21H32O2,316.485,7
Q28529676,73427341,Lc3Cer,"N-[(2S,3R,4R,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(E,2S,3R)-2-acetamido-3-hydroxyoctadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide",C40H72N2O18,869.012,17
Q28529682,13804,Citicoline,"[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 2-(trimethylazaniumyl)ethyl phosphate",C14H26N4O11P2,488.327,4
Q28529683,9543319,"cis,cis-2-Amino-3-(3-oxoprop-1-enyl)but-2-enedioate",(Z)-2-amino-3-[(Z)-3-oxoprop-1-enyl]but-2-enedioate,C7H5NO5-2,183.119,0
Q28529680,5316113,cis-Coumarinic acid-beta-D-glucoside,"(Z)-3-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid",C15H18O8,326.301,5
Q28529681,25195380,Cob(I)alamin,"cobalt;[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl] hydrogen phosphate",C63H88CoN14O14P,1330.378,14
Q28529686,6175,Cytidine,rCyd,C9H13N3O5,243.219,4
Q28529687,1879,"6,7-Dihydrobiopterin","2-amino-6-(1,2-dihydroxypropyl)-6,7-dihydro-1H-pteridin-4-one",C9H13N5O3,239.235,0
Q28529684,588,Creatinine,2-amino-3-methyl-4H-imidazol-5-one,C4H7N3O,113.12,0
Q28529685,25243997,L-Cystathionine dizwitterion,(2S)-2-azaniumyl-4-[(2R)-2-azaniumyl-2-carboxylatoethyl]sulfanylbutanoate,C7H14N2O4S,222.259,2
Q28529690,65070,Deoxyuridine-5'-triphosphate,"[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate",C9H15N2O14P3,468.14,3
Q28529691,84951,Fosfructose,"[(2R,3R,4S)-2,3,4-trihydroxy-5-oxo-6-phosphonooxyhexyl] dihydrogen phosphate",C6H14O12P2,340.114,3
Q28529688,165491,Deamido-NAD+,"1-[(2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyridin-1-ium-3-carboxylic acid",C21H27N6O15P2+,665.422,8
Q28529689,19001,Dithiothreitol,"1,4-bis(sulfanyl)butane-2,3-diol",C4H10O2S2,154.242,0
Q28529694,5459920,(2S)-2-(Aminomethylideneamino)pentanedioate,(2S)-2-(aminomethylideneamino)pentanedioate,C6H8N2O4-2,172.14,1
Q28529695,73427339,WEDKNOKKJRLRAX-PHWZBLGCSA-N,"N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(E,2S,3R)-2-acetamido-3-hydroxyoctadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide",C86H148N4O51,2054.107,52
Q28529698,5460307,Fumarate,(E)-but-2-enedioate,C4H2O4-2,114.056,0
Q28529699,657272,Choline alfoscerate,"[(2R)-2,3-dihydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate",C8H20NO6P,257.223,1
Q28529696,73427343,VI2Fuc-nLc6,"N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(E,2S,3R)-2-acetamido-3-hydroxyoctadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide",C66H115N3O37,1542.63,37
Q28529702,6857680,L-Gulonate,"(2S,3S,4R,5S)-2,3,4,5,6-pentahydroxyhexanoate",C6H11O7-,195.147,4
Q28529703,45266570,Isobutyryl-coenzyme A,"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-2,2-dimethyl-4-[[3-[2-(2-methylpropanoylsulfanyl)ethylamino]-3-oxopropyl]amino]-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate",C25H38N7O17P3S-4,833.592,5
Q28529700,73427349,Nlc6Cer,"N-[(2S,3R,4R,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(E,2S,3R)-2-acetamido-3-hydroxyoctadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide",C60H105N3O33,1396.488,32
Q28529701,92283,Glucurolactone,"(2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetaldehyde",C6H8O6,176.124,4
Q28529704,439231,(2S)-2-Hydroxypropanal,(2S)-2-hydroxypropanal,C3H6O2,74.079,1
Q28529711,15938971,NAD-oxidized,"[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate",C21H26N7O14P2-,662.422,8
Q28529714,9962735,Ubiquinol,"2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-5,6-dimethoxy-3-methylbenzene-1,4-diol",C59H92O4,865.381,0
Q28529715,638015,Retinal,"(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal",C20H28O,284.443,0
Q28529712,448751,Phenethylammonium,2-phenylethylazanium,C8H12N+,122.191,0
Q28529713,9548816,Protoporphyrinate,"3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid",C34H32N4O4-2,560.654,0
Q28529718,3033836,Stearate,octadecanoate,C18H35O2-,283.476,0
Q28529717,851,2-Amino-3-selanylpropanoic acid,H-DL-Sec-OH,C3H7NO2Se,168.065,0
Q28529722,5289590,"Xylulose, D-","(3S,4R)-1,3,4,5-tetrahydroxypentan-2-one",C5H10O5,150.13,2
Q28529720,7427,Trehalose,Glc(a1-1a)Glc,C12H22O11,342.297,10
Q28529721,160520,Trihydroxycholestane,"(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol",C27H48O3,420.678,11
Q28603617,6770,Stylopine,N/A,C19H17NO4,323.348,0
Q28658920,82304,Copper phthalate,copper;phthalate,C8H4CuO4,227.662,0
Q28659022,146543,Tetraammineplatinum dinitrate,azane;platinum(2+);dinitrate,H12N6O6Pt,387.216,0
Q28659320,9860653,Iron(2+);phosphonato phosphate,iron(2+);phosphonato phosphate,Fe2O7P2,285.631,0
Q28659367,13682635,Nickel(2+) propionate,nickel(2+);propanoate,C6H10NiO4,204.835,0
Q28771530,6335274,Stannanetetrol,tin;tetrahydrate,H8O4Sn,190.77,0
Q28797916,644109,Palmitoyl-CoA,"S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] hexadecanethioate",C37H66N7O17P3S,1005.948,5
Q29207083,117857370,GHTGYZMBQPXTCQ-UHFFFAOYSA-N,"N-(3-carbamoyl-5,5,7,7-tetramethyl-4H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-5-carboxamide",C16H20N4O3S,348.421,0
Q29208499,121301049,Galicaftor,"4-[(2R,4R)-4-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-7-(difluoromethoxy)-3,4-dihydro-2H-chromen-2-yl]benzoic acid",C28H21F4NO7,559.47,2
Q29208626,118196485,KGERZPVQIRYWRK-GDLZYMKVSA-N,"2-[3-(3,5-dimethyltriazol-4-yl)-5-[(S)-oxan-4-yl(phenyl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol",C30H33N5O2,495.627,1
Q29209799,118572065,Unii-S4L4MM20B6,"5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1-one",C22H24Cl2N2O5,467.343,1
Q29209801,91885617,MGZKYOAQVGSSGC-DLBZAZTESA-N,"N-[(3S,4S)-3-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]oxan-4-yl]prop-2-enamide",C24H24Cl2N4O4,503.38,2
Q29213602,118295624,PUIXMSRTTHLNKI-UHFFFAOYSA-N,"6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-(methylamino)-8-[3-(4-prop-2-enoylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidin-7-one",C26H30Cl2N6O4,561.464,0
Q29213614,118036971,BHKDKKZMPODMIQ-UHFFFAOYSA-N,"N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide",C25H30N8O4,506.567,0
Q29213634,73441910,AKCDDYGYIGPEKL-JQOQJDEVSA-N,"2-[(1S)-1-[(2S,5R)-5-[4-chloro-5-fluoro-2-(trifluoromethyl)phenyl]oxolan-2-yl]ethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione",C25H23ClF4N4O3,538.928,3
Q29213655,121248172,ZQFNDBISEYQVRR-LOSJGSFVSA-N,"2,2-difluoro-N-[(1R,2S)-3-methyl-1-[1-(1-methyl-6-oxopyridin-3-yl)indazol-5-yl]oxy-1-phenylbutan-2-yl]propanamide",C27H28F2N4O3,494.543,2
Q29213664,74223726,IDIUJOHYYBNCPC-UHFFFAOYSA-N,"4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1H-pyrazolo[4,3-c]pyridine",C19H17N5O,331.379,0
Q29213676,118023034,Avapritinib,"(1S)-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine",C26H27FN10,498.57,1
Q29213686,118873253,XXJXHXJWQSCNPX-UHFFFAOYSA-N,3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)pyridin-2-yl]-6-[3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide,C22H23F3N8O,472.476,0
Q29387971,114481,"2,3,3,3-Tetrafluoro-2-(heptafluoropropoxy)propionic acid","2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoic acid",C6HF11O3,330.053,0
Q29388239,51342034,"Ammonium 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate","azanium;2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate",C6H4F11NO3,347.084,0
Q29479772,71264333,"Nfepp, (3R,4S)-","N-[(3R,4S)-3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide",C22H27FN2O,354.469,2
Q29553692,54682830,"4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid","6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid",C13H14O5,250.25,0
Q29563807,61475,Sodium thiosulfate,disodium;dioxido-oxo-sulfanylidene-$l^{6}-sulfane;pentahydrate,H10Na2O8S2,248.172,0
Q29706742,96260,"2,6-Dibromonaphthalene-1,5-diol","2,6-dibromonaphthalene-1,5-diol",C10H6Br2O2,317.964,0
Q29708688,18766,"1,12-Dibromododecane","1,12-dibromododecane",C12H24Br2,328.132,0
Q30061098,735755,"3,4,5-Trimethoxycinnamic acid","(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid",C12H14O5,238.239,0
Q30098653,75755,Hept-3-yne,hept-3-yne,C7H12,96.173,0
Q30688388,76396,1-Iodopropan-2-one,1-iodopropan-2-one,C3H5IO,183.976,0
Q30693132,23247762,Moroidin,N/A,C47H66N14O10,987.133,8
Q30947763,54606905,Copper(II) trifluoroacetate hydrate,"copper;2,2,2-trifluoroacetic acid",C2HCuF3O2+2,177.569,0
Q30948420,602123,"1,10-Phenanthroline-2,9-dicarbaldehyde","1,10-phenanthroline-2,9-dicarbaldehyde",C14H8N2O2,236.23,0
Q30949022,82908,Bis(tellanylidene)rhenium,bis(tellanylidene)rhenium,ReTe2,441.407,0
Q30949281,630189,"1-Chloro-9,10-diphenylanthracene","1-chloro-9,10-diphenylanthracene",C26H17Cl,364.872,0
Q30951080,159698,Tin(II) fluoroborate,tin(2+);ditetrafluoroborate,B2F8Sn,292.317,0
Q31190376,75645,Cyclobutylamine,cyclobutanamine,C4H9N,71.123,0
Q31208817,25000034,Iron(6+);oxygen(2-),iron(6+);oxygen(2-),FeO4-2,119.841,0
Q31835495,67710,Trifluoroacetonitrile,"2,2,2-trifluoroacetonitrile",C2F3N,95.024,0
Q31887279,5375177,Plastoquinone,"2,3-dimethyl-5-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]cyclohexa-2,5-diene-1,4-dione",C53H80O2,749.221,0
Q31932736,3081323,"8-Aminoadenosine cyclic 3',5'-(hydrogen phosphate) 5'-ribofuranosyl ester","[(2S,5R)-5-[6,8-diamino-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2H-purin-9-yl]-4-hydroxy-2,5-dihydrofuran-2-yl]methyl phosphono hydrogen phosphate",C15H22N6O13P2,556.318,4
Q31932764,10311902,NBZANZVJRKXVBH-SZVYCNKZSA-N,"(1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol",C40H56O,552.887,1
Q31932797,440806,5-Hydroxyindoleacetylglycine,2-[[2-(5-hydroxy-1H-indol-3-yl)acetyl]amino]acetic acid,C12H12N2O4,248.238,0
Q31932825,1158,"[5-(2,4-Dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate","[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate",C9H14N2O12P2,404.161,0
Q31932858,3035701,Nitroso (2S)-2-amino-4-sulfanylbutanoate,nitroso (2S)-2-amino-4-sulfanylbutanoate,C4H8N2O3S,164.179,1
Q32030210,1738118,N-Acetylglucosamine,"N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide",C8H15NO6,221.209,4
Q32038955,53239726,CID 53239726,"(2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-2-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-6-[(E,2S,3R)-2-formamido-3-hydroxyoctadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid",C56H97N3O31,1308.382,28
Q32038966,208,D-Hexose 6-phosphate,"(3,4,5,6-tetrahydroxyoxan-2-yl)methyl dihydrogen phosphate",C6H13O9P,260.135,0
Q32039035,3032890,Desmethyltamoxifen,"2-[4-[(E)-1,2-diphenylbut-1-enyl]phenoxy]-N-methylethanamine",C25H27NO,357.497,0
Q32039049,171161,N-Acetyl-N-formyl-5-methoxykynurenamine,N-[3-(2-formamido-5-methoxyphenyl)-3-oxopropyl]acetamide,C13H16N2O4,264.281,0
Q32039062,5462214,3-Methylglutaconyl-CoA,"(E)-5-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-3-methyl-5-oxopent-3-enoic acid",C27H42N7O19P3S,893.644,0
Q32039062,25244136,CID 25244136,"(E)-5-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonatooxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-3-methyl-5-oxopent-3-enoate",C27H37N7O19P3S-5,888.604,0
Q32039077,5287505,"1,2-Diacyl-glycerol-3-SN-phosphate",[(2R)-2-pentadecanoyloxy-3-tridecanoyloxypropyl] hydrogen phosphate,C31H60O8P-,591.787,1
Q32039085,2735,Vitamin D3 powder,"3-[2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol",C27H44O,384.648,0
Q32039171,5460104,(2-Formyloxy-3-phosphonooxypropyl) formate,(2-formyloxy-3-phosphonooxypropyl) formate,C5H9O8P,228.093,0
Q32039181,703,Flavitan,"[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate",C27H33N9O15P2,785.557,0
Q32039197,69507,Fructose 6-phosphate,"[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] dihydrogen phosphate",C6H13O9P,260.135,3
Q32039209,53481029,[3-(Octanoyloxy)-2-oxopropoxy]phosphonic acid,(2-oxo-3-phosphonooxypropyl) octanoate,C11H21O7P,296.256,0
Q32039221,149850,Benzo[a]pyren-9-yl hydrogen sulfate,benzo[a]pyren-9-yl hydrogen sulfate,C20H12O4S,348.372,0
Q32039231,122357,"Erythrose 4-phosphate, D-","[(2R,3R)-2,3-dihydroxy-4-oxobutyl] dihydrogen phosphate",C4H9O7P,200.083,2
Q32039271,274104,"2,3,4,5-Tetrabromo-6-(3,6-dihydroxy-9H-xanthen-9-yl)benzoic acid","2,3,4,5-tetrabromo-6-(3,6-dihydroxy-9H-xanthen-9-yl)benzoic acid",C20H10Br4O5,649.911,0
Q32039285,3081372,Angiotensin I,H-Asp-Arg-Val-Tyr-Ile-His-Pro-Phe-His-Leu-OH,C62H89N17O14,1296.499,11
Q32039294,6409687,2-Amino-3-hydroxy-3-oxopropane-1-sulfinate,2-amino-3-hydroxy-3-oxopropane-1-sulfinate,C3H6NO4S-,152.144,0
Q32039304,53297449,KHBXRZGALJGBPA-NQZOLGFYSA-N,N/A,C17H12O7,328.276,4
Q32039313,4161142,2-Amino-3-methylbenzoate,2-amino-3-methylbenzoate,C8H8NO2-,150.157,0
Q32039328,3033897,"2-[4-[(Z)-1,2-Diphenylbut-1-enyl]phenoxy]ethanol","2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethanol",C24H24O2,344.454,0
Q32904692,6133,Uridine 5'-triphosphate,"[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate",C9H15N2O15P3,484.139,4
Q32904692,1181,"Uridine, trisodium salt","[[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate",C9H15N2O15P3,484.139,0
Q33061105,22833574,(R)-Mevalonic acid-5-pyrophosphate,(3S)-3-hydroxy-5-[hydroxy(phosphonooxy)phosphoryl]oxy-3-methylpentanoic acid,C6H14O10P2,308.116,1
Q33129821,123680,"[(1R,2S,3S,4R,5R,6R)-2,3,5-Trihydroxy-4,6-diphosphonooxycyclohexyl] dihydrogen phosphate","[(1R,2S,3S,4R,5R,6R)-2,3,5-trihydroxy-4,6-diphosphonooxycyclohexyl] dihydrogen phosphate",C6H15O15P3,420.092,6
Q33129878,5721207,"(2Z)-2-[(4-Acetylphenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)acetamide","(2Z)-2-[(4-acetylphenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)acetamide",C21H22N4O2,362.433,0
Q33143279,86017621,9-(3-Methyl-5-propylfuran-2-yl)nonanoic acid,9-(3-methyl-5-propylfuran-2-yl)nonanoic acid,C17H28O3,280.408,0
Q33150707,11794741,Fluprednidene,"(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-16-methylidene-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-3-one",C22H27FO5,390.451,7
Q33221881,345552,"Pyridine-2,4,6-tricarboxylic acid","pyridine-2,4,6-tricarboxylic acid",C8H5NO6,211.129,0
Q34199673,11856,"1,2,3,4,5-Pentaiodobenzene","1,2,3,4,5-pentaiodobenzene",C6HI5,707.596,0
Q35666789,91451,17-Hydroxypregnenolone,"1-[(3S,8R,9S,10R,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone",C21H32O3,332.484,7
Q36426856,16687962,Silver hexafluorostiboranuide,silver;hexafluoroantimony(1-),AgF6Sb,343.619,0
Q36428753,51035191,Uranium(4+);tetraacetate,uranium(4+);tetraacetate,C8H12O8U,474.205,0
Q36429403,22604557,Thallium(1+) 2-ethylhexanoate,2-ethylhexanoate;thallium(1+),C8H15O2Tl,347.586,0
Q36429938,22604718,Thallium(1+) octanoate,octanoate;thallium(1+),C8H15O2Tl,347.586,0
Q36430650,139480,Tetrachlorodiphosphane,dichloro(dichlorophosphanyl)phosphane,Cl4P2,203.748,0
Q36431105,11480468,Dilithium;dioxido(dioxo)manganese,dilithium;dioxido(dioxo)manganese,Li2MnO4,132.814,0
Q36431725,6100372,Calcium 4-hydroxybutanoate,calcium;4-hydroxybutanoate,C8H14CaO6,246.272,0
Q36432490,4362639,Bis(ethylsulfanyl)lead,bis(ethylsulfanyl)lead,C4H10PbS2,329.444,0
Q36433527,74639,Sebaconitrile,decanedinitrile,C10H16N2,164.252,0
Q36434030,21977412,Manganese sulfite,manganese(2+);sulfite,MnO3S,134.995,0
Q36502089,91723653,Germacrene D,"(1Z,6Z,8S)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene",C15H24,204.357,1
Q37614694,52931264,LacCer(d18:0/16:0),"N-[(2S,3R)-1-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyoctadecan-2-yl]hexadecanamide",C46H89NO13,864.212,8
Q38189460,11733073,Europium perchlorate,europium(3+);triperchlorate,Cl3EuO12,450.302,0
Q39630252,987146,"(1R,3S)-1-(2,4-Dichlorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid","(1R,3S)-1-(2,4-dichlorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid",C18H14Cl2N2O2,361.222,2
Q40838069,7058087,"(3S,5S)-3,5-Dimethylpiperidine","(3S,5S)-3,5-dimethylpiperidine",C7H15N,113.204,2
Q40838077,641102,"trans-3,5-Lupetidine","(3R,5R)-3,5-dimethylpiperidine",C7H15N,113.204,2
Q40838086,641101,"(3R,5S)-3,5-Dimethylpiperidine","(3R,5S)-3,5-dimethylpiperidine",C7H15N,113.204,2
Q41209560,71716045,Trimexautide,"(2S,6S)-6,7-diamino-2-[[(4R)-4-carboxy-4-[[(2R)-2-(dodecanoylamino)propanoyl]amino]butanoyl]amino]-7-oxoheptanoic acid",C27H49N5O8,571.716,4
Q41394332,92454417,Methylenedioxypropylamphetamine,"(2S)-1-(1,3-benzodioxol-5-yl)-N-propylpropan-2-amine",C13H19NO2,221.3,1
Q41394340,92034713,LBXMQBTXOLBCCA-SNVBAGLBSA-N,"(2R)-1-(1,3-benzodioxol-5-yl)-N-propylpropan-2-amine",C13H19NO2,221.3,1
Q41588681,1549622,"Dibenzalacetone, (1Z,4E)-","(1Z,4E)-1,5-diphenylpenta-1,4-dien-3-one",C17H14O,234.298,0
Q41596159,644110,L-Lyxonic acid,"(2R,3R,4S)-2,3,4,5-tetrahydroxypentanoic acid",C5H10O6,166.129,3
Q41596157,53882537,FdUDP,"[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate",C9H13FN2O11P2,406.152,3
Q41596162,73427362,ODBNHBMRTCHJEH-RYXDBFSOSA-N,"(2S,4S,5R,6R)-5-acetamido-6-[(1S,2R)-2-[(2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-3-acetyloxy-1,2-dihydroxypropyl]-2-carboxy-4-hydroxyoxan-2-yl]oxy-1,3-dihydroxypropyl]-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(E,2S,3R)-2-acetamido-3-hydroxyoctadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxyoxane-2-carboxylic acid",C56H95N3O30,1290.367,24
Q41596188,503023,FdUTP,"[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate",C9H14FN2O14P3,486.131,3
Q41596256,4369241,6-Hydroxy-flavin-adenine dinucleotide,"[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S)-5-(7,8-dimethyl-2,4,6-trioxo-1H-benzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate",C27H33N9O16P2,801.556,7
Q41596284,25245411,"7',9'-cis-Lycopene","(6E,8Z,10Z,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene",C40H56,536.888,0
Q41596312,169,"5,12-Dihydroxyicosa-6,8,10,14-tetraenoic acid","5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid",C20H32O4,336.472,0
Q41596316,21606092,9'-cis-Neurosporene,"(6E,8E,10E,12E,14E,16E,18E,20E,22Z,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,26,30-dodecaene",C40H58,538.904,0
Q41631126,74167,Diphenyldichlorogermane,dichloro(diphenyl)germane,C12H10Cl2Ge,297.742,0
Q41669766,75030,Tributyl(chloro)germane,tributyl(chloro)germane,C12H27ClGe,279.428,0
Q41709321,6330566,Triphenylgermanol,triphenylgermanium;hydrate,C18H17GeO,321.963,0
Q41742331,15382848,Xanthodermine,(2S)-2-amino-5-[2-(4-hydroxyphenyl)hydrazinyl]-5-oxopentanoic acid,C11H15N3O4,253.258,1
Q41743477,76989,Dibutyldichlorosilane,dibutyl(dichloro)silane,C8H18Cl2Si,213.217,0
Q41744484,20723,Dibutyldichlorogermane,dibutyl(dichloro)germane,C8H18Cl2Ge,257.762,0
Q41751073,2733353,Trichloro(ethyl)germane,trichloro(ethyl)germane,C2H5Cl3Ge,208.042,0
Q42403262,28,"2-Aminohexa-2,4-dienedioic acid","2-aminohexa-2,4-dienedioic acid",C6H7NO4,157.125,0
Q42403266,440747,"4,6-Dioxo-5-(3-oxopropyl)-1H-pyridine-2-carboxylic acid","4,6-dioxo-5-(3-oxopropyl)-1H-pyridine-2-carboxylic acid",C9H9NO5,211.173,0
Q42403269,440748,"5-(2-Carboxyethyl)-4,6-dioxo-1H-pyridine-2-carboxylic acid","5-(2-carboxyethyl)-4,6-dioxo-1H-pyridine-2-carboxylic acid",C9H9NO6,227.172,0
Q42403273,440749,"5-(4-Hydroxy-3,4-dioxobutyl)-4,6-dioxo-1H-pyridine-2-carboxylic acid","5-(3-carboxy-3-oxopropyl)-4,6-dioxo-1H-pyridine-2-carboxylic acid",C10H9NO7,255.182,0
Q42403278,5118247,KEPSPLQXVPROMK-UHFFFAOYSA-N,"S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] dodeca-3,6-dienethioate",C33H54N7O17P3S,945.808,0
Q42403281,6441892,NMZKLLJQNNTBRJ-GIGDAOFJSA-N,"(Z)-7-[(1S,2S,3R,5S)-3-[(1E,3S,5E)-3-hydroxyocta-1,5-dienyl]-4,6-dioxabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid",C20H30O5,350.455,5
Q42403291,355024,"[5-(5-Methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate",P-Thy-ddRibf,C10H15N2O7P,306.211,0
Q42403288,656482,FASAKYLWSRDQOH-UHFFFAOYSA-N,"S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] deca-2,4-dienethioate",C31H50N7O17P3S,917.754,0
Q42403295,159321,"[(2S,3S,4S,5R,6S)-6-[2,3-Di(hexadecanoyloxy)propoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid","[(2S,3S,4S,5R,6S)-6-[2,3-di(hexadecanoyloxy)propoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid",C41H78O12S,795.123,5
Q42403298,190754,Isotrichodermol,N/A,C15H22O3,250.338,5
Q42403303,67061789,RBPLEPCPFMEJQR-GTSJTBTQSA-N,"(8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-1-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one",C28H48O2,416.69,8
Q42403313,68846804,XIROKSMNMIFXHN-BOPKENILSA-N,"(8S,9S,10S,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-1-ol",C28H46O,398.675,8
Q42403318,539240,8-Hydroxycalonectrin,N/A,C19H26O7,366.41,0
Q42403316,57400365,1-18:3-2-18:3-Digalactosyldiacylglycerol,"[(2S)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate",C51H84O15,937.218,11
Q42403321,5771744,"1,2 Di-(9Z,12Z,15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol","[(2S)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-[(2R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate",C45H74O10,775.077,4
Q42403325,557474,"7,8-Dihydroxycalonectrin",N/A,C19H26O8,382.409,0
Q42403329,6442626,"2,3-Bis[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy]propyl 2-(trimethylazaniumyl)ethyl phosphate","2,3-bis[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy]propyl 2-(trimethylazaniumyl)ethyl phosphate",C44H76NO8P,778.065,0
Q42403332,73049,Acetylanguidine,N/A,C21H28O8,408.447,5
Q42403336,9546735,WIHSZOXPODIZSW-YTWBPVBXSA-N,"[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate",C41H70NO8P,735.984,0
Q42403337,10417707,MPTSWFXLMIATGU-YTWBPVBXSA-N,"[3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate",C42H71O10P,766.994,0
Q42403340,11473563,Calonectrin,N/A,C19H26O6,350.411,6
Q42412390,19821420,"1H-Indole-2-acetic acid, 5-methoxy-",2-(5-methoxy-1H-indol-2-yl)acetic acid,C11H11NO3,205.213,0
Q42412391,53700591,2-Hydroxy-3-(1H-indol-2-yl)propanoic acid,2-hydroxy-3-(1H-indol-2-yl)propanoic acid,C11H11NO3,205.213,0
Q42412388,53462156,m-Hydroxycocaine,methyl 3-(3-hydroxybenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate,C17H21NO5,319.357,0
Q42412393,51604,"9,10-Epoxy-7,8-dihydrobenzo[a]pyrene-7,8-diol",N/A,C20H12O3,300.313,0
Q42412398,265,Butanoyl-CoA,"S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] butanethioate",C25H42N7O17P3S,837.624,0
Q42412399,10255482,AREUQFTVCMGENT-UAKXSSHOSA-N,"[[(2R,3S,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate",C9H14FN2O15P3,502.13,4
Q42412396,12954996,"3H-Imidazo[4,5-h]quinoline","3H-imidazo[4,5-h]quinoline",C10H7N3,169.187,0
Q42414121,24237,Zirconium acetate,zirconium(4+);tetraacetate,C8H12O8Zr,327.4,0
Q43638081,10345604,Indanomycin,"(2R)-2-[(2R,5S,6R)-6-[(3E,5E)-6-[(1S,3aR,4S,5S,7aS)-1-ethyl-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]hexa-3,5-dien-3-yl]-5-methyloxan-2-yl]propanoic acid",C31H43NO4,493.688,9
Q43759780,67141,Benzenecarbodithioic acid,benzenecarbodithioic acid,C7H6S2,154.245,0
Q45435040,10062826,"(3beta,17beta)-Androst-5-ene-3,17-diol","(3S,10R,13S,17S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol",C19H30O2,290.447,4
Q45435046,129847219,Ethyl ecgonidine,5-ethyl-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylic acid,C11H17NO2,195.262,0
Q45435230,19793911,4-Hydroxy-3-oxobutanoic acid,4-hydroxy-3-oxobutanoic acid,C4H6O4,118.088,0
Q45435329,3377241,"3-(2-Aminoethyl)-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione","3-(2-aminoethyl)-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione",C14H16N2O3S,292.353,0
Q45435412,5288642,D-Myo-Inositol-1-Phosphate,"[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate",C6H11O9P-2,258.119,4
Q45435500,131750702,Ganglioside GT2 (d18:1/25:0),"(2S,4S,5R)-5-acetamido-6-[(1S,2R)-2-[(2S,4S,5R)-5-acetamido-6-[(1S,2R)-2-[(2S,4S,5R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-2-carboxy-4-hydroxyoxan-2-yl]oxy-1,3-dihydroxypropyl]-2-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(Z,2S,3R)-3-hydroxy-2-(pentacosanoylamino)octadec-4-enoxy]oxan-3-yl]oxy-5-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(2-oxopropyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxyoxane-2-carboxylic acid",C97H170N4O42,2064.413,32
Q45435581,53481368,5(6)-Epoxy Prostaglandin E1,"4-[3-[[(1S,2S,3S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]methyl]oxiran-2-yl]butanoic acid",C20H32O6,368.47,4
Q45435642,5460816,"Aflatoxin B1exo-8,9-epoxide-GSH",H-DL-gGlu-DL-Cys(Unk)-Gly-OH,C27H29N3O13S,635.597,2
Q45435667,6006,Leucovorin,"(2S)-2-[[4-[(2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid",C20H23N7O7,473.446,1
Q45435675,66616222,Gb3Cer,"N-[(E,2S,3R)-1-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]acetamide",C38H69NO18,827.959,17
Q45474690,10271322,Bis(benzonitrile)palladium chloride,benzonitrile;palladium(2+);dichloride,C14H10Cl2N2Pd,383.568,0
Q45474690,498840,Benzonitrile; dichloropalladium,benzonitrile;dichloropalladium,C14H10Cl2N2Pd,383.568,0
Q45474690,425002,Bis(cyanophenyl)palladium dichloride,benzonitrile;dichloropalladium,C14H10Cl2N2Pd,383.568,0
Q47008470,1713012,"(1R,2S)-2-Octylcyclopropane-1-carboxylic acid","(1R,2S)-2-octylcyclopropane-1-carboxylic acid",C12H22O2,198.306,2
Q47008471,1713018,"(1S,2R)-2-Octylcyclopropane-1-carboxylic acid","(1S,2R)-2-octylcyclopropane-1-carboxylic acid",C12H22O2,198.306,2
Q47008468,1713014,"(1R,2R)-2-Octylcyclopropane-1-carboxylic acid","(1R,2R)-2-octylcyclopropane-1-carboxylic acid",C12H22O2,198.306,2
Q47008469,1713016,"(1S,2S)-2-Octylcyclopropane-1-carboxylic acid","(1S,2S)-2-octylcyclopropane-1-carboxylic acid",C12H22O2,198.306,2
Q47455840,94258,"Heptafluoropropyl 1,2,2,2-tetrafluoroethyl ether","1,1,1,2,2,3,3-heptafluoro-3-(1,2,2,2-tetrafluoroethoxy)propane",C5HF11O,286.044,0
Q47458959,131769927,2-Ene-Valproic acid CoA,"S-[2-[3-[[(2S)-4-[[[(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (E)-2-propylpent-2-enethioate",C29H48N7O17P3S,891.716,5
Q47459034,131769930,"2,3-Diene-Valproic acid-CoA","S-[2-[3-[[4-[[[(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (E)-2-propylpent-3-enethioate",C29H47N7O17P3S,890.708,4
Q47459039,131769938,3-Hydroxyvalproic acid CoA,"S-[2-[3-[[(2S)-4-[[[(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-hydroxy-2-propylpentanethioate",C29H50N7O18P3S,909.731,5
Q47459037,131769935,3-Ene-Valproic acid CoA,"S-[2-[3-[[4-[[[(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (E)-2-propylpent-3-enethioate",C29H48N7O17P3S,891.716,4
Q47459042,131769959,Cyclic 6-Hydroxymelatonin,"1-(6-hydroxy-7-methoxy-2,4-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)ethanone",C13H14N2O3,246.266,0
Q47459043,131769983,Valproic acid CoA,"S-[2-[3-[[4-[[[(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-propylpentanethioate",C29H50N7O17P3S,893.732,4
Q47459040,131769940,3-Oxo-Valproic acid CoA,"S-[2-[3-[[(2S)-4-[[[(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-oxo-2-propylpentanethioate",C29H48N7O18P3S,907.715,5
Q47459041,131769943,4-Ene-Valproic acid CoA,"S-[2-[3-[[(2S)-4-[[[(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-propylpent-4-enethioate",C29H48N7O17P3S,891.716,5
Q47459078,53481447,"(5R,6Z,8E,12R,14Z)-5,12,20,20-Tetrahydroxyicosa-6,8,14-trienoic acid","(5R,6Z,8E,12R,14Z)-5,12,20,20-tetrahydroxyicosa-6,8,14-trienoic acid",C20H34O6,370.486,2
Q47459079,53481470,"(5R,6R,7E,9E,11Z)-5,6-Dihydroxy-15-oxoicosa-7,9,11-trienoic acid","(5R,6R,7E,9E,11Z)-5,6-dihydroxy-15-oxoicosa-7,9,11-trienoic acid",C20H32O5,352.471,2
Q47459077,53481399,Phytosphingosine-1-P,"[(2R,3R,4R)-2-amino-3,4-dihydroxyoctadecyl] dihydrogen phosphate",C18H40NO6P,397.493,3
Q47459174,5460164,Retinyl ester,"(2E,4E,6E,8E)-3,7-dimethyl-9-(2,2,6-trimethylcyclohexyl)nona-2,4,6,8-tetraenoic acid",C20H30O2,302.458,0
Q47459177,4369188,alpha-Carotene,"1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene",C40H56,536.888,0
Q47459280,102926,D-Manno-2-Heptulose,"1,3,4,5,6,7-hexahydroxyheptan-2-one",C7H14O7,210.182,0
Q47459418,6857386,Dihydroxyacetone phosphate acyl ester,(2-oxo-3-phosphonooxypropyl) formate,C4H7O7P,198.067,0
Q47459420,641637,2-Hydroxy-3-phenylpropenoate,(Z)-2-hydroxy-3-phenylprop-2-enoic acid,C9H8O3,164.16,0
Q47459670,9815515,5'-Hydroxycotinine,(5R)-5-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one,C10H12N2O2,192.218,1
Q55168356,439217,Glucosamine 6-phosphate,"[(2R,3S,4R,5R,6S)-5-amino-3,4,6-trihydroxyoxan-2-yl]methyl dihydrogen phosphate",C6H14NO8P,259.151,5
Q55168710,150855,Deoxycytidine 5'-diphosphate,"[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate",C9H15N3O10P2,387.178,3
Q55177068,93072,N-Carbamoylaspartic acid,(2S)-2-(carbamoylamino)butanedioic acid,C5H8N2O5,176.128,1
Q55286252,129643906,l-Ribo-d-manno-nonose,"(2S,3S,4R,5R,6S,7S,8S)-2,3,4,5,6,7,8,9-octahydroxynonanal",C9H18O9,270.234,7
Q55318661,42509,Binedaline hydrochloride,dimethyl-[2-[methyl-(3-phenylindol-1-yl)amino]ethyl]azanium;chloride,C19H24ClN3,329.872,0
Q55318871,9690121,Cefmatilen hydrochloride monohydrate,"(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-8-oxo-3-(2H-triazol-4-ylsulfanylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrate;hydrochloride",C15H17ClN8O6S4,569.041,2
Q55379092,10962144,Benzeneruthenium(II) chloride dimer,benzene;dichlororuthenium,C12H12Cl4Ru2,500.168,0
Q55381299,132472361,A-234 Nerve agent,"N'-[ethoxy(fluoro)phosphoryl]-N,N-diethylethanimidamide",C8H18FN2O2P,224.216,0
Q55572210,23689558,Caesium trifluoroacetate,"cesium;2,2,2-trifluoroacetate",C2CsF3O2,245.921,0
Q55573314,12621,Tetramethylammonium tetrafluoroborate,tetramethylazanium;tetrafluoroborate,C4H12BF4N,160.951,0
Q55573665,10197721,Tetramethylammonium bicarbonate,hydrogen carbonate;tetramethylazanium,C5H13NO3,135.163,0
Q55573807,2737634,Aluminum trifluoromethanesulfonate,aluminum;trifluoromethanesulfonate,C3AlF9O9S3,474.171,0
Q55574159,17337,Tetramethylammonium perchlorate,tetramethylazanium;perchlorate,C4H12ClNO4,173.593,0
Q55574227,74723,Tetrabutylammonium perchlorate,tetrabutylazanium;perchlorate,C16H36ClNO4,341.917,0
Q55582818,776222,"1,2-Di(4-pyridyl)ethylene",4-[(E)-2-pyridin-4-ylethenyl]pyridine,C12H10N2,182.226,0
Q55582895,336309,"1,2-Di(pyridin-4-yl)ethyne",4-(2-pyridin-4-ylethynyl)pyridine,C12H8N2,180.21,0
Q55583610,61765,Nickel fluoroborate,nickel(2+);ditetrafluoroborate,B2F8Ni,232.301,0
Q55636107,12127156,"Ethane-1,2-diamine;trichlorocobalt","ethane-1,2-diamine;trichlorocobalt",C4H16Cl3CoN4,285.483,0
Q55646261,70473,Bis(trimethylsilyl)carbodiimide,"N,N'-bis(trimethylsilyl)methanediimine",C7H18N2Si2,186.405,0
Q55761006,216247,"2-[1-(3-Benzo[b][1]benzazepin-11-ylpropyl)-5H-1,4-diazepin-4-yl]ethanol","2-[1-(3-benzo[b][1]benzazepin-11-ylpropyl)-5H-1,4-diazepin-4-yl]ethanol",C24H27N3O,373.5,0
Q55765627,14535462,"Hydroxylamine, hydrobromide",hydroxylamine;hydrobromide,BrH4NO,113.942,0
Q55862281,5313387,PSVRFUPOQYJOOZ-QNPWAGBNSA-O,"2-[hydroxy-[(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-octadecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium",C46H85NO8P+,811.159,1
Q55879537,1750826,TXJZRSRTYPUYRW-NQIIRXRSSA-N,"methyl (1S,3R)-2-(2-chloroacetyl)-1-(4-methoxycarbonylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate",C23H21ClN2O5,440.88,2
Q55927515,101608815,HGCOILRQOIIUJW-ICTMVFLBSA-N,"(2S,3S,4S,5R,6S)-6-[[(8R,9S,13S,14S,17S)-4,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid",C24H32O9,464.511,10
Q55939056,68051,Lupulon,"3,5-dihydroxy-2-(3-methylbutanoyl)-4,6,6-tris(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one",C26H38O4,414.586,0
Q55971997,6420382,"9-(Hydroxymethyl)-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-1,8-diol","9-(hydroxymethyl)-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-1,8-diol",C21H30O4,346.467,0
Q55997769,11533,1-Bromopropene,1-bromoprop-1-ene,C3H5Br,120.977,0
Q56045805,78310,"1,8-Dibromooctane","1,8-dibromooctane",C8H16Br2,272.024,0
Q56558701,5257656,FVDGMBFXSFSQOU-UHFFFAOYSA-N,N/A,C16H8,200.24,0
Q56702336,67564,Octafluoronaphthalene,"1,2,3,4,5,6,7,8-octafluoronaphthalene",C10F8,272.097,0
Q56831425,522075,"ZINC, dipropyl-",zinc;propane,C6H14Zn,151.558,0
Q57207804,12521357,2-Methoxyethylmercury chloride,chloro(2-methoxyethyl)mercury,C3H7ClHgO,295.13,0
Q57421096,71608325,Dolabriferol B,"[(2R,3S,4S,5S,6S)-2,6-diethyl-2-hydroxy-3,5-dimethyloxan-4-yl] (2R,3R,4S)-3-hydroxy-2,4-dimethyl-5-oxoheptanoate",C20H36O6,372.502,8
Q57741566,9576089,Alliin,(2R)-2-amino-3-[(S)-prop-2-enylsulfinyl]propanoic acid,C6H11NO3S,177.218,2
Q671,6328145,Francium,francium,Fr,223.02,0
Q979,6328143,Polonium,polonium,Po,208.982,0
Q1102,23940,Plutonium,plutonium,Pu,244.064,0
Q1105,23933,Neptunium,neptunium,Np,237.048,0
Q1128,6328144,Radium,radium,Ra,226.025,0
Q1133,24857,Radon,radon,Rn,222.018,0
Q1809,23944,Promethium,promethium,Pm,144.913,0
Q1872,23966,Americium,americium,Am,243.061,0
Q1882,23971,Berkelium,berkelium,Bk,247.07,0
Q1888,23997,Californium,californium,Cf,251.08,0
Q1892,23913,Einsteinium,einsteinium,Es,252.083,0
Q1898,23943,Mendelevium,mendelevium,Md,258.098,0
Q1901,24822,Nobelium,nobelium,No,259.101,0
Q1905,31192,Lawrencium,lawrencium,Lr,261.107,0
Q7762,5315615,"2-[(3,4-Dihydroxycinnamoyl)oxy]-3-(3,4-dihydroxyphenyl)propionic acid","3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid",C18H16O8,360.318,0
Q19414,26049,3-Carene,"4,7,7-trimethylbicyclo[4.1.0]hept-3-ene",C10H16,136.238,0
Q26272,174174,Atropine,"[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate",C17H23NO3,289.375,2
Q26979,5489946,Aluminum;(E)-1-ethoxy-3-oxobut-1-en-1-olate,aluminum;(E)-1-ethoxy-3-oxobut-1-en-1-olate,C18H27AlO9,414.387,0
Q27267,74413,Allylmagnesium bromide,magnesium;prop-1-ene;bromide,C3H5BrMg,145.282,0
Q29428,72165,Tropisetron,"[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate",C17H20N2O2,284.359,2
Q44944,5487301,1-[[(Z)-[5-(Hydroxymethyl)indol-3-ylidene]methyl]amino]-2-pentylguanidine,1-[[(Z)-[5-(hydroxymethyl)indol-3-ylidene]methyl]amino]-2-pentylguanidine,C16H23N5O,301.394,0
Q45044,91886505,Magnesium citrate,magnesium;2-(carboxymethyl)-2-hydroxybutanedioate,C6H6MgO7,214.412,0
Q60457,118170,Solvent yellow 124,N-ethyl-N-[2-[1-(2-methylpropoxy)ethoxy]ethyl]-4-phenyldiazenylaniline,C22H31N3O2,369.509,0
Q60479,6093186,CID 6093186,"sodium;4-[(2Z)-2-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonate",C12H9N2NaO5S,316.263,0
Q61184,25435,Desmosine,"2-amino-6-[4-(4-amino-4-carboxybutyl)-3,5-bis(3-amino-3-carboxypropyl)pyridin-1-ium-1-yl]hexanoic acid",C24H40N5O8+,526.611,0
Q61416,33576,ADP-D-ribose,"[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl hydrogen phosphate",C15H23N5O14P2,559.318,7
Q47459671,439549,"(2S)-5,6-Dioxo-2,4,5,6-tetrahydro-1H-indole-2-carboxylic acid","(2S)-5,6-dioxo-2,4-dihydro-1H-indole-2-carboxylic acid",C9H7NO4,193.158,1
Q47459681,431,Nicotine imine,"3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-2-yl)pyridine",C10H13N2+,161.228,0
Q48072534,78964,"2,3-Dioxabicyclo[2.2.1]heptane","2,3-dioxabicyclo[2.2.1]heptane",C5H8O2,100.117,0
Q48072720,135983,Spiro[5.5]undecane,spiro[5.5]undecane,C11H20,152.281,0
Q48791494,10945834,(+)-Heptelidic acid,"(5aS,6R,9S,9aS)-1-oxo-6-propan-2-ylspiro[3,5a,6,7,8,9a-hexahydro-2-benzoxepine-9,2'-oxirane]-4-carboxylic acid",C15H20O5,280.32,4
Q48937421,15335708,Yttrium perchlorate,yttrium(3+);triperchlorate,Cl3O12Y,387.244,0
Q48937495,7939,2-Amino-4-methylpyrimidine,4-methylpyrimidin-2-amine,C5H7N3,109.132,0
Q48937505,25021850,Dilithium;dioxido(oxo)manganese,dilithium;dioxido(oxo)manganese,Li2MnO3,116.815,0
Q48937576,166978,Cerium(3+) perchlorate,cerium(3+);triperchlorate,CeCl3O12,438.454,0
Q48937577,11013318,Scandium(3+) perchlorate,scandium(3+);triperchlorate,Cl3O12Sc,343.294,0
Q48937712,13783607,Neodymium(3+) perchlorate,neodymium(3+);triperchlorate,Cl3NdO12,442.58,0
Q48937895,168383,Terbium(3+) acetate,terbium(3+);triacetate,C6H9O6Tb,336.057,0
Q48937922,271443,Trinaphthalen-1-ylphosphane,trinaphthalen-1-ylphosphane,C30H21P,412.472,0
Q48937921,2754314,Trinaphthalen-2-ylphosphane,trinaphthalen-2-ylphosphane,C30H21P,412.472,0
Q48937935,83685,Barium chlorofluoride,barium(2+);chloride;fluoride,BaClF,191.775,0
Q48937954,11789120,Sodium;aminoazanide,sodium;aminoazanide,H3N2Na,54.028,0
Q48937962,53590,(4-Aminophenyl)phosphonic acid,(4-aminophenyl)phosphonic acid,C6H8NO3P,173.108,0
Q48937972,68981,Ethanedithioic acid,ethanedithioic acid,C2H4S2,92.174,0
Q48938035,219659,"2,3,4,5,6,7,8-Heptahydroxyoctanal","2,3,4,5,6,7,8-heptahydroxyoctanal",C8H16O8,240.208,0
Q48938038,102060354,d-Glycero-d-manno-octulose,"(3S,4S,5R,6R,7R)-1,3,4,5,6,7,8-heptahydroxyoctan-2-one",C8H16O8,240.208,5
Q48938074,10154277,Chromium(2+);dinitrate,chromium(2+);dinitrate,CrN2O6,176.004,0
Q48938072,15851781,"2,2'-Dimethyl-4,4'-biphenyldicarboxylic acid",4-(4-carboxy-2-methylphenyl)-3-methylbenzoic acid,C16H14O4,270.284,0
Q48938073,246698,"4,4'-Dimethyl[1,1'-biphenyl]-2,2'-dicarboxylic acid",2-(2-carboxy-4-methylphenyl)-5-methylbenzoic acid,C16H14O4,270.284,0
Q48938091,131873617,"Copper,pentane-2,4-dione",N/A,C5H7CuO2,162.655,0
Q48938091,15978231,"Copper; pentane-2,4-dione","copper;pentane-2,4-dione",C5H8CuO2,163.663,0
Q48938091,409577,"Copper;pentane-2,4-dione","copper;pentane-2,4-dione",C5H8CuO2,163.663,0
Q48938115,44146570,Bismuth tri(perchlorate),bismuth;triperchlorate,BiCl3O12,507.318,0
Q48938229,71389717,"1,4-Diphenyl-2,3-dioxabicyclo[2.2.1]heptane","1,4-diphenyl-2,3-dioxabicyclo[2.2.1]heptane",C17H16O2,252.313,0
Q48996570,101271077,Prop-2-ynylidynesulfanium,prop-2-ynylidynesulfanium,C3S,68.093,0
Q49105219,123911,Phosphohistidine,(2S)-3-(1H-imidazol-5-yl)-2-(phosphonoamino)propanoic acid,C6H10N3O5P,235.136,1
Q49743135,459489,2H-Tetrazol-5-ylhydrazine,2H-tetrazol-5-ylhydrazine,CH4N6,100.085,0
Q50318230,11050836,1-(5-Phosphoribosyl)-ATP,"[[(2R,3S,4R,5R)-5-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-6-iminopurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate",C15H25N5O20P4,719.275,8
Q50318234,124158,"(6Ar,10aR)-1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromene-9-carbaldehyde","(6aR,10aR)-1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromene-9-carbaldehyde",C21H28O3,328.452,2
Q50318235,14130340,Desacetylthymoxamine O-sulfate,[4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenyl] hydrogen sulfate,C14H23NO5S,317.4,0
Q50318232,12097313,9(10)-EpOME,"8-[(2S,3R)-3-[(Z)-oct-2-enyl]oxiran-2-yl]octanoic acid",C18H32O3,296.451,2
Q50318233,122706646,Gro-P-ManNAc-GlcNAc-PP-undecaprenol,"[(2R,3R,4R,6R)-3-acetamido-5-[(2S,3S,4R,5S,6R)-3-acetamido-5-[[(2R)-2,3-dihydroxypropoxy]-oxidophosphoryl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] [oxido-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl] phosphate",C74H122N2O22P3-3,1484.703,10
Q50318238,16061128,"(+/-)-8-Hydroxy-5Z,9E,11Z,14Z,17Z-eicosapentaenoic acid","(5Z,9E,11Z,14Z,17Z)-8-hydroxyicosa-5,9,11,14,17-pentaenoic acid",C20H30O3,318.457,0
Q50318239,16061130,"(+/-)-11-Hydroxy-5Z,8Z,12E,14Z,17Z-eicosapentaenoic acid","(5Z,8Z,12E,14Z,17Z)-11-hydroxyicosa-5,8,12,14,17-pentaenoic acid",C20H30O3,318.457,0
Q50318236,157251,"1,2-Ethanediamine, N'-methyl-N-2-pyridinyl-N-(2-thienylmethyl)-","N-methyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine",C13H17N3S,247.36,0
Q50318237,16061090,11R-Hede,"(11R,12E,14Z)-11-hydroxyicosa-12,14-dienoic acid",C20H36O3,324.505,1
Q50318240,19103337,6-Hydroxy-1H-indole-3-carboxylic acid,6-hydroxy-1H-indole-3-carboxylic acid,C9H7NO3,177.159,0
Q50318241,20843328,"(9Z)-(13S)-12,13-Epoxyoctadeca-9,11,15-trienoate","(Z,11Z)-11-[(3S)-3-[(Z)-pent-2-enyl]oxiran-2-ylidene]undec-9-enoic acid",C18H28O3,292.419,1
Q50318254,25190962,8-[2-[(Z)-2-Pentenyl]-3-oxocyclopentyl]octanoic acid,8-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]octanoic acid,C18H30O3,294.435,0
Q50318255,25244639,CID 25244639,"(9Z,11E,15Z)-13-hydroperoxyoctadeca-9,11,15-trienoate",C18H29O4-,309.426,0
Q50318258,28093,Deacetylmoxisylyte,4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenol,C14H23NO2,237.343,0
Q50318259,295,ZOOGRGPOEVQQDX-UHFFFAOYSA-N,"2-amino-9-(2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-3H-purin-6-one",C10H12N5O7P,345.208,0
Q50318256,25244877,"(10E,12Z)-9-Hydroperoxyoctadeca-10,12-dienoate","(10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoate",C18H31O4-,311.442,0
Q50318257,25245037,Phosphoribosylformiminoaicar-phosphate,"[5-[(E)-[[5-carbamoyl-3-[3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]amino]methylideneamino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate",C15H25N5O15P2,577.333,0
Q50318263,5282944,"(10E,12Z)-9-Hydroxyoctadeca-10,12-dienoic acid","(10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid",C18H32O3,296.451,0
Q50318260,51678,Demethyldeacetylmoxisylyte,2-methyl-4-[2-(methylamino)ethoxy]-5-propan-2-ylphenol,C13H21NO2,223.316,0
Q50318261,5280701,"15-Oxo-5Z,8Z,11Z,13E-eicosatetraenoic acid","(5Z,8Z,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid",C20H30O3,318.457,0
Q50318266,53394261,(A+/-)14-HDoHE,"18-(3-ethylcyclopropen-1-yl)-14-hydroxyoctadeca-4,7,10,12,16-pentaenoic acid",C23H32O3,356.506,0
Q50318267,53394742,Lipoxin A5,"5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoic acid",C20H30O5,350.455,0
Q50318264,5282958,"9,10-Dihydroxy-12-octadecenoic acid","(E)-9,10-dihydroxyoctadec-12-enoic acid",C18H34O4,314.466,0
Q50318265,5312986,"15-Hydroxyeicosa-5,8,11,13-tetraenoic acid","(5E,8Z,11Z,13Z)-15-hydroxyicosa-5,8,11,13-tetraenoic acid",C20H32O3,320.473,0
Q50318270,5353364,"8,9-Epoxyeicosatrienoic acid","(E)-7-[3-[(2E,5E)-undeca-2,5-dienyl]oxiran-2-yl]hept-5-enoic acid",C20H32O3,320.473,0
Q50318271,77519415,Ipf2%7CA-IV,"(5E,8S)-10-[(1R,2S,3S,5R)-3,5-dihydroxy-2-pentylcyclopentyl]-8-hydroxydeca-5,9-dienoic acid",C20H34O5,354.487,5
Q50318268,53481398,Phosphoribulosylformimino-AICAR-P,"[(2S,3R,4S,5S)-5-[4-carbamoyl-5-[[(3R,4R)-3,4-dihydroxy-2-oxo-5-phosphonooxypentyl]iminomethylamino]imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate",C15H25N5O15P2,577.333,6
Q50318269,5353355,"5-Oxoicosa-6,8,11,14-tetraenoic acid","(6E,8E,11E,14E)-5-oxoicosa-6,8,11,14-tetraenoic acid",C20H30O3,318.457,0
Q50318274,854040,1-Methylindole-3-carboxylic acid,1-methylindole-3-carboxylic acid,C10H9NO2,175.187,0
Q50318275,90657396,GCEHZSFCBPUADZ-VJXVFPJBSA-N,"1-(4-hydroxyphenyl)-3-[2,4,6-trihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]propane-1,3-dione",C21H22O11,450.396,5
Q50318272,776,Histidinol,H-DL-His-ol,C6H11N3O,141.174,0
Q50318273,842006,Methyl 1-methylindole-3-carboxylate,methyl 1-methylindole-3-carboxylate,C11H11NO2,189.214,0
Q50318276,9576241,DNDNWOWHUWNBCK-NLDOEYRLSA-N,"[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-(1H-indol-3-yl)-N-sulfooxyethanimidothioate",C16H20N2O9S2,448.461,4
Q50362394,73323,Xanthylic acid,P-Xan-Ribf,C10H13N4O9P,364.207,4
Q50374674,5486775,"Iron(2+); pentane-2,4-dione",iron(2+);(Z)-4-oxopent-2-en-2-olate,C10H14FeO4,254.063,0
Q50380051,5281792,Rosmarinic acid,"(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid",C18H16O8,360.318,1
Q50666929,54683737,Silver salicylate,silver;2-carboxyphenolate,C7H5AgO3,244.982,0
Q50824517,3036780,Asenapine,N/A,C17H16ClNO,285.771,2
Q50825040,87054925,KJAAPZIFCQQQKX-MUUNZHRXSA-N,(2R)-2-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-3-(3-hydroxyphenyl)-4-methyl-2H-chromen-6-ol,C28H28FNO4,461.533,1
Q50825069,87055263,KJAAPZIFCQQQKX-NDEPHWFRSA-N,(2S)-2-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-3-(3-hydroxyphenyl)-4-methyl-2H-chromen-6-ol,C28H28FNO4,461.533,1
Q50825078,90410660,XYLPKCDRAAYATL-OAHLLOKOSA-N,N/A,C19H16N4O3,348.362,1
Q50825082,121293929,VJPPLCNBDLZIFG-ZDUSSCGKSA-N,"4-[(3S)-3-(but-2-ynoylamino)piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide",C20H23FN4O2,370.428,1
Q50825085,73388818,LCFFREMLXLZNHE-GBOLQPHISA-N,"(E)-2-[(3R)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]-4-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]pent-2-enenitrile",C36H40FN9O3,665.774,1
Q50825475,118574930,SJXNPGGVGZXKKI-NYYWCZLTSA-N,"(E)-3-[4-[[2-[2-(1,1-difluoroethyl)-4-fluorophenyl]-6-hydroxy-1-benzothiophen-3-yl]oxy]phenyl]prop-2-enoic acid",C25H17F3O4S,470.462,0
Q50825500,129116690,HVIGNZUDBVLTLU-MRXNPFEDSA-N,"(6R)-7-[(3,4-difluorophenyl)methyl]-6-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one",C24H24F2N8O2,494.507,1
Q51183115,150938,"1-Methoxycyclohepta-1,3,5-triene","1-methoxycyclohepta-1,3,5-triene",C8H10O,122.167,0
Q51183163,22278042,Nitric acid--2H-tetrazol-5-amine (1/1),nitric acid;2H-tetrazol-5-amine,CH4N6O3,148.082,0
Q51589793,644066,Malonyl-CoA,"3-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-3-oxopropanoic acid",C24H38N7O19P3S,853.579,5
Q51617465,102115505,Theaflavin 3'-gallate,"[(2R,3R)-5,7-dihydroxy-2-[3,4,5-trihydroxy-6-oxo-1-[(2S,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-8-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate",C36H28O16,716.604,4
Q51617468,102115506,Theaflavin 3-gallate,"[(2S,3S)-5,7-dihydroxy-2-[3,4,5-trihydroxy-6-oxo-8-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-1-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate",C36H28O16,716.604,4
Q51617472,1203,Epicatechin,"2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol",C15H14O6,290.271,0
Q51617477,17450,CID 17450,"5-amino-3-[[4-[4-[(8-amino-1-hydroxy-3,6-disulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid",C32H24N6O14S4,844.812,0
Q51617483,21722175,"1-(3,4-Dihydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)-2-propanol","2-[3-(3,4-dihydroxyphenyl)-2-hydroxypropyl]benzene-1,3,5-triol",C15H16O6,292.287,0
Q51617480,21146795,"Theaflavin-3,3'-digallate","[3-hydroxy-5-oxo-4-(3,4,5-trihydroxybenzoyl)oxy-1,8-bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-6-yl] 3,4,5-trihydroxybenzoate",C43H32O20,868.709,4
Q51617487,348454,"2,6-Dichloro-4-ethylphenol","2,6-dichloro-4-ethylphenol",C8H8Cl2O,191.051,0
Q51617490,49831816,"5-(3,4-Dihydroxyphenyl)pentanoic acid","5-(3,4-dihydroxyphenyl)pentanoic acid",C11H14O4,210.229,0
Q51617493,49844484,Isoferulic acid 3-O-glucuronide,"(2S,3S,4S,5R,6S)-6-[5-[(E)-2-carboxyethenyl]-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid",C16H18O10,370.31,5
Q51617497,6305574,Ferulic acid sulfate,(E)-3-(3-methoxy-4-sulfooxyphenyl)prop-2-enoic acid,C10H10O7S,274.243,0
Q51617501,709,3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid,3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid,C10H10O4,194.186,0
Q51617505,72277,Epigallocatechin,"(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol",C15H14O7,306.27,2
Q51617509,736189,2-[Benzyl(methyl)amino]-1-(4-hydroxy-3-methoxyphenyl)ethanone,2-[benzyl(methyl)amino]-1-(4-hydroxy-3-methoxyphenyl)ethanone,C17H19NO3,285.343,0
Q51617515,89285,1-(4-Methyloxan-2-yl)propan-2-one,1-(4-methyloxan-2-yl)propan-2-one,C9H16O2,156.225,0
Q52127528,15952561,Gold(3+) triacetate,gold(3+);triacetate,C6H9AuO6,374.099,0
Q52773313,81589,Ethyl 4-cyanobenzoate,ethyl 4-cyanobenzoate,C10H9NO2,175.187,0
Q53818335,132274735,SOXNKJCQBRQUMS-UHFFFAOYSA-N,"1-[5-[3,4-difluoro-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methylindazol-3-yl]-N,N-dimethylmethanamine",C25H29F2N5O,453.538,0
Q55077760,126456515,9-(9Z-Hexadecenoyloxy)-octadecanoic acid,9-[(Z)-hexadec-9-enoyl]oxyoctadecanoic acid,C34H64O4,536.882,0
Q55167839,53709010,N-(3-Amino-3-oxopropyl)-L-valine,(2S)-2-[(3-amino-3-oxopropyl)amino]-3-methylbutanoic acid,C8H16N2O3,188.227,1
Q55167836,443844,"Methyl (3S,4R)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate","methyl (3S,4R)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate",C10H17NO3,199.25,2
Q55167837,157849,N-Acetyl-S-(2-carbamoylethyl)cysteine,(2R)-2-acetamido-3-(3-amino-3-oxopropyl)sulfanylpropanoic acid,C8H14N2O4S,234.27,1

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