primary_name,cas_number,cid,iupac_name,canonical_smiles,inchi,inchi_key,molecular_formula,molecular_weight,exact_mass,xlogp,tpsa,complexity,charge,h_bond_donor_count,h_bond_acceptor_count,rotatable_bond_count,heavy_atom_count,flash_point,boiling_point,acute_aquatic_toxicity,acute_toxicity_dermal,acute_toxicity_inhalation,acute_toxicity_oral,aspiration_hazard,carcinogenicity,chronic_aquatic_toxicity,eye_damage_irritation,flammable_liquids,flammable_solids,germ_cell_mutagenicity,metal_corrosion,organic_peroxides,reproductive_toxicity,respiratory_sensitization,self_reactive_substances,skin_corrosion_irritation,skin_sensitization,stot_repeated_exposure,stot_single_exposure
CHLORINE PENTAFLUORIDE,013637-63-3,61654,pentafluoro-lambda5-chlorane,FCl(F)(F)(F)F,"InChI=1S/ClF5/c2-1(3,4,5)6",KNSWNNXPAWSACI-UHFFFAOYSA-N,ClF5,130.44,129.9608685,3.6,0,37,0,0,5,0,6,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
BROMINE PENTAFLUORIDE,007789-30-2,24606,pentafluoro-lambda5-bromane,FBr(F)(F)(F)F,"InChI=1S/BrF5/c2-1(3,4,5)6",XHVUVQAANZKEKF-UHFFFAOYSA-N,BrF5,174.9,173.91035,3.7,0,37,0,0,5,0,6,,"106 °F at 760 mmHg (USCG, 1999)",0,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
Trimethylolethane-trinitrate,003032-55-1,76423,[2-methyl-3-nitrooxy-2-(nitrooxymethyl)propyl] nitrate,CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],"InChI=1S/C5H9N3O9/c1-5(2-15-6(9)10,3-16-7(11)12)4-17-8(13)14/h2-4H2,1H3",IPPYBNCEPZCLNI-UHFFFAOYSA-N,C5H9N3O9,255.14,255.0338789,1.7,165,243,0,0,9,6,17,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"HYDROXYLAMINE, PERCHLORATE (SALT)",015588-62-2,167307,hydroxylamine;perchloric acid,NO.OCl(=O)(=O)=O,"InChI=1S/ClHO4.H3NO/c2-1(3,4)5;1-2/h(H,2,3,4,5);2H,1H2",BMMNWPYKMOFBBE-UHFFFAOYSA-N,ClH4NO5,133.49,132.9777999,,118,116,0,3,6,0,7,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"PETN, WETTED",000078-11-5,6518,"[3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate",C(C(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])O[N+](=O)[O-],"InChI=1S/C5H8N4O12/c10-6(11)18-1-5(2-19-7(12)13,3-20-8(14)15)4-21-9(16)17/h1-4H2",TZRXHJWUDPFEEY-UHFFFAOYSA-N,C5H8N4O12,316.14,316.0138717,1.4,220,311,0,0,12,8,21,,Explodes at 205-215 °C,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
MERCURY CYANIDE OXIDE (HG2(CN)2O),001335-31-5,56843208,cyano(cyanomercuriooxy)mercury,C(#N)[Hg]O[Hg]C#N,InChI=1S/2CN.2Hg.O/c2*1-2;;;,FWJGYFKCKCRGIV-UHFFFAOYSA-N,C2Hg2N2O,469.22,469.940033,,56.8,111,0,0,3,2,7,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
HYDROGEN,001333-74-0,783,molecular hydrogen,[HH],InChI=1S/H2/h1H,UFHFLCQGNIYNRP-UHFFFAOYSA-N,H2,2.016,2.015650064,0,0,0,0,0,0,0,0,Flammable gas,"-423 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ACETYLENE (DISSOLVED),000074-86-2,6326,acetylene,C#C,InChI=1S/C2H2/c1-2/h1-2H,HSFWRNGVRCDJHI-UHFFFAOYSA-N,C2H2,26.04,26.01565006,0.4,0,8,0,0,0,0,2,0 °F,"-119 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
HYDROGEN SELENIDE (ANHYDROUS GAS),007783-07-5,533,selane,[SeH2],InChI=1S/H2Se/h1H2,SPVXKVOXSXTJOY-UHFFFAOYSA-N,H2Se,80.99,81.93217,,0,0,0,0,0,0,1,Flammable gas,"-42.3 °F at 760 mmHg (EPA, 1998)",1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
METHYL VINYL ETHER,000107-25-5,7861,methoxyethene,COC=C,"InChI=1S/C3H6O/c1-3-4-2/h3H,1H2,2H3",XJRBAMWJDBPFIM-UHFFFAOYSA-N,C3H6O,58.08,58.04186481,0.8,9.2,17,0,0,1,1,4,"-69 °F (USCG, 1999)","41.9 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
METHANE-D,000676-49-3,12669,deuteriomethane,[2H]C,InChI=1S/CH4/h1H4/i1D,VNWKTOKETHGBQD-MICDWDOJSA-N,CH4,17.049,17.03757687,0.6,0,0,0,0,0,0,1,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PROPENE-D6,001517-52-8,137051,"1,1,2,3,3,3-hexadeuterioprop-1-ene",[2H]C(=C([2H])C([2H])([2H])[2H])[2H],"InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3/i1D2,2D3,3D",QQONPFPTGQHPMA-QNYGJALNSA-N,C3H6,48.12,48.08461067,1.4,0,7,0,0,0,0,3,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ACETYLENE-D2,001070-74-2,136829,"1,2-dideuterioethyne",[2H]C#C[2H],"InChI=1S/C2H2/c1-2/h1-2H/i1D,2D",HSFWRNGVRCDJHI-QDNHWIQGSA-N,C2H2,28.05,28.02820356,0.4,0,8,0,0,0,0,2,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"TRANS-1,3,3,3-TETRAFLUOROPROP-1-ENE",001645-83-6,2776729,"1,3,3,3-tetrafluoroprop-1-ene",C(=CF)C(F)(F)F,"InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H",CDOOAUSHHFGWSA-UHFFFAOYSA-N,C3H2F4,114.04,114.0092627,1.7,0,69,0,0,4,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIMETHYL-D9-AMINE,013960-80-0,16213270,"1,1,1-trideuterio-N,N-bis(trideuteriomethyl)methanamine",[2H]C([2H])([2H])N(C([2H])([2H])[2H])C([2H])([2H])[2H],"InChI=1S/C3H9N/c1-4(2)3/h1-3H3/i1D3,2D3,3D3",GETQZCLCWQTVFV-GQALSZNTSA-N,C3H9N,68.17,68.12999001,0.3,3.2,8,0,0,1,0,4,,,0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
BROMOTRIFLUORETHYLENE,000598-73-2,11730,"1-bromo-1,2,2-trifluoroethene",C(=C(F)Br)(F)F,InChI=1S/C2BrF3/c3-1(4)2(5)6,AYCANDRGVPTASA-UHFFFAOYSA-N,C2BrF3,160.92,159.91355,1.9,0,72,0,0,3,0,6,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SILANE, DIMETHYL-",001111-74-6,6327141,,C[Si]C,InChI=1S/C2H6Si/c1-3-2/h1-2H3,JZZIHCLFHIXETF-UHFFFAOYSA-N,C2H6Si,58.15,58.02387673,,0,2,0,0,0,0,3,,,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
TRANS-2-BUTENE,000624-64-6,62695,(E)-but-2-ene,C/C=C/C,"InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+",IAQRGUVFOMOMEM-ONEGZZNKSA-N,C4H8,56.11,56.06260026,2.3,0,15,0,0,0,0,4,-19.99 °C (-3.98 °F) - closed cup,3.73 °C at 760 mm Hg /cis-2-Butene/,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,3-DIMETHYLBUTYNE",000917-92-0,13512,"3,3-dimethylbut-1-yne",CC(C)(C)C#C,"InChI=1S/C6H10/c1-5-6(2,3)4/h1H,2-4H3",PPWNCLVNXGCGAF-UHFFFAOYSA-N,C6H10,82.14,82.07825032,2.2,0,73,0,0,0,1,6,,,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
2-METHYLBUTANE-D12,013351-96-7,168476670,"1,1,1,2,2,3,4,4,4-nonadeuterio-3-(trideuteriomethyl)butane",[2H]C([2H])([2H])C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H],"InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3/i1D3,2D3,3D3,4D2,5D",QWTDNUCVQCZILF-WWKUACGSSA-N,C5H12,84.22,84.16922133,2.6,0,14,0,0,0,1,5,,,0,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,1
METHYL (2H)FORMATE,023731-38-6,3084408,methyl deuterioformate,[2H]C(=O)OC,"InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3/i2D",TZIHFWKZFHZASV-VMNATFBRSA-N,C2H4O2,61.06,61.02740611,0,26.3,18,0,0,2,1,4,,,0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
"1,4-PENTADIENE",000591-93-5,11587,"penta-1,4-diene",C=CCC=C,"InChI=1S/C5H8/c1-3-5-4-2/h3-4H,1-2,5H2",QYZLKGVUSQXAMU-UHFFFAOYSA-N,C5H8,68.12,68.06260026,2.5,0,29,0,0,0,2,5,"40 °F (USCG, 1999)","78.8 °F at 760 mmHg (USCG, 1999)",0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2,2-DIMETHYLOCTANE",015869-87-1,85150,"2,2-dimethyloctane",CCCCCCC(C)(C)C,"InChI=1S/C10H22/c1-5-6-7-8-9-10(2,3)4/h5-9H2,1-4H3",GPBUTTSWJNPYJL-UHFFFAOYSA-N,C10H22,142.28,142.1721507,5.2,0,66,0,0,0,5,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
ETHANETHIOL,000075-08-1,6343,ethanethiol,CCS,"InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3",DNJIEGIFACGWOD-UHFFFAOYSA-N,C2H6S,62.14,62.01902136,0.9,1,2,0,1,1,0,3,"less than 0 °F (USCG, 1999)","93.9 °F at 760 mmHg (USCG, 1999)",1,0,1,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
TRICHLOROSILANE,010025-78-2,24811,trichlorosilane,[SiH](Cl)(Cl)Cl,InChI=1S/Cl3HSi/c1-4(2)3/h4H,ZDHXKXAHOVTTAH-UHFFFAOYSA-N,Cl3HSi,135.45,133.89131,,0,8,0,0,0,0,4,"greater than -58 °F (USCG, 1999)","90 °F at 760 mmHg (USCG, 1999)",0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
METHYL ACETATE,000079-20-9,6584,methyl acetate,CC(=O)OC,InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3,KXKVLQRXCPHEJC-UHFFFAOYSA-N,C3H6O2,74.08,74.03677943,0.2,26.3,40,0,0,2,1,5,"14 °F (NTP, 1992)","134.4 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
PROPIONITRILE,000107-12-0,7854,propanenitrile,CCC#N,"InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3",FVSKHRXBFJPNKK-UHFFFAOYSA-N,C3H5N,55.08,55.04219916,0.2,23.8,38,0,0,1,0,4,"35.6 °F (EPA, 1998)","207 °F at 760 mmHg (EPA, 1998)",0,1,1,1,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0
ETHYL ACETATE,000141-78-6,8857,ethyl acetate,CCOC(=O)C,"InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3",XEKOWRVHYACXOJ-UHFFFAOYSA-N,C4H8O2,88.11,88.05242949,0.7,26.3,49,0,0,2,2,6,"24 °F (NTP, 1992)","171 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
ALLYL ALCOHOL,000107-18-6,7858,prop-2-en-1-ol,C=CCO,"InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2",XXROGKLTLUQVRX-UHFFFAOYSA-N,C3H6O,58.08,58.04186481,0.2,20.2,17,0,1,1,1,4,"71.6 °F (EPA, 1998)","206 °F at 760 mmHg (EPA, 1998)",1,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
METHYLAL,000109-87-5,8020,dimethoxymethane,COCOC,"InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3",NKDDWNXOKDWJAK-UHFFFAOYSA-N,C3H8O2,76.09,76.05242949,0.2,18.5,12,0,0,2,2,5,"0 °F (USCG, 1999)","108 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
METHYL ISOPROPYL KETONE,000563-80-4,11251,3-methylbutan-2-one,CC(C)C(=O)C,"InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3",SYBYTAAJFKOIEJ-UHFFFAOYSA-N,C5H10O,86.13,86.07316494,0.8,17.1,55,0,0,1,1,6,"43 °F (USCG, 1999)","201 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
BUTYLAMINE,000109-73-9,8007,butan-1-amine,CCCCN,"InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3",HQABUPZFAYXKJW-UHFFFAOYSA-N,C4H11N,73.14,73.08914936,1,26,13,0,1,1,2,5,"10 °F (NTP, 1992)","172.4 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
IRON PENTACARBONYL,013463-40-6,26040,formaldehyde;iron,C=O.C=O.C=O.C=O.C=O.[Fe],InChI=1S/5CO.Fe/c5*1-2;,FYOFOKCECDGJBF-UHFFFAOYSA-N,C5FeO5,195.9,195.909509,,85.4,2,0,0,5,0,11,"5 °F (EPA, 1998)","216.8 °F at 749 mmHg (EPA, 1998)",0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0
TRICHLOROMETHYLSILANE,000075-79-6,6399,trichloro(methyl)silane,C[Si](Cl)(Cl)Cl,"InChI=1S/CH3Cl3Si/c1-5(2,3)4/h1H3",JLUFWMXJHAVVNN-UHFFFAOYSA-N,CH3Cl3Si,149.47,147.90696,,0,28,0,0,0,0,5,"15 °F (EPA, 1998)","152 °F at 760 mmHg (EPA, 1998)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"CIS-1,2-DICHLOROETHYLENE",000156-59-2,643833,"(Z)-1,2-dichloroethene",C(=C\Cl)\Cl,InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-,KFUSEUYYWQURPO-UPHRSURJSA-N,C2H2Cl2,96.94,95.9533555,1.9,0,19,0,0,0,0,4,"39 °F (NTP, 1992)","140 °F at 760 mmHg (NTP, 1992)",0,0,1,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
DIALLYLAMINE,000124-02-7,31279,N-prop-2-enylprop-2-en-1-amine,C=CCNCC=C,"InChI=1S/C6H11N/c1-3-5-7-6-4-2/h3-4,7H,1-2,5-6H2",DYUWTXWIYMHBQS-UHFFFAOYSA-N,C6H11N,97.16,97.08914936,1.1,12,49,0,1,1,4,7,21 °C,"232 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
ETHYL METHACRYLATE,000097-63-2,7343,ethyl 2-methylprop-2-enoate,CCOC(=O)C(=C)C,"InChI=1S/C6H10O2/c1-4-8-6(7)5(2)3/h2,4H2,1,3H3",SUPCQIBBMFXVTL-UHFFFAOYSA-N,C6H10O2,114.14,114.0680796,1.9,26.3,105,0,0,2,3,8,"60 °F (NTP, 1992)","243 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,1,0,1
METHYL PROPIONATE,000554-12-1,11124,methyl propanoate,CCC(=O)OC,"InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3",RJUFJBKOKNCXHH-UHFFFAOYSA-N,C4H8O2,88.11,88.05242949,0.8,26.3,49,0,0,2,2,6,"28 °F (NTP, 1992)","175.5 °F at 760 mmHg (NTP, 1992)",0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
CHLOROTRIMETHYLSILANE,000075-77-4,6397,chloro(trimethyl)silane,C[Si](C)(C)Cl,"InChI=1S/C3H9ClSi/c1-5(2,3)4/h1-3H3",IJOOHPMOJXWVHK-UHFFFAOYSA-N,C3H9ClSi,108.64,108.0162045,,0,28,0,0,0,0,5,"0 °F (EPA, 1998)","135 °F at 760 mmHg (EPA, 1998)",0,1,1,1,0,1,0,0,1,0,0,0,0,0,0,0,1,0,0,0
ISOPROPYL PROPIONATE,000637-78-5,12508,propan-2-yl propanoate,CCC(=O)OC(C)C,"InChI=1S/C6H12O2/c1-4-6(7)8-5(2)3/h5H,4H2,1-3H3",IJMWOMHMDSDKGK-UHFFFAOYSA-N,C6H12O2,116.16,116.0837296,1.4,26.3,76,0,0,2,3,8,,108.00 to 111.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"N,N,N',N'-TETRAMETHYLDIAMINOMETHANE",000051-80-9,5829,"N,N,N',N'-tetramethylmethanediamine",CN(C)CN(C)C,"InChI=1S/C5H14N2/c1-6(2)5-7(3)4/h5H2,1-4H3",VGIVLIHKENZQHQ-UHFFFAOYSA-N,C5H14N2,102.18,102.1156985,0.4,6.5,35,0,0,2,2,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
ISOBUTYRYL CHLORIDE,000079-30-1,62325,2-methylpropanoyl chloride,CC(C)C(=O)Cl,"InChI=1S/C4H7ClO/c1-3(2)4(5)6/h3H,1-2H3",DGMOBVGABMBZSB-UHFFFAOYSA-N,C4H7ClO,106.55,106.0185425,1.8,17.1,58,0,0,1,1,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"2,4-HEXADIENE",000592-46-1,11600,"hexa-2,4-diene",CC=CC=CC,"InChI=1S/C6H10/c1-3-5-6-4-2/h3-6H,1-2H3",APPOKADJQUIAHP-UHFFFAOYSA-N,C6H10,82.14,82.07825032,2.8,0,48,0,0,0,1,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
1-HEXYNE,000693-02-7,12732,hex-1-yne,CCCCC#C,"InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3",CGHIBGNXEGJPQZ-UHFFFAOYSA-N,C6H10,82.14,82.07825032,2.4,0,53,0,0,0,2,6,,,0,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
BUTYL METHYL ETHER,000628-28-4,12338,1-methoxybutane,CCCCOC,"InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3",CXBDYQVECUFKRK-UHFFFAOYSA-N,C5H12O,88.15,88.088815,1.7,9.2,19,0,0,1,3,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
VINYL CHLOROFORMATE,005130-24-5,78808,ethenyl carbonochloridate,C=COC(=O)Cl,"InChI=1S/C3H3ClO2/c1-2-6-3(4)5/h2H,1H2",PQLFROTZSIMBKR-UHFFFAOYSA-N,C3H3ClO2,106.51,105.982157,1.7,26.3,69,0,0,2,2,6,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
ETHYLENE GLYCOL DIETHYL ETHER,000629-14-1,12375,"1,2-diethoxyethane",CCOCCOCC,"InChI=1S/C6H14O2/c1-3-7-5-6-8-4-2/h3-6H2,1-2H3",LZDKZFUFMNSQCJ-UHFFFAOYSA-N,C6H14O2,118.17,118.0993797,0.7,18.5,31,0,0,2,5,8,"95 °F (NTP, 1992)","250.5 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,1,0,0,0,0,1,0,0,0,0,0,0
CHLOROTRIMETHYLGERMANE,001529-47-1,73723,chloro(trimethyl)germane,C[Ge](C)(C)Cl,"InChI=1S/C3H9ClGe/c1-5(2,3)4/h1-3H3",ZZBNZZCHSNOXOH-UHFFFAOYSA-N,C3H9ClGe,153.19,153.9604557,,0,28,0,0,0,0,5,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
ETHANOL-D6,001516-08-1,102138,"1,1,1,2,2-pentadeuterio-2-deuteriooxyethane",[2H]C([2H])([2H])C([2H])([2H])O[2H],"InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3/i1D3,2D2,3D",LFQSCWFLJHTTHZ-LIDOUZCJSA-N,C2H6O,52.11,52.07952529,-0.1,20.2,2,0,1,1,0,3,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
1-CHLORO-3-METHYLBUTANE,000107-84-6,7893,1-chloro-3-methylbutane,CC(C)CCCl,"InChI=1S/C5H11Cl/c1-5(2)3-4-6/h5H,3-4H2,1-2H3",CZHLPWNZCJEPJB-UHFFFAOYSA-N,C5H11Cl,106.59,106.054928,2.5,0,25,0,0,0,2,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
NEOPENTYL BROMIDE,000630-17-1,12415,"1-bromo-2,2-dimethylpropane",CC(C)(C)CBr,"InChI=1S/C5H11Br/c1-5(2,3)4-6/h4H2,1-3H3",CQWYAXCOVZKLHY-UHFFFAOYSA-N,C5H11Br,151.04,150.00441,2.7,0,33,0,0,0,1,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
CIS-4-METHYL-2-PENTENE,000691-38-3,5326159,(Z)-4-methylpent-2-ene,C/C=C\C(C)C,"InChI=1S/C6H12/c1-4-5-6(2)3/h4-6H,1-3H3/b5-4-",LGAQJENWWYGFSN-PLNGDYQASA-N,C6H12,84.16,84.09390038,2.4,0,42,0,0,0,1,6,,,0,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2,3,4-TRIMETHYLPENTANE",000565-75-3,11269,"2,3,4-trimethylpentane",CC(C)C(C)C(C)C,"InChI=1S/C8H18/c1-6(2)8(5)7(3)4/h6-8H,1-5H3",RLPGDEORIPLBNF-UHFFFAOYSA-N,C8H18,114.23,114.1408506,3.7,0,45,0,0,0,2,8,,,1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,1
1-PENTYNE,000627-19-0,12309,pent-1-yne,CCCC#C,"InChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3",IBXNCJKFFQIKKY-UHFFFAOYSA-N,C5H8,68.12,68.06260026,2,0,44,0,0,0,1,5,,,0,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
CHLORODIMETHYLETHYLSILANE,006917-76-6,138863,chloro-ethyl-dimethylsilane,CC[Si](C)(C)Cl,"InChI=1S/C4H11ClSi/c1-4-6(2,3)5/h4H2,1-3H3",AVDUEHWPPXIAEB-UHFFFAOYSA-N,C4H11ClSi,122.67,122.0318546,,0,42,0,0,0,1,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
TERT-AMYL METHYL ETHER,000994-05-8,61247,2-methoxy-2-methylbutane,CCC(C)(C)OC,"InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3",HVZJRWJGKQPSFL-UHFFFAOYSA-N,C6H14O,102.17,102.1044651,1.6,9.2,48,0,0,1,2,7,-7 °C (19 °F) - closed cup,86.3 °C,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1
"2,3-DIMETHYL-2-BUTENE",000563-79-1,11250,"2,3-dimethylbut-2-ene",CC(=C(C)C)C,InChI=1S/C6H12/c1-5(2)6(3)4/h1-4H3,WGLLSSPDPJPLOR-UHFFFAOYSA-N,C6H12,84.16,84.09390038,2.9,0,50,0,0,0,0,6,,,0,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
DI-SEC-BUTYLAMINE,004444-67-1,4133797,N-butan-2-ylbutan-1-amine,CCCCNC(C)CC,"InChI=1S/C8H19N/c1-4-6-7-9-8(3)5-2/h8-9H,4-7H2,1-3H3",MWZXRLJDNKCYOQ-UHFFFAOYSA-N,C8H19N,129.24,129.1517496,2.3,12,52,0,1,1,5,9,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
BIS(TRIMETHYLSILYL)ACETYLENE,014630-40-1,84564,trimethyl(2-trimethylsilylethynyl)silane,C[Si](C)(C)C#C[Si](C)(C)C,"InChI=1S/C8H18Si2/c1-9(2,3)7-8-10(4,5)6/h1-6H3",ZDWYFWIBTZJGOR-UHFFFAOYSA-N,C8H18Si2,170.4,170.0947036,,0,149,0,0,0,2,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
ETHYL BROMODIFLUOROACETATE,000667-27-6,69585,"ethyl 2-bromo-2,2-difluoroacetate",CCOC(=O)C(F)(F)Br,"InChI=1S/C4H5BrF2O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3",IRSJDVYTJUCXRV-UHFFFAOYSA-N,C4H5BrF2O2,202.98,201.9441,1.6,26.3,115,0,0,4,3,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
DI-TERT-BUTYL DICARBONATE,024424-99-5,90495,tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate,CC(C)(C)OC(=O)OC(=O)OC(C)(C)C,"InChI=1S/C10H18O5/c1-9(2,3)14-7(11)13-8(12)15-10(4,5)6/h1-6H3",DYHSDKLCOJIUFX-UHFFFAOYSA-N,C10H18O5,218.25,218.1154237,2.7,61.8,218,0,0,5,6,15,,,0,0,1,0,0,0,0,1,1,1,0,0,0,0,0,0,1,1,0,1
CHLORODIMETHYLVINYLSILANE,001719-58-0,519368,chloro-ethenyl-dimethylsilane,C[Si](C)(C=C)Cl,"InChI=1S/C4H9ClSi/c1-4-6(2,3)5/h4H,1H2,2-3H3",XSDCTSITJJJDPY-UHFFFAOYSA-N,C4H9ClSi,120.65,120.0162045,,0,58,0,0,0,1,6,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
1-HEPTYNE,000628-71-7,12350,hept-1-yne,CCCCCC#C,"InChI=1S/C7H12/c1-3-5-7-6-4-2/h1H,4-7H2,2H3",YVXHZKKCZYLQOP-UHFFFAOYSA-N,C7H12,96.17,96.09390038,3,0,63,0,0,0,3,7,,,0,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"3,3,3-(TRIFLUOROPROPYL)TRICHLOROSILANE",000592-09-6,68963,"trichloro(3,3,3-trifluoropropyl)silane",C(C[Si](Cl)(Cl)Cl)C(F)(F)F,"InChI=1S/C3H4Cl3F3Si/c4-10(5,6)2-1-3(7,8)9/h1-2H2",WEUBQNJHVBMUMD-UHFFFAOYSA-N,C3H4Cl3F3Si,231.5,229.909994,,0,107,0,0,3,1,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
TRIMETHYLMETHOXYSILANE,001825-61-2,15771,methoxy(trimethyl)silane,CO[Si](C)(C)C,"InChI=1S/C4H12OSi/c1-5-6(2,3)4/h1-4H3",POPACFLNWGUDSR-UHFFFAOYSA-N,C4H12OSi,104.22,104.0657415,,9.2,37,0,0,1,1,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
ISOPROPYL NITRATE,001712-64-7,15575,propan-2-yl nitrate,CC(C)O[N+](=O)[O-],"InChI=1S/C3H7NO3/c1-3(2)7-4(5)6/h3H,1-2H3",GAPFWGOSHOCNBM-UHFFFAOYSA-N,C3H7NO3,105.09,105.0425931,1.3,55.1,65,0,0,3,1,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
HEPTENE-3,000592-78-9,11612,hept-3-ene,CCCC=CCC,"InChI=1S/C7H14/c1-3-5-7-6-4-2/h5,7H,3-4,6H2,1-2H3",WZHKDGJSXCTSCK-UHFFFAOYSA-N,C7H14,98.19,98.10955045,3.1,0,44,0,0,0,3,7,,,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
METHYLDIETHOXYSILANE,002031-62-1,74848,diethoxy(methyl)silane,CCO[SiH](C)OCC,"InChI=1S/C5H14O2Si/c1-4-6-8(3)7-5-2/h8H,4-5H2,1-3H3",SOGIFFQYRAXTDR-UHFFFAOYSA-N,C5H14O2Si,134.25,134.0763062,,18.5,43,0,0,2,4,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
ETHYL ISOCYANATE,000109-90-0,8022,isocyanatoethane,CCN=C=O,"InChI=1S/C3H5NO/c1-2-4-3-5/h2H2,1H3",WUDNUHPRLBTKOJ-UHFFFAOYSA-N,C3H5NO,71.08,71.03711378,1.4,29.4,53,0,0,2,1,5,,60 °C,0,1,1,1,0,0,0,1,1,0,0,0,0,0,1,0,1,0,0,1
"N,N-DIMETHYLCARBAMATE TRIMETHYLSILYL",032115-55-2,4305703,"trimethylsilyl N,N-dimethylcarbamate",CN(C)C(=O)O[Si](C)(C)C,"InChI=1S/C6H15NO2Si/c1-7(2)6(8)9-10(3,4)5/h1-5H3",RDEKHAYBXPYQJQ-UHFFFAOYSA-N,C6H15NO2Si,161.27,161.0872053,,29.5,128,0,0,2,2,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
DICHLOROMETHYLSILANE,000075-54-7,6376,dichloro(methyl)silane,C[SiH](Cl)Cl,"InChI=1S/CH4Cl2Si/c1-4(2)3/h4H,1H3",NWKBSEBOBPHMKL-UHFFFAOYSA-N,CH4Cl2Si,115.03,113.9459321,,0,13,0,0,0,0,4,"-14 °F (USCG, 1999)","106.7 °F at 760 mmHg (USCG, 1999)",0,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
N-METHYDIPROPYLAMINE,003405-42-3,559387,N-methyl-N-propylpropan-1-amine,CCCN(C)CCC,"InChI=1S/C7H17N/c1-4-6-8(3)7-5-2/h4-7H2,1-3H3",UVBMZKBIZUWTLV-UHFFFAOYSA-N,C7H17N,115.22,115.1360995,2.1,3.2,37,0,0,1,4,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
METHACRYLOYL CHLORIDE,000920-46-7,13528,2-methylprop-2-enoyl chloride,CC(=C)C(=O)Cl,"InChI=1S/C4H5ClO/c1-3(2)4(5)6/h1H2,2H3",VHRYZQNGTZXDNX-UHFFFAOYSA-N,C4H5ClO,104.53,104.0028925,1.7,17.1,85,0,0,1,1,6,,"205 °F at 760 mmHg (EPA, 1998)",0,0,1,1,0,0,1,0,1,0,0,0,0,0,0,0,1,1,0,0
2-METHYLALLYLAMINE,002878-14-0,76141,2-methylprop-2-en-1-amine,CC(=C)CN,"InChI=1S/C4H9N/c1-4(2)3-5/h1,3,5H2,2H3",VXDHQYLFEYUMFY-UHFFFAOYSA-N,C4H9N,71.12,71.07349929,0.6,26,38,0,1,1,1,5,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
DIVINYLDIMETHYLSILANE,010519-87-6,66339,bis(ethenyl)-dimethylsilane,C[Si](C)(C=C)C=C,"InChI=1S/C6H12Si/c1-5-7(3,4)6-2/h5-6H,1-2H2,3-4H3",QRHCILLLMDEFSD-UHFFFAOYSA-N,C6H12Si,112.24,112.0708269,,0,72,0,0,0,2,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
METHYL TRIFLUOROACETATE,000431-47-0,9893,"methyl 2,2,2-trifluoroacetate",COC(=O)C(F)(F)F,"InChI=1S/C3H3F3O2/c1-8-2(7)3(4,5)6/h1H3",VMVNZNXAVJHNDJ-UHFFFAOYSA-N,C3H3F3O2,128.05,128.0085138,0.6,26.3,95,0,0,5,1,8,,,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,1,0,0
2-METHYLBUTYRALDEHYDE,000096-17-3,7284,2-methylbutanal,CCC(C)C=O,"InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3",BYGQBDHUGHBGMD-UHFFFAOYSA-N,C5H10O,86.13,86.07316494,1.1,17.1,41,0,0,1,2,6,,90.00 to 93.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,1,0,1
1-(ETHENYLOXY)BUTANE,000111-34-2,8108,1-ethenoxybutane,CCCCOC=C,"InChI=1S/C6H12O/c1-3-5-6-7-4-2/h4H,2-3,5-6H2,1H3",UZKWTJUDCOPSNM-UHFFFAOYSA-N,C6H12O,100.16,100.088815,2.1,9.2,41,0,0,1,4,7,"15 °F (NFPA, 2010)",94 °C,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,1,0,0
2-METHYLVALERALDEHYDE,000123-15-9,31245,2-methylpentanal,CCCC(C)C=O,"InChI=1S/C6H12O/c1-3-4-6(2)5-7/h5-6H,3-4H2,1-2H3",FTZILAQGHINQQR-UHFFFAOYSA-N,C6H12O,100.16,100.088815,1.7,17.1,50,0,0,1,3,7,"68 °F (NFPA, 2010)",117 °C,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
1-(ETHENYLOXY)PROPANE,000764-47-6,69815,1-ethenoxypropane,CCCOC=C,"InChI=1S/C5H10O/c1-3-5-6-4-2/h4H,2-3,5H2,1H3",OVGRCEFMXPHEBL-UHFFFAOYSA-N,C5H10O,86.13,86.07316494,1.7,9.2,32,0,0,1,3,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
PENTAMETHYLSILANAMINE,002083-91-2,74965,N-methyl-N-trimethylsilylmethanamine,CN(C)[Si](C)(C)C,"InChI=1S/C5H15NSi/c1-6(2)7(3,4)5/h1-5H3",KAHVZNKZQFSBFW-UHFFFAOYSA-N,C5H15NSi,117.26,117.097376,,3.2,53,0,0,1,1,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
BROMOETHANE-D5,003675-63-6,2733136,"1-bromo-1,1,2,2,2-pentadeuterioethane",[2H]C([2H])([2H])C([2H])([2H])Br,"InChI=1S/C2H5Br/c1-2-3/h2H2,1H3/i1D3,2D2",RDHPKYGYEGBMSE-ZBJDZAJPSA-N,C2H5Br,114,112.98885,1.4,0,2,0,0,0,0,3,,,0,0,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0
1-BROMOBUTANE-D9,098195-36-9,12236149,"1-bromo-1,1,2,2,3,3,4,4,4-nonadeuteriobutane",[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Br,"InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3/i1D3,2D2,3D2,4D2",MPPPKRYCTPRNTB-YNSOAAEFSA-N,C4H9Br,146.07,145.04525,2.8,0,13,0,0,0,2,5,,,0,0,0,0,0,1,1,0,1,0,0,0,0,1,0,0,1,0,1,1
CHLOROMETHYL-TRIMETHOXYSILANE,005926-26-1,22212,chloromethyl(trimethoxy)silane,CO[Si](CCl)(OC)OC,"InChI=1S/C4H11ClO3Si/c1-6-9(4-5,7-2)8-3/h4H2,1-3H3",FPOSCXQHGOVVPD-UHFFFAOYSA-N,C4H11ClO3Si,170.66,170.0165984,,27.7,67,0,0,3,4,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
4-METHYL-2-PENTYNE,021020-27-9,140789,4-methylpent-2-yne,CC#CC(C)C,"InChI=1S/C6H10/c1-4-5-6(2)3/h6H,1-3H3",SLMFWJQZLPEDDU-UHFFFAOYSA-N,C6H10,82.14,82.07825032,2.2,0,76,0,0,0,0,6,,,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
ACETONITRILE-1-13C,031432-55-0,10866249,acetonitrile,[13CH3]C#N,InChI=1S/C2H3N/c1-2-3/h1H3/i1+1,WEVYAHXRMPXWCK-OUBTZVSYSA-N,C2H3N,42.045,42.02990394,0,23.8,29,0,0,1,0,3,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
TETRAKIS(ETHYLMETHYLAMIDO)ZIRCONIUM(IV),175923-04-3,4446313,ethyl(methyl)azanide;zirconium(4+),CC[N-]C.CC[N-]C.CC[N-]C.CC[N-]C.[Zr+4],"InChI=1S/4C3H8N.Zr/c4*1-3-4-2;/h4*3H2,1-2H3;/q4*-1;+4",SRLSISLWUNZOOB-UHFFFAOYSA-N,C12H32N4Zr,323.63,322.167396,,4,50,0,0,4,4,17,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
TRANS-2-METHYL-2-BUTENAL,000497-03-0,5321950,(E)-2-methylbut-2-enal,C/C=C(\C)/C=O,"InChI=1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3+",ACWQBUSCFPJUPN-HWKANZROSA-N,C5H8O,84.12,84.05751487,0.9,17.1,72,0,0,1,1,6,,,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-PENTANAMINE, 4-METHYL-",000108-09-8,7908,4-methylpentan-2-amine,CC(C)CC(C)N,"InChI=1S/C6H15N/c1-5(2)4-6(3)7/h5-6H,4,7H2,1-3H3",UNBMPKNTYKDYCG-UHFFFAOYSA-N,C6H15N,101.19,101.1204495,1.4,26,41,0,1,1,2,7,"55 °F (NTP, 1992)","223 to 228 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"PROPANE, 2,2-DIETHOXY-",000126-84-1,31361,"2,2-diethoxypropane",CCOC(C)(C)OCC,"InChI=1S/C7H16O2/c1-5-8-7(3,4)9-6-2/h5-6H2,1-4H3",FGQLGYBGTRHODR-UHFFFAOYSA-N,C7H16O2,132.2,132.1150297,1.4,18.5,61,0,0,2,4,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1,1-ETHANEDIOL, 2,2,2-TRIFLUORO-",000421-53-4,67901,"2,2,2-trifluoroethane-1,1-diol",C(C(F)(F)F)(O)O,"InChI=1S/C2H3F3O2/c3-2(4,5)1(6)7/h1,6-7H",VGJWVEYTYIBXIA-UHFFFAOYSA-N,C2H3F3O2,116.04,116.0085138,0,40.5,56,0,2,5,0,7,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1-PROPANETHIOL, 2-METHYL-",000513-44-0,10558,2-methylpropane-1-thiol,CC(C)CS,"InChI=1S/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3",BDFAOUQQXJIZDG-UHFFFAOYSA-N,C4H10S,90.19,90.05032149,1.8,1,17,0,1,1,1,5,,88.50 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1-BUTENE, 3-CHLORO-",000563-52-0,11242,3-chlorobut-1-ene,CC(C=C)Cl,"InChI=1S/C4H7Cl/c1-3-4(2)5/h3-4H,1H2,2H3",VZGLVCFVUREVDP-UHFFFAOYSA-N,C4H7Cl,90.55,90.0236279,1.9,0,32,0,0,0,1,5,,,0,0,1,1,0,0,1,0,1,0,0,0,0,0,0,0,1,1,0,0
"PENTANE, 2,2-DIMETHYL-",000590-35-2,11542,"2,2-dimethylpentane",CCCC(C)(C)C,"InChI=1S/C7H16/c1-5-6-7(2,3)4/h5-6H2,1-4H3",CXOWYJMDMMMMJO-UHFFFAOYSA-N,C7H16,100.2,100.1252005,3.6,0,38,0,0,0,2,7,,,1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,1
"PROPANE, 1,1,2-TRICHLORO-",000598-77-6,11733,"1,1,2-trichloropropane",CC(C(Cl)Cl)Cl,"InChI=1S/C3H5Cl3/c1-2(4)3(5)6/h2-3H,1H3",GRSQYISVQKPZCW-UHFFFAOYSA-N,C3H5Cl3,147.43,145.945683,2.6,0,35,0,0,0,1,6,,,0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"2-PENTENE, 3,4,4-TRIMETHYL-",000598-96-9,11738,"3,4,4-trimethylpent-2-ene",CC=C(C)C(C)(C)C,"InChI=1S/C8H16/c1-6-7(2)8(3,4)5/h6H,1-5H3",FZQMZRXKWHQJAG-UHFFFAOYSA-N,C8H16,112.21,112.1252005,3.6,0,91,0,0,0,1,8,Flash point < 21 °C,112 °C,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"PROPANOIC ACID, 2,2-DIMETHYL-, METHYL ESTER",000598-98-1,69027,"methyl 2,2-dimethylpropanoate",CC(C)(C)C(=O)OC,"InChI=1S/C6H12O2/c1-6(2,3)5(7)8-4/h1-4H3",CNMFHDIDIMZHKY-UHFFFAOYSA-N,C6H12O2,116.16,116.0837296,1.8,26.3,89,0,0,2,2,8,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
2-PROPYNAL,000624-67-9,12222,prop-2-ynal,C#CC=O,"InChI=1S/C3H2O/c1-2-3-4/h1,3H",IJNJLGFTSIAHEA-UHFFFAOYSA-N,C3H2O,54.05,54.01056468,0.2,17.1,54,0,0,1,0,4,,,0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,1,0,1
"BUTANE, 1-ETHOXY-",000628-81-9,12355,1-ethoxybutane,CCCCOCC,"InChI=1S/C6H14O/c1-3-5-6-7-4-2/h3-6H2,1-2H3",PZHIWRCQKBBTOW-UHFFFAOYSA-N,C6H14O,102.17,102.1044651,2,9.2,27,0,0,1,4,7,"40 °F (NFPA, 2010)",,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"DISILANE, 1,1,2,2-TETRAMETHYL-",000814-98-2,6327685,dimethylsilylidene(dimethyl)silane,C[Si](=[Si](C)C)C,InChI=1S/C4H12Si2/c1-5(2)6(3)4/h1-4H3,UTUAUBOPWUPBCH-UHFFFAOYSA-N,C4H12Si2,116.31,116.0477535,,0,55,0,0,0,0,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
SEC-BUTYL NITRITE,000924-43-6,13544,butan-2-yl nitrite,CCC(C)ON=O,"InChI=1S/C4H9NO2/c1-3-4(2)7-5-6/h4H,3H2,1-2H3",NFGNZNFBQAGBJA-UHFFFAOYSA-N,C4H9NO2,103.12,103.0633285,1.4,38.7,55,0,0,3,2,7,,,0,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"PROPANE, 2-(ETHENYLOXY)-",000926-65-8,13557,2-ethenoxypropane,CC(C)OC=C,"InChI=1S/C5H10O/c1-4-6-5(2)3/h4-5H,1H2,2-3H3",GNUGVECARVKIPH-UHFFFAOYSA-N,C5H10O,86.13,86.07316494,1.6,9.2,39,0,0,1,2,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"SILANE, CHLORODIMETHOXYMETHYL-",000994-07-0,70437,chloro-dimethoxy-methylsilane,CO[Si](C)(OC)Cl,"InChI=1S/C3H9ClO2Si/c1-5-7(3,4)6-2/h1-3H3",GYQKYMDXABOCBE-UHFFFAOYSA-N,C3H9ClO2Si,140.64,140.0060338,,18.5,54,0,0,2,2,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"SILANE, ISOCYANATOTRIMETHYL-",001118-02-1,70696,isocyanato(trimethyl)silane,C[Si](C)(C)N=C=O,"InChI=1S/C4H9NOSi/c1-7(2,3)5-4-6/h1-3H3",NIZHERJWXFHGGU-UHFFFAOYSA-N,C4H9NOSi,115.21,115.0453404,,29.4,98,0,0,2,1,7,,,0,0,1,0,0,0,0,1,1,0,0,0,0,0,1,0,1,0,0,1
"1,3-PENTADIENE, 2-METHYL-",001118-58-7,14238,"2-methylpenta-1,3-diene",CC=CC(=C)C,"InChI=1S/C6H10/c1-4-5-6(2)3/h4-5H,2H2,1,3H3",RCJMVGJKROQDCB-UHFFFAOYSA-N,C6H10,82.14,82.07825032,2.7,0,68,0,0,0,1,6,,,0,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"SILANE, CHLORO(CHLOROMETHYL)DIMETHYL-",001719-57-9,74393,chloro-(chloromethyl)-dimethylsilane,C[Si](C)(CCl)Cl,"InChI=1S/C3H8Cl2Si/c1-6(2,5)3-4/h3H2,1-2H3",ITKVLPYNJQOCPW-UHFFFAOYSA-N,C3H8Cl2Si,143.08,141.9772322,,0,44,0,0,0,1,6,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"ALUMINUM, CHLOROBIS(2-METHYLPROPYL)-",001779-25-5,15688,chloro-bis(2-methylpropyl)alumane,CC(C)C[Al](CC(C)C)Cl,"InChI=1S/2C4H9.Al.ClH/c2*1-4(2)3;;/h2*4H,1H2,2-3H3;;1H/q;;+1;/p-1",HQMRIBYCTLBDAK-UHFFFAOYSA-M,C8H18AlCl,176.66,176.0912417,,0,71,0,0,0,4,10,,108 °C @ 0.13 kPa,0,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"SILANE, DICHLOROETHYL-",001789-58-8,15706,dichloro(ethyl)silane,CC[SiH](Cl)Cl,"InChI=1S/C2H6Cl2Si/c1-2-5(3)4/h5H,2H2,1H3",RKHXNBJRDQOIOQ-UHFFFAOYSA-N,C2H6Cl2Si,129.06,127.9615821,,0,21,0,0,0,1,5,"30 °F (USCG, 1999)","165 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,1,0,0,1
"SILANE, ETHOXYTRIMETHYL-",001825-62-3,15772,ethoxy(trimethyl)silane,CCO[Si](C)(C)C,"InChI=1S/C5H14OSi/c1-5-6-7(2,3)4/h5H2,1-4H3",RSIHJDGMBDPTIM-UHFFFAOYSA-N,C5H14OSi,118.25,118.0813916,,9.2,46,0,0,1,2,7,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"METHANOL, (TRIMETHYLSILYL)-, ACETATE",002917-65-9,76214,trimethylsilylmethyl acetate,CC(=O)OC[Si](C)(C)C,"InChI=1S/C6H14O2Si/c1-6(7)8-5-9(2,3)4/h5H2,1-4H3",TXZMVBJSLYBOMN-UHFFFAOYSA-N,C6H14O2Si,146.26,146.0763062,,26.3,104,0,0,2,3,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"1,1-DIETHOXYBUTANE",003658-95-5,77225,"1,1-diethoxybutane",CCCC(OCC)OCC,"InChI=1S/C8H18O2/c1-4-7-8(9-5-2)10-6-3/h8H,4-7H2,1-3H3",UVHXZFGCCJLFMX-UHFFFAOYSA-N,C8H18O2,146.23,146.1306798,2.1,18.5,58,0,0,2,6,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,1,0,0
"2-BUTANAMINE, 3,3-DIMETHYL-",003850-30-4,520907,"3,3-dimethylbutan-2-amine",CC(C(C)(C)C)N,"InChI=1S/C6H15N/c1-5(7)6(2,3)4/h5H,7H2,1-4H3",DXSUORGKJZADET-UHFFFAOYSA-N,C6H15N,101.19,101.1204495,1.4,26,51,0,1,1,1,7,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"3-PENTANAMINE, 2,4-DIMETHYL-",004083-57-2,77702,"2,4-dimethylpentan-3-amine",CC(C)C(C(C)C)N,"InChI=1S/C7H17N/c1-5(2)7(8)6(3)4/h5-7H,8H2,1-4H3",FATQVQVMXNESGD-UHFFFAOYSA-N,C7H17N,115.22,115.1360995,2,26,49,0,1,1,2,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
2-HEXANAMINE,005329-79-3,21405,hexan-2-amine,CCCCC(C)N,"InChI=1S/C6H15N/c1-3-4-5-6(2)7/h6H,3-5,7H2,1-2H3",WGBBUURBHXLGFM-UHFFFAOYSA-N,C6H15N,101.19,101.1204495,1.5,26,35,0,1,1,3,7,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
"SILANE, ETHENYLDIETHOXYMETHYL-",005507-44-8,79646,ethenyl-diethoxy-methylsilane,CCO[Si](C)(C=C)OCC,"InChI=1S/C7H16O2Si/c1-5-8-10(4,7-3)9-6-2/h7H,3,5-6H2,1-2,4H3",MBGQQKKTDDNCSG-UHFFFAOYSA-N,C7H16O2Si,160.29,160.0919563,,18.5,97,0,0,2,5,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,1,0,1,0,0,1
"SILANE, TRIMETHYL(2-PROPYNYLOXY)-",005582-62-7,79696,trimethyl(prop-2-ynoxy)silane,C[Si](C)(C)OCC#C,"InChI=1S/C6H12OSi/c1-5-6-7-8(2,3)4/h1H,6H2,2-4H3",ZZRPJWCNCLSOLR-UHFFFAOYSA-N,C6H12OSi,128.24,128.0657415,,9.2,103,0,0,1,2,8,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"ALUMINUM, (N,N-DIETHYLETHANAMINE)TRIHYDRO-, (T-4)-",012076-08-3,14122249,"alumane;N,N-diethylethanamine",CCN(CC)CC.[AlH3],"InChI=1S/C6H15N.Al.3H/c1-4-7(5-2)6-3;;;;/h4-6H2,1-3H3;;;;",GVXQKKNXXVBVNI-UHFFFAOYSA-N,C6H18AlN,131.2,131.125463,,3.2,25,0,0,1,3,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"SILANE, (CHLOROMETHYL)ETHENYLDIMETHYL-",016709-86-7,85556,chloromethyl-ethenyl-dimethylsilane,C[Si](C)(CCl)C=C,"InChI=1S/C5H11ClSi/c1-4-7(2,3)5-6/h4H,1,5H2,2-3H3",SZZZMXFBEKWPBU-UHFFFAOYSA-N,C5H11ClSi,134.68,134.0318546,,0,68,0,0,0,2,7,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"SILANE, ETHENYLDIMETHOXYMETHYL-",016753-62-1,85589,ethenyl-dimethoxy-methylsilane,CO[Si](C)(C=C)OC,"InChI=1S/C5H12O2Si/c1-5-8(4,6-2)7-3/h5H,1H2,2-4H3",ZLNAFSPCNATQPQ-UHFFFAOYSA-N,C5H12O2Si,132.23,132.0606562,,18.5,78,0,0,2,3,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-PROPANAMINE, 1-METHOXY-",037143-54-7,123458,1-methoxypropan-2-amine,CC(COC)N,"InChI=1S/C4H11NO/c1-4(5)3-6-2/h4H,3,5H2,1-2H3",NXMXETCTWNXSFG-UHFFFAOYSA-N,C4H11NO,89.14,89.08406397,-0.4,35.3,30,0,1,2,2,6,,,0,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0
METHYL METH-D3-ACRYLATE,035777-12-9,12203790,trideuteriomethyl 2-methylprop-2-enoate,[2H]C([2H])([2H])OC(=O)C(=C)C,"InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3/i3D3",VVQNEPGJFQJSBK-HPRDVNIFSA-N,C5H8O2,103.13,103.0712597,1.4,26.3,94,0,0,2,2,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,1,0,1
N-ISOPROPYL-N-METHYL-TERT-BUTYLAMINE,085523-00-8,4406926,"N,2-dimethyl-N-propan-2-ylpropan-2-amine",CC(C)N(C)C(C)(C)C,"InChI=1S/C8H19N/c1-7(2)9(6)8(3,4)5/h7H,1-6H3",WYLLBTPEHIVUKV-UHFFFAOYSA-N,C8H19N,129.24,129.1517496,2,3.2,79,0,0,1,2,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
4-METHYLHEPTANE,000589-53-7,11512,4-methylheptane,CCCC(C)CCC,"InChI=1S/C8H18/c1-4-6-8(3)7-5-2/h8H,4-7H2,1-3H3",CHBAWFGIXDBEBT-UHFFFAOYSA-N,C8H18,114.23,114.1408506,4.3,0,33,0,0,0,4,8,,,1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,1
DIETHYLAMINE-d11,,57901263,"N,1,1,2,2,2-hexadeuterio-N-(1,1,2,2,2-pentadeuterioethyl)ethanamine",[2H]C([2H])([2H])C([2H])([2H])N([2H])C([2H])([2H])C([2H])([2H])[2H],"InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3/i1D3,2D3,3D2,4D2/hD",HPNMFZURTQLUMO-REUZILGJSA-N,C4H11N,84.2,84.15819356,0.6,12,11,0,1,1,2,5,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,1,0,1,1,0,0
ISOOCTANE,000540-84-1,10907,"2,2,4-trimethylpentane",CC(C)CC(C)(C)C,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",NHTMVDHEPJAVLT-UHFFFAOYSA-N,C8H18,114.23,114.1408506,3.8,0,54,0,0,0,2,8,"10 °F (NFPA, 2010)",99.238 °C,1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,1
METHYL VINYL KETONE,000078-94-4,6570,but-3-en-2-one,CC(=O)C=C,"InChI=1S/C4H6O/c1-3-4(2)5/h3H,1H2,2H3",FUSUHKVFWTUUBE-UHFFFAOYSA-N,C4H6O,70.09,70.04186481,0.5,17.1,54,0,0,1,1,5,"20 °F (EPA, 1998)","179 °F at 760 mmHg (EPA, 1998)",1,1,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,1,0,0
"BUTANE, 1-BROMO-2-METHYL-, (.+-.)-",005973-11-5,25254,1-bromo-2-methylbutane,CCC(C)CBr,"InChI=1S/C5H11Br/c1-3-5(2)4-6/h5H,3-4H2,1-2H3",XKVLZBNEPALHIO-UHFFFAOYSA-N,C5H11Br,151.04,150.00441,2.7,0,27,0,0,0,2,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
HEXAMETHYLETHANE,000594-82-1,11675,"2,2,3,3-tetramethylbutane",CC(C)(C)C(C)(C)C,"InChI=1S/C8H18/c1-7(2,3)8(4,5)6/h1-6H3",OMMLUKLXGSRPHK-UHFFFAOYSA-N,C8H18,114.23,114.1408506,3.7,0,55,0,0,0,1,8,,,1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,1
(3-METHYLPENTYL)AMINE,042245-37-4,3055957,3-methylpentan-1-amine,CCC(C)CCN,"InChI=1S/C6H15N/c1-3-6(2)4-5-7/h6H,3-5,7H2,1-2H3",JLAUIBFZZUVOBB-UHFFFAOYSA-N,C6H15N,101.19,101.1204495,1.5,26,35,0,1,1,3,7,,,0,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
METHYL ACRYLATE,000096-33-3,7294,methyl prop-2-enoate,COC(=O)C=C,"InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3",BAPJBEWLBFYGME-UHFFFAOYSA-N,C4H6O2,86.09,86.03677943,0.8,26.3,65,0,0,2,2,6,"44 °F (NTP, 1992)","176.9 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,1,0,1
BUTANETHIOL,000109-79-5,8012,butane-1-thiol,CCCCS,"InChI=1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3",WQAQPCDUOCURKW-UHFFFAOYSA-N,C4H10S,90.19,90.05032149,2.3,1,13,0,1,1,2,5,"55 °F (USCG, 1999)","229.3 °F at 760 mmHg (USCG, 1999)",0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"1,1-DIMETHYLHYDRAZINE",000057-14-7,5976,"1,1-dimethylhydrazine",CN(C)N,"InChI=1S/C2H8N2/c1-4(2)3/h3H2,1-2H3",RHUYHJGZWVXEHW-UHFFFAOYSA-N,C2H8N2,60.1,60.06874826,-0.5,29.3,11,0,1,2,0,4,"5 °F (EPA, 1998)","147 °F at 760 mmHg (EPA, 1998)",0,0,1,1,0,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0
N-BUTYL BROMIDE,000109-65-9,8002,1-bromobutane,CCCCBr,"InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3",MPPPKRYCTPRNTB-UHFFFAOYSA-N,C4H9Br,137.02,135.98876,2.8,0,13,0,0,0,2,5,"65 °F (USCG, 1999)","214 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,1,1,1,1,0,0,0,0,1,0,0,1,0,1,1
TERT-BUTYL ALCOHOL,000075-65-0,6386,2-methylpropan-2-ol,CC(C)(C)O,"InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3",DKGAVHZHDRPRBM-UHFFFAOYSA-N,C4H10O,74.12,74.07316494,0.5,20.2,25,0,1,1,0,5,"52 °F (NTP, 1992)","180 °F at 760 mmHg (NTP, 1992)",0,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
ACETIC ACID,000064-19-7,176,acetic acid,CC(=O)O,"InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)",QTBSBXVTEAMEQO-UHFFFAOYSA-N,C2H4O2,60.05,60.02112937,-0.2,37.3,31,0,1,2,0,4,"104 °F (NTP, 1992)","244 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
DI-N-AMYLAMINE,002050-92-2,16316,N-pentylpentan-1-amine,CCCCCNCCCCC,"InChI=1S/C10H23N/c1-3-5-7-9-11-10-8-6-4-2/h11H,3-10H2,1-2H3",JACMPVXHEARCBO-UHFFFAOYSA-N,C10H23N,157.3,157.1830497,3.4,12,53,0,1,1,8,11,"124 °F (NTP, 1992)","396 to 397 °F at 760 mmHg (NTP, 1992)",1,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
ISOBUTYL ALCOHOL,000078-83-1,6560,2-methylpropan-1-ol,CC(C)CO,"InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3",ZXEKIIBDNHEJCQ-UHFFFAOYSA-N,C4H10O,74.12,74.07316494,0.8,20.2,17,0,1,1,1,5,"82 °F (NTP, 1992)","225 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
ACRYLIC ACID  (Inhibited),000079-10-7,6581,prop-2-enoic acid,C=CC(=O)O,"InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)",NIXOWILDQLNWCW-UHFFFAOYSA-N,C3H4O2,72.06,72.02112937,0.3,37.3,55,0,1,2,1,5,"130 °F (NTP, 1992)","286 °F at 760 mmHg (NTP, 1992)",1,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
PROPARGYL ALCOHOL,000107-19-7,7859,prop-2-yn-1-ol,C#CCO,"InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2",TVDSBUOJIPERQY-UHFFFAOYSA-N,C3H4O,56.06,56.02621475,-0.4,20.2,38,0,1,1,0,4,"91 °F (NTP, 1992)","236.5 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0
"1,5-DICHLOROPENTANE",000628-76-2,12353,"1,5-dichloropentane",C(CCCl)CCCl,InChI=1S/C5H10Cl2/c6-4-2-1-3-5-7/h1-5H2,LBKDGROORAKTLC-UHFFFAOYSA-N,C5H10Cl2,141.04,140.0159557,2.5,0,25,0,0,0,4,7,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"N,N-DIETHYL-1,3-PROPANEDIAMINE",000104-78-9,61011,"N',N'-diethylpropane-1,3-diamine",CCN(CC)CCCN,"InChI=1S/C7H18N2/c1-3-9(4-2)7-5-6-8/h3-8H2,1-2H3",QOHMWDJIBGVPIF-UHFFFAOYSA-N,C7H18N2,130.23,130.1469986,0.4,29.3,50,0,1,2,5,9,"138 °F (NFPA, 2010)",,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,1,0,0
"2,4-DIMETHYL-3-PENTANOL",000600-36-2,11752,"2,4-dimethylpentan-3-ol",CC(C)C(C(C)C)O,"InChI=1S/C7H16O/c1-5(2)7(8)6(3)4/h5-8H,1-4H3",BAYAKMPRFGNNFW-UHFFFAOYSA-N,C7H16O,116.2,116.1201151,2.3,20.2,49,0,1,1,2,8,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
(S)-(-)-ETHYL LACTATE,000687-47-8,92831,ethyl (2S)-2-hydroxypropanoate,CCOC(=O)[C@H](C)O,"InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3/t4-/m0/s1",LZCLXQDLBQLTDK-BYPYZUCNSA-N,C5H10O3,118.13,118.0629942,0.2,46.5,79,0,1,3,3,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
AMBERLYST 15,009037-24-5,80972,1-bromo-2-methoxyethane,COCCBr,"InChI=1S/C3H7BrO/c1-5-3-2-4/h2-3H2,1H3",YZUPZGFPHUVJKC-UHFFFAOYSA-N,C3H7BrO,138.99,137.96803,0.8,9.2,16,0,0,1,2,5,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,2-ETHANEDITHIOL",000540-63-6,10902,"ethane-1,2-dithiol",C(CS)S,"InChI=1S/C2H6S2/c3-1-2-4/h3-4H,1-2H2",VYMPLPIFKRHAAC-UHFFFAOYSA-N,C2H6S2,94.2,93.99109254,0.8,2,6,0,2,2,1,4,,146 °C at 760 mm Hg,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
TRIMETHYLSILYL TRIFLUOROMETHANESULFONATE,027607-77-8,65367,trimethylsilyl trifluoromethanesulfonate,C[Si](C)(C)OS(=O)(=O)C(F)(F)F,"InChI=1S/C4H9F3O3SSi/c1-12(2,3)10-11(8,9)4(5,6)7/h1-3H3",FTVLMFQEYACZNP-UHFFFAOYSA-N,C4H9F3O3SSi,222.26,221.9993763,,51.8,244,0,0,6,2,12,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"CIS-1,3-DICHLOROPROPENE",010061-01-5,5280970,"(Z)-1,3-dichloroprop-1-ene",C(/C=C\Cl)Cl,"InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1-",UOORRWUZONOOLO-UPHRSURJSA-N,C3H4Cl2,110.97,109.9690055,1.7,0,31,0,0,0,1,5,,"219.7 °F at 760 mmHg (NTP, 1992)",1,1,1,1,1,0,1,1,1,0,0,0,0,0,0,0,1,1,0,1
1-METHYLHEPTYLAMINE,000693-16-3,12735,octan-2-amine,CCCCCCC(C)N,"InChI=1S/C8H19N/c1-3-4-5-6-7-8(2)9/h8H,3-7,9H2,1-2H3",HBXNJMZWGSCKPW-UHFFFAOYSA-N,C8H19N,129.24,129.1517496,2.6,26,52,0,1,1,5,9,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
TRANS-CROTONYL CHLORIDE,000625-35-4,643131,(E)-but-2-enoyl chloride,C/C=C/C(=O)Cl,"InChI=1S/C4H5ClO/c1-2-3-4(5)6/h2-3H,1H3/b3-2+",RJUIDDKTATZJFE-NSCUHMNNSA-N,C4H5ClO,104.53,104.0028925,1.6,17.1,75,0,0,1,1,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
3-BUTENENITRILE,000109-75-1,8009,but-3-enenitrile,C=CCC#N,"InChI=1S/C4H5N/c1-2-3-4-5/h2H,1,3H2",SJNALLRHIVGIBI-UHFFFAOYSA-N,C4H5N,67.09,67.04219916,0.4,23.8,65,0,0,1,1,5,,,0,1,1,1,0,0,0,1,1,0,0,0,0,1,0,0,1,0,1,0
ACETIC-2-13C ACID,001563-80-0,12220504,acetic acid,[13CH3]C(=O)O,"InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1+1",QTBSBXVTEAMEQO-OUBTZVSYSA-N,C2H4O2,61.045,61.0244842,-0.2,37.3,31,0,1,2,0,4,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
1-DECENE,000872-05-9,13381,dec-1-ene,CCCCCCCCC=C,"InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3",AFFLGGQVNFXPEV-UHFFFAOYSA-N,C10H20,140.27,140.1565006,5.7,0,64,0,0,0,7,10,"128 °F (USCG, 1999)","339.1 °F at 760 mmHg (USCG, 1999)",1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
NONENE-4,002198-23-4,94226,non-4-ene,CCCCC=CCCC,"InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h7,9H,3-6,8H2,1-2H3",KPADFPAILITQBG-UHFFFAOYSA-N,C9H18,126.24,126.1408506,4.2,0,62,0,0,0,5,9,,,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
(+/-)-2-ETHYLHEXYLAMINE,000104-75-6,7719,2-ethylhexan-1-amine,CCCCC(CC)CN,"InChI=1S/C8H19N/c1-3-5-6-8(4-2)7-9/h8H,3-7,9H2,1-2H3",LTHNHFOGQMKPOV-UHFFFAOYSA-N,C8H19N,129.24,129.1517496,2.8,26,52,0,1,1,5,9,"140 °F (NTP, 1992)","336.6 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
"2,2,3,3-TETRAFLUORO-1-PROPANOL",000076-37-9,6441,"2,2,3,3-tetrafluoropropan-1-ol",C(C(C(F)F)(F)F)O,"InChI=1S/C3H4F4O/c4-2(5)3(6,7)1-8/h2,8H,1H2",NBUKAOOFKZFCGD-UHFFFAOYSA-N,C3H4F4O,132.06,132.0198274,1.1,20.2,71,0,1,5,2,8,,,0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
3-CYANOPROPYLDIMETHYLCHLOROSILANE,018156-15-5,87478,4-[chloro(dimethyl)silyl]butanenitrile,C[Si](C)(CCCC#N)Cl,"InChI=1S/C6H12ClNSi/c1-9(2,7)6-4-3-5-8/h3-4,6H2,1-2H3",GPIARXZSVWTOMD-UHFFFAOYSA-N,C6H12ClNSi,161.7,161.0427536,,23.8,124,0,0,1,3,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
DIMETHYL DISELENIDE,007101-31-7,23496,(methyldiselanyl)methane,C[Se][Se]C,InChI=1S/C2H6Se2/c1-3-4-2/h1-2H3,VLXBWPOEOIIREY-UHFFFAOYSA-N,C2H6Se2,188.01,189.87999,,0,6,0,0,0,1,4,,,1,0,1,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,1,0
BIS(TRIMETHYLSILYL) SELENIDE,004099-46-1,553451,trimethyl(trimethylsilylselanyl)silane,C[Si](C)(C)[Se][Si](C)(C)C,"InChI=1S/C6H18SeSi2/c1-8(2,3)7-9(4,5)6/h1-6H3",FKIZDWBGWFWWOV-UHFFFAOYSA-N,C6H18SeSi2,225.35,226.01123,,0,76,0,0,0,2,9,,,1,0,1,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,1,0
"2,2-DIETHOXYETHANAMINE",000645-36-3,69524,"2,2-diethoxyethanamine",CCOC(CN)OCC,"InChI=1S/C6H15NO2/c1-3-8-6(5-7)9-4-2/h6H,3-5,7H2,1-2H3",HJKLEAOXCZIMPI-UHFFFAOYSA-N,C6H15NO2,133.19,133.1102787,-0.1,44.5,53,0,1,3,5,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,3-DICHLORO-2-BUTENE",000926-57-8,13556,"1,3-dichlorobut-2-ene",CC(=CCCl)Cl,"InChI=1S/C4H6Cl2/c1-4(6)2-3-5/h2H,3H2,1H3",WLIADPFXSACYLS-UHFFFAOYSA-N,C4H6Cl2,124.99,123.9846556,2.1,0,56,0,0,0,1,6,27 °C,131 °C,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"DISULFIDE, DI-2-PROPENYL",002179-57-9,16590,3-(prop-2-enyldisulfanyl)prop-1-ene,C=CCSSCC=C,"InChI=1S/C6H10S2/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-6H2",PFRGXCVKLLPLIP-UHFFFAOYSA-N,C6H10S2,146.3,146.0223927,2.2,50.6,58,0,0,2,5,8,,79 °C @ 16 MM HG,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,1,0,0
TRICHLORO(2-METHYLPROPYL)SILANE,018169-57-8,87489,trichloro(2-methylpropyl)silane,CC(C)C[Si](Cl)(Cl)Cl,"InChI=1S/C4H9Cl3Si/c1-4(2)3-8(5,6)7/h4H,3H2,1-2H3",GBXOGFTVYQSOID-UHFFFAOYSA-N,C4H9Cl3Si,191.55,189.95391,,0,66,0,0,0,1,8,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
Acetic (2H)acid,000758-12-3,2723902,deuterio acetate,[2H]OC(=O)C,"InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i/hD",QTBSBXVTEAMEQO-DYCDLGHISA-N,C2H4O2,61.06,61.02740611,-0.2,37.3,31,0,1,2,0,4,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
TRIETHYL ARSENITE,003141-12-6,76591,triethyl arsorite,CCO[As](OCC)OCC,"InChI=1S/C6H15AsO3/c1-4-8-7(9-5-2)10-6-3/h4-6H2,1-3H3",BUZKVHDUZDJKHI-UHFFFAOYSA-N,C6H15AsO3,210.1,210.023714,,27.7,55,0,0,3,6,10,,,1,0,1,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
"2,2,2-TRIFLUOROETHANOL-D2",132248-58-9,12255976,"1,1-dideuterio-2,2,2-trifluoroethanol",[2H]C([2H])(C(F)(F)F)O,"InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2/i1D2",RHQDFWAXVIIEBN-DICFDUPASA-N,C2H3F3O,102.05,102.0261527,0.4,20.2,38,0,1,4,0,6,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,1,0
3-(TRIMETHYLSILYL)PROPIOLOYL CHLORIDE,066224-70-2,11309677,3-trimethylsilylprop-2-ynoyl chloride,C[Si](C)(C)C#CC(=O)Cl,"InChI=1S/C6H9ClOSi/c1-9(2,3)5-4-6(7)8/h1-3H3",CIQYUDZNFLTUTN-UHFFFAOYSA-N,C6H9ClOSi,160.67,160.0111191,,17.1,178,0,0,1,1,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
3-AZIDO-1-PROPANAMINE,088192-19-2,150110,3-azidopropan-1-amine,C(CN)CN=[N+]=[N-],InChI=1S/C3H8N4/c4-2-1-3-6-7-5/h1-4H2,OYBOVXXFJYJYPC-UHFFFAOYSA-N,C3H8N4,100.12,100.0748963,0.5,40.4,73,0,1,3,3,7,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
HYDRAZINE-15N2 MONOHYDRATE,145571-73-9,16213581,,[15NH2][15NH2].O,"InChI=1S/H4N2.H2O/c1-2;/h1-2H2;1H2/i1+1,2+1;",IKDUDTNKRLTJSI-AWQJXPNKSA-N,H6N2O,52.047,52.04208261,,53,0,0,3,3,0,3,,,1,1,1,1,0,1,1,0,1,0,0,0,0,0,0,0,1,1,0,0
"N,N,N’-TRIMETHYL-1,3-PROPANEDIAMINE",004543-96-8,78302,"N,N',N'-trimethylpropane-1,3-diamine",CNCCCN(C)C,"InChI=1S/C6H16N2/c1-7-5-4-6-8(2)3/h7H,4-6H2,1-3H3",SORARJZLMNRBAQ-UHFFFAOYSA-N,C6H16N2,116.2,116.1313485,0.2,15.3,43,0,1,2,4,8,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
1-HEXYN-3-OL,000105-31-7,7746,hex-1-yn-3-ol,CCCC(C#C)O,"InChI=1S/C6H10O/c1-3-5-6(7)4-2/h2,6-7H,3,5H2,1H3",LTFTWJYRQNTCHI-UHFFFAOYSA-N,C6H10O,98.14,98.07316494,0.9,20.2,77,0,1,1,2,7,,,0,1,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"METHANESULFONIC ACID, TRIFLUORO-, ETHYL ESTER",000425-75-2,67924,ethyl trifluoromethanesulfonate,CCOS(=O)(=O)C(F)(F)F,"InChI=1S/C3H5F3O3S/c1-2-9-10(7,8)3(4,5)6/h2H2,1H3",UVECLJDRPFNRRQ-UHFFFAOYSA-N,C3H5F3O3S,178.13,177.9911497,1.2,51.8,186,0,0,6,2,10,,,0,0,0,1,0,0,0,1,1,0,1,0,0,0,0,0,1,0,0,0
"2-PROPANONE, (1-METHYLETHYLIDENE)HYDRAZONE",000627-70-3,79085,N-(propan-2-ylideneamino)propan-2-imine,CC(=NN=C(C)C)C,InChI=1S/C6H12N2/c1-5(2)7-8-6(3)4/h1-4H3,PFLUPZGCTVGDLV-UHFFFAOYSA-N,C6H12N2,112.17,112.1000484,0.4,24.7,98,0,0,2,1,8,,,0,1,1,1,0,1,0,1,1,0,0,0,0,0,0,0,1,1,0,1
"PROPANOIC ACID, 2-HYDROXY-2-METHYL-, METHYL ESTER",002110-78-3,75024,methyl 2-hydroxy-2-methylpropanoate,CC(C)(C(=O)OC)O,"InChI=1S/C5H10O3/c1-5(2,7)4(6)8-3/h7H,1-3H3",XYVQFUJDGOBPQI-UHFFFAOYSA-N,C5H10O3,118.13,118.0629942,0.1,46.5,95,0,1,3,2,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"SILANE, DICHLORODIPROPYL-",002295-24-1,75301,dichloro(dipropyl)silane,CCC[Si](CCC)(Cl)Cl,"InChI=1S/C6H14Cl2Si/c1-3-5-9(7,8)6-4-2/h3-6H2,1-2H3",UOZZKLIPYZQXEP-UHFFFAOYSA-N,C6H14Cl2Si,185.16,184.0241824,,0,65,0,0,0,4,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"DISILOXANE, 1,3-BIS(BROMOMETHYL)-1,1,3,3-TETRAMETHYL-",002351-13-5,75372,bromomethyl-[bromomethyl(dimethyl)silyl]oxy-dimethylsilane,C[Si](C)(CBr)O[Si](C)(C)CBr,"InChI=1S/C6H16Br2OSi2/c1-10(2,5-7)9-11(3,4)6-8/h5-6H2,1-4H3",UPKHMNVQWIFQBW-UHFFFAOYSA-N,C6H16Br2OSi2,320.17,319.90859,,9.2,114,0,0,1,4,11,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"5-HEXEN-2-ONE, 5-METHYL-",003240-09-3,228604,5-methylhex-5-en-2-one,CC(=C)CCC(=O)C,"InChI=1S/C7H12O/c1-6(2)4-5-7(3)8/h1,4-5H2,2-3H3",VBCIOOKAKHGVMI-UHFFFAOYSA-N,C7H12O,112.17,112.088815,1.6,17.1,103,0,0,1,3,8,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
DIBROMOACETONITRILE,003252-43-5,18617,"2,2-dibromoacetonitrile",C(#N)C(Br)Br,InChI=1S/C2HBr2N/c3-2(4)1-5/h2H,NDSBDLSWTGLNQA-UHFFFAOYSA-N,C2HBr2N,198.84,198.84552,1.7,23.8,59,0,0,1,0,5,"greater than 200 °F (NTP, 1992)","153 to 156 °F at 24 mmHg (NTP, 1992)",1,0,0,1,0,1,1,1,1,0,0,0,0,0,0,0,0,0,1,0
"1,3,6-OCTATRIENE, 3,7-DIMETHYL-, (Z)-",003338-55-4,5320250,"(3Z)-3,7-dimethylocta-1,3,6-triene",CC(=CC/C=C(/C)\C=C)C,"InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8-",IHPKGUQCSIINRJ-NTMALXAHSA-N,C10H16,136.23,136.1252005,4.3,0,155,0,0,0,3,10,,177.00 °C. @ 760.00 mm Hg,1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0
"2-PROPENOIC ACID, 2-METHYL-, 1-METHYLETHYL ESTER",004655-34-9,20769,propan-2-yl 2-methylprop-2-enoate,CC(C)OC(=O)C(=C)C,"InChI=1S/C7H12O2/c1-5(2)7(8)9-6(3)4/h6H,1H2,2-4H3",BOQSSGDQNWEFSX-UHFFFAOYSA-N,C7H12O2,128.17,128.0837296,2.2,26.3,125,0,0,2,3,9,"70 °F (NTP, 1992)","257 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,1,0,1
"3-HEXEN-2-ONE, 5-METHYL-",005166-53-0,5363140,(E)-5-methylhex-3-en-2-one,CC(C)/C=C/C(=O)C,"InChI=1S/C7H12O/c1-6(2)4-5-7(3)8/h4-6H,1-3H3/b5-4+",IYMKNYVCXUEFJE-SNAWJCMRSA-N,C7H12O,112.17,112.088815,1.5,17.1,101,0,0,1,2,8,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"1,3-PROPANEDIAMINE, N-ETHYL-",010563-23-2,82727,"N'-ethylpropane-1,3-diamine",CCNCCCN,"InChI=1S/C5H14N2/c1-2-7-5-3-4-6/h7H,2-6H2,1H3",ODGYWRBCQWKSSH-UHFFFAOYSA-N,C5H14N2,102.18,102.1156985,-0.4,38.1,29,0,2,2,4,7,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
"1,3,6-OCTATRIENE, 3,7-DIMETHYL-",013877-91-3,18756,"3,7-dimethylocta-1,3,6-triene",CC(=CCC=C(C)C=C)C,"InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3",IHPKGUQCSIINRJ-UHFFFAOYSA-N,C10H16,136.23,136.1252005,4.3,0,155,0,0,0,3,10,,,0,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
"CARBONOCHLORIDOTHIOIC ACID, S-PROPYL ESTER",013889-92-4,26323,S-propyl chloromethanethioate,CCCSC(=O)Cl,"InChI=1S/C4H7ClOS/c1-2-3-7-4(5)6/h2-3H2,1H3",FYOPSYJKEHWOBR-UHFFFAOYSA-N,C4H7ClOS,138.62,137.9906137,2.6,42.4,64,0,0,2,3,7,"144 °F (NTP, 1992)",155 °C,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"SILANE, TRICHLOROTETRADECYL-",018402-22-7,87626,trichloro(tetradecyl)silane,CCCCCCCCCCCCCC[Si](Cl)(Cl)Cl,"InChI=1S/C14H29Cl3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(15,16)17/h2-14H2,1H3",LPMVYGAHBSNGHP-UHFFFAOYSA-N,C14H29Cl3Si,331.8,330.110411,,0,169,0,0,0,12,18,,,0,0,0,1,0,0,0,1,1,0,0,1,0,0,0,0,1,0,0,0
"1-BUTANAMINE, N-PROPYL-",020193-21-9,88399,N-propylbutan-1-amine,CCCCNCCC,"InChI=1S/C7H17N/c1-3-5-7-8-6-4-2/h8H,3-7H2,1-2H3",CWYZDPHNAGSFQB-UHFFFAOYSA-N,C7H17N,115.22,115.1360995,2.1,12,35,0,1,1,5,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"2-PENTYNE, 1-CHLORO-",022592-15-0,89764,1-chloropent-2-yne,CCC#CCCl,"InChI=1S/C5H7Cl/c1-2-3-4-5-6/h2,5H2,1H3",JBKXDMAPOZZDCE-UHFFFAOYSA-N,C5H7Cl,102.56,102.0236279,1.9,0,72,0,0,0,0,6,,,0,0,0,0,0,0,0,1,1,0,1,0,0,0,0,0,1,0,0,0
"2-PROPANONE, 1-(ACETYLOXY)-3-CHLORO-",040235-68-5,38413,(3-chloro-2-oxopropyl) acetate,CC(=O)OCC(=O)CCl,"InChI=1S/C5H7ClO3/c1-4(7)9-3-5(8)2-6/h2-3H2,1H3",LCMPIWIWBGHBOY-UHFFFAOYSA-N,C5H7ClO3,150.56,150.0083718,0.5,43.4,121,0,0,3,4,9,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"NEODECANEPEROXOIC ACID, 3-HYDROXY-1,1-DIMETHYLBUTYL ESTER",095718-78-8,44146930,"(4-hydroxy-2-methylpentan-2-yl) 7,7-dimethyloctaneperoxoate",CC(CC(C)(C)OOC(=O)CCCCCC(C)(C)C)O,"InChI=1S/C16H32O4/c1-13(17)12-16(5,6)20-19-14(18)10-8-7-9-11-15(2,3)4/h13,17H,7-12H2,1-6H3",MVELOSYXCOVILT-UHFFFAOYSA-N,C16H32O4,288.42,288.2300595,4.5,55.8,279,0,1,4,11,20,,,1,0,0,0,0,0,1,0,1,0,0,0,1,0,0,1,1,0,0,0
BORON TRIFLUORIDE-PROPANOL COMPLEX,000762-48-1,16211335,propan-1-ol;trifluoroborane,B(F)(F)F.CCCO,"InChI=1S/C3H8O.BF3/c1-2-3-4;2-1(3)4/h4H,2-3H2,1H3;",RQPQOULISUUGNY-UHFFFAOYSA-N,C3H8BF3O,127.9,128.0620295,,20.2,15,0,1,4,1,8,,,0,0,1,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,1,1
ISOAMYL ACETATE,000123-92-2,31276,3-methylbutyl acetate,CC(C)CCOC(=O)C,"InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3",MLFHJEHSLIIPHL-UHFFFAOYSA-N,C7H14O2,130.18,130.0993797,2,26.3,86,0,0,2,4,9,"77 °F (NTP, 1992)","288 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
N-HEPTYL BROMIDE,000629-04-9,12369,1-bromoheptane,CCCCCCCBr,"InChI=1S/C7H15Br/c1-2-3-4-5-6-7-8/h2-7H2,1H3",LSXKDWGTSHCFPP-UHFFFAOYSA-N,C7H15Br,179.1,178.03571,4.4,0,35,0,0,0,5,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"1,4-DICHLOROBUTANE",000110-56-5,8059,"1,4-dichlorobutane",C(CCCl)CCl,InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2,KJDRSWPQXHESDQ-UHFFFAOYSA-N,C4H8Cl2,127.01,126.0003056,2.1,0,17,0,0,0,3,6,"104 °F (NTP, 1992)","309 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
2-OCTANONE,000111-13-7,8093,octan-2-one,CCCCCCC(=O)C,"InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3",ZPVFWPFBNIEHGJ-UHFFFAOYSA-N,C8H16O,128.21,128.1201151,2.4,17.1,76,0,0,1,5,9,125 °F (52 °C) (Closed cup),173.5,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
METHYL HEXANOATE,000106-70-7,7824,methyl hexanoate,CCCCCC(=O)OC,"InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3",NUKZAGXMHTUAFE-UHFFFAOYSA-N,C7H14O2,130.18,130.0993797,2.5,26.3,79,0,0,2,5,9,"163 °F (NTP, 1992)","302 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
2-PENTANOL,006032-29-7,22386,pentan-2-ol,CCCC(C)O,"InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3",JYVLIDXNZAXMDK-UHFFFAOYSA-N,C5H12O,88.15,88.088815,1.2,20.2,27,0,1,1,2,6,"95 °F (NIOSH, 2024)","234 °F at 760 mmHg (NIOSH, 2024)",0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1
ACETYLACETALDEHYDE DIMETHYL ACETAL,005436-21-5,228548,"4,4-dimethoxybutan-2-one",CC(=O)CC(OC)OC,"InChI=1S/C6H12O3/c1-5(7)4-6(8-2)9-3/h6H,4H2,1-3H3",PJCCSZUMZMCWSX-UHFFFAOYSA-N,C6H12O3,132.16,132.0786442,-0.3,35.5,86,0,0,3,4,9,,178.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
1-BROMO-4-CHLOROBUTANE,006940-78-9,81364,1-bromo-4-chlorobutane,C(CCBr)CCl,InChI=1S/C4H8BrCl/c5-3-1-2-4-6/h1-4H2,NIDSRGCVYOEDFW-UHFFFAOYSA-N,C4H8BrCl,171.46,169.94979,2.3,0,23,0,0,0,3,6,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
PYRUVIC ALDEHYDE DIMETHYL ACETAL,006342-56-9,80650,"1,1-dimethoxypropan-2-one",CC(=O)C(OC)OC,"InChI=1S/C5H10O3/c1-4(6)5(7-2)8-3/h5H,1-3H3",ULVSHNOGEVXRDR-UHFFFAOYSA-N,C5H10O3,118.13,118.0629942,-0.2,35.5,75,0,0,3,3,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
2-METHYL-3-HEXANONE,007379-12-6,23847,2-methylhexan-3-one,CCCC(=O)C(C)C,"InChI=1S/C7H14O/c1-4-5-7(8)6(2)3/h6H,4-5H2,1-3H3",HIGGFWFRAWSMBR-UHFFFAOYSA-N,C7H14O,114.19,114.1044651,1.8,17.1,74,0,0,1,3,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
1-BROMO-3-FLUOROPROPANE,000352-91-0,67699,1-bromo-3-fluoropropane,C(CF)CBr,InChI=1S/C3H6BrF/c4-2-1-3-5/h1-3H2,VNHWPVLQRKKKRY-UHFFFAOYSA-N,C3H6BrF,140.98,139.96369,1.7,0,16,0,0,1,2,5,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
(DIMETHYLAMINO)ACETONE,015364-56-4,84883,1-(dimethylamino)propan-2-one,CC(=O)CN(C)C,"InChI=1S/C5H11NO/c1-5(7)4-6(2)3/h4H2,1-3H3",VFPKIWATTACVJR-UHFFFAOYSA-N,C5H11NO,101.15,101.084064,0,20.3,68,0,0,2,2,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
2-HEPTANOL,000543-49-7,10976,heptan-2-ol,CCCCCC(C)O,"InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3",CETWDUZRCINIHU-UHFFFAOYSA-N,C7H16O,116.2,116.1201151,2.3,20.2,43,0,1,1,4,8,"160 °F (NFPA, 2010)",158-160 °C,0,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
4-HEPTANONE,000123-19-3,31246,heptan-4-one,CCCC(=O)CCC,"InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3",HCFAJYNVAYBARA-UHFFFAOYSA-N,C7H14O,114.19,114.1044651,1.6,17.1,58,0,0,1,4,8,"120 °F (NIOSH, 2024)","291 °F at 760 mmHg (NIOSH, 2024)",0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1,8-NONADIYNE",002396-65-8,16969,"nona-1,8-diyne",C#CCCCCCC#C,"InChI=1S/C9H12/c1-3-5-7-9-8-6-4-2/h1-2H,5-9H2",DMOVPHYFYSASTC-UHFFFAOYSA-N,C9H12,120.19,120.0939004,3,0,118,0,0,0,4,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
3-AMINOPROPYLDIMETHYLETHOXYSILANE,018306-79-1,87575,3-[ethoxy(dimethyl)silyl]propan-1-amine,CCO[Si](C)(C)CCCN,"InChI=1S/C7H19NOSi/c1-4-9-10(2,3)7-5-6-8/h4-8H2,1-3H3",GLISOBUNKGBQCL-UHFFFAOYSA-N,C7H19NOSi,161.32,161.1235908,,35.3,85,0,1,2,5,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
3-METHOXY-1-BUTANOL,002517-43-3,17291,3-methoxybutan-1-ol,CC(CCO)OC,"InChI=1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3",JSGVZVOGOQILFM-UHFFFAOYSA-N,C5H12O2,104.15,104.0837296,0.2,29.5,37,0,1,2,3,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
3-METHYLNONANE,005911-04-6,22202,3-methylnonane,CCCCCCC(C)CC,"InChI=1S/C10H22/c1-4-6-7-8-9-10(3)5-2/h10H,4-9H2,1-3H3",PLZDDPSCZHRBOY-UHFFFAOYSA-N,C10H22,142.28,142.1721507,5.3,0,57,0,0,0,6,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
4-PENTEN-2-OL,000625-31-0,12247,pent-4-en-2-ol,CC(CC=C)O,"InChI=1S/C5H10O/c1-3-4-5(2)6/h3,5-6H,1,4H2,2H3",ZHZCYWWNFQUZOR-UHFFFAOYSA-N,C5H10O,86.13,86.07316494,1.1,20.2,41,0,1,1,2,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
6-METHYL-5-HEPTEN-2-ONE,000110-93-0,9862,6-methylhept-5-en-2-one,CC(=CCCC(=O)C)C,"InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3",UHEPJGULSIKKTP-UHFFFAOYSA-N,C8H14O,126.2,126.1044651,1.9,17.1,119,0,0,1,3,9,135 °F (57 °C),173 °C @ 760 MM HG,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
1-NITROBUTANE,000627-05-4,12302,1-nitrobutane,CCCC[N+](=O)[O-],"InChI=1S/C4H9NO2/c1-2-3-4-5(6)7/h2-4H2,1H3",NALZTFARIYUCBY-UHFFFAOYSA-N,C4H9NO2,103.12,103.0633285,1.5,45.8,57,0,0,2,2,7,,"307 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
3-METHYL-2-BUTANOL,000598-75-4,11732,3-methylbutan-2-ol,CC(C)C(C)O,"InChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3",MXLMTQWGSQIYOW-UHFFFAOYSA-N,C5H12O,88.15,88.088815,1.3,20.2,32,0,1,1,1,6,,112.00 to 114.00 °C. @ 760.00 mm Hg,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1
ALLYLCHLOROMETHYLDIMETHYLSILANE,075422-66-1,556526,chloromethyl-dimethyl-prop-2-enylsilane,C[Si](C)(CC=C)CCl,"InChI=1S/C6H13ClSi/c1-4-5-8(2,3)6-7/h4H,1,5-6H2,2-3H3",UHHLOVCFFWGSMO-UHFFFAOYSA-N,C6H13ClSi,148.7,148.0475046,,0,78,0,0,0,3,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
OCTAMETHYLTRISILOXANE,000107-51-7,24705,dimethyl-bis(trimethylsilyloxy)silane,C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,"InChI=1S/C8H24O2Si3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h1-8H3",CXQXSVUQTKDNFP-UHFFFAOYSA-N,C8H24O2Si3,236.53,236.1084096,,18.5,149,0,0,2,4,13,,,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
BIS(TRIMETHYLSILYL)CHLOROMETHANE,005926-35-2,552583,[chloro(trimethylsilyl)methyl]-trimethylsilane,C[Si](C)(C)C([Si](C)(C)C)Cl,"InChI=1S/C7H19ClSi2/c1-9(2,3)7(8)10(4,5)6/h7H,1-6H3",XNJGZHVYPBNLEB-UHFFFAOYSA-N,C7H19ClSi2,194.85,194.0713814,,0,95,0,0,0,2,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
TITANIUM(IV) TERT-BUTOXIDE,119279-48-0,6451515,tetrakis(2-methylpropan-2-olate);titanium(4+),CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[Ti+4],"InChI=1S/4C4H9O.Ti/c4*1-4(2,3)5;/h4*1-3H3;/q4*-1;+4",GRWPYGBKJYICOO-UHFFFAOYSA-N,C16H36O4Ti,340.32,340.2093003,,92.2,25,0,0,4,0,21,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"N,N-DIETHYLHYDROXYLAMINE",003710-84-7,19463,"N,N-diethylhydroxylamine",CCN(CC)O,"InChI=1S/C4H11NO/c1-3-5(6)4-2/h6H,3-4H2,1-2H3",FVCOIAYSJZGECG-UHFFFAOYSA-N,C4H11NO,89.14,89.08406397,0.5,23.5,26,0,1,2,2,6,113 °F,130 °C,0,1,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, PROPYL ESTER",000925-60-0,13550,propyl prop-2-enoate,CCCOC(=O)C=C,"InChI=1S/C6H10O2/c1-3-5-8-6(7)4-2/h4H,2-3,5H2,1H3",PNXMTCDJUBJHQJ-UHFFFAOYSA-N,C6H10O2,114.14,114.0680796,2,26.3,86,0,0,2,4,8,,122 °C,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
(S)-(-)-2-METHYL-1-BUTANOL,001565-80-6,2723602,(2S)-2-methylbutan-1-ol,CC[C@H](C)CO,"InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1",QPRQEDXDYOZYLA-YFKPBYRVSA-N,C5H12O,88.15,88.088815,1.2,20.2,27,0,1,1,2,6,,,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
PROPYL METHACRYLATE,002210-28-8,16638,propyl 2-methylprop-2-enoate,CCCOC(=O)C(=C)C,"InChI=1S/C7H12O2/c1-4-5-9-7(8)6(2)3/h2,4-5H2,1,3H3",NHARPDSAXCBDDR-UHFFFAOYSA-N,C7H12O2,128.17,128.0837296,2.5,26.3,116,0,0,2,4,9,"86 °F (NTP, 1992)","286 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
N-PROPYLTRIETHOXYSILANE,002550-02-9,75691,triethoxy(propyl)silane,CCC[Si](OCC)(OCC)OCC,"InChI=1S/C9H22O3Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-9H2,1-4H3",NBXZNTLFQLUFES-UHFFFAOYSA-N,C9H22O3Si,206.35,206.1338211,,27.7,102,0,0,3,8,13,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
Allyltrimethoxysilane,002551-83-9,75698,trimethoxy(prop-2-enyl)silane,CO[Si](CC=C)(OC)OC,"InChI=1S/C6H14O3Si/c1-5-6-10(7-2,8-3)9-4/h5H,1,6H2,2-4H3",LFRDHGNFBLIJIY-UHFFFAOYSA-N,C6H14O3Si,162.26,162.0712208,,27.7,92,0,0,3,5,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
METHYL (R)-LACTATE,017392-83-5,637514,methyl (2R)-2-hydroxypropanoate,C[C@H](C(=O)OC)O,"InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3/t3-/m1/s1",LPEKGGXMPWTOCB-GSVOUGTGSA-N,C4H8O3,104.1,104.0473441,-0.1,46.5,69,0,1,3,2,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
2-METHYLPROPIONIC-D7 ACID,223134-74-5,10486801,"2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propanoic acid",[2H]C([2H])([2H])C([2H])(C(=O)O)C([2H])([2H])[2H],"InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)/i1D3,2D3,3D",KQNPFQTWMSNSAP-YYWVXINBSA-N,C4H8O2,95.15,95.09636672,0.8,37.3,56,0,1,2,1,6,,,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1-TERT-BUTOXY-N,N,N',N'-TETRAMETHYLMETHYLENEDIAMINE",005815-08-7,79885,"N,N,N',N'-tetramethyl-1-[(2-methylpropan-2-yl)oxy]methanediamine",CC(C)(C)OC(N(C)C)N(C)C,"InChI=1S/C9H22N2O/c1-9(2,3)12-8(10(4)5)11(6)7/h8H,1-7H3",HXRAMSFGUAOAJR-UHFFFAOYSA-N,C9H22N2O,174.28,174.1732133,1.4,15.7,119,0,0,3,4,12,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
5-HEXENENITRILE,005048-19-1,123222,hex-5-enenitrile,C=CCCCC#N,"InChI=1S/C6H9N/c1-2-3-4-5-6-7/h2H,1,3-5H2",UNAQSRLBVVDYGP-UHFFFAOYSA-N,C6H9N,95.14,95.07349929,1.4,23.8,85,0,0,1,3,7,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
ETHYL-D5 METHYL-D3 CARBONATE,1313734-97-2,71309906,"1,1,2,2,2-pentadeuterioethyl trideuteriomethyl carbonate",[2H]C([2H])([2H])C([2H])([2H])OC(=O)OC([2H])([2H])[2H],"InChI=1S/C4H8O3/c1-3-7-4(5)6-2/h3H2,1-2H3/i1D3,2D3,3D2",JBTWLSYIZRCDFO-AUOAYUKBSA-N,C4H8O3,112.15,112.0975581,0.9,35.5,60,0,0,3,3,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"TRIS(2,2,2-TRIFLUOROETHYL)PHOSPHATE",000358-63-4,303454,"tris(2,2,2-trifluoroethyl) phosphate",C(C(F)(F)F)OP(=O)(OCC(F)(F)F)OCC(F)(F)F,"InChI=1S/C6H6F9O4P/c7-4(8,9)1-17-20(16,18-2-5(10,11)12)19-3-6(13,14)15/h1-3H2",ZMQDTYVODWKHNT-UHFFFAOYSA-N,C6H6F9O4P,344.07,343.9859991,2.9,44.8,294,0,0,13,6,20,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"TERT-BUTYL 2,2,2-TRICHLOROACETIMIDATE",098946-18-0,2734700,"tert-butyl 2,2,2-trichloroethanimidate",CC(C)(C)OC(=N)C(Cl)(Cl)Cl,"InChI=1S/C6H10Cl3NO/c1-5(2,3)11-4(10)6(7,8)9/h10H,1-3H3",CQXDYHPBXDZWBA-UHFFFAOYSA-N,C6H10Cl3NO,218.5,216.982797,3,33.1,156,0,1,2,2,11,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"3-PENTANOL, 3-METHYL-",000077-74-7,6493,3-methylpentan-3-ol,CCC(C)(CC)O,"InChI=1S/C6H14O/c1-4-6(3,7)5-2/h7H,4-5H2,1-3H3",FRDAATYAJDYRNW-UHFFFAOYSA-N,C6H14O,102.17,102.1044651,1.4,20.2,46,0,1,1,2,7,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"BUTANOIC ACID, 3-METHYLBUTYL ESTER",000106-27-4,7795,3-methylbutyl butanoate,CCCC(=O)OCCC(C)C,"InChI=1S/C9H18O2/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H3",PQLMXFQTAMDXIZ-UHFFFAOYSA-N,C9H18O2,158.24,158.1306798,2.6,26.3,108,0,0,2,6,11,,179.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
"2,4-HEXANEDIONE, 1,1,1-TRIFLUORO-",000400-54-4,67864,"1,1,1-trifluorohexane-2,4-dione",CCC(=O)CC(=O)C(F)(F)F,"InChI=1S/C6H7F3O2/c1-2-4(10)3-5(11)6(7,8)9/h2-3H2,1H3",SBRYTXXHTKCMFT-UHFFFAOYSA-N,C6H7F3O2,168.11,168.039814,1.4,34.1,171,0,0,5,3,11,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"BUTANOIC ACID, PENTYL ESTER",000540-18-1,10890,pentyl butanoate,CCCCCOC(=O)CCC,"InChI=1S/C9H18O2/c1-3-5-6-8-11-9(10)7-4-2/h3-8H2,1-2H3",CFNJLPHOBMVMNS-UHFFFAOYSA-N,C9H18O2,158.24,158.1306798,2.7,26.3,99,0,0,2,7,11,"135 °F (NFPA, 2010)",185.00 to 187.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2-BUTENOIC ACID, 2-METHYLPROPYL ESTER",000589-66-2,5365793,2-methylpropyl (E)-but-2-enoate,C/C=C/C(=O)OCC(C)C,"InChI=1S/C8H14O2/c1-4-5-8(9)10-6-7(2)3/h4-5,7H,6H2,1-3H3/b5-4+",XDOWKOALJBOBBL-SNAWJCMRSA-N,C8H14O2,142.2,142.0993797,2.3,26.3,125,0,0,2,4,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"CARBONIC ACID, DIPROPYL ESTER",000623-96-1,69344,dipropyl carbonate,CCCOC(=O)OCCC,"InChI=1S/C7H14O3/c1-3-5-9-7(8)10-6-4-2/h3-6H2,1-2H3",VUPKGFBOKBGHFZ-UHFFFAOYSA-N,C7H14O3,146.18,146.0942943,2.3,35.5,80,0,0,3,6,10,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"3-PENTEN-1-OL, (E)-",000764-37-4,510370,(E)-pent-3-en-1-ol,C/C=C/CCO,"InChI=1S/C5H10O/c1-2-3-4-5-6/h2-3,6H,4-5H2,1H3/b3-2+",FSUXYWPILZJGCC-NSCUHMNNSA-N,C5H10O,86.13,86.07316494,0.9,20.2,39,0,1,1,2,6,,,0,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"ACETIC ACID, OXO-, METHYL ESTER",000922-68-9,70205,methyl 2-oxoacetate,COC(=O)C=O,"InChI=1S/C3H4O3/c1-6-3(5)2-4/h2H,1H3",KFKXSMSQHIOMSO-UHFFFAOYSA-N,C3H4O3,88.06,88.01604399,0,43.4,66,0,0,3,2,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-BUTENOIC ACID, 2-METHYL-, 1-METHYLETHYL ESTER, (E)-",001733-25-1,5367745,propan-2-yl (E)-2-methylbut-2-enoate,C/C=C(\C)/C(=O)OC(C)C,"InChI=1S/C8H14O2/c1-5-7(4)8(9)10-6(2)3/h5-6H,1-4H3/b7-5+",VUPBIVVRPJDWNW-FNORWQNLSA-N,C8H14O2,142.2,142.0993797,2.1,26.3,145,0,0,2,3,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"4-PENTENOIC ACID, ETHYL ESTER",001968-40-7,74786,ethyl pent-4-enoate,CCOC(=O)CCC=C,"InChI=1S/C7H12O2/c1-3-5-6-7(8)9-4-2/h3H,1,4-6H2,2H3",PTVSRINJXWDIKP-UHFFFAOYSA-N,C7H12O2,128.17,128.0837296,1.5,26.3,97,0,0,2,5,9,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"2-BUTYNE, 1,4-DIBROMO-",002219-66-1,75205,"1,4-dibromobut-2-yne",C(C#CCBr)Br,InChI=1S/C4H4Br2/c5-3-1-2-4-6/h3-4H2,SAJMJXZROMTSEF-UHFFFAOYSA-N,C4H4Br2,211.88,211.86593,1.8,0,66,0,0,0,0,6,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-HEXEN-1-OL, ACETATE, (E)-",002497-18-9,2733294,[(E)-hex-2-enyl] acetate,CCC/C=C/COC(=O)C,"InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h5-6H,3-4,7H2,1-2H3/b6-5+",HRHOWZHRCRZVCU-AATRIKPKSA-N,C8H14O2,142.2,142.0993797,2,26.3,116,0,0,2,5,10,,165.00 to 166.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
3-HEXENAL,004440-65-7,643139,(E)-hex-3-enal,CC/C=C/CC=O,"InChI=1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3/b4-3+",GXANMBISFKBPEX-ONEGZZNKSA-N,C6H10O,98.14,98.07316494,1.1,17.1,64,0,0,1,3,7,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2,3-BUTANEDITHIOL",004532-64-3,548353,"butane-2,3-dithiol",CC(C(C)S)S,"InChI=1S/C4H10S2/c1-3(5)4(2)6/h3-6H,1-2H3",TWWSEEHCVDRRRI-UHFFFAOYSA-N,C4H10S2,122.3,122.0223927,1.7,2,30,0,2,2,1,6,,86.00 to 87.00 °C. @ 50.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"TITANIUM, HEXABUTOXY-.MU.-OXODI-",007393-46-6,57978826,hexakis(butan-1-ol);titanium;hydrate,CCCCO.CCCCO.CCCCO.CCCCO.CCCCO.CCCCO.O.[Ti].[Ti],"InChI=1S/6C4H10O.H2O.2Ti/c6*1-2-3-4-5;;;/h6*5H,2-4H2,1H3;1H2;;",DRNPGEPMHMPIQU-UHFFFAOYSA-N,C24H62O7Ti2,558.5,558.345436,,122,138,0,7,7,12,33,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"BUTANOIC ACID, 2-METHYL-, ETHYL ESTER",007452-79-1,24020,ethyl 2-methylbutanoate,CCC(C)C(=O)OCC,"InChI=1S/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3",HCRBXQFHJMCTLF-UHFFFAOYSA-N,C7H14O2,130.18,130.0993797,1.9,26.3,88,0,0,2,4,9,,132.00 to 133.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"ETHANIMIDIC ACID, N-HYDROXY-, ETHYL ESTER",010576-12-2,5363167,ethyl (1E)-N-hydroxyethanimidate,CCO/C(=N/O)/C,"InChI=1S/C4H9NO2/c1-3-7-4(2)5-6/h6H,3H2,1-2H3/b5-4+",QWKAVVNRCKPKNM-SNAWJCMRSA-N,C4H9NO2,103.12,103.0633285,0.7,41.8,70,0,1,3,2,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"PENTANOIC ACID, 2-METHYLPROPYL ESTER",010588-10-0,66356,2-methylpropyl pentanoate,CCCCC(=O)OCC(C)C,"InChI=1S/C9H18O2/c1-4-5-6-9(10)11-7-8(2)3/h8H,4-7H2,1-3H3",ADNADZOSMJDVIS-UHFFFAOYSA-N,C9H18O2,158.24,158.1306798,2.8,26.3,108,0,0,2,6,11,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"PENTANE, 1,1,1-TRIMETHOXY-",013820-09-2,83755,"1,1,1-trimethoxypentane",CCCCC(OC)(OC)OC,"InChI=1S/C8H18O3/c1-5-6-7-8(9-2,10-3)11-4/h5-7H2,1-4H3",XUXVVQKJULMMKX-UHFFFAOYSA-N,C8H18O3,162.23,162.1255944,1.7,27.7,81,0,0,3,6,11,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1-HEPTENE, 2,4,4,6,6-PENTAMETHYL-",014031-86-8,84164,"2,4,4,6,6-pentamethylhept-1-ene",CC(=C)CC(C)(C)CC(C)(C)C,"InChI=1S/C12H24/c1-10(2)8-12(6,7)9-11(3,4)5/h1,8-9H2,2-7H3",NSSBKMKRTGHAAN-UHFFFAOYSA-N,C12H24,168.32,168.1878008,5.4,0,155,0,0,0,4,12,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"9-OCTADECENOIC ACID (Z)-, COMPD. WITH N-ETHYLETHANAMINE (1:1)",017200-00-9,6441406,N-ethylethanamine;(Z)-octadec-9-enoic acid,CCCCCCCC/C=C\CCCCCCCC(=O)O.CCNCC,"InChI=1S/C18H34O2.C4H11N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-5-4-2/h9-10H,2-8,11-17H2,1H3,(H,19,20);5H,3-4H2,1-2H3/b10-9-;",HOKMYEORIPLLGI-KVVVOXFISA-N,C22H45NO2,355.6,355.3450297,,49.3,245,0,2,3,17,25,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"HEPTANE, 3,4,5-TRIMETHYL-",020278-89-1,89304,"3,4,5-trimethylheptane",CCC(C)C(C)C(C)CC,"InChI=1S/C10H22/c1-6-8(3)10(5)9(4)7-2/h8-10H,6-7H2,1-5H3",LJIIBBYARMPSMT-UHFFFAOYSA-N,C10H22,142.28,142.1721507,4.8,0,66,0,0,0,4,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"PENTANE, 3-BROMO-3-METHYL-",025346-31-0,91414,3-bromo-3-methylpentane,CCC(C)(CC)Br,"InChI=1S/C6H13Br/c1-4-6(3,7)5-2/h4-5H2,1-3H3",ZRPQYKLJSOLRPZ-UHFFFAOYSA-N,C6H13Br,165.07,164.02006,3,0,46,0,0,0,2,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1-BUTYNE, 4,4-DIMETHOXY-",033639-45-1,118518,"4,4-dimethoxybut-1-yne",COC(CC#C)OC,"InChI=1S/C6H10O2/c1-4-5-6(7-2)8-3/h1,6H,5H2,2-3H3",GOMUIECMAFYRJQ-UHFFFAOYSA-N,C6H10O2,114.14,114.0680796,0.7,18.5,85,0,0,2,3,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"BUTANETHIOIC ACID, 3-METHYL-, S-(1-METHYLETHYL) ESTER",034322-06-0,118641,S-propan-2-yl 3-methylbutanethioate,CC(C)CC(=O)SC(C)C,"InChI=1S/C8H16OS/c1-6(2)5-8(9)10-7(3)4/h6-7H,5H2,1-4H3",KMXYCSRBFGUVHW-UHFFFAOYSA-N,C8H16OS,160.28,160.0921863,2.7,42.4,108,0,0,2,4,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"PENTANAL, 5,5-DIMETHOXY-",050789-30-5,170903,"5,5-dimethoxypentanal",COC(CCCC=O)OC,"InChI=1S/C7H14O3/c1-9-7(10-2)5-3-4-6-8/h6-7H,3-5H2,1-2H3",USXHLNDEUDDSKZ-UHFFFAOYSA-N,C7H14O3,146.18,146.0942943,0.2,35.5,78,0,0,3,6,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"BUTANOIC ACID, 2-METHYLBUTYL ESTER",051115-64-1,162627,2-methylbutyl butanoate,CCCC(=O)OCC(C)CC,"InChI=1S/C9H18O2/c1-4-6-9(10)11-7-8(3)5-2/h8H,4-7H2,1-3H3",MBZKQDXXFMITAC-UHFFFAOYSA-N,C9H18O2,158.24,158.1306798,2.6,26.3,110,0,0,2,6,11,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2-PROPENOIC ACID, 3,3,4,4,5,5,6,6,6-NONAFLUOROHEXYL ESTER",052591-27-2,104247,"3,3,4,4,5,5,6,6,6-nonafluorohexyl prop-2-enoate",C=CC(=O)OCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C9H7F9O2/c1-2-5(19)20-4-3-6(10,11)7(12,13)8(14,15)9(16,17)18/h2H,1,3-4H2",GYUPEJSTJSFVRR-UHFFFAOYSA-N,C9H7F9O2,318.14,318.0302329,4.2,26.3,372,0,0,11,7,20,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"3-HEXEN-1-OL, FORMATE, (E)-",056922-80-6,6306732,[(E)-hex-3-enyl] formate,CC/C=C/CCOC=O,"InChI=1S/C7H12O2/c1-2-3-4-5-6-9-7-8/h3-4,7H,2,5-6H2,1H3/b4-3+",XJHQVZQZUGLZLS-ONEGZZNKSA-N,C7H12O2,128.17,128.0837296,1.9,26.3,86,0,0,2,5,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"SILANE, [(3-METHOXY-1-METHYLENE-2-PROPENYL)OXY]TRIMETHYL-",059414-23-2,101051,"4-methoxybuta-1,3-dien-2-yloxy(trimethyl)silane",COC=CC(=C)O[Si](C)(C)C,"InChI=1S/C8H16O2Si/c1-8(6-7-9-2)10-11(3,4)5/h6-7H,1H2,2-5H3",SHALBPKEGDBVKK-UHFFFAOYSA-N,C8H16O2Si,172.3,172.0919563,,18.5,156,0,0,2,4,11,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"SILANE, DIMETHOXY(1-METHYLETHYL)(2-METHYLPROPYL)-",111439-76-0,86305,dimethoxy-(2-methylpropyl)-propan-2-ylsilane,CC(C)C[Si](C(C)C)(OC)OC,"InChI=1S/C9H22O2Si/c1-8(2)7-12(10-5,11-6)9(3)4/h8-9H,7H2,1-6H3",XFAOZKNGVLIXLC-UHFFFAOYSA-N,C9H22O2Si,190.35,190.1389065,,18.5,120,0,0,2,5,12,,,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
BIS(ETHYL ACETOACETATO)DIISOPROPOXY TITANIUM,027858-32-8,54692982,bis((Z)-4-ethoxy-4-oxobut-2-en-2-olate);bis(propan-2-olate);titanium(4+),CCOC(=O)/C=C(\[O-])/C.CCOC(=O)/C=C(\[O-])/C.CC([O-])C.CC([O-])C.[Ti+4],"InChI=1S/2C6H10O3.2C3H7O.Ti/c2*1-3-9-6(8)4-5(2)7;2*1-3(2)4;/h2*4,7H,3H2,1-2H3;2*3H,1-2H3;/q;;2*-1;+4/p-2/b2*5-4-;;;",NOGBEXBVDOCGDB-NRFIWDAESA-L,C18H32O8Ti,424.3,424.1576587,,145,137,0,0,8,6,27,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
2-METHYLLACTIC ACID ETHYL ESTER,000080-55-7,6653,ethyl 2-hydroxy-2-methylpropanoate,CCOC(=O)C(C)(C)O,"InChI=1S/C6H12O3/c1-4-9-5(7)6(2,3)8/h8H,4H2,1-3H3",GFUIDHWFLMPAGY-UHFFFAOYSA-N,C6H12O3,132.16,132.0786442,0.4,46.5,107,0,1,3,3,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
(DIETHYLAMINO)ACETONE,001620-14-0,74176,1-(diethylamino)propan-2-one,CCN(CC)CC(=O)C,"InChI=1S/C7H15NO/c1-4-8(5-2)6-7(3)9/h4-6H2,1-3H3",GDXMMBDEMOUTNS-UHFFFAOYSA-N,C7H15NO,129.2,129.1153641,0.7,20.3,86,0,0,2,4,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
CHLOROACETONE,000078-95-5,6571,1-chloropropan-2-one,CC(=O)CCl,"InChI=1S/C3H5ClO/c1-3(5)2-4/h2H2,1H3",BULLHNJGPPOUOX-UHFFFAOYSA-N,C3H5ClO,92.52,92.0028925,0.6,17.1,42,0,0,1,1,5,82 °F,248 °F (120 ° C),1,1,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
1-METHYL-BUTYLAMINE,063493-28-7,12246,pentan-2-amine,CCCC(C)N,"InChI=1S/C5H13N/c1-3-4-5(2)6/h5H,3-4,6H2,1-2H3",IGEIPFLJVCPEKU-UHFFFAOYSA-N,C5H13N,87.16,87.10479942,1,26,27,0,1,1,2,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
2-(DIMETHYLAMINO)ETHYL ACRYLATE,002439-35-2,17111,2-(dimethylamino)ethyl prop-2-enoate,CN(C)CCOC(=O)C=C,"InChI=1S/C7H13NO2/c1-4-7(9)10-6-5-8(2)3/h4H,1,5-6H2,2-3H3",DPBJAVGHACCNRL-UHFFFAOYSA-N,C7H13NO2,143.18,143.0946287,0.5,29.5,121,0,0,3,5,10,"85 °F (NTP, 1992)",,1,1,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,1,0,0
DIMETHYL METHYLPHOSPHONATE,000756-79-6,12958,[methoxy(methyl)phosphoryl]oxymethane,COP(=O)(C)OC,"InChI=1S/C3H9O3P/c1-5-7(3,4)6-2/h1-3H3",VONWDASPFIQPDY-UHFFFAOYSA-N,C3H9O3P,124.08,124.0289311,-0.7,35.5,82,0,0,3,2,7,"110 °F (NTP, 1992)","358 °F at 760 mmHg (NTP, 1992)",0,0,1,0,0,0,0,1,1,0,1,0,0,1,0,0,0,0,0,0
FORMIC ACID,000064-18-6,284,formic acid,C(=O)O,"InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)",BDAGIHXWWSANSR-UHFFFAOYSA-N,CH2O2,46.025,46.0054793,-0.2,37.3,10,0,1,2,0,3,"156 °F (NTP, 1992)","213.3 °F at 760 mmHg (NTP, 1992)",0,0,1,1,0,0,0,1,1,0,0,1,0,0,0,0,1,0,0,0
DIBUTYLAMINE,000111-92-2,8148,N-butylbutan-1-amine,CCCCNCCCC,"InChI=1S/C8H19N/c1-3-5-7-9-8-6-4-2/h9H,3-8H2,1-2H3",JQVDAXLFBXTEQA-UHFFFAOYSA-N,C8H19N,129.24,129.1517496,2.8,12,37,0,1,1,6,9,"125 °F (NTP, 1992)","318 to 320 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"3,5,5-TRIMETHYLHEXANAL",005435-64-3,21574,"3,5,5-trimethylhexanal",CC(CC=O)CC(C)(C)C,"InChI=1S/C9H18O/c1-8(5-6-10)7-9(2,3)4/h6,8H,5,7H2,1-4H3",WTPYRCJDOZVZON-UHFFFAOYSA-N,C9H18O,142.24,142.1357652,2.7,17.1,99,0,0,1,4,10,116 °F; 47 °C; closed cup,173 °C,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,1,0,0
ETHYL LACTATE,000097-64-3,7344,ethyl 2-hydroxypropanoate,CCOC(=O)C(C)O,"InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3",LZCLXQDLBQLTDK-UHFFFAOYSA-N,C5H10O3,118.13,118.0629942,0.2,46.5,79,0,1,3,3,8,"115 °F (USCG, 1999)","309 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
"1,3-DIBROMOPROPANE",000109-64-8,8001,"1,3-dibromopropane",C(CBr)CBr,InChI=1S/C3H6Br2/c4-2-1-3-5/h1-3H2,VEFLKXRACNJHOV-UHFFFAOYSA-N,C3H6Br2,201.89,201.88158,2.4,0,12,0,0,0,2,5,Flash point: -34.4 °C,167 °C,0,0,0,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
6-(TERT-BUTOXY)-6-OXOHEXANOIC ACID,052221-07-5,15908937,6-[(2-methylpropan-2-yl)oxy]-6-oxohexanoic acid,CC(C)(C)OC(=O)CCCCC(=O)O,"InChI=1S/C10H18O4/c1-10(2,3)14-9(13)7-5-4-6-8(11)12/h4-7H2,1-3H3,(H,11,12)",SNOPFBNMUDQLMF-UHFFFAOYSA-N,C10H18O4,202.25,202.1205091,1.2,63.6,203,0,1,4,7,14,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"PROPANENITRILE, 3-(PROPYLAMINO)-",007249-87-8,81663,3-(propylamino)propanenitrile,CCCNCCC#N,"InChI=1S/C6H12N2/c1-2-5-8-6-3-4-7/h8H,2-3,5-6H2,1H3",MZQXEAUWIMFFCG-UHFFFAOYSA-N,C6H12N2,112.17,112.1000484,0.4,35.8,79,0,1,2,4,8,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"(2S,3S)-(+)-2,3-BUTANEDIOL",019132-06-0,439888,"(2S,3S)-butane-2,3-diol",C[C@@H]([C@H](C)O)O,"InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m0/s1",OWBTYPJTUOEWEK-IMJSIDKUSA-N,C4H10O2,90.12,90.06807956,-0.9,40.5,30,0,2,2,1,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
ETHYL 2-METHYLACETOACETATE,000609-14-3,701,ethyl 2-methyl-3-oxobutanoate,CCOC(=O)C(C)C(=O)C,"InChI=1S/C7H12O3/c1-4-10-7(9)5(2)6(3)8/h5H,4H2,1-3H3",FNENWZWNOPCZGK-UHFFFAOYSA-N,C7H12O3,144.17,144.0786442,0.9,43.4,140,0,0,3,4,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1-BROMO-3,6-DIOXAHEPTANE",054149-17-6,123532,1-(2-bromoethoxy)-2-methoxyethane,COCCOCCBr,"InChI=1S/C5H11BrO2/c1-7-4-5-8-3-2-6/h2-5H2,1H3",HUXJXNSHCKHFIL-UHFFFAOYSA-N,C5H11BrO2,183.04,181.99424,0.5,18.5,41,0,0,2,5,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"METHYL 3,3-DIMETHOXYPROPIONATE",007424-91-1,81924,"methyl 3,3-dimethoxypropanoate",COC(CC(=O)OC)OC,"InChI=1S/C6H12O4/c1-8-5(7)4-6(9-2)10-3/h6H,4H2,1-3H3",SMCVPMKCDDNUCQ-UHFFFAOYSA-N,C6H12O4,148.16,148.0735589,-0.1,44.8,97,0,0,4,5,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"ACETIC ACID, DIMETHOXY-, METHYL ESTER",000089-91-8,66647,"methyl 2,2-dimethoxyacetate",COC(C(=O)OC)OC,"InChI=1S/C5H10O4/c1-7-4(6)5(8-2)9-3/h5H,1-3H3",NZTCVGHPDWAALP-UHFFFAOYSA-N,C5H10O4,134.13,134.0579088,0,44.8,87,0,0,4,4,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"CARBONODITHIOIC ACID, O,S-DIETHYL ESTER",000623-79-0,69342,O-ethyl ethylsulfanylmethanethioate,CCOC(=S)SCC,"InChI=1S/C5H10OS2/c1-3-6-5(7)8-4-2/h3-4H2,1-2H3",JGZZEAPGGFAOAY-UHFFFAOYSA-N,C5H10OS2,150.3,150.0173073,2.4,66.6,72,0,0,3,4,8,,,0,1,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
"1-NONENE, 9-CHLORO-",000872-06-0,70102,9-chloronon-1-ene,C=CCCCCCCCCl,"InChI=1S/C9H17Cl/c1-2-3-4-5-6-7-8-9-10/h2H,1,3-9H2",AJGQFZNQNJVFQX-UHFFFAOYSA-N,C9H17Cl,160.68,160.1018782,4.7,0,69,0,0,0,7,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"PROPANE, 1,3-DIBROMO-2,2-DIMETHYL-",005434-27-5,79491,"1,3-dibromo-2,2-dimethylpropane",CC(C)(CBr)CBr,"InChI=1S/C5H10Br2/c1-5(2,3-6)4-7/h3-4H2,1-2H3",UXAFLFGXSIWWMY-UHFFFAOYSA-N,C5H10Br2,229.94,229.91288,2.9,0,44,0,0,0,2,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-PROPANOL, 1-(METHYLTHIO)-",006943-87-9,97869,1-methylsulfanylpropan-2-ol,CC(CSC)O,"InChI=1S/C4H10OS/c1-4(5)3-6-2/h4-5H,3H2,1-2H3",VHMYGROEIUZTQW-UHFFFAOYSA-N,C4H10OS,106.19,106.0452361,0.6,45.5,30,0,1,2,2,6,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
ERBIUM METAL,007440-52-0,23980,erbium,[Er],InChI=1S/Er,UYAHIZSMUZPPFV-UHFFFAOYSA-N,Er,167.26,165.930301,,0,0,0,0,0,0,1,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
YTTERBIUM METAL (POWDER),007440-64-4,23992,ytterbium,[Yb],InChI=1S/Yb,NAWDYIZEMPQZHO-UHFFFAOYSA-N,Yb,173.05,173.9388675,,0,0,0,0,0,0,1,,,0,1,1,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
TITANIUM HYDRIDE,007704-98-5,197094,hydride;titanium(2+),[H-].[H-].[Ti+2],InChI=1S/Ti.2H/q+2;2*-1,KAZWGWWZKAHTKC-UHFFFAOYSA-N,H2Ti,49.883,49.9635907,,0,0,0,0,2,0,1,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
"1,3-BIS(TRIMETHYLSILYL)UREA",018297-63-7,87562,"1,3-bis(trimethylsilyl)urea",C[Si](C)(C)NC(=O)N[Si](C)(C)C,"InChI=1S/C7H20N2OSi2/c1-11(2,3)8-7(10)9-12(4,5)6/h1-6H3,(H2,8,9,10)",MASDFXZJIDNRTR-UHFFFAOYSA-N,C7H20N2OSi2,204.42,204.1114163,,41.1,151,0,2,1,2,12,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
BORANE-AMMONIA COMPLEX,013774-81-7,132598553,azaniumylboranuide,[BH3-][NH3+],InChI=1S/BH6N/c1-2/h1-2H3,PJYXJGDRFASJSB-UHFFFAOYSA-N,BH6N,30.87,31.0593294,,27.6,2,0,1,1,0,2,,,0,0,1,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
LITHIUM DIISOPROPYLAMIDE (POWDER),004111-54-0,2724682,lithium di(propan-2-yl)azanide,[Li+].CC(C)[N-]C(C)C,"InChI=1S/C6H14N.Li/c1-5(2)7-6(3)4;/h5-6H,1-4H3;/q-1;+1",ZCSHNCUQKCANBX-UHFFFAOYSA-N,C6H14LiN,107.1,107.1286279,,1,37,0,0,1,2,8,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,0
DECYL SODIUM SULFATE,000142-87-0,23665771,sodium decyl sulfate,CCCCCCCCCCOS(=O)(=O)[O-].[Na+],"InChI=1S/C10H22O4S.Na/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;/h2-10H2,1H3,(H,11,12,13);/q;+1/p-1",XZTJQQLJJCXOLP-UHFFFAOYSA-M,C10H21NaO4S,260.33,260.1058246,,74.8,223,0,0,4,10,16,,,0,0,1,1,0,0,1,1,0,1,0,0,0,0,0,0,1,0,0,1
LANTHANUM ETHOXIDE,090397-54-9,14274587,ethanolate;lanthanum(3+),CC[O-].CC[O-].CC[O-].[La+3],"InChI=1S/3C2H5O.La/c3*1-2-3;/h3*2H2,1H3;/q3*-1;+3",NPAJGHOZGYPSTK-UHFFFAOYSA-N,C6H15LaO3,274.09,274.008482,,69.2,2,0,0,3,0,10,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0
"4,4'-AZOBIS(4-CYANOPENTANOIC ACID)",002638-94-0,92938,4-[(4-carboxy-2-cyanobutan-2-yl)diazenyl]-4-cyanopentanoic acid,CC(CCC(=O)O)(C#N)N=NC(C)(CCC(=O)O)C#N,"InChI=1S/C12H16N4O4/c1-11(7-13,5-3-9(17)18)15-16-12(2,8-14)6-4-10(19)20/h3-6H2,1-2H3,(H,17,18)(H,19,20)",VFXXTYGQYWRHJP-UHFFFAOYSA-N,C12H16N4O4,280.28,280.117155,0.3,147,466,0,2,8,8,20,,,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,1,0,0,0,0
MAGNESIUM BROMIDE DIETHYL ETHERATE,029858-07-9,9903262,magnesium;ethoxyethane;dibromide,CCOCC.[Mg+2].[Br-].[Br-],"InChI=1S/C4H10O.2BrH.Mg/c1-3-5-4-2;;;/h3-4H2,1-2H3;2*1H;/q;;;+2/p-2",JGZKUKYUQJUUNE-UHFFFAOYSA-L,C4H10Br2MgO,258.24,257.89283,,9.2,11,0,0,3,2,8,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
"HYDRAZINECARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTER",000870-46-2,70091,tert-butyl N-aminocarbamate,CC(C)(C)OC(=O)NN,"InChI=1S/C5H12N2O2/c1-5(2,3)9-4(8)7-6/h6H2,1-3H3,(H,7,8)",DKACXUFSLUYRFU-UHFFFAOYSA-N,C5H12N2O2,132.16,132.0898776,0.2,64.4,106,0,2,3,2,9,,,0,1,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
"CARBONIC ACID, MONOETHYL ESTER, MAGNESIUM SALT",016891-37-5,167585,magnesium ethyl carbonate,CCOC(=O)[O-].CCOC(=O)[O-].[Mg+2],"InChI=1S/2C3H6O3.Mg/c2*1-2-6-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+2/p-2",HONQAQNYJBKAMA-UHFFFAOYSA-L,C6H10MgO6,202.45,202.0327797,,98.7,44,0,0,6,2,13,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0
"2-BUTANOL, 2-METHYL-, POTASSIUM SALT",041233-93-6,24192319,,CCC(C)(C)O.[K],"InChI=1S/C5H12O.K/c1-4-5(2,3)6;/h6H,4H2,1-3H3;",GGIFEFBEDYDOTI-UHFFFAOYSA-N,C5H12KO,127.25,127.0525215,,20.2,39,0,1,1,1,7,,,0,1,1,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
"TERT-DODECANETHIOL, SILVER(1+) SALT",043126-83-6,162539,silver 2-methylundecane-2-thiolate,CCCCCCCCCC(C)(C)[S-].[Ag+],"InChI=1S/C12H26S.Ag/c1-4-5-6-7-8-9-10-11-12(2,3)13;/h13H,4-11H2,1-3H3;/q;+1/p-1",SLGISBQSCKTOME-UHFFFAOYSA-M,C12H25AgS,309.26,308.07279,,1,108,0,0,1,8,14,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
ZIRCONIUM HYDRIDE,007704-99-6,4137802,zirconium dihydride,[ZrH2],InChI=1S/Zr.2H,QSGNKXDSTRDWKA-UHFFFAOYSA-N,H2Zr,93.24,91.920349,,0,0,0,0,0,0,1,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
TITANIUM ALUMINUM,012004-78-3,165935,alumane;titanium,[AlH3].[AlH3].[AlH3].[Ti],InChI=1S/3Al.Ti.9H,ZOTQKIDWBQQTAL-UHFFFAOYSA-N,Al3H9Ti,137.883,137.962981,,0,0,0,0,0,0,4,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
COPPER(II)ETHOXIDE,002850-65-9,14419876,copper ethanolate,CC[O-].CC[O-].[Cu+2],"InChI=1S/2C2H5O.Cu/c2*1-2-3;/h2*2H2,1H3;/q2*-1;+2",CRCKGIUJMFFISH-UHFFFAOYSA-N,C4H10CuO2,153.67,152.997677,,46.1,2,0,0,2,0,7,,,0,0,0,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
"BARIUM METAL (RODS, PIECES, DENDRITIC SOLID, GRANULES)",007440-39-3,5355457,barium,[Ba],InChI=1S/Ba,DSAJWYNOEDNPEQ-UHFFFAOYSA-N,Ba,137.33,137.905247,,0,0,0,0,0,0,1,,"2984 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
RHODIUM METAL (SOLID),007440-16-6,23948,rhodium,[Rh],InChI=1S/Rh,MHOVAHRLVXNVSD-UHFFFAOYSA-N,Rh,102.9055,102.90549,,0,0,0,0,0,0,1,,"6741 °F at 760 mmHg (NIOSH, 2024)",0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
TETRAAMMINEPLATINUM(II) NITRATE,020634-12-2,146543,azane;platinum(2+);dinitrate,N.N.N.N.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Pt+2],InChI=1S/2NO3.4H3N.Pt/c2*2-1(3)4;;;;;/h;;4*1H3;/q2*-1;;;;;+2,RBAKORNXYLGSJB-UHFFFAOYSA-N,H12N6O6Pt,387.22,387.046626,,130,18,0,4,10,0,13,,,0,0,0,0,0,0,1,1,0,0,0,0,1,0,0,1,1,1,0,1
1-[(1-CYANO-1-METHYLETHYL)AZO]FORMAMIDE [2-(1-CYANO-1-METHYETHYL)AZOCARBOXAMID,010288-28-5,82519,2-cyanopropan-2-yliminourea,CC(C)(C#N)N=NC(=O)N,"InChI=1S/C5H8N4O/c1-5(2,3-6)9-8-4(7)10/h1-2H3,(H2,7,10)",CKSAKVMRQYOFBC-UHFFFAOYSA-N,C5H8N4O,140.14,140.0698109,0.2,91.6,209,0,1,3,1,10,,,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0
METHYL ETHYL KETONE PEROXIDE,001338-23-4,3672772,2-hydroperoxy-2-(2-hydroperoxybutan-2-ylperoxy)butane,CCC(C)(OO)OOC(C)(CC)OO,"InChI=1S/C8H18O6/c1-5-7(3,11-9)13-14-8(4,6-2)12-10/h9-10H,5-6H2,1-4H3",WFUGQJXVXHBTEM-UHFFFAOYSA-N,C8H18O6,210.22,210.1103383,1.3,77.4,146,0,2,6,7,14,"180 °F (NTP, 1992)","244 °F at 760 mmHg (Decomposes) (NIOSH, 2024)",0,0,1,1,0,0,0,1,0,0,0,0,1,0,0,1,1,0,0,1
TRIISOPROPYLPHOSPHINE,006476-36-4,80969,tri(propan-2-yl)phosphane,CC(C)P(C(C)C)C(C)C,"InChI=1S/C9H21P/c1-7(2)10(8(3)4)9(5)6/h7-9H,1-6H3",IGNTWNVBGLNYDV-UHFFFAOYSA-N,C9H21P,160.24,160.1380877,2.3,0,65,0,0,0,3,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
LITHIUM DIETHYLAMIDE,000816-43-3,11137085,lithium diethylazanide,[Li+].CC[N-]CC,"InChI=1S/C4H10N.Li/c1-3-5-4-2;/h3-4H2,1-2H3;/q-1;+1",AHNJTQYTRPXLLG-UHFFFAOYSA-N,C4H10LiN,79.1,79.09732776,,1,15,0,0,1,2,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
DIETHYLCADMIUM,000592-02-9,521867,cadmium(2+);ethane,C[CH2-].C[CH2-].[Cd+2],"InChI=1S/2C2H5.Cd/c2*1-2;/h2*1H2,2H3;/q2*-1;+2",UJYLYGDHTIVYRI-UHFFFAOYSA-N,C4H10Cd,170.54,171.981615,,0,3,0,0,2,0,5,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"ALUMINUM, DIETHYLHYDRO-",000871-27-2,16683070,,CC[Al]CC,"InChI=1S/2C2H5.Al/c2*1-2;/h2*1H2,2H3;",CQYBWJYIKCZXCN-UHFFFAOYSA-N,C4H10Al,85.1,85.0597887,,0,11,0,0,0,2,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"ALUMINUM, DICHLORO(2-METHYLPROPYL)-",001888-87-5,74679,dichloro(2-methylpropyl)alumane,CC(C)C[Al](Cl)Cl,"InChI=1S/C4H9.Al.2ClH/c1-4(2)3;;;/h4H,1H2,2-3H3;;2*1H/q;+2;;/p-2",NMVXHZSPDTXJSJ-UHFFFAOYSA-L,C4H9AlCl2,155,153.9896691,,0,45,0,0,0,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ALUMINUM, DIETHYLIODO-",002040-00-8,74874,diethyl(iodo)alumane,CC[Al](CC)I,"InChI=1S/2C2H5.Al.HI/c2*1-2;;/h2*1H2,2H3;;1H/q;;+1;/p-1",PPQUYYAZSOKTQD-UHFFFAOYSA-M,C4H10AlI,212.01,211.96426,,0,26,0,0,0,2,6,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"ALUMINUM, DIBUTYLCHLORO-",003537-86-8,77077,dibutyl(chloro)alumane,CCCC[Al](CCCC)Cl,"InChI=1S/2C4H9.Al.ClH/c2*1-3-4-2;;/h2*1,3-4H2,2H3;;1H/q;;+1;/p-1",VJRUISVXILMZSL-UHFFFAOYSA-M,C8H18AlCl,176.66,176.0912417,,0,58,0,0,0,6,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"ALUMINUM, TRIS(1,1-DIMETHYLETHYL)-",004731-36-6,16683952,tritert-butylalumane,CC(C)(C)[Al](C(C)(C)C)C(C)(C)C,InChI=1S/3C4H9.Al/c3*1-4(2)3;/h3*1-3H3;,RTAKQLTYPVIOBZ-UHFFFAOYSA-N,C12H27Al,198.32,198.1928143,,0,128,0,0,0,3,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
ZIRCONIUM (POWDER),007440-67-7,23995,zirconium,[Zr],InChI=1S/Zr,QCWXUUIWCKQGHC-UHFFFAOYSA-N,Zr,91.22,89.904699,,0,0,0,0,0,0,1,,"6471 °F at 760 mmHg (NIOSH, 2024)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CADMIUM METAL (POWDER),007440-43-9,23973,cadmium,[Cd],InChI=1S/Cd,BDOSMKKIYDKNTQ-UHFFFAOYSA-N,Cd,112.41,113.903365,,0,0,0,0,0,0,1,,"1409 °F at 760 mmHg (NTP, 1992)",1,0,1,0,0,1,1,0,0,0,1,0,0,1,0,0,0,0,1,0
LITHIUM AMIDE,007782-89-0,24532,lithium azanide,[Li+].[NH2-],InChI=1S/Li.H2N/h;1H2/q+1;-1,AFRJJFRNGGLMDW-UHFFFAOYSA-N,H2LiN,23,23.0347275,,1,2,0,1,1,0,2,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
POTASSIUM ETHOXIDE,000917-58-8,23670592,potassium ethanolate,CC[O-].[K+],"InChI=1S/C2H5O.K/c1-2-3;/h2H2,1H3;/q-1;+1",RPDAUEIUDPHABB-UHFFFAOYSA-N,C2H5KO,84.16,83.99774626,,23.1,6,0,0,1,0,4,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM HYDROSULFITE,007775-14-6,24489,,[O-]S(=O)S(=O)[O-].[Na+].[Na+],"InChI=1S/2Na.H2O4S2/c;;1-5(2)6(3)4/h;;(H,1,2)(H,3,4)/q2*+1;/p-2",JVBXVOWTABLYPX-UHFFFAOYSA-L,Na2O4S2,174.11,173.9033394,,119,60,0,0,6,0,8,about 100 °C (open cup),,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CALCIUM ISOPPROPOXIDE,015571-51-4,13766994,calcium bis(propan-2-olate),CC(C)[O-].CC(C)[O-].[Ca+2],"InChI=1S/2C3H7O.Ca/c2*1-3(2)4;/h2*3H,1-2H3;/q2*-1;+2",MMLSWLZTJDJYJH-UHFFFAOYSA-N,C6H14CaO2,158.25,158.0619705,,46.1,10,0,0,2,0,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
IRON OXIDE BLACK,001317-61-9,16211978,oxoiron;oxo(oxoferriooxy)iron,O=[Fe].O=[Fe]O[Fe]=O,InChI=1S/3Fe.4O,SZVJSHCCFOBDDC-UHFFFAOYSA-N,Fe3O4,231.53,231.784465,,60.4,36,0,0,4,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LITHIUM HYDRIDE,007580-67-8,62714,lithium hydride,[H-].[Li+],InChI=1S/Li.H/q+1;-1,SRTHRWZAMDZJOS-UHFFFAOYSA-N,HLi,8,8.02382847,,0,0,0,0,1,0,1,,"Decomposes (NIOSH, 2024)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM BORODEUTERIDE,015681-89-7,23673181,sodium tetradeuterioboranuide,[2H][B-]([2H])([2H])[2H].[Na+],InChI=1S/BH4.Na/h1H4;/q-1;+1/i1D4;,YOQDYZUWIQVZSF-XWFVQAFUSA-N,BH4Na,41.86,42.0554816,,0,2,0,0,1,0,2,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
BIS(TRIMETHYLSILYL)TELLURIDE,004551-16-0,553023,trimethyl(trimethylsilyltellanyl)silane,C[Si](C)(C)[Te][Si](C)(C)C,"InChI=1S/C6H18Si2Te/c1-7(2,3)9-8(4,5)6/h1-6H3",VMDCDZDSJKQVBK-UHFFFAOYSA-N,C6H18Si2Te,274,276.0009264,,0,76,0,0,0,2,9,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0
LITHIUM (2H4)TETRAHYDROBORATE(1-),015246-28-3,23681587,lithium tetradeuterioboranuide,[2H][B-]([2H])([2H])[2H].[Li+],InChI=1S/BH4.Li/h1H4;/q-1;+1/i1D4;,UUKMSDRCXNLYOO-XWFVQAFUSA-N,BH4Li,25.8,26.0817157,,0,2,0,0,1,0,2,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
CALCIUM PHOSPHIDE (CA3P2),001305-99-3,14780,tricalcium bis(phosphorus(3-)),[P-3].[P-3].[Ca+2].[Ca+2].[Ca+2],InChI=1S/3Ca.2P/q3*+2;2*-3,HMJZRBDFJAQGEY-UHFFFAOYSA-N,Ca3P2,182.18,181.8352965,,0,0,0,0,2,0,5,,Decomposes,1,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
MAGNESIUM BOROHYDRIDE,016903-37-0,12106456,magnesium boranuide,[BH4-].[BH4-].[Mg+2],InChI=1S/2BH4.Mg/h2*1H4;/q2*-1;+2,BAJRVYFABMRJEO-UHFFFAOYSA-N,B2H8Mg,54,54.0662523,,0,0,0,0,2,0,3,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
LITHIUM SELENIDE (LI2SE),012136-60-6,82935,,[Li][Se][Li],InChI=1S/2Li.Se,PEXNRZDEKZDXPZ-UHFFFAOYSA-N,Li2Se,92.9,93.94853,,0,2,0,0,0,0,3,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
BROMO(3-METHYLBUTYL)MAGNESIUM,004548-78-1,10942975,magnesium;2-methylbutane;bromide,CC(C)C[CH2-].[Mg+2].[Br-],"InChI=1S/C5H11.BrH.Mg/c1-4-5(2)3;;/h5H,1,4H2,2-3H3;1H;/q-1;;+2/p-1",WJGVYRMMIIWBAU-UHFFFAOYSA-M,C5H11BrMg,175.35,173.98945,,0,22,0,0,2,1,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
CHLORINE,007782-50-5,24526,molecular chlorine,ClCl,InChI=1S/Cl2/c1-2,KZBUYRJDOAKODT-UHFFFAOYSA-N,Cl2,70.9,69.9377054,1.6,0,0,0,0,0,0,2,,"-30.3 °F at 760 mmHg (EPA, 1998)",1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NITRIC OXIDE,010102-43-9,145068,nitric oxide,[N]=O,InChI=1S/NO/c1-2,MWUXSHHQAYIFBG-UHFFFAOYSA-N,NO,30.006,29.99798862,0.2,18.1,2,0,0,1,0,2,,"-241.1 °F at 760 mmHg (EPA, 1998)",0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,0
NITROGEN DIOXIDE,010102-44-0,3032552,,N(=O)[O],InChI=1S/NO2/c2-1-3,JCXJVPUVTGWSNB-UHFFFAOYSA-N,NO2,46.006,45.99290324,-0.3,30.4,7,0,0,2,0,3,,"70.07 °F at 760 mmHg (EPA, 1998)",0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
OXYGEN DIFLUORIDE,007783-41-7,24547,fluoro hypofluorite,O(F)F,InChI=1S/F2O/c1-3-2,UJMWVICAENGCRF-UHFFFAOYSA-N,F2O,53.996,53.99172094,1.2,9.2,2,0,0,3,0,3,,"-230 °F at 760 mmHg (NIOSH, 2024)",0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
FLUORINE,007782-41-4,24524,molecular fluorine,FF,InChI=1S/F2/c1-2,PXGOKWXKJXAPGV-UHFFFAOYSA-N,F2,37.99680632,37.99680632,1.1,0,0,0,0,2,0,2,,"-306.6 °F at 760 mmHg (EPA, 1998)",0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PEROXYMONOSULFURIC ACID, MONOPOTASSIUM SALT",010058-23-8,23712892,potassium hydroxy sulfate,OOS(=O)(=O)[O-].[K+],"InChI=1S/K.H2O5S/c;1-5-6(2,3)4/h;1H,(H,2,3,4)/q+1;/p-1",OKBMCNHOEMXPTM-UHFFFAOYSA-M,HKO5S,152.17,151.9181758,,95,105,0,1,5,1,7,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
POTASSIUM BROMATE,007758-01-2,23673461,potassium bromate,[O-]Br(=O)=O.[K+],"InChI=1S/BrHO3.K/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1",OCATYIAKPYKMPG-UHFFFAOYSA-M,BrKO3,167,165.86679,,57.2,49,0,0,3,0,5,,"Decomposes at 698 °F (NTP, 1992)",0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
SILVER OXIDE,020667-12-3,9794626,disilver;oxygen(2-),[O-2].[Ag+].[Ag+],InChI=1S/2Ag.O/q2*+1;-2,NDVLTYZPCACLMA-UHFFFAOYSA-N,Ag2O,231.736,231.80476,,1,0,0,0,1,0,3,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
POTASSIUM PERCHLORATE,007778-74-7,516900,potassium perchlorate,[O-]Cl(=O)(=O)=O.[K+],"InChI=1S/ClHO4.K/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1",YLMGFJXSLBMXHK-UHFFFAOYSA-M,ClKO4,138.55,137.9122177,,74.3,118,0,0,4,0,6,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
SODIUM PERCHLORATE,007601-89-0,522606,sodium perchlorate,[O-]Cl(=O)(=O)=O.[Na+],"InChI=1S/ClHO4.Na/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1",BAZAXWOYCMUHIX-UHFFFAOYSA-M,ClNaO4,122.44,121.9382805,,74.3,118,0,0,4,0,6,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
MAGNESIUM PERCHLORATE ANHYDROUS,010034-81-8,24840,magnesium diperchlorate,[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Mg+2],"InChI=1S/2ClHO4.Mg/c2*2-1(3,4)5;/h2*(H,2,3,4,5);/q;;+2/p-2",MPCRDALPQLDDFX-UHFFFAOYSA-L,Cl2MgO8,223.2,221.882064,,149,95,0,0,8,0,11,,"Decomposes above 482.0 °F (USCG, 1999)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MAGNESIUM PEROXIDE,001335-26-8,61745,magnesium peroxide,[O-][O-].[Mg+2],InChI=1S/Mg.O2/c;1-2/q+2;-2,SPAGIJMPHSUYSE-UHFFFAOYSA-N,MgO2,56.304,55.9748709,,46.1,2,0,0,2,0,3,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
PERIODIC ACID,010450-60-9,25289,pentahydroxy(oxo)-lambda7-iodane,OI(=O)(O)(O)(O)O,"InChI=1S/H5IO6/c2-1(3,4,5,6)7/h(H5,2,3,4,5,6,7)",TWLXDPFBEPBAQB-UHFFFAOYSA-N,H5IO6,227.94,227.91309,-2.1,118,122,0,5,6,0,7,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
AMMONIUM DICHROMATE,007789-09-5,24600,diazanium;oxido-(oxido(dioxo)chromio)oxy-dioxochromium,[NH4+].[NH4+].[O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-],InChI=1S/2Cr.2H3N.7O/h;;2*1H3;;;;;;;/q;;;;;;;;;2*-1/p+2,JOSWYUNQBRPBDN-UHFFFAOYSA-P,Cr2H8N2O7,252.07,251.91416,,126,194,0,2,7,0,11,,,1,1,1,1,0,1,1,0,0,0,1,0,0,1,1,0,1,1,1,0
ALUMINUM NITRATE NONAHYDRATE,007784-27-2,24567,aluminum;trinitrate;nonahydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.O.O.O.O.[Al+3],InChI=1S/Al.3NO3.9H2O/c;3*2-1(3)4;;;;;;;;;/h;;;;9*1H2/q+3;3*-1;;;;;;;;;,SWCIQHXIXUMHKA-UHFFFAOYSA-N,AlH18N3O18,375.13,375.0400741,,198,18,0,9,18,0,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
POTASSIUM PERSULFATE,007727-21-1,24412,dipotassium;sulfonatooxy sulfate,[O-]S(=O)(=O)OOS(=O)(=O)[O-].[K+].[K+],"InChI=1S/2K.H2O8S2/c;;1-9(2,3)7-8-10(4,5)6/h;;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2",USHAGKDGDHPEEY-UHFFFAOYSA-L,K2O8S2,270.33,269.8308723,,150,206,0,0,8,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
SILVER PERCHLORATE HYDRATE,014242-05-8,15959344,silver;perchlorate;hydrate,O.[O-]Cl(=O)(=O)=O.[Ag+],"InChI=1S/Ag.ClHO4.H2O/c;2-1(3,4)5;/h;(H,2,3,4,5);1H2/q+1;;/p-1",IXFNJWPLHOWEPT-UHFFFAOYSA-M,AgClH2O5,225.33,223.86417,,75.3,95,0,1,5,0,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
GADOLINIUM NITRATE HEXAHYDRATE,019598-90-4,209258,gadolinium(3+);trinitrate;hexahydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.O.[Gd+3],InChI=1S/Gd.3NO3.6H2O/c;3*2-1(3)4;;;;;;/h;;;;6*1H2/q+3;3*-1;;;;;;,XWFVFZQEDMDSET-UHFFFAOYSA-N,GdH12N3O15,451.36,451.95095,,195,18,0,6,15,0,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NEODYMIUM NITRATE HEXAHYDRATE,016454-60-7,204494,neodymium(3+);trinitrate;hexahydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.O.[Nd+3],InChI=1S/3NO3.Nd.6H2O/c3*2-1(3)4;;;;;;;/h;;;;6*1H2/q3*-1;+3;;;;;;,VQVDTKCSDUNYBO-UHFFFAOYSA-N,H12N3NdO15,438.35,435.93457,,195,18,0,6,15,0,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIFLUOROMETHANESULFONIC ANHYDRIDE,000358-23-6,67749,trifluoromethylsulfonyl trifluoromethanesulfonate,C(F)(F)(F)S(=O)(=O)OS(=O)(=O)C(F)(F)F,"InChI=1S/C2F6O5S2/c3-1(4,5)14(9,10)13-15(11,12)2(6,7)8",WJKHJLXJJJATHN-UHFFFAOYSA-N,C2F6O5S2,282.14,281.9091344,1.6,94.3,370,0,0,11,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BISMUTH(III) NITRATE BASIC,010361-46-3,16684898,oxobismuthanyl nitrate,[N+](=O)([O-])O[Bi]=O,InChI=1S/Bi.NO3.O/c;2-1(3)4;/q+1;-1;,OGCYGKRWXWQOAK-UHFFFAOYSA-N,BiNO4,286.985,286.96313,,72.1,62,0,0,4,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GALLIUM(III) NITRATE NONAHYDRATE,135886-70-3,61635,gallium trinitrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Ga+3],InChI=1S/Ga.3NO3/c;3*2-1(3)4/q+3;3*-1,CHPZKNULDCNCBW-UHFFFAOYSA-N,GaN3O9,255.74,254.88903,,189,18,0,0,9,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HOLMIUM(III) NITRATE PENTAHYDRATE,014483-18-2,25021754,holmium(3+);trinitrate;pentahydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.[Ho+3],InChI=1S/Ho.3NO3.5H2O/c;3*2-1(3)4;;;;;/h;;;;5*1H2/q+3;3*-1;;;;;,BJUGWWDCFYEYOA-UHFFFAOYSA-N,H10HoN3O14,441.02,440.946606,,194,18,0,5,14,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MANGANESE(II) NITRATE TETRAHYDRATE,020694-39-7,182616,manganese(2+);dinitrate;tetrahydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.[Mn+2],InChI=1S/Mn.2NO3.4H2O/c;2*2-1(3)4;;;;/h;;;4*1H2/q+2;2*-1;;;;,ALIMWUQMDCBYFM-UHFFFAOYSA-N,H8MnN2O10,251.01,250.955937,,130,18,0,4,10,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRABUTYLAMMONIUM NITRATE,001941-27-1,16027,tetrabutylazanium nitrate,CCCC[N+](CCCC)(CCCC)CCCC.[N+](=O)([O-])[O-],"InChI=1S/C16H36N.NO3/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3)4/h5-16H2,1-4H3;/q+1;-1",QHOKENWFMZXSEU-UHFFFAOYSA-N,C16H36N2O3,304.47,304.272593,,62.9,135,0,0,3,12,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MANGANESE (II) PERCHLORATE HEXAHYDRATE,015364-94-0,203855,manganese(2+);diperchlorate;hexahydrate,O.O.O.O.O.O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Mn+2],"InChI=1S/2ClHO4.Mn.6H2O/c2*2-1(3,4)5;;;;;;;/h2*(H,2,3,4,5);;6*1H2/q;;+2;;;;;;/p-2",AIFGVOMWPFMOCN-UHFFFAOYSA-L,Cl2H12MnO14,361.93,360.898453,,155,95,0,6,14,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GADOLINIUM NITRATE PENTAHYDRATE,052788-53-1,71438167,gadolinium(3+);trinitrate;pentahydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.[Gd+3],InChI=1S/Gd.3NO3.5H2O/c;3*2-1(3)4;;;;;/h;;;;5*1H2/q+3;3*-1;;;;;,BNMYHHKLYAXIKP-UHFFFAOYSA-N,GdH10N3O14,433.34,433.94039,,194,18,0,5,14,0,18,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
LEAD PERCHLORATE,013637-76-8,61655,lead(2+) diperchlorate,[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Pb+2],"InChI=1S/2ClHO4.Pb/c2*2-1(3,4)5;/h2*(H,2,3,4,5);/q;;+2/p-2",XOYUVEPYBYHIFZ-UHFFFAOYSA-L,Cl2O8Pb,406,405.87367,,149,95,0,0,8,0,11,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"PERCHLORIC ACID, COPPER(2+) SALT",013770-18-8,28211,copper diperchlorate,[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Cu+2],"InChI=1S/2ClHO4.Cu/c2*2-1(3,4)5;/h2*(H,2,3,4,5);/q;;+2/p-2",YRNNKGFMTBWUGL-UHFFFAOYSA-L,Cl2CuO8,262.44,260.826619,,149,95,0,0,8,0,11,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"BROMIC ACID, BARIUM SALT",013967-90-3,61706,barium(2+) dibromate,[O-]Br(=O)=O.[O-]Br(=O)=O.[Ba+2],"InChI=1S/Ba.2BrHO3/c;2*2-1(3)4/h;2*(H,2,3,4)/q+2;;/p-2",VEASZGAADGZARC-UHFFFAOYSA-L,BaBr2O6,393.13,393.70936,,114,36,0,0,6,0,9,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
COPPER CHROMITE,012053-18-8,3084101,oxocopper;oxo(oxochromiooxy)chromium,O=[Cr]O[Cr]=O.O=[Cu].O=[Cu],InChI=1S/2Cr.2Cu.5O,JGDFBJMWFLXCLJ-UHFFFAOYSA-N,Cr2Cu2O5,311.08,309.714777,,77.5,36,0,0,5,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
YTTRIUM(III) PERCHLORATE,014017-56-2,3084179,yttrium(3+);triperchlorate;hexahydrate,O.O.O.O.O.O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Y+3],"InChI=1S/3ClHO4.6H2O.Y/c3*2-1(3,4)5;;;;;;;/h3*(H,2,3,4,5);6*1H2;/q;;;;;;;;;+3/p-3",IYECSZYJKQPOOA-UHFFFAOYSA-K,Cl3H12O18Y,495.3,493.81476,,229,95,0,6,18,0,22,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
DYSPROSIUM(III) PERCHLORATE,014692-17-2,13767046,dysprosium(3+) triperchlorate,[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Dy+3],"InChI=1S/3ClHO4.Dy/c3*2-1(3,4)5;/h3*(H,2,3,4,5);/q;;;+3/p-3",QNDHOIIJUAAORW-UHFFFAOYSA-K,Cl3DyO12,460.85,460.774714,,223,95,0,0,12,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POTASSIUM PEROXIDE,017014-71-0,28202,dipotassium;peroxide,[O-][O-].[K+].[K+],InChI=1S/2K.O2/c;;1-2/q2*+1;-2,XXQBEVHPUKOQEO-UHFFFAOYSA-N,K2O2,110.195,109.9172422,,46.1,4,0,0,2,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
CERIUM (CEROUS) NITRATE,010108-73-3,24948,cerium(3+) trinitrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Ce+3],InChI=1S/Ce.3NO3/c;3*2-1(3)4/q+3;3*-1,HSJPMRKMPBAUAU-UHFFFAOYSA-N,CeN3O9,326.13,325.8689,,189,18,0,0,9,0,13,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"NICKELOUS NITRATE, HEXAHYDRATE",013478-00-7,61630,nickel(2+);dinitrate;hexahydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.O.[Ni+2],InChI=1S/2NO3.Ni.6H2O/c2*2-1(3)4;;;;;;;/h;;;6*1H2/q2*-1;+2;;;;;;,AOPCKOPZYFFEDA-UHFFFAOYSA-N,H12N2NiO12,290.8,289.974365,,132,18,0,6,12,0,15,,,1,0,1,1,0,1,1,1,0,0,1,0,0,1,1,0,1,1,1,0
POTASSIUM IODATE,007758-05-6,23665710,potassium iodate,[O-]I(=O)=O.[K+],"InChI=1S/HIO3.K/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1",JLKDVMWYMMLWTI-UHFFFAOYSA-M,IKO3,214.001,213.85292,,57.2,49,0,0,3,0,5,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POTASSIUM HYDROGEN IODATE,013455-24-8,23700942,potassium;iodic acid;iodate,OI(=O)=O.[O-]I(=O)=O.[K+],"InChI=1S/2HIO3.K/c2*2-1(3)4;/h2*(H,2,3,4);/q;;+1/p-1",ACAYDTMSDROWHW-UHFFFAOYSA-M,HI2KO6,389.91,389.74996,,112,96,0,1,6,0,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
UREA HYDROGEN PEROXIDE,000124-43-6,31294,hydrogen peroxide;urea,C(=O)(N)N.OO,"InChI=1S/CH4N2O.H2O2/c2-1(3)4;1-2/h(H4,2,3,4);1-2H",AQLJVWUFPCUVLO-UHFFFAOYSA-N,CH6N2O3,94.07,94.03784206,,110,29,0,4,3,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
BARIUM NITRATE,010022-31-8,24798,barium(2+) dinitrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Ba+2],InChI=1S/Ba.2NO3/c;2*2-1(3)4/q+2;2*-1,IWOUKMZUPDVPGQ-UHFFFAOYSA-N,BaN2O6,261.34,261.880883,,126,18,0,0,6,0,9,,"Decomposes (NIOSH, 2024)",0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"CHROMIC ACID (H2CR2O7), DISODIUM SALT",010588-01-9,25408,disodium;oxido-(oxido(dioxo)chromio)oxy-dioxochromium,[O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-].[Na+].[Na+],InChI=1S/2Cr.2Na.7O/q;;2*+1;;;;;;2*-1,KIEOKOFEPABQKJ-UHFFFAOYSA-N,Cr2Na2O7,261.97,261.82495,,124,194,0,0,7,0,11,,400 °C (decomposes),1,1,1,1,0,1,1,0,0,0,1,0,0,1,1,0,1,1,1,0
MAGNESIUM NITRATE HEXAHYDRATE,013446-18-9,202877,magnesium;dinitrate;hexahydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.O.[Mg+2],InChI=1S/Mg.2NO3.6H2O/c;2*2-1(3)4;;;;;;/h;;;6*1H2/q+2;2*-1;;;;;;,MFUVDXOKPBAHMC-UHFFFAOYSA-N,H12MgN2O12,256.41,256.0240655,,132,18,0,6,12,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ARSENIC PENTAFLUORIDE,007784-36-3,82223,pentafluoro-lambda5-arsane,F[As](F)(F)(F)F,"InChI=1S/AsF5/c2-1(3,4,5)6",YBGKQGSCGDNZIB-UHFFFAOYSA-N,AsF5,169.91361,169.91361,,0,37,0,0,5,0,6,,,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
DEUTERIUM CHLORIDE (ANHYDROUS GAS),007698-05-7,522634,(2H)chlorane,[2H]Cl,InChI=1S/ClH/h1H/i/hD,VEXZGXHMUGYJMC-DYCDLGHISA-N,ClH,37.47,36.9829545,0.8,0,0,0,1,0,0,1,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
METHYLAMINE-D3,005581-55-5,2723975,trideuteriomethanamine,[2H]C([2H])([2H])N,"InChI=1S/CH5N/c1-2/h2H2,1H3/i1D3",BAVYZALUXZFZLV-FIBGUPNXSA-N,CH5N,34.076,34.0610294,-0.7,26,2,0,1,1,0,2,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"ACETONITRILE, TRIFLUORO-",000353-85-5,67710,"2,2,2-trifluoroacetonitrile",C(#N)C(F)(F)F,"InChI=1S/C2F3N/c3-2(4,5)1-6",SFFUEHODRAXXIA-UHFFFAOYSA-N,C2F3N,95.02,94.99828349,1.1,23.8,82,0,0,4,0,6,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BROMOFLUOROMETHANE (CH2 F BR),000373-52-4,61108,bromo(fluoro)methane,C(F)Br,InChI=1S/CH2BrF/c2-1-3/h1H2,LHMHCLYDBQOYTO-UHFFFAOYSA-N,CH2BrF,112.93,111.93239,1.4,0,4,0,0,1,0,3,,,1,1,1,1,0,0,0,1,0,0,1,0,0,0,0,0,1,0,1,1
XENON,007440-63-3,23991,xenon,[Xe],InChI=1S/Xe,FHNFHKCVQCLJFQ-UHFFFAOYSA-N,Xe,131.29,131.9041551,,0,0,0,0,0,0,1,,-108.1 °C,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PERFLUORO-N-BUTANE,000355-25-9,9638,"1,1,1,2,2,3,3,4,4,4-decafluorobutane",C(C(C(F)(F)F)(F)F)(C(F)(F)F)(F)F,"InChI=1S/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14",KAVGMUDTWQVPDF-UHFFFAOYSA-N,C4F10,238.03,237.9840316,3.8,0,181,0,0,10,1,14,,-2.1 °C,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,3,3-TRIFLUOROPROPENE",000677-21-4,12672,"3,3,3-trifluoroprop-1-ene",C=CC(F)(F)F,"InChI=1S/C3H3F3/c1-2-3(4,5)6/h2H,1H2",FDMFUZHCIRHGRG-UHFFFAOYSA-N,C3H3F3,96.05,96.01868458,2,0,51,0,0,3,0,6,,-17 °C,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"NEON, ISOTOPE OF MASS 20",013981-34-5,10197602,neon-20,[20Ne],InChI=1S/Ne/i1+0,GKAOGPIIYCISHV-IGMARMGPSA-N,Ne,19.99244018,19.99244018,,0,0,0,0,0,0,1,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-CHLORO-3,3,3-TRIFLUORO-1-PROPENE",102687-65-0,5709018,"(E)-1-chloro-3,3,3-trifluoroprop-1-ene",C(=C/Cl)\C(F)(F)F,"InChI=1S/C3H2ClF3/c4-2-1-3(5,6)7/h1-2H/b2-1+",LDTMPQQAWUMPKS-OWOJBTEDSA-N,C3H2ClF3,130.49,129.9797122,2.2,0,72,0,0,3,0,7,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
LANTHANUM CHLORIDE,010099-58-8,64735,trichlorolanthanum,Cl[La](Cl)Cl,InChI=1S/3ClH.La/h3*1H;/q;;;+3/p-3,ICAKDTKJOYSXGC-UHFFFAOYSA-K,Cl3La,245.26,243.812921,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,1,1,0,0,0,1,0,0,0,0,1,1,0,1
OCTANOYL CHLORIDE,000111-64-8,8124,octanoyl chloride,CCCCCCCC(=O)Cl,"InChI=1S/C8H15ClO/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3",REEZZSHJLXOIHL-UHFFFAOYSA-N,C8H15ClO,162.66,162.0811428,4,17.1,91,0,0,1,6,10,"177 °F (NTP, 1992)","385 °F at 760 mmHg (NTP, 1992)",0,0,1,0,0,0,0,1,0,0,0,1,0,0,0,0,1,1,0,0
MYRISTOYL CHLORIDE,000112-64-1,66986,tetradecanoyl chloride,CCCCCCCCCCCCCC(=O)Cl,"InChI=1S/C14H27ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3",LPWCRLGKYWVLHQ-UHFFFAOYSA-N,C14H27ClO,246.81,246.1750432,6.3,17.1,157,0,0,1,12,16,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,1
RUTHENIUM(III) CHLORIDE,010049-08-8,61850,trichlororuthenium,Cl[Ru](Cl)Cl,InChI=1S/3ClH.Ru/h3*1H;/q;;;+3/p-3,YBCAZPLXEGKKFM-UHFFFAOYSA-K,Cl3Ru,207.4,206.810898,,0,8,0,0,0,0,4,,,0,0,0,1,0,0,1,1,0,0,0,1,0,0,0,0,1,0,0,0
TETRAKIS(HYDROXYMETHYL)PHOSPHONIUM CHLORIDE,000124-64-1,31298,tetrakis(hydroxymethyl)phosphanium chloride,C(O)[P+](CO)(CO)CO.[Cl-],"InChI=1S/C4H12O4P.ClH/c5-1-9(2-6,3-7)4-8;/h5-8H,1-4H2;1H/q+1;/p-1",AKXUUJCMWZFYMV-UHFFFAOYSA-M,C4H12ClO4P,190.56,190.0161736,,80.9,55,0,4,5,4,10,"greater than 200 °F (NTP, 1992)","244 °F at 760 mmHg (NTP, 1992)",1,1,0,1,0,0,1,1,0,0,0,1,0,0,1,0,1,1,0,0
"SILANE, DIBUTYLDICHLORO-",003449-28-3,76989,dibutyl(dichloro)silane,CCCC[Si](CCCC)(Cl)Cl,"InChI=1S/C8H18Cl2Si/c1-3-5-7-11(9,10)8-6-4-2/h3-8H2,1-2H3",NJKDOKBDBHYMAH-UHFFFAOYSA-N,C8H18Cl2Si,213.22,212.0554825,,0,84,0,0,0,6,11,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,1
"SULFURIC ACID, PALLADIUM(2+) SALT (1:1)",013566-03-5,166846,palladium(2+) sulfate,[O-]S(=O)(=O)[O-].[Pd+2],"InChI=1S/H2O4S.Pd/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+2/p-2",RFLFDJSIZCCYIP-UHFFFAOYSA-L,O4PdS,202.49,201.85521,,88.6,62,0,0,4,0,6,,,1,0,0,1,0,0,1,1,0,0,0,1,0,0,0,0,1,0,0,0
"1-PROPANESULFONIC ACID, 3-HYDROXY-",015909-83-8,85181,3-hydroxypropane-1-sulfonic acid,C(CO)CS(=O)(=O)O,"InChI=1S/C3H8O4S/c4-2-1-3-8(5,6)7/h4H,1-3H2,(H,5,6,7)",WQPMYSHJKXVTME-UHFFFAOYSA-N,C3H8O4S,140.16,140.0143299,-1.2,83,130,0,2,4,3,8,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"PALLADATE(2-), TETRACHLORO-, DIHYDROGEN, (SP-4-1)-",016970-55-1,161205,hydron;palladium(2+);tetrachloride,[H+].[H+].[Cl-].[Cl-].[Cl-].[Cl-].[Pd+2],InChI=1S/4ClH.Pd/h4*1H;/q;;;;+2/p-2,RPYSFYBAYJBKCR-UHFFFAOYSA-L,Cl4H2Pd,250.2,249.79159,,0,0,0,2,4,0,5,,,1,0,0,1,0,0,1,1,0,0,0,1,0,0,0,0,1,1,0,0
"TITANATE(2-), HEXAFLUORO-, DIHYDROGEN, (OC-6-11)-",017439-11-1,161221,hydron;titanium(4+);hexafluoride,[H+].[H+].[F-].[F-].[F-].[F-].[F-].[F-].[Ti+4],InChI=1S/6FH.Ti/h6*1H;/q;;;;;;+4/p-4,PFSXARRIPPWGNC-UHFFFAOYSA-J,F6H2Ti,163.873,163.9540097,,0,0,0,2,6,0,7,,,0,1,1,1,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"2-HEXENOIC ACID, 2-METHYL-",028897-58-7,5282650,(E)-2-methylhex-2-enoic acid,CCC/C=C(\C)/C(=O)O,"InChI=1S/C7H12O2/c1-3-4-5-6(2)7(8)9/h5H,3-4H2,1-2H3,(H,8,9)/b6-5+",AKOVMBAFZSPEQU-AATRIKPKSA-N,C7H12O2,128.17,128.0837296,2,37.3,125,0,1,2,3,9,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
RHODIUM TRICHLORIDE,010049-07-7,24872,trichlororhodium,Cl[Rh](Cl)Cl,InChI=1S/3ClH.Rh/h3*1H;/q;;;+3/p-3,SONJTKJMTWTJCT-UHFFFAOYSA-K,Cl3Rh,209.26,207.81205,,0,8,0,0,0,0,4,,,1,0,0,1,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0
ETHANOLAMINE HYDROCHLORIDE,002002-24-6,74819,2-aminoethanol;hydrochloride,C(CO)N.Cl,"InChI=1S/C2H7NO.ClH/c3-1-2-4;/h4H,1-3H2;1H",PMUNIMVZCACZBB-UHFFFAOYSA-N,C2H8ClNO,97.54,97.0294416,,46.3,10,0,3,2,1,5,,,0,1,1,1,0,0,1,1,0,0,0,1,0,0,0,0,1,0,0,1
TIN BIS(TETRAFLUOROBORATE),013814-97-6,159698,tin(2+) ditetrafluoroborate,[B-](F)(F)(F)F.[B-](F)(F)(F)F.[Sn+2],"InChI=1S/2BF4.Sn/c2*2-1(3,4)5;/q2*-1;+2",JPZSNSDMGTYJIW-UHFFFAOYSA-N,B2F8Sn,292.32,293.908038,,0,19,0,0,10,0,11,,,0,0,0,1,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0
"RUTHENATE(3-), DIAQUAOCTACHLORO-.MU.-NITRIDODI-, TRIAMMONIUM",027316-90-1,91886364,triazanium;azanide;bis(tetrachlororuthenium(1-));dihydrate,[NH4+].[NH4+].[NH4+].[NH2-].O.O.Cl[Ru-](Cl)(Cl)Cl.Cl[Ru-](Cl)(Cl)Cl,InChI=1S/8ClH.3H3N.H2N.2H2O.2Ru/h8*1H;3*1H3;3*1H2;;/q;;;;;;;;;;;-1;;;2*+3/p-5,GWQXJPLEIJUXGZ-UHFFFAOYSA-I,Cl8H18N4O2Ru2,591.9,595.69766,,6,55,0,6,5,0,16,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"PHOSPHONIC ACID, [[(PHOSPHONOMETHYL)IMINO]BIS[2,1-ETHANEDIYLNITRILOBIS(METHYLE",070714-66-8,73556629,azanium [2-[2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methyl-hydroxyphosphinate,C(CN(CP(=O)(O)O)CP(=O)(O)O)N(CCN(CP(=O)(O)O)CP(=O)(O)[O-])CP(=O)(O)O.[NH4+],"InChI=1S/C9H28N3O15P5.H3N/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27;/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27);1H3",WVGVLUWJNYWIEC-UHFFFAOYSA-N,C9H31N4O15P5,590.23,590.0474013,,301,798,0,10,18,16,33,,,0,0,0,0,0,0,1,1,0,0,0,1,0,0,0,0,1,0,0,0
METHYL GLYCINE DIACETIC ACID TRISODIUM SALT,164462-16-2,11021984,trisodium;2-[bis(carboxylatomethyl)amino]propanoate,CC(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+],"InChI=1S/C7H11NO6.3Na/c1-4(7(13)14)8(2-5(9)10)3-6(11)12;;;/h4H,2-3H2,1H3,(H,9,10)(H,11,12)(H,13,14);;;/q;3*+1/p-3",OHOTVSOGTVKXEL-UHFFFAOYSA-K,C7H8NNa3O6,271.11,271.0044698,,124,218,0,0,7,3,17,,,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0
CHLOROHYDRIN,000096-24-2,7290,"3-chloropropane-1,2-diol",C(C(CCl)O)O,"InChI=1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2",SSZWWUDQMAHNAQ-UHFFFAOYSA-N,C3H7ClO2,110.54,110.0134572,-0.5,40.5,32,0,2,2,2,6,"138 °F (NTP, 1992)","415 °F at 760 mmHg (decomposes) (NTP, 1992)",0,1,1,1,0,1,0,1,0,0,0,1,0,1,0,0,1,0,1,1
"ACETIC ACID, MERCAPTO-, MONOPOTASSIUM SALT",034452-51-2,23688957,potassium 2-sulfanylacetate,C(C(=O)[O-])S.[K+],"InChI=1S/C2H4O2S.K/c3-2(4)1-5;/h5H,1H2,(H,3,4);/q;+1/p-1",HYTYHTSMCRDHIM-UHFFFAOYSA-M,C2H3KO2S,130.21,129.949082,,41.1,46,0,1,3,1,6,,,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0
SILVER CYANIDE,000506-64-9,10475,silver cyanide,[C-]#N.[Ag+],InChI=1S/CN.Ag/c1-2;/q-1;+1,LFAGQMCIGQNPJG-UHFFFAOYSA-N,CAgN,133.886,132.90817,,23.8,12,0,0,2,0,3,,,1,1,1,1,0,0,1,1,0,0,0,1,0,0,0,0,1,0,0,0
HYDROXYLAMINE HYDROCHLORIDE,005470-11-1,443297,hydroxylamine;hydrochloride,NO.Cl,"InChI=1S/ClH.H3NO/c;1-2/h1H;2H,1H2",WTDHULULXKLSOZ-UHFFFAOYSA-N,ClH4NO,69.49,68.9981414,,46.3,2,0,3,2,0,3,,"Decomposes (NTP, 1992)",1,1,0,1,0,1,0,1,0,0,0,1,0,0,0,0,1,1,1,0
BARIUM HYDROXIDE,017194-00-2,6093286,barium(2+) dihydroxide,[OH-].[OH-].[Ba+2],InChI=1S/Ba.2H2O/h;2*1H2/q+2;;/p-2,RQPZNWPYLFFXCP-UHFFFAOYSA-L,BaH2O2,171.34,171.910726,,2,0,0,2,2,0,3,,,0,0,1,1,0,0,1,1,0,0,0,1,0,0,0,0,1,0,0,0
DODECYLAMINE,000124-22-1,13583,dodecan-1-amine,CCCCCCCCCCCCN,"InChI=1S/C12H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-13H2,1H3",JRBPAEWTRLWTQC-UHFFFAOYSA-N,C12H27N,185.35,185.2143499,5.3,26,81,0,1,1,10,13,352 °F (COC),259 °C,1,0,0,1,1,0,1,1,0,0,0,1,0,0,0,0,1,0,1,1
1-HYDROXYETHYLIDENEDIPHOSPHONIC ACID,002809-21-4,3305,(1-hydroxy-1-phosphonoethyl)phosphonic acid,CC(O)(P(=O)(O)O)P(=O)(O)O,"InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)",DBVJJBKOTRCVKF-UHFFFAOYSA-N,C2H8O7P2,206.03,205.9745266,-3.7,135,211,0,5,7,2,11,,,0,0,0,1,0,0,1,1,0,0,0,1,0,0,0,0,1,0,0,0
TETRAETHYLAMMONIUM HYDROXIDE,000077-98-5,6509,tetraethylazanium hydroxide,CC[N+](CC)(CC)CC.[OH-],"InChI=1S/C8H20N.H2O/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H2/q+1;/p-1",LRGJRHZIDJQFCL-UHFFFAOYSA-M,C8H21NO,147.26,147.1623143,,1,47,0,1,1,4,10,,,0,1,0,1,0,0,1,1,0,0,0,1,0,0,0,0,1,0,1,1
VANADYL SULFATE,027774-13-6,34007,oxovanadium(2+) sulfate,[O-]S(=O)(=O)[O-].O=[V+2],"InChI=1S/H2O4S.O.V/c1-5(2,3)4;;/h(H2,1,2,3,4);;/q;;+2/p-2",UUUGYDOQQLOJQA-UHFFFAOYSA-L,O5SV,163.01,162.890602,,106,64,0,0,5,0,7,,,0,0,0,1,0,0,1,1,0,0,0,1,0,1,0,0,1,0,1,1
SULFOTEP,003689-24-5,19395,diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-lambda5-phosphane,CCOP(=S)(OCC)OP(=S)(OCC)OCC,"InChI=1S/C8H20O5P2S2/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4/h5-8H2,1-4H3",XIUROWKZWPIAIB-UHFFFAOYSA-N,C8H20O5P2S2,322.3,322.0227401,3.9,110,252,0,0,7,10,17,"Not combustible (EPA, 1998)","277 to 282 °F at 2 mmHg (EPA, 1998)",1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
TRIMETHYLTIN CHLORIDE,001066-45-1,14016,chloro(trimethyl)stannane,C[Sn](C)(C)Cl,InChI=1S/3CH3.ClH.Sn/h3*1H3;1H;/q;;;;+1/p-1,KWTSZCJMWHGPOS-UHFFFAOYSA-M,C3H9ClSn,199.27,199.941481,,0,28,0,0,0,0,5,,154-156 °C,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
TRIETHYLAMINE TRIHYDROFLUORIDE,073602-61-6,175505,"N,N-diethylethanamine;trihydrofluoride",CCN(CC)CC.F.F.F,"InChI=1S/C6H15N.3FH/c1-4-7(5-2)6-3;;;/h4-6H2,1-3H3;3*1H",IKGLACJFEHSFNN-UHFFFAOYSA-N,C6H18F3N,161.21,161.1391341,,3.2,25,0,3,4,3,10,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
DI-N-HEXYLAMINE,000143-16-8,8920,N-hexylhexan-1-amine,CCCCCCNCCCCCC,"InChI=1S/C12H27N/c1-3-5-7-9-11-13-12-10-8-6-4-2/h13H,3-12H2,1-2H3",PXSXRABJBXYMFT-UHFFFAOYSA-N,C12H27N,185.35,185.2143499,4.5,12,71,0,1,1,10,13,"203 °F (NTP, 1992)","451 to 469 °F at 760 mmHg (NTP, 1992)",1,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM TELLURITE,010102-20-2,24935,disodium;tellurite,[O-][Te](=O)[O-].[Na+].[Na+],"InChI=1S/2Na.H2O3Te/c;;1-4(2)3/h;;(H2,1,2,3)/q2*+1;/p-2",VOADVZVYWFSHSM-UHFFFAOYSA-L,Na2O3Te,221.6,223.8705052,,63.2,18,0,0,3,0,6,,,0,1,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,1,0,0
SILVER TRIFLUOROACETATE,002966-50-9,76299,"silver 2,2,2-trifluoroacetate",C(=O)(C(F)(F)F)[O-].[Ag+],"InChI=1S/C2HF3O2.Ag/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1",KZJPVUDYAMEDRM-UHFFFAOYSA-M,C2AgF3O2,220.88,219.89013,,40.1,77,0,0,5,0,8,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYLHYDRAZINE SULFATE,000302-15-8,165286,methylhydrazine;sulfuric acid,CNN.OS(=O)(=O)O,"InChI=1S/CH6N2.H2O4S/c1-3-2;1-5(2,3)4/h3H,2H2,1H3;(H2,1,2,3,4)",KJDJPXUIZYHXEZ-UHFFFAOYSA-N,CH8N2O4S,144.15,144.0204779,,121,84,0,4,6,0,8,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-FLUORODECANE,000334-56-5,9541,1-fluorodecane,CCCCCCCCCCF,"InChI=1S/C10H21F/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3",LHLRHWJTTUCDQA-UHFFFAOYSA-N,C10H21F,160.27,160.1627288,5.6,0,61,0,0,1,8,11,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"METHYLPHOSPHONOTHIOIC ACID O,S-DIETHYL ESTER",002511-10-6,520177,1-[ethylsulfanyl(methyl)phosphoryl]oxyethane,CCOP(=O)(C)SCC,"InChI=1S/C5H13O2PS/c1-4-7-8(3,6)9-5-2/h4-5H2,1-3H3",AIMOGGQLCCAPQJ-UHFFFAOYSA-N,C5H13O2PS,168.2,168.0373878,0.8,51.6,116,0,0,3,4,9,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
FLUOROACETAMIDE,000640-19-7,12542,2-fluoroacetamide,C(C(=O)N)F,"InChI=1S/C2H4FNO/c3-1-2(4)5/h1H2,(H2,4,5)",FVTWJXMFYOXOKK-UHFFFAOYSA-N,C2H4FNO,77.06,77.02769191,-1,43.1,44,0,1,2,1,5,,"Sublimes on heating (EPA, 1998)",0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Plumbane, chlorotriethyl-",001067-14-7,14019,chloro(triethyl)plumbane,CC[Pb](CC)(CC)Cl,"InChI=1S/3C2H5.ClH.Pb/c3*1-2;;/h3*1H2,2H3;1H;/q;;;;+1/p-1",UQWYUMLFPUILRT-UHFFFAOYSA-M,C6H15ClPb,330,330.06288,,0,51,0,0,0,3,8,,,1,1,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
ACETONE THIOSEMICARBAZIDE,001752-30-3,2770166,(propan-2-ylideneamino)thiourea,CC(=NNC(=S)N)C,"InChI=1S/C4H9N3S/c1-3(2)6-7-4(5)8/h1-2H3,(H3,5,7,8)",FQUDPIIGGVBZEQ-UHFFFAOYSA-N,C4H9N3S,131.2,131.0517185,-0.2,82.5,114,0,2,2,1,8,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PROTHOATE,002275-18-5,16774,2-diethoxyphosphinothioylsulfanyl-N-propan-2-ylacetamide,CCOP(=S)(OCC)SCC(=O)NC(C)C,"InChI=1S/C9H20NO3PS2/c1-5-12-14(15,13-6-2)16-7-9(11)10-8(3)4/h8H,5-7H2,1-4H3,(H,10,11)",QTXHFDHVLBDJIO-UHFFFAOYSA-N,C9H20NO3PS2,285.4,285.0622228,2.5,105,251,0,1,5,8,16,,,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
BARIUM NITRIDE (BA3N2),012047-79-9,15251597,azanidylidenebarium;barium(2+),[N-]=[Ba].[N-]=[Ba].[Ba+2],InChI=1S/3Ba.2N/q;;+2;2*-1,LHQHQVFOMOBERP-UHFFFAOYSA-N,Ba3N2,440,441.721889,,2,6,0,0,2,0,5,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
MERCURY SELENIDE (HGSE),020601-83-6,88609,selanylidenemercury,[Se]=[Hg],InChI=1S/Hg.Se,YQMLDSWXEQOSPP-UHFFFAOYSA-N,HgSe,279.56,281.88717,,0,2,0,0,0,0,2,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"Platinum, diammine(hydroxyacetato(2-)-O(sup 1),O(sup 2))-, (SP-4-3)-",095734-82-0,9796440,azane;2-oxidoacetate;platinum(2+),C(C(=O)[O-])[O-].N.N.[Pt+2],"InChI=1S/C2H3O3.2H3N.Pt/c3-1-2(4)5;;;/h1H2,(H,4,5);2*1H3;/q-1;;;+2/p-1",GYAVMUDJCHAASE-UHFFFAOYSA-M,C2H8N2O3Pt,303.18,303.018286,,65.2,34,0,2,5,0,8,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,1,0,1,1,0,1
POTASSIUM DICYANOAURATE(I),013967-50-5,159710,potassium;gold(1+);dicyanide,[C-]#N.[C-]#N.[K+].[Au+],InChI=1S/2CN.Au.K/c2*1-2;;/q2*-1;2*+1,XTFKWYDMKGAZKK-UHFFFAOYSA-N,C2AuKN2,288.1,287.936425,,47.6,10,0,0,4,0,6,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
ETHYL BROMOACETATE,000105-36-2,7748,ethyl 2-bromoacetate,CCOC(=O)CBr,"InChI=1S/C4H7BrO2/c1-2-7-4(6)3-5/h2-3H2,1H3",PQJJJMRNHATNKG-UHFFFAOYSA-N,C4H7BrO2,167,165.96294,1.3,26.3,62,0,0,2,3,7,48 °C,168.5 °C,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
METHOMYL,016752-77-5,4109,methyl N-(methylcarbamoyloxy)ethanimidothioate,CC(=NOC(=O)NC)SC,"InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)",UHXUZOCRWCRNSJ-UHFFFAOYSA-N,C5H10N2O2S,162.21,162.0462987,0.6,76,147,0,1,4,3,10,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
TETRAMETHYLAMMONIUM BROMIDE,000064-20-0,66137,tetramethylazanium bromide,C[N+](C)(C)C.[Br-],"InChI=1S/C4H12N.BrH/c1-5(2,3)4;/h1-4H3;1H/q+1;/p-1",DDFYFBUWEBINLX-UHFFFAOYSA-M,C4H12BrN,154.05,153.01531,,0,19,0,0,1,0,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CADMIUM SULFOSELENIDE,012626-36-7,159451,bis(cadmium(2+));selenium(2-);sulfide,[S-2].[Se-2].[Cd+2].[Cd+2],InChI=1S/2Cd.S.Se/q2*+2;2*-2,JLATXDOZXBEBJX-UHFFFAOYSA-N,Cd2SSe,335.87,337.69472,,1,0,0,0,2,0,4,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
POTASSIUM BIFLUORIDE,007789-29-9,11829350,potassium;fluoride;hydrofluoride,F.[F-].[K+],InChI=1S/2FH.K/h2*1H;/q;;+1/p-1,VBKNTGMWIPUCRF-UHFFFAOYSA-M,F2HK,78.1031,77.96833784,,0,2,0,1,2,0,3,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
LEAD(II) SELENIDE,012069-00-0,61550,selanylidenelead,[Se]=[Pb],InChI=1S/Pb.Se,GGYFMLJDMAMTAB-UHFFFAOYSA-N,PbSe,286,287.89317,,0,2,0,0,0,0,2,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"1,12-DIBROMODODECANE",003344-70-5,18766,"1,12-dibromododecane",C(CCCCCCBr)CCCCCBr,InChI=1S/C12H24Br2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-12H2,ZJJATABWMGVVRZ-UHFFFAOYSA-N,C12H24Br2,328.13,328.02243,6.9,0,82,0,0,0,11,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BROMOACETONITRILE,000590-17-0,11534,2-bromoacetonitrile,C(C#N)Br,InChI=1S/C2H2BrN/c3-1-2-4/h1H2,REXUYBKPWIPONM-UHFFFAOYSA-N,C2H2BrN,119.95,118.93706,0.8,23.8,41,0,0,1,0,4,"greater than 200 °F (NTP, 1992)","302 to 304 °F at 752 mmHg (NTP, 1992)",0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
IODOACETAMIDE,000144-48-9,3727,2-iodoacetamide,C(C(=O)N)I,"InChI=1S/C2H4INO/c3-1-2(4)5/h1H2,(H2,4,5)",PGLTVOMIXTUURA-UHFFFAOYSA-N,C2H4INO,184.96,184.93376,-0.2,43.1,44,0,1,1,1,5,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,1,0,0,1,0,0
BIS(2-CHLOROETHOXY)METHANE,000111-91-1,8147,1-chloro-2-(2-chloroethoxymethoxy)ethane,C(CCl)OCOCCCl,InChI=1S/C5H10Cl2O2/c6-1-3-8-5-9-4-2-7/h1-5H2,NLXGURFLBLRZRO-UHFFFAOYSA-N,C5H10Cl2O2,173.03,172.0057849,1.2,18.5,46,0,0,2,6,9,"230 °F (NTP, 1992)","424.6 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1
THIOLACTIC ACID,000079-42-5,62326,2-sulfanylpropanoic acid,CC(C(=O)O)S,"InChI=1S/C3H6O2S/c1-2(6)3(4)5/h2,6H,1H3,(H,4,5)",PMNLUUOXGOOLSP-UHFFFAOYSA-N,C3H6O2S,106.15,106.0088506,0.5,38.3,61,0,2,3,1,6,,117.00 °C. @ 16.00 mm Hg,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"N,N-DIMETHYLOCTYLAMINE",007378-99-6,16224,"N,N-dimethyloctan-1-amine",CCCCCCCCN(C)C,"InChI=1S/C10H23N/c1-4-5-6-7-8-9-10-11(2)3/h4-10H2,1-3H3",UQKAOOAFEFCDGT-UHFFFAOYSA-N,C10H23N,157.3,157.1830497,4.2,3.2,69,0,0,1,7,11,,,1,0,1,1,0,0,1,1,0,0,0,0,0,1,0,0,1,1,0,1
BIS(TRIBUTYLTIN) OXIDE,000056-35-9,16682746,tributyl(tributylstannyloxy)stannane,CCCC[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)CCCC,"InChI=1S/6C4H9.O.2Sn/c6*1-3-4-2;;;/h6*1,3-4H2,2H3;;;",APQHKWPGGHMYKJ-UHFFFAOYSA-N,C24H54OSn2,596.1,596.22128,,9.2,246,0,0,1,20,27,"greater than 200 °F (NTP, 1992)","356 °F at 2 mmHg (NTP, 1992)",1,1,1,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,1,0
"2-BUTYNE-1,4-DIOL",000110-65-6,8066,"but-2-yne-1,4-diol",C(C#CCO)O,"InChI=1S/C4H6O2/c5-3-1-2-4-6/h5-6H,3-4H2",DLDJFQGPPSQZKI-UHFFFAOYSA-N,C4H6O2,86.09,86.03677943,-1.1,40.5,66,0,2,2,0,6,"263 °F (USCG, 1999)","460 °F at 760 mmHg (USCG, 1999)",0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,1,0
"1,4-DIBROMOBUTANE",000110-52-1,8056,"1,4-dibromobutane",C(CCBr)CBr,InChI=1S/C4H8Br2/c5-3-1-2-4-6/h1-4H2,ULTHEAFYOOPTTB-UHFFFAOYSA-N,C4H8Br2,215.91,215.89723,2.5,0,17,0,0,0,3,6,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-BIS(TRIMETHOXYSILYL)ETHANE",018406-41-2,87627,trimethoxy(2-trimethoxysilylethyl)silane,CO[Si](CC[Si](OC)(OC)OC)(OC)OC,"InChI=1S/C8H22O6Si2/c1-9-15(10-2,11-3)7-8-16(12-4,13-5)14-6/h7-8H2,1-6H3",JCGDCINCKDQXDX-UHFFFAOYSA-N,C8H22O6Si2,270.43,270.0954915,,55.4,147,0,0,6,9,16,,,0,0,1,1,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0
COPPER(I) SELENIDE,020405-64-5,6914519,,[Cu].[Cu].[Se],InChI=1S/2Cu.Se,KTLOQXXVQYUCJU-UHFFFAOYSA-N,Cu2Se,206.06,205.77572,,0,2,0,0,0,0,3,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
BERYLLIUM ACETYLACETONATE,010210-64-7,5486772,beryllium bis((Z)-4-oxopent-2-en-2-olate),[Be+2].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-],"InChI=1S/2C5H8O2.Be/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2/b2*4-3-;",BBKXDHBLPBKCFR-FDGPNNRMSA-L,C10H14BeO4,207.23,207.101392,,80.3,90,0,0,4,2,15,,,0,0,1,1,0,1,1,1,0,0,0,0,0,0,0,0,1,1,1,1
"1,2-DIBROMO-1,1-DICHLOROETHANE",000075-81-0,6401,"1,2-dibromo-1,1-dichloroethane",C(C(Cl)(Cl)Br)Br,"InChI=1S/C2H2Br2Cl2/c3-1-2(4,5)6/h1H2",FIYBYNHDEOSJPL-UHFFFAOYSA-N,C2H2Br2Cl2,256.75,255.78798,3,0,44,0,0,0,1,6,,195 °C,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3-DIMERCAPTO-1-PROPANOL",000059-52-9,3080,"2,3-bis(sulfanyl)propan-1-ol",C(C(CS)S)O,"InChI=1S/C3H8OS2/c4-1-3(6)2-5/h3-6H,1-2H2",WQABCVAJNWAXTE-UHFFFAOYSA-N,C3H8OS2,124.23,124.0016572,0.2,22.2,32,0,3,3,2,6,"greater than 235 °F (NTP, 1992)","248 °F at 15 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
ACETYLENEDICARBOXYLIC ACID,000142-45-0,371,but-2-ynedioic acid,C(#CC(=O)O)C(=O)O,"InChI=1S/C4H2O4/c5-3(6)1-2-4(7)8/h(H,5,6)(H,7,8)",YTIVTFGABIZHHX-UHFFFAOYSA-N,C4H2O4,114.06,113.9953085,0.1,74.6,161,0,2,4,0,8,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAMETHYLAMMONIUM ACETATE,010581-12-1,82741,tetramethylazanium acetate,CC(=O)[O-].C[N+](C)(C)C,"InChI=1S/C4H12N.C2H4O2/c1-5(2,3)4;1-2(3)4/h1-4H3;1H3,(H,3,4)/q+1;/p-1",MRYQZMHVZZSQRT-UHFFFAOYSA-M,C6H15NO2,133.19,133.1102787,,40.1,44,0,0,2,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HEXAFLUOROACETONE TRIHYDRATE,034202-69-2,36719,"1,1,1,3,3,3-hexafluoropropan-2-one;trihydrate",C(=O)(C(F)(F)F)C(F)(F)F.O.O.O,"InChI=1S/C3F6O.3H2O/c4-2(5,6)1(10)3(7,8)9;;;/h;3*1H2",SNZAEUWCEHDROX-UHFFFAOYSA-N,C3H6F6O4,220.07,220.0170276,,20.1,124,0,3,10,0,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
PERFLUORO-1-OCTANESULFONIC ACID TETRAETHYLAMMONIUM SALT,056773-42-3,92531,"1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;tetraethylazanium",CC[N+](CC)(CC)CC.C(C(C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C8HF17O3S.C8H20N/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;1-5-9(6-2,7-3)8-4/h(H,26,27,28);5-8H2,1-4H3/q;+1/p-1",JHDXAQHGAJXNBY-UHFFFAOYSA-M,C16H20F17NO3S,629.4,629.0892434,,65.6,761,0,0,20,10,38,,,0,0,1,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,0
YTTERBIUM (III) FLUORIDE,013760-80-0,83711,trifluoroytterbium,F[Yb](F)F,InChI=1S/3FH.Yb/h3*1H;/q;;;+3/p-3,XASAPYQVQBKMIN-UHFFFAOYSA-K,F3Yb,230.04,230.934077,,0,8,0,0,3,0,4,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BIS(ACETONITRILE)DICHLOROPALLADIUM(II),014592-56-4,6093782,bis(acetonitrile);dichloropalladium,CC#N.CC#N.Cl[Pd]Cl,InChI=1S/2C2H3N.2ClH.Pd/c2*1-2-3;;;/h2*1H3;2*1H;/q;;;;+2/p-2,RBYGDVHOECIAFC-UHFFFAOYSA-L,C4H6Cl2N2Pd,259.43,257.89428,,47.6,32,0,0,2,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(ETHOXYMETHYLENE)MALONONITRILE,000123-06-8,67152,2-(ethoxymethylidene)propanedinitrile,CCOC=C(C#N)C#N,"InChI=1S/C6H6N2O/c1-2-9-5-6(3-7)4-8/h5H,2H2,1H3",OEICGMPRFOJHKO-UHFFFAOYSA-N,C6H6N2O,122.12,122.0480128,0.5,56.8,182,0,0,3,2,9,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
FUMARONITRILE,000764-42-1,637930,(E)-but-2-enedinitrile,C(=C/C#N)\C#N,InChI=1S/C4H2N2/c5-3-1-2-4-6/h1-2H/b2-1+,KYPOHTVBFVELTG-OWOJBTEDSA-N,C4H2N2,78.07,78.02179807,-0.2,47.6,119,0,0,2,0,6,,"367 °F at 760 mmHg (NTP, 1992)",0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DIBUTYLDIMETHOXYSTANNANE,001067-55-6,16683107,dibutyl(dimethoxy)stannane,CCCC[Sn](CCCC)(OC)OC,"InChI=1S/2C4H9.2CH3O.Sn/c2*1-3-4-2;2*1-2;/h2*1,3-4H2,2H3;2*1H3;/q;;2*-1;+2",ZXDVQYBUEVYUCG-UHFFFAOYSA-N,C10H24O2Sn,295.01,296.079833,,18.5,103,0,0,2,8,13,,,0,1,1,1,0,0,1,1,0,0,1,0,0,1,0,0,1,1,1,0
4-BROMOBUTYRONITRILE,005332-06-9,21412,4-bromobutanenitrile,C(CC#N)CBr,InChI=1S/C4H6BrN/c5-3-1-2-4-6/h1-3H2,CQPGDDAKTTWVDD-UHFFFAOYSA-N,C4H6BrN,148,146.96836,1,23.8,61,0,0,1,2,6,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
POTASSIUM SELENATE,007790-59-2,62680,dipotassium;selenate,[O-][Se](=O)(=O)[O-].[K+].[K+],"InChI=1S/2K.H2O4Se/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2",YAZJAPBTUDGMKO-UHFFFAOYSA-L,K2O4Se,221.17,221.82359,,80.3,62,0,0,4,0,7,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
HOLMIUM FLUORIDE (HOF3),013760-78-6,83709,trifluoroholmium,F[Ho](F)F,InChI=1S/3FH.Ho/h3*1H;/q;;;+3/p-3,FDIFPFNHNADKFC-UHFFFAOYSA-K,F3Ho,221.92554,221.925539,,0,8,0,0,3,0,4,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LITHIUM FLUORIDE (6LIF),014885-65-5,71309583,lithium-6(1+) fluoride,[6Li+].[F-],InChI=1S/FH.Li/h1H;/q;+1/p-1/i;1-1,PQXKHYXIUOZZFA-HCMAANCNSA-M,FLi,25.01352605,25.01352605,,0,2,0,0,1,0,2,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0
"BROMOACETIC ACID, SODIUM SALT",001068-52-6,23675628,sodium 2-bromoacetate,C(C(=O)[O-])Br.[Na+],"InChI=1S/C2H3BrO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1",SESSOVUNEZQNBV-UHFFFAOYSA-M,C2H2BrNaO2,160.93,159.91359,,40.1,46,0,0,2,1,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BROMOACETIC ACID-D3,014341-48-1,12229903,"deuterio 2-bromo-2,2-dideuterioacetate",[2H]C([2H])(C(=O)O[2H])Br,"InChI=1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)/i1D2/hD",KDPAWGWELVVRCH-RIAYTAFFSA-N,C2H3BrO2,141.97,140.95047,0.4,37.3,42,0,1,2,1,5,,,1,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
METHYL PHOSPHONIC ACID,001832-53-7,449085,ethoxy(methyl)phosphinic acid,CCOP(=O)(C)O,"InChI=1S/C3H9O3P/c1-3-6-7(2,4)5/h3H2,1-2H3,(H,4,5)",UFZOPKFMKMAWLU-UHFFFAOYSA-N,C3H9O3P,124.08,124.0289311,-0.7,46.5,90,0,1,3,2,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANAMINE, 2-CHLORO-N,N-DIMETHYL-",000107-99-3,7901,"2-chloro-N,N-dimethylethanamine",CN(C)CCCl,"InChI=1S/C4H10ClN/c1-6(2)4-3-5/h3-4H2,1-2H3",WQMAANNAZKNUDL-UHFFFAOYSA-N,C4H10ClN,107.58,107.050177,0.3,3.2,28,0,0,1,2,6,,,0,1,0,1,0,1,1,1,0,0,1,0,0,0,0,0,1,1,0,1
"N,N,N-TRIBUTYL-1-BUTANAMINIUM,  FLUORIDE",000429-41-4,2724141,tetrabutylazanium fluoride,CCCC[N+](CCCC)(CCCC)CCCC.[F-],"InChI=1S/C16H36N.FH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1",FPGGTKZVZWFYPV-UHFFFAOYSA-M,C16H36FN,261.46,261.2831783,,0,116,0,0,1,12,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"3-CHLORO-1,1,1-TRIFLUORO-PROPANE (HCFC-253FB)",000460-35-5,10000,"3-chloro-1,1,1-trifluoropropane",C(CCl)C(F)(F)F,"InChI=1S/C3H4ClF3/c4-2-1-3(5,6)7/h1-2H2",ZPIFKCVYZBVZIV-UHFFFAOYSA-N,C3H4ClF3,132.51,131.9953623,2.3,0,48,0,0,3,1,7,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"HYDRAZINE, [R-(R*,R*)]-2,3-DIHYDROXYBUTANEDIOATE (1:1)",000634-62-8,44630322,"(2R,3R)-2,3-dihydroxybutanedioic acid;hydrazine",[C@@H]([C@H](C(=O)O)O)(C(=O)O)O.NN,"InChI=1S/C4H6O6.H4N2/c5-1(3(7)8)2(6)4(9)10;1-2/h1-2,5-6H,(H,7,8)(H,9,10);1-2H2/t1-,2-;/m1./s1",GHPDWAAGDJPBLL-ZVGUSBNCSA-N,C4H10N2O6,182.13,182.053886,,167,134,0,6,8,3,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-BUTYNEDIOIC ACID, MONOPOTASSIUM SALT",000928-04-1,23677964,potassium 4-hydroxy-4-oxobut-2-ynoate,C(#CC(=O)[O-])C(=O)O.[K+],"InChI=1S/C4H2O4.K/c5-3(6)1-2-4(7)8;/h(H,5,6)(H,7,8);/q;+1/p-1",KLLYWRUTRAFSJT-UHFFFAOYSA-M,C4HKO4,152.15,151.95119,,77.4,183,0,1,4,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"OCTADECANOIC ACID, BARIUM CADMIUM SALT (4:1:1)",001191-79-3,20836014,barium(2+);cadmium(2+);tetrakis(octadecanoate),CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Cd+2].[Ba+2],"InChI=1S/4C18H36O2.Ba.Cd/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h4*2-17H2,1H3,(H,19,20);;/q;;;;2*+2/p-4",RGWMBYHTBXZOTN-UHFFFAOYSA-J,C72H140BaCdO8,1383.6,1384.863433,,161,196,0,0,8,60,82,,,0,1,1,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0
MANGANESE SELENIDE (MNSE),001313-22-0,73970,manganese(2+);selenium(2-),[Mn+2].[Se-2],InChI=1S/Mn.Se/q+2;-2,UMUKXUYHMLVFLM-UHFFFAOYSA-N,MnSe,133.91,134.85456,,0,0,0,0,1,0,2,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"PHOSPHOROCHLORIDOTHIOIC ACID, O,O-DIPROPYL ESTER",002524-05-2,75651,chloro-dipropoxy-sulfanylidene-lambda5-phosphane,CCCOP(=S)(OCCC)Cl,"InChI=1S/C6H14ClO2PS/c1-3-5-8-10(7,11)9-6-4-2/h3-6H2,1-2H3",GBTKSPPVHLJBFE-UHFFFAOYSA-N,C6H14ClO2PS,216.67,216.0140656,3.8,50.6,131,0,0,3,6,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ACETIC ACID, CHLORODIFLUORO-, ANHYDRIDE",002834-23-3,76074,"(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate",C(=O)(C(F)(F)Cl)OC(=O)C(F)(F)Cl,"InChI=1S/C4Cl2F4O3/c5-3(7,8)1(11)13-2(12)4(6,9)10",VBJIFLOSOQGDRZ-UHFFFAOYSA-N,C4Cl2F4O3,242.94,241.9160619,2.6,43.4,218,0,0,7,4,13,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"SELENOUREA, N,N-DIMETHYL-",005117-16-8,6330374,,CN(C)C(=N)[Se],"InChI=1S/C3H7N2Se/c1-5(2)3(4)6/h4H,1-2H3",RVXJIYJPQXRIEM-UHFFFAOYSA-N,C3H7N2Se,150.07,150.97744,,27.1,59,0,1,1,1,6,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
LEAD ARSENATE [CAS NO. 007645-25-2],007645-25-2,24572,hydrogen arsorate;lead(2+),O[As](=O)([O-])[O-].[Pb+2],"InChI=1S/AsH3O4.Pb/c2-1(3,4)5;/h(H3,2,3,4,5);/q;+2/p-2",UWRBYRMOUPAKLM-UHFFFAOYSA-L,AsHO4Pb,347,347.88573,,83.4,46,0,1,4,0,6,,,1,0,1,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,0
ALUMINUM NITRATE,013473-90-0,26053,aluminum trinitrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Al+3],InChI=1S/Al.3NO3/c;3*2-1(3)4/q+3;3*-1,JLDSOYXADOWAKB-UHFFFAOYSA-N,AlN3O9,213,212.944992,,189,18,0,0,9,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0
SODIUM CHROMATE 10 H2O,013517-17-4,61638,disodium;dioxido(dioxo)chromium;decahydrate,O.O.O.O.O.O.O.O.O.O.[O-][Cr](=O)(=O)[O-].[Na+].[Na+],InChI=1S/Cr.2Na.10H2O.4O/h;;;10*1H2;;;;/q;2*+1;;;;;;;;;;;;;2*-1,HVQUUBAXNCAQJV-UHFFFAOYSA-N,CrH20Na2O14,342.13,342.005349,,90.3,62,0,10,14,0,17,,,0,1,1,1,0,1,0,1,0,0,1,0,0,0,1,0,1,1,1,1
"PENTACYANONITROSYLFERRATE (2-), DISODIUM",014402-89-2,6604165,disodium;azanylidyneoxidanium;iron(2+);pentacyanide,[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.N#[O+].[Na+].[Na+].[Fe+2],InChI=1S/5CN.Fe.NO.2Na/c5*1-2;;1-2;;/q5*-1;+2;3*+1,XEYBHCRIKKKOSS-UHFFFAOYSA-N,C5FeN6Na2O,261.92,261.927833,,144,20,0,0,11,0,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"NONANE, 1,9-DIIODO-",024613-65-8,90557,"1,9-diiodononane",C(CCCCI)CCCCI,InChI=1S/C9H18I2/c10-8-6-4-2-1-3-5-7-9-11/h1-9H2,QVXLFUVDXDMDFE-UHFFFAOYSA-N,C9H18I2,380.05,379.9498,6.3,0,56,0,0,0,8,11,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANOL, 2-(OCTYLAMINO)-",032582-63-1,93158,2-(octylamino)ethanol,CCCCCCCCNCCO,"InChI=1S/C10H23NO/c1-2-3-4-5-6-7-8-11-9-10-12/h11-12H,2-10H2,1H3",UVYBWDBLVDZIOX-UHFFFAOYSA-N,C10H23NO,173.3,173.1779644,2.5,32.3,76,0,2,2,9,12,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-PROPANAMINIUM, 2,3-DIHYDROXY-N,N,N-TRIMETHYL-, CHLORIDE",034004-36-9,161796,"2,3-dihydroxypropyl(trimethyl)azanium chloride",C[N+](C)(C)CC(CO)O.[Cl-],"InChI=1S/C6H16NO2.ClH/c1-7(2,3)4-6(9)5-8;/h6,8-9H,4-5H2,1-3H3;1H/q+1;/p-1",YSRQRFIVCMIJJE-UHFFFAOYSA-M,C6H16ClNO2,169.65,169.0869564,,40.5,77,0,2,3,3,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Cadmium chloride, monohydrate",035658-65-2,16211517,dichlorocadmium;hydrate,O.Cl[Cd]Cl,InChI=1S/Cd.2ClH.H2O/h;2*1H;1H2/q+2;;;/p-2,OISMQLUZKQIKII-UHFFFAOYSA-L,CdCl2H2O,201.33,201.851635,,1,2,0,1,1,0,4,,,1,0,1,1,0,1,1,0,0,0,1,0,0,1,0,0,0,0,1,0
"ALUMINUM GALLIUM ARSENIDE ((AL,GA)AS)",037382-15-3,76871762,alumanylidynearsane;gallanylidynearsane,[Al]#[As].[Ga]#[As],InChI=1S/Al.2As.Ga,FTWRSWRBSVXQPI-UHFFFAOYSA-N,AlAs2Ga,246.548,245.7503,,0,20,0,0,0,0,4,,,1,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"DECANOIC ACID, 2-PROPENYL ESTER",057856-81-2,93831,prop-2-enyl decanoate,CCCCCCCCCC(=O)OCC=C,"InChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-11-13(14)15-12-4-2/h4H,2-3,5-12H2,1H3",DQVOTEHORLHPRW-UHFFFAOYSA-N,C13H24O2,212.33,212.17763,4.8,26.3,164,0,0,2,11,15,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
METHYLARSENIC ACID,000124-58-3,8948,methylarsonic acid,C[As](=O)(O)O,"InChI=1S/CH5AsO3/c1-2(3,4)5/h1H3,(H2,3,4,5)",QYPPRTNMGCREIM-UHFFFAOYSA-N,CH5AsO3,139.97,139.945464,,57.5,61,0,2,3,0,5,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
2-HYDROXYETHYL DISULFIDE,001892-29-1,15906,2-(2-hydroxyethyldisulfanyl)ethanol,C(CSSCCO)O,"InChI=1S/C4H10O2S2/c5-1-3-7-8-4-2-6/h5-6H,1-4H2",KYNFOMQIXZUKRK-UHFFFAOYSA-N,C4H10O2S2,154.3,154.0122219,-0.5,91.1,37,0,2,4,5,8,,158-163 °C at 3.50E+00 mm Hg,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
PARAFORMALDEHYDE-D2,032008-59-6,123127,dideuteriomethanone,[2H]C(=O)[2H],InChI=1S/CH2O/c1-2/h1H2/i1D2,WSFSSNUMVMOOMR-DICFDUPASA-N,CH2O,32.038,32.02311818,1.2,17.1,2,0,0,1,0,2,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,1,0,1,1,0,0
"N,N-DIMETHYLACRYLAMIDE",002680-03-7,17587,"N,N-dimethylprop-2-enamide",CN(C)C(=O)C=C,"InChI=1S/C5H9NO/c1-4-5(7)6(2)3/h4H,1H2,2-3H3",YLGYACDQVQQZSW-UHFFFAOYSA-N,C5H9NO,99.13,99.06841391,0.3,20.3,86,0,0,1,1,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
SODIUM SELENIDE,001313-85-5,73973,disodium;selenium(2-),[Na+].[Na+].[Se-2],InChI=1S/2Na.Se/q2*+1;-2,VPQBLCVGUWPDHV-UHFFFAOYSA-N,Na2Se,124.95,125.89606,,0,0,0,0,1,0,3,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
CADMIUM ARSENIDE,012006-15-4,156589061,arsenic;cadmium,[As].[Cd],InChI=1S/As.Cd,APAWRDGVSNYWSL-UHFFFAOYSA-N,AsCd,187.34,188.82496,,0,0,0,0,0,0,2,,,1,1,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
SODIUM CACODYLATE TRIHYDRATE,006131-99-3,23679059,sodium;dimethylarsinate;trihydrate,C[As](=O)(C)[O-].O.O.O.[Na+],"InChI=1S/C2H7AsO2.Na.3H2O/c1-3(2,4)5;;;;/h1-2H3,(H,4,5);;3*1H2/q;+1;;;/p-1",RLGWPHBPRCROJO-UHFFFAOYSA-M,C2H12AsNaO5,214.03,213.979837,,43.1,65,0,3,5,0,9,,,1,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
DIMETHYL SULFATE,000077-78-1,6497,dimethyl sulfate,COS(=O)(=O)OC,"InChI=1S/C2H6O4S/c1-5-7(3,4)6-2/h1-2H3",VAYGXNSJCAHWJZ-UHFFFAOYSA-N,C2H6O4S,126.13,125.9986798,-0.3,61,107,0,0,4,2,7,"182 °F (EPA, 1998)","About 370 °F (with decomposition) (EPA, 1998)",0,0,1,1,0,1,0,0,0,0,1,0,0,0,0,0,1,1,0,0
"PHOSPHOROCHLORIDOTHIOIC ACID, O,O-DIETHYL ESTER",002524-04-1,17305,chloro-diethoxy-sulfanylidene-lambda5-phosphane,CCOP(=S)(OCC)Cl,"InChI=1S/C4H10ClO2PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3",KMJJJTCKNZYTEY-UHFFFAOYSA-N,C4H10ClO2PS,188.61,187.9827654,2.7,50.6,109,0,0,3,4,9,92 °C c.c.,49 °C BELOW 1 MM HG; FP: BELOW -75 °C,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM HEXACHLOROPLATINATE (IV),016923-58-3,11134193,disodium;hexachloroplatinum(2-),[Na+].[Na+].Cl[Pt-2](Cl)(Cl)(Cl)(Cl)Cl,InChI=1S/6ClH.2Na.Pt/h6*1H;;;/q;;;;;;2*+1;+4/p-6,QGFSULIVEYGQQY-UHFFFAOYSA-H,Cl6Na2Pt,453.8,452.754499,,0,62,0,0,1,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0
CHLOROPLATINIC ACID,016941-12-1,61859,hexachloroplatinum(2-);hydron,[H+].[H+].Cl[Pt-2](Cl)(Cl)(Cl)(Cl)Cl,InChI=1S/6ClH.Pt/h6*1H;/q;;;;;;+4/p-4,GBFHNZZOZWQQPA-UHFFFAOYSA-J,Cl6H2Pt,409.8,408.79061,,0,62,0,2,1,0,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,1,1,0,0
ARSENIC SELENIDE,001303-36-2,14772,,[As](=[Se])[Se][As]=[Se],InChI=1S/As2Se3/c3-1-5-2-4,WBFMCDAQUDITAS-UHFFFAOYSA-N,As2Se3,386.8,387.59354,,0,34,0,0,0,0,5,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
N-NITROSODIMETHYLAMINE,000062-75-9,6124,"N,N-dimethylnitrous amide",CN(C)N=O,InChI=1S/C2H6N2O/c1-4(2)3-5/h1-2H3,UMFJAHHVKNCGLG-UHFFFAOYSA-N,C2H6N2O,74.08,74.04801282,-0.6,32.7,34,0,0,3,0,5,"142 °F (NTP, 1992)","304 to 307 °F at 760 mmHg (EPA, 1998)",0,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"PROPETAMPHOS [3-[[(ETHYLAMINO)METHOXYPHOSPHINOTHIOYL]OXY]-2-BUTENOIC ACID,",031218-83-4,5372405,propan-2-yl (E)-3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate,CCNP(=S)(OC)O/C(=C/C(=O)OC(C)C)/C,"InChI=1S/C10H20NO4PS/c1-6-11-16(17,13-5)15-9(4)7-10(12)14-8(2)3/h7-8H,6H2,1-5H3,(H,11,17)/b9-7+",BZNDWPRGXNILMS-VQHVLOKHSA-N,C10H20NO4PS,281.31,281.0850663,2.8,88.9,330,0,1,6,8,17,,87-89 °C @ 0.005 mm Hg,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
ETHYLENE BROMIDE,000106-93-4,7839,"1,2-dibromoethane",C(CBr)Br,InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2,PAAZPARNPHGIKF-UHFFFAOYSA-N,C2H4Br2,187.86,187.86593,2,0,6,0,0,0,1,4,,"268 to 270 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,1,1,1,0,0,0,0,0,0,0,0,1,0,0,1
CYANAMIDE,000420-04-2,9864,cyanamide,C(#N)N,InChI=1S/CH2N2/c2-1-3/h2H2,XZMCDFZZKTWFGF-UHFFFAOYSA-N,CH2N2,42.04,42.02179807,-0.3,49.8,29,0,1,2,0,3,"286 °F (NIOSH, 2024)","500 °F at 760 mmHg (Decomposes) (NIOSH, 2024)",0,1,0,1,0,1,1,1,0,0,0,0,0,1,0,0,1,1,1,0
"1,3-DICHLORO-2-PROPANOL",000096-23-1,7289,"1,3-dichloropropan-2-ol",C(C(CCl)O)Cl,"InChI=1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2",DEWLEGDTCGBNGU-UHFFFAOYSA-N,C3H6Cl2O,128.98,127.9795702,0.8,20.2,28,0,1,1,2,6,"165 °F (NTP, 1992)","345 °F at 760 mmHg (NTP, 1992)",0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"STANNANE, DIBUTYLBIS[(1-OXOOCTADECYL)OXY]-",005847-55-2,16682765,[dibutyl(octadecanoyloxy)stannyl] octadecanoate,CCCCCCCCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/2C18H36O2.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*1-3-4-2;/h2*2-17H2,1H3,(H,19,20);2*1,3-4H2,2H3;/q;;;;+2/p-2",YVHDRFKHKGNLNW-UHFFFAOYSA-L,C44H88O4Sn,799.9,800.570464,,52.6,638,0,0,4,42,49,,,1,0,1,1,0,0,1,1,0,0,1,0,0,1,0,0,1,1,1,1
"PENTA-2,4-DIENOIC ACID",000626-99-3,642034,"(2E)-penta-2,4-dienoic acid",C=C/C=C/C(=O)O,"InChI=1S/C5H6O2/c1-2-3-4-5(6)7/h2-4H,1H2,(H,6,7)/b4-3+",SDVVLIIVFBKBMG-ONEGZZNKSA-N,C5H6O2,98.1,98.03677943,1.1,37.3,103,0,1,2,2,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"STANNANE, DIBUTYLTHIOXO-",004253-22-9,61338,dibutyl(sulfanylidene)tin,CCCC[Sn](=S)CCCC,"InChI=1S/2C4H9.S.Sn/c2*1-3-4-2;;/h2*1,3-4H2,2H3;;",JJPZOIJCDNHCJP-UHFFFAOYSA-N,C8H18SSn,265.01,266.015124,,32.1,81,0,0,1,6,10,,,1,1,0,1,0,0,1,1,0,0,1,0,0,1,0,0,1,1,1,1
"ETHENOL, HOMOPOLYMER, OXIDIZED",068441-75-8,11199,ethenol,C=CO,"InChI=1S/C2H4O/c1-2-3/h2-3H,1H2",IMROMDMJAWUWLK-UHFFFAOYSA-N,C2H4O,44.05,44.02621475,0.5,20.2,10,0,1,1,0,3,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CARBON TETRABROMIDE,000558-13-4,11205,tetrabromomethane,C(Br)(Br)(Br)Br,"InChI=1S/CBr4/c2-1(3,4)5",HJUGFYREWKUQJT-UHFFFAOYSA-N,CBr4,331.63,331.66925,3.4,0,19,0,0,0,0,5,,"374 °F at 760 mmHg (NIOSH, 2024)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"STANNOUS CHLORIDE, DIHYDRATE",010025-69-1,43835034,dichlorotin;hydrate,O.Cl[Sn]Cl,InChI=1S/2ClH.H2O.Sn/h2*1H;1H2;/q;;;+2/p-2,LWJYMKDMGMOTSB-UHFFFAOYSA-L,Cl2H2OSn,207.63,207.850473,,1,2,0,1,1,0,4,,,1,0,1,1,0,0,1,1,0,0,1,0,0,1,0,0,1,1,1,1
ZINC CHLORIDE,007646-85-7,5727,dichlorozinc,Cl[Zn]Cl,InChI=1S/2ClH.Zn/h2*1H;/q;;+2/p-2,JIAARYAFYJHUJI-UHFFFAOYSA-L,Cl2Zn,136.3,133.866847,,0,2,0,0,0,0,3,,"1350 °F at 760 mmHg (NIOSH, 2024)",1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
2-BROMOBUTYRIC ACID,000080-58-0,6655,2-bromobutanoic acid,CCC(C(=O)O)Br,"InChI=1S/C4H7BrO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)",YAQLSKVCTLCIIE-UHFFFAOYSA-N,C4H7BrO2,167,165.96294,1.4,37.3,72,0,1,2,2,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
NICKEL HYDROXIDE,012054-48-7,61534,nickel(2+) dihydroxide,[OH-].[OH-].[Ni+2],InChI=1S/Ni.2H2O/h;2*1H2/q+2;;/p-2,BFDHFSHZJLFAMC-UHFFFAOYSA-L,H2NiO2,92.708,91.940821,,2,0,0,2,2,0,3,"Ignites in air at about 752.0 °F (USCG, 1999)",,1,0,1,1,0,1,1,0,0,0,1,0,0,1,1,0,1,1,1,0
DIETHYLDITHIOCARBAMATE SODIUM TRIHYDRATE,020624-25-3,517546,"sodium;N,N-diethylcarbamodithioate;trihydrate",CCN(CC)C(=S)[S-].O.O.O.[Na+],"InChI=1S/C5H11NS2.Na.3H2O/c1-3-6(4-2)5(7)8;;;;/h3-4H2,1-2H3,(H,7,8);;3*1H2/q;+1;;;/p-1",WWGXHTXOZKVJDN-UHFFFAOYSA-M,C5H16NNaO3S2,225.3,225.04693,,39.3,83,0,3,5,2,12,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
DIMETHYLPHOSPHINOTHIOIC CHLORIDE,000993-12-4,61245,chloro-dimethyl-sulfanylidene-lambda5-phosphane,CP(=S)(C)Cl,"InChI=1S/C2H6ClPS/c1-4(2,3)5/h1-2H3",UGOLAPHJCTVIEW-UHFFFAOYSA-N,C2H6ClPS,128.56,127.9616361,1.9,32.1,64,0,0,1,0,5,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
MYRISTYLTRIMETHYLAMMONIUM BROMIDE,001119-97-7,14250,trimethyl(tetradecyl)azanium bromide,CCCCCCCCCCCCCC[N+](C)(C)C.[Br-],"InChI=1S/C17H38N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1",CXRFDZFCGOPDTD-UHFFFAOYSA-M,C17H38BrN,336.4,335.21876,,0,157,0,0,1,13,19,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
3-TRIETHOXYSILYL-1-PROPANAMINE,000919-30-2,13521,3-triethoxysilylpropan-1-amine,CCO[Si](CCCN)(OCC)OCC,"InChI=1S/C9H23NO3Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10/h4-10H2,1-3H3",WYTZZXDRDKSJID-UHFFFAOYSA-N,C9H23NO3Si,221.37,221.1447201,,53.7,118,0,1,4,9,14,98 °C (closed cup),217 °C,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2,4-HEXADIEN-1-OL",000111-28-4,8104,"hexa-2,4-dien-1-ol",CC=CC=CCO,"InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2-5,7H,6H2,1H3",MEIRRNXMZYDVDW-UHFFFAOYSA-N,C6H10O,98.14,98.07316494,1.1,20.2,72,0,1,1,2,7,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TANTALUM(V) CHLORIDE,007721-01-9,24394,pentachlorotantalum,Cl[Ta](Cl)(Cl)(Cl)Cl,InChI=1S/5ClH.Ta/h5*1H;/q;;;;;+5/p-5,OEIMLTQPLAGXMX-UHFFFAOYSA-I,Cl5Ta,358.2,357.78931,,0,37,0,0,0,0,6,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
N-(2-HYDROXYETHYL)ETHYLENEDINITRILOTRIACETIC ACID,000150-39-0,8773,2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetic acid,C(CN(CC(=O)O)CC(=O)O)N(CCO)CC(=O)O,"InChI=1S/C10H18N2O7/c13-4-3-11(5-8(14)15)1-2-12(6-9(16)17)7-10(18)19/h13H,1-7H2,(H,14,15)(H,16,17)(H,18,19)",URDCARMUOSMFFI-UHFFFAOYSA-N,C10H18N2O7,278.26,278.1114009,-6.2,139,305,0,4,9,11,19,Flash point: 100 °C (closed cup),,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"ETHYLENEDIAMINETETRAACETIC ACID, TETRASODIUM SALT DIHYDRATE",010378-23-1,21917311,tetrasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;dihydrate,C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.O.[Na+].[Na+].[Na+].[Na+],"InChI=1S/C10H16N2O8.4Na.2H2O/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;;2*1H2/q;4*+1;;/p-4",KSYNLCYTMRMCGG-UHFFFAOYSA-J,C10H16N2Na4O10,416.2,416.0395718,,169,293,0,2,12,7,26,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PALLADIUM(II) ACETATE,003375-31-3,167845,palladium(2+) diacetate,CC(=O)[O-].CC(=O)[O-].[Pd+2],"InChI=1S/2C2H4O2.Pd/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",YJVFFLUZDVXJQI-UHFFFAOYSA-L,C4H6O4Pd,224.51,223.93009,,80.3,25,0,0,4,0,9,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
N-(2-AMINOETHYL)3-AMINOPROPYLTRIMETHOXYSILANE,001760-24-3,15659,"N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine",CO[Si](CCCNCCN)(OC)OC,"InChI=1S/C8H22N2O3Si/c1-11-14(12-2,13-3)8-4-6-10-7-5-9/h10H,4-9H2,1-3H3",PHQOGHDTIVQXHL-UHFFFAOYSA-N,C8H22N2O3Si,222.36,222.1399691,,65.7,125,0,2,5,9,14,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,1,0
3-BROMO-1-PROPANOL,000627-18-9,12308,3-bromopropan-1-ol,C(CO)CBr,"InChI=1S/C3H7BrO/c4-2-1-3-5/h5H,1-3H2",RQFUZUMFPRMVDX-UHFFFAOYSA-N,C3H7BrO,138.99,137.96803,0.7,20.2,16,0,1,1,2,5,"201 °F (NTP, 1992)","293 to 298 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,12-DIAMINODODECANE",002783-17-7,17727,"dodecane-1,12-diamine",C(CCCCCCN)CCCCCN,InChI=1S/C12H28N2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-14H2,QFTYSVGGYOXFRQ-UHFFFAOYSA-N,C12H28N2,200.36,200.2252489,3,52,82,0,2,2,11,14,,,1,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
METHYL ACRYLAMIDOGLYCOLATE METHYL ETHER,077402-03-0,156893,methyl 2-methoxy-2-(prop-2-enoylamino)acetate,COC(C(=O)OC)NC(=O)C=C,"InChI=1S/C7H11NO4/c1-4-5(9)8-6(11-2)7(10)12-3/h4,6H,1H2,2-3H3,(H,8,9)",JMSTYCQEPRPFBF-UHFFFAOYSA-N,C7H11NO4,173.17,173.0688078,0,64.6,190,0,1,4,5,12,,,0,0,0,1,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0
AMMONIUM CARBAMATE,001111-78-0,517232,azanium carbamate,C(=O)(N)[O-].[NH4+],"InChI=1S/CH3NO2.H3N/c2-1(3)4;/h2H2,(H,3,4);1H3",BVCZEBOGSOYJJT-UHFFFAOYSA-N,CH6N2O2,78.071,78.04292744,,67.2,27,0,2,2,0,5,,"Sublimes 140 °F (USCG, 1999)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
DODECYLTRIETHOXY SULFATE,013150-00-0,23674622,sodium 2-[2-(2-dodecoxyethoxy)ethoxy]ethyl sulfate,CCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)[O-].[Na+],"InChI=1S/C18H38O7S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-22-13-14-23-15-16-24-17-18-25-26(19,20)21;/h2-18H2,1H3,(H,19,20,21);/q;+1/p-1",SXHLENDCVBIJFO-UHFFFAOYSA-M,C18H37NaO7S,420.5,420.215769,,103,374,0,0,7,21,27,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
THIOPHOSGENE,000463-71-8,10040,thiocarbonyl dichloride,C(=S)(Cl)Cl,InChI=1S/CCl2S/c2-1(3)4,ZWZVWGITAAIFPS-UHFFFAOYSA-N,CCl2S,114.98,113.9097766,2.4,32.1,29,0,0,1,0,4,,"163 °F at 760 mmHg (USCG, 1999)",0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DOCOSANOIC ACID SILVER (1+) SALT,002489-05-6,164971,silver docosanoate,CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].[Ag+],"InChI=1S/C22H44O2.Ag/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h2-21H2,1H3,(H,23,24);/q;+1/p-1",AQRYNYUOKMNDDV-UHFFFAOYSA-M,C22H43AgO2,447.4,446.2314,,40.1,245,0,0,2,19,25,,,1,1,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
NIOBIUM(V) FLUORIDE,007783-68-8,82217,pentafluoroniobium,F[Nb](F)(F)(F)F,InChI=1S/5FH.Nb/h5*1H;/q;;;;;+5/p-5,AOLPZAHRYHXPLR-UHFFFAOYSA-I,F5Nb,187.89839,187.89839,,0,37,0,0,5,0,6,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-BROMOISOBUTYRYL BROMIDE,020769-85-1,88685,2-bromo-2-methylpropanoyl bromide,CC(C)(C(=O)Br)Br,"InChI=1S/C4H6Br2O/c1-4(2,6)3(5)7/h1-2H3",YOCIJWAHRAJQFT-UHFFFAOYSA-N,C4H6Br2O,229.9,229.87649,2.2,17.1,87,0,0,1,1,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
DIMETHYL ITACONATE,000617-52-7,69240,dimethyl 2-methylidenebutanedioate,COC(=O)CC(=C)C(=O)OC,"InChI=1S/C7H10O4/c1-5(7(9)11-3)4-6(8)10-2/h1,4H2,2-3H3",ZWWQRMFIZFPUAA-UHFFFAOYSA-N,C7H10O4,158.15,158.0579088,0.5,52.6,183,0,0,4,5,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
ETHOMEEN 18/15,026635-92-7,62813,2-[2-[2-(2-hydroxyethoxy)ethyl-octadecylamino]ethoxy]ethanol,CCCCCCCCCCCCCCCCCCN(CCOCCO)CCOCCO,"InChI=1S/C26H55NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(19-23-30-25-21-28)20-24-31-26-22-29/h28-29H,2-26H2,1H3",IEXQFYPEUSYMHN-UHFFFAOYSA-N,C26H55NO4,445.7,445.4131092,7.4,62.2,306,0,2,5,27,31,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,3-DIBROMOPROPIONAMIDE",015102-42-8,85798,"2,3-dibromopropanamide",C(C(C(=O)N)Br)Br,"InChI=1S/C3H5Br2NO/c4-1-2(5)3(6)7/h2H,1H2,(H2,6,7)",DZQCMQRQFZXQKN-UHFFFAOYSA-N,C3H5Br2NO,230.89,230.87174,0.7,43.1,75,0,1,1,2,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PROPYL METHANESULFONATE,001912-31-8,74705,propyl methanesulfonate,CCCOS(=O)(=O)C,"InChI=1S/C4H10O3S/c1-3-4-7-8(2,5)6/h3-4H2,1-2H3",DKORSYDQYFVQNS-UHFFFAOYSA-N,C4H10O3S,138.19,138.0350654,0.5,51.8,130,0,0,3,3,8,,,0,0,0,1,0,1,0,1,0,0,1,0,0,0,0,0,1,0,0,1
N-(2-HYDROXYETHYL)IMINODIACETIC ACID,000093-62-9,7152,2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid,C(CO)N(CC(=O)O)CC(=O)O,"InChI=1S/C6H11NO5/c8-2-1-7(3-5(9)10)4-6(11)12/h8H,1-4H2,(H,9,10)(H,11,12)",JYXGIOKAKDAARW-UHFFFAOYSA-N,C6H11NO5,177.16,177.0637225,-3.5,98.1,153,0,3,6,6,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POTASSIUM HEXAFLUOROPHOSPHATE,017084-13-8,23688904,potassium hexafluorophosphate,F[P-](F)(F)(F)(F)F.[K+],"InChI=1S/F6P.K/c1-7(2,3,4,5)6;/q-1;+1",YZDGRYDIGCWVND-UHFFFAOYSA-N,F6KP,184.0625,183.9278875,,0,67,0,0,7,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
4-AMINO-1-BUTANOL,013325-10-5,25868,4-aminobutan-1-ol,C(CCO)CN,"InChI=1S/C4H11NO/c5-3-1-2-4-6/h6H,1-5H2",BLFRQYKZFKYQLO-UHFFFAOYSA-N,C4H11NO,89.14,89.08406397,-1.1,46.3,23,0,2,2,3,6,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
DI(ETHYLENE GLYCOL)METHYL ETHER METHACRYLATE,045103-58-0,170752,2-(2-methoxyethoxy)ethyl 2-methylprop-2-enoate,CC(=C)C(=O)OCCOCCOC,"InChI=1S/C9H16O4/c1-8(2)9(10)13-7-6-12-5-4-11-3/h1,4-7H2,2-3H3",DAVVKEZTUOGEAK-UHFFFAOYSA-N,C9H16O4,188.22,188.104859,0.9,44.8,165,0,0,4,8,13,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
(R)-(-)-2-AMINO-1-BUTANOL,005856-63-3,2723856,(2R)-2-aminobutan-1-ol,CC[C@H](CO)N,"InChI=1S/C4H11NO/c1-2-4(5)3-6/h4,6H,2-3,5H2,1H3/t4-/m1/s1",JCBPETKZIGVZRE-SCSAIBSYSA-N,C4H11NO,89.14,89.08406397,-0.4,46.3,30,0,2,2,2,6,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
FUMARYL CHLORIDE,000627-63-4,5325504,(E)-but-2-enedioyl dichloride,C(=C/C(=O)Cl)\C(=O)Cl,InChI=1S/C4H2Cl2O2/c5-3(7)1-2-4(6)8/h1-2H/b2-1+,ZLYYJUJDFKGVKB-OWOJBTEDSA-N,C4H2Cl2O2,152.96,151.9431847,1.5,34.1,123,0,0,2,2,8,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
1-BUTANESULFONYL CHLORIDE,002386-60-9,75430,butane-1-sulfonyl chloride,CCCCS(=O)(=O)Cl,"InChI=1S/C4H9ClO2S/c1-2-3-4-8(5,6)7/h2-4H2,1H3",WEDIIKBPDQQQJU-UHFFFAOYSA-N,C4H9ClO2S,156.63,156.0011784,1.6,42.5,133,0,0,2,3,8,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
TRICHLORO(3-CHLOROPROPYL)SILANE,002550-06-3,75693,trichloro(3-chloropropyl)silane,C(C[Si](Cl)(Cl)Cl)CCl,"InChI=1S/C3H6Cl4Si/c4-2-1-3-8(5,6)7/h1-3H2",OOXSLJBUMMHDKW-UHFFFAOYSA-N,C3H6Cl4Si,212,211.896337,,0,58,0,0,0,2,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"4,4,4-TRIFLUORO-3-HYDROXY-3-METHYLBUTYRIC ACID",000338-03-4,136168,"4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid",CC(CC(=O)O)(C(F)(F)F)O,"InChI=1S/C5H7F3O3/c1-4(11,2-3(9)10)5(6,7)8/h11H,2H2,1H3,(H,9,10)",JCJGOWYCFRASTM-UHFFFAOYSA-N,C5H7F3O3,172.1,172.0347286,0.4,57.5,165,0,2,6,2,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
(2E)-2-PENTENOIC ACID,013991-37-2,638122,(E)-pent-2-enoic acid,CC/C=C/C(=O)O,"InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+",YIYBQIKDCADOSF-ONEGZZNKSA-N,C5H8O2,100.12,100.0524295,1,37.3,84,0,1,2,2,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
OSMIUM(III) CHLORIDE TRIHYDRATE,135296-80-9,57348105,trichloroosmium;trihydrate,O.O.O.Cl[Os](Cl)Cl,InChI=1S/3ClH.3H2O.Os/h3*1H;3*1H2;/q;;;;;;+3/p-3,UACQLNPCDXDCID-UHFFFAOYSA-K,Cl3H6O3Os,350.6,350.89973,,3,8,0,3,3,0,7,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2,2`,2``,2```-(ETHYLENEDINITRILO)TETRAETHANOL",000140-07-8,67322,2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol,C(CN(CCO)CCO)N(CCO)CCO,"InChI=1S/C10H24N2O4/c13-7-3-11(4-8-14)1-2-12(5-9-15)6-10-16/h13-16H,1-10H2",BYACHAOCSIPLCM-UHFFFAOYSA-N,C10H24N2O4,236.31,236.1736073,-2.4,87.4,121,0,4,6,11,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,2'-OXYDI(ETHYLAMINE)",002752-17-2,75982,2-(2-aminoethoxy)ethanamine,C(COCCN)N,InChI=1S/C4H12N2O/c5-1-3-7-4-2-6/h1-6H2,GXVUZYLYWKWJIM-UHFFFAOYSA-N,C4H12N2O,104.15,104.094963,-1.8,61.3,28,0,2,3,4,7,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"ETHANEDIOIC ACID, DI-2-PROPENYL ESTER",000615-99-6,69215,bis(prop-2-enyl) oxalate,C=CCOC(=O)C(=O)OCC=C,"InChI=1S/C8H10O4/c1-3-5-11-7(9)8(10)12-6-4-2/h3-4H,1-2,5-6H2",BKXRKRANFLFTFU-UHFFFAOYSA-N,C8H10O4,170.16,170.0579088,1.7,52.6,173,0,0,4,7,12,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,1
"SILANE, TRICHLORO(1,2-DICHLOROETHYL)-",000684-00-4,79093,"trichloro(1,2-dichloroethyl)silane",C(C([Si](Cl)(Cl)Cl)Cl)Cl,"InChI=1S/C2H3Cl5Si/c3-1-2(4)8(5,6)7/h2H,1H2",PXYVBFOZDSGKNO-UHFFFAOYSA-N,C2H3Cl5Si,232.4,231.841715,,0,67,0,0,0,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-BUTENEDIOIC ACID (Z)-, COMPD. WITH N,N-DIETHYLETHANAMINE (1:1)",001069-58-5,6441509,"(Z)-but-2-enedioic acid;N,N-diethylethanamine",CCN(CC)CC.C(=C\C(=O)O)\C(=O)O,"InChI=1S/C6H15N.C4H4O4/c1-4-7(5-2)6-3;5-3(6)1-2-4(7)8/h4-6H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-",BGBNXIKULUCCOO-BTJKTKAUSA-N,C10H19NO4,217.26,217.1314081,,77.8,145,0,2,5,5,15,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"BUTANOIC ACID, 3-CHLORO-",001951-12-8,16048,3-chlorobutanoic acid,CC(CC(=O)O)Cl,"InChI=1S/C4H7ClO2/c1-3(5)2-4(6)7/h3H,2H2,1H3,(H,6,7)",XEEMVPPCXNTVNP-UHFFFAOYSA-N,C4H7ClO2,122.55,122.0134572,0.7,37.3,72,0,1,2,2,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANOL, 2-[[2-(DIMETHYLAMINO)ETHYL]METHYLAMINO]-",002212-32-0,75171,2-[2-(dimethylamino)ethyl-methylamino]ethanol,CN(C)CCN(C)CCO,"InChI=1S/C7H18N2O/c1-8(2)4-5-9(3)6-7-10/h10H,4-7H2,1-3H3",LSYBWANTZYUTGJ-UHFFFAOYSA-N,C7H18N2O,146.23,146.1419132,-0.4,26.7,76,0,1,3,5,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHORODITHIOIC ACID, O,O-DIETHYL ESTER, SODIUM SALT",003338-24-7,11321726,sodium diethoxy-sulfanylidene-sulfido-lambda5-phosphane,CCOP(=S)(OCC)[S-].[Na+],"InChI=1S/C4H11O2PS2.Na/c1-3-5-7(8,9)6-4-2;/h3-4H2,1-2H3,(H,8,9);/q;+1/p-1",ZKDDJTYSFCWVGS-UHFFFAOYSA-M,C4H10NaO2PS2,208.2,207.9757532,,51.6,112,0,0,4,4,10,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-Butanol, 4-(butylnitrosoamino)-",003817-11-6,19665,N-butyl-N-(4-hydroxybutyl)nitrous amide,CCCCN(CCCCO)N=O,"InChI=1S/C8H18N2O2/c1-2-3-6-10(9-12)7-4-5-8-11/h11H,2-8H2,1H3",DIKPQFXYECAYPC-UHFFFAOYSA-N,C8H18N2O2,174.24,174.1368278,1.4,52.9,109,0,1,4,7,12,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ACETIC ACID, TRICHLORO-, ANHYDRIDE",004124-31-6,20079,"(2,2,2-trichloroacetyl) 2,2,2-trichloroacetate",C(=O)(C(Cl)(Cl)Cl)OC(=O)C(Cl)(Cl)Cl,"InChI=1S/C4Cl6O3/c5-3(6,7)1(11)13-2(12)4(8,9)10",MEFKFJOEVLUFAY-UHFFFAOYSA-N,C4Cl6O3,308.7,307.79491,3.6,43.4,201,0,0,3,2,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1-PROPANAMINE, 3-[(2-ETHYLHEXYL)OXY]-",005397-31-9,21499,3-(2-ethylhexoxy)propan-1-amine,CCCCC(CC)COCCCN,"InChI=1S/C11H25NO/c1-3-5-7-11(4-2)10-13-9-6-8-12/h11H,3-10,12H2,1-2H3",DVFGEIYOLIFSRX-UHFFFAOYSA-N,C11H25NO,187.32,187.1936144,2.6,35.3,96,0,1,2,9,13,"greater than 200 °F (NTP, 1992)",,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"SILANE, TETRAISOTHIOCYANATO-",006544-02-1,81032,tetraisothiocyanatosilane,C(=N[Si](N=C=S)(N=C=S)N=C=S)=S,"InChI=1S/C4N4S4Si/c9-1-5-13(6-2-10,7-3-11)8-4-12",NOGBKWXHNPDHFA-UHFFFAOYSA-N,C4N4S4Si,260.4,259.8775073,,178,303,0,0,8,4,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,3-PROPANEDIAMINE, N-9-OCTADECENYL-, (Z)-, DIACETATE",007173-67-3,90478705,"acetic acid;N'-[(Z)-octadec-9-enyl]propane-1,3-diamine",CCCCCCCC/C=C\CCCCCCCCNCCCN.CC(=O)O.CC(=O)O,"InChI=1S/C21H44N2.2C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22;2*1-2(3)4/h9-10,23H,2-8,11-22H2,1H3;2*1H3,(H,3,4)/b10-9-;;",RYWKPLKIXPVEKP-XXAVUKJNSA-N,C25H52N2O4,444.7,444.3927081,,113,257,0,4,6,19,31,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TANTALUM FLUORIDE (TAF5),007783-71-3,82218,pentafluorotantalum,F[Ta](F)(F)(F)F,InChI=1S/5FH.Ta/h5*1H;/q;;;;;+5/p-5,YRGLXIVYESZPLQ-UHFFFAOYSA-I,F5Ta,275.9399,275.94001,,0,37,0,0,5,0,6,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-ISOTRIDECYL-.OMEGA.-HYDROXY-",009043-30-5,656641,2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol,CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,"InChI=1S/C30H62O10/c1-2-3-4-5-6-7-8-9-10-11-13-32-15-17-34-19-21-36-23-25-38-27-29-40-30-28-39-26-24-37-22-20-35-18-16-33-14-12-31/h31H,2-30H2,1H3",ONJQDTZCDSESIW-UHFFFAOYSA-N,C30H62O10,582.8,582.4342982,3.9,103,431,0,1,10,37,40,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
LEAD NIOBIUM OXIDE (PBNB2O6),012034-88-7,16685050,(dioxoniobiooxy-lambda2-plumbanyl)oxy-dioxoniobium,O=[Nb](=O)O[Pb]O[Nb](=O)=O,InChI=1S/2Nb.6O.Pb,HJQKHVBXBQZGBY-UHFFFAOYSA-N,Nb2O6Pb,489,489.75889,,86.7,150,0,0,6,2,9,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"ANTIMONY, COMPD. WITH LEAD (1:1)",012266-38-5,72720464,stibanylidynelead,[Sb]#[Pb],InChI=1S/Pb.Sb,QQHJESKHUUVSIC-UHFFFAOYSA-N,PbSb,329,328.88046,,0,10,0,0,0,0,2,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"ANTIMONY, COMPD. WITH NICKEL (1:3)",012503-49-0,6337020,,[Ni].[Ni].[Ni].[Sb],InChI=1S/3Ni.Sb,KVODRKGILKZGAK-UHFFFAOYSA-N,Ni3Sb,297.84,296.70528,,0,0,0,0,0,0,4,,,0,0,1,1,0,1,1,0,0,0,0,0,0,0,1,0,0,1,0,0
2-UNDECANAMINE,013205-56-6,114476,undecan-2-amine,CCCCCCCCCC(C)N,"InChI=1S/C11H25N/c1-3-4-5-6-7-8-9-10-11(2)12/h11H,3-10,12H2,1-2H3",NHBKWZCTSMCKDS-UHFFFAOYSA-N,C11H25N,171.32,171.1986998,4.3,26,81,0,1,1,8,12,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"THIOSULFURIC ACID (H2S2O3), LEAD(2+) SALT (1:1)",013478-50-7,33446,dioxido-oxo-sulfanylidene-lambda6-sulfane;lead(2+),[O-]S(=O)(=S)[O-].[Pb+2],"InChI=1S/H2O3S2.Pb/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+2/p-2",FKPGNMBJYBPNHL-UHFFFAOYSA-L,O3PbS2,319,319.90554,,104,82,0,0,4,0,6,,,1,1,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"GLYCINE, N-METHYL-, METHYL ESTER, HYDROCHLORIDE",013515-93-0,83544,methyl 2-(methylamino)acetate;hydrochloride,CNCC(=O)OC.Cl,"InChI=1S/C4H9NO2.ClH/c1-5-3-4(6)7-2;/h5H,3H2,1-2H3;1H",HQZMRJBVCVYVQA-UHFFFAOYSA-N,C4H10ClNO2,139.58,139.0400063,,38.3,62,0,2,3,3,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TELLURIC ACID (H2TEO4), LEAD(2+) SALT (1:1)",013845-35-7,61694,lead(2+) tellurate,[O-][Te](=O)(=O)[O-].[Pb+2],"InChI=1S/H2O4Te.Pb/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+2/p-2",MQZZLKHANGTWNE-UHFFFAOYSA-L,O4PbTe,399,401.86253,,80.3,62,0,0,4,0,6,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
ZINC AMMONIUM CHLORIDE [CAS NO. 014639-97-5],014639-97-5,61754,diazanium;tetrachlorozinc(2-),[NH4+].[NH4+].Cl[Zn-2](Cl)(Cl)Cl,InChI=1S/4ClH.2H3N.Zn/h4*1H;2*1H3;/q;;;;;;+2/p-2,QOQUXKCHSZSKOT-UHFFFAOYSA-L,Cl4H8N2Zn,243.3,241.870351,,2,19,0,2,1,0,7,,"644 °F at 760 mmHg (sublimes) (USCG, 1999)",1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"ETHANEDIOIC ACID, VANADIUM SALT",014974-48-2,167217,oxalate;vanadium(2+),C(=O)(C(=O)[O-])[O-].[V+2],"InChI=1S/C2H2O4.V/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2",KTWTWVHLJFWEBP-UHFFFAOYSA-L,C2O4V,138.96,138.923616,,80.3,60,0,0,4,0,7,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
CHROMIUM CHLORIDE HYDROXIDE (CRCL2(OH)),014982-80-0,84741,chromium(3+);dichloride;hydroxide,[OH-].[Cl-].[Cl-].[Cr+3],InChI=1S/2ClH.Cr.H2O/h2*1H;;1H2/q;;+3;/p-3,PTRDQJDHXDUJQE-UHFFFAOYSA-K,Cl2CrHO,139.91,138.88095,,1,0,0,1,3,0,4,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"DODECANOIC ACID, LEAD(2+) SALT",015773-55-4,161150,bis(dodecanoate);lead(2+),CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].[Pb+2],"InChI=1S/2C12H24O2.Pb/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2*2-11H2,1H3,(H,13,14);/q;;+2/p-2",YDKNIVGNQVFYPR-UHFFFAOYSA-L,C24H46O4Pb,606,606.31626,,80.3,127,0,0,4,18,29,,,0,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
MONOBUTYL PHOSPHITE,016456-56-7,6327918,butoxy-hydroxy-oxophosphanium,CCCCO[P+](=O)O,"InChI=1S/C4H9O3P/c1-2-3-4-7-8(5)6/h2-4H2,1H3/p+1",CERDIVAFXRCORQ-UHFFFAOYSA-O,C4H10O3P+,137.09,137.0367562,0.9,46.5,73,1,1,3,4,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"ACETIC ACID, (DIMETHYLAMINO)OXO-, ETHYL ESTER",016703-52-9,85553,ethyl 2-(dimethylamino)-2-oxoacetate,CCOC(=O)C(=O)N(C)C,"InChI=1S/C6H11NO3/c1-4-10-6(9)5(8)7(2)3/h4H2,1-3H3",HMALWDVRMHVUAW-UHFFFAOYSA-N,C6H11NO3,145.16,145.0738932,0.4,46.6,142,0,0,3,3,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0
"SULFURIC ACID, MONODODECYL ESTER, COMPD. WITH 1-AMINO-2-PROPANOL (1:1)",021142-28-9,161348,1-aminopropan-2-ol;dodecyl hydrogen sulfate,CCCCCCCCCCCCOS(=O)(=O)O.CC(CN)O,"InChI=1S/C12H26O4S.C3H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;1-3(5)2-4/h2-12H2,1H3,(H,13,14,15);3,5H,2,4H2,1H3",MWIRGWBFXMOUHM-UHFFFAOYSA-N,C15H35NO5S,341.5,341.2235944,,118,267,0,3,6,13,22,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"ETHANEDIOIC ACID, NIOBIUM SALT",021348-59-4,161353,niobium(2+);oxalate,C(=O)(C(=O)[O-])[O-].[Nb+2],"InChI=1S/C2H2O4.Nb/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2",NAIRZPRKOQHYBO-UHFFFAOYSA-L,C2NbO4,180.93,180.88603,,80.3,60,0,0,4,0,7,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
MONOBUTYLTIN TRIS(ISOOCTYL MERCAPTOACETATE),025852-70-4,33185,octan-2-yl 2-[butyl-bis[(2-octan-2-yloxy-2-oxoethyl)sulfanyl]stannyl]sulfanylacetate,CCCCCCC(C)OC(=O)CS[Sn](CCCC)(SCC(=O)OC(C)CCCCCC)SCC(=O)OC(C)CCCCCC,"InChI=1S/3C10H20O2S.C4H9.Sn/c3*1-3-4-5-6-7-9(2)12-10(11)8-13;1-3-4-2;/h3*9,13H,3-8H2,1-2H3;1,3-4H2,2H3;/q;;;;+3/p-3",BRMYOHUXFCDIHF-UHFFFAOYSA-K,C34H66O6S3Sn,785.8,786.304356,,155,653,0,0,9,33,44,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"8-OXA-3,5-DITHIA-4-STANNAEICOSANOIC ACID, 4-BUTYL-4-[[2-(DODECYLOXY)-2-OXOETHY",026292-98-8,168507,dodecyl 2-[butyl-bis[(2-dodecoxy-2-oxoethyl)sulfanyl]stannyl]sulfanylacetate,CCCCCCCCCCCCOC(=O)CS[Sn](CCCC)(SCC(=O)OCCCCCCCCCCCC)SCC(=O)OCCCCCCCCCCCC,"InChI=1S/3C14H28O2S.C4H9.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-16-14(15)13-17;1-3-4-2;/h3*17H,2-13H2,1H3;1,3-4H2,2H3;/q;;;;+3/p-3",XGQTTWHUFMHJMA-UHFFFAOYSA-K,C46H90O6S3Sn,954.1,954.492157,,155,777,0,0,9,48,56,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
COBALT NEODECANDATE,027253-31-2,24899422,"cobalt(2+);bis(2,2-dimethyloctanoate)",CCCCCCC(C)(C)C(=O)[O-].CCCCCCC(C)(C)C(=O)[O-].[Co+2],"InChI=1S/2C10H20O2.Co/c2*1-4-5-6-7-8-10(2,3)9(11)12;/h2*4-8H2,1-3H3,(H,11,12);/q;;+2/p-2",OPAGOSHJYNFXGD-UHFFFAOYSA-L,C20H38CoO4,401.4,401.210203,,80.3,133,0,0,4,10,25,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,1,1,0
3-(ISODECYLOXY)-1-PROPANAMINE ACETATE,028701-67-9,120012,acetic acid;3-(8-methylnonoxy)propan-1-amine,CC(C)CCCCCCCOCCCN.CC(=O)O,"InChI=1S/C13H29NO.C2H4O2/c1-13(2)9-6-4-3-5-7-11-15-12-8-10-14;1-2(3)4/h13H,3-12,14H2,1-2H3;1H3,(H,3,4)",BOKTVFODBQQGIH-UHFFFAOYSA-N,C15H33NO3,275.43,275.2460439,,72.6,146,0,2,4,11,19,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"BUTANEDIOIC ACID, OCTENYL-",028805-58-5,120057,4-oct-7-enoxy-4-oxobutanoic acid,C=CCCCCCCOC(=O)CCC(=O)O,"InChI=1S/C12H20O4/c1-2-3-4-5-6-7-10-16-12(15)9-8-11(13)14/h2H,1,3-10H2,(H,13,14)",GUOCOOQWZHQBJI-UHFFFAOYSA-N,C12H20O4,228.28,228.1361591,2.5,63.6,223,0,1,4,11,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-PROPANAMINE, 3-(ISONONYLOXY)-",029317-52-0,121810,3-(7-methyloctoxy)propan-1-amine,CC(C)CCCCCCOCCCN,"InChI=1S/C12H27NO/c1-12(2)8-5-3-4-6-10-14-11-7-9-13/h12H,3-11,13H2,1-2H3",HYEOYFUOERFWIX-UHFFFAOYSA-N,C12H27NO,201.35,201.2092645,3.2,35.3,104,0,1,2,10,14,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"1-PROPANAMINE, 3-(ISODECYLOXY)-",030113-45-2,120013,3-(8-methylnonoxy)propan-1-amine,CC(C)CCCCCCCOCCCN,"InChI=1S/C13H29NO/c1-13(2)9-6-4-3-5-7-11-15-12-8-10-14/h13H,3-12,14H2,1-2H3",DHIBIUNZWFPELU-UHFFFAOYSA-N,C13H29NO,215.38,215.2249145,3.7,35.3,115,0,1,2,11,15,,,1,0,0,1,1,0,1,1,0,0,0,0,0,0,0,0,1,1,1,1
"2-Propanol, 1-amino-3-chloro-, hydrochloride, (S)-",034839-13-9,135010,(2S)-1-amino-3-chloropropan-2-ol;hydrochloride,C([C@@H](CCl)O)N.Cl,"InChI=1S/C3H8ClNO.ClH/c4-1-3(6)2-5;/h3,6H,1-2,5H2;1H/t3-;/m1./s1",ZCPJBHYNOFIAPJ-AENDTGMFSA-N,C3H9Cl2NO,146.01,145.0061193,,46.3,34,0,3,2,2,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CARBONODITHIOIC ACID, O-(1-METHYLPROPYL) ESTER, SODIUM SALT",036551-21-0,23681184,sodium butan-2-yloxymethanedithioate,CCC(C)OC(=S)[S-].[Na+],"InChI=1S/C5H10OS2.Na/c1-3-4(2)6-5(7)8;/h4H,3H2,1-2H3,(H,7,8);/q;+1/p-1",LRHOHFCSKBRDFH-UHFFFAOYSA-M,C5H9NaOS2,172.2,171.9992515,,42.3,87,0,0,3,3,9,,,0,1,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,1,1,0
"CARBONIC ACID, AMMONIUM ZINC SALT (2:2:1)",040861-29-8,12893660,diazanium;zinc;dicarbonate,C(=O)([O-])[O-].C(=O)([O-])[O-].[NH4+].[NH4+].[Zn+2],"InChI=1S/2CH2O3.2H3N.Zn/c2*2-1(3)4;;;/h2*(H2,2,3,4);2*1H3;/q;;;;+2/p-2",HHICRQHZPBOQPI-UHFFFAOYSA-L,C2H8N2O6Zn,221.5,219.967378,,128,18,0,2,6,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BUTANEDIOIC ACID, OXO-, DIETHYL ESTER, ION(1-), SODIUM",040876-98-0,16663655,sodium diethyl 2-oxobutanedioate,CCOC(=O)[CH-]C(=O)C(=O)OCC.[Na+],"InChI=1S/C8H11O5.Na/c1-3-12-7(10)5-6(9)8(11)13-4-2;/h5H,3-4H2,1-2H3;/q-1;+1",JPTKZRPOIUYFTM-UHFFFAOYSA-N,C8H11NaO5,210.16,210.0504177,,69.7,214,0,0,6,7,14,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"METHANESULFONIC ACID, TIN(2+) SALT",053408-94-9,6452824,methanesulfonate;tin(2+),CS(=O)(=O)[O-].CS(=O)(=O)[O-].[Sn+2],"InChI=1S/2CH4O3S.Sn/c2*1-5(2,3)4;/h2*1H3,(H,2,3,4);/q;;+2/p-2",JALQQBGHJJURDQ-UHFFFAOYSA-L,C2H6O6S2Sn,308.9,309.862783,,131,79,0,0,6,0,11,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-HYDRO-.OMEGA.-HYDROXY-, ETHER WITH D-GLUCITO",053694-15-8,62213,"2-[2,3,4,5,6-pentakis(2-hydroxyethoxy)hexoxy]ethanol",C(COCC(C(C(C(COCCO)OCCO)OCCO)OCCO)OCCO)O,"InChI=1S/C18H38O12/c19-1-7-25-13-15(27-9-3-21)17(29-11-5-23)18(30-12-6-24)16(28-10-4-22)14-26-8-2-20/h15-24H,1-14H2",VDQWQTYEEJHNSB-UHFFFAOYSA-N,C18H38O12,446.5,446.2363266,-4.5,177,317,0,6,12,23,30,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-(2-CHLOROETHYL)-.OMEGA.-(DECYLOXY)-",061702-77-0,20788543,1-[2-(2-chloroethoxy)ethoxy]decane,CCCCCCCCCCOCCOCCCl,"InChI=1S/C14H29ClO2/c1-2-3-4-5-6-7-8-9-11-16-13-14-17-12-10-15/h2-14H2,1H3",WIQVVWQSIOTXIC-UHFFFAOYSA-N,C14H29ClO2,264.83,264.1856079,5.1,18.5,131,0,0,2,14,17,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANENITRILE, 3-[[3-(DIMETHYLAMINO)PROPYL]AMINO]-",069852-45-5,112322,3-[3-(dimethylamino)propylamino]propanenitrile,CN(C)CCCNCCC#N,"InChI=1S/C8H17N3/c1-11(2)8-4-7-10-6-3-5-9/h10H,3-4,6-8H2,1-2H3",YALMGFWDBZZMMB-UHFFFAOYSA-N,C8H17N3,155.24,155.1422476,-0.1,39.1,123,0,1,3,6,11,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
RUBIDIUM HYDROXIDE,001310-82-3,62393,rubidium(1+) hydroxide,[OH-].[Rb+],InChI=1S/H2O.Rb/h1H2;/q;+1/p-1,CPRMKOQKXYSDML-UHFFFAOYSA-M,HORb,102.475,101.9145294,,1,2,0,1,1,0,2,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
COPPER CITRATE,010402-15-0,61514,"copper 2-hydroxypropane-1,2,3-tricarboxylic acid",C(C(=O)O)C(CC(=O)O)(C(=O)O)O.[Cu+2],"InChI=1S/C6H8O7.Cu/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+2",QDUNDCWSEGVAAB-UHFFFAOYSA-N,C6H8CuO7+2,255.67,254.9566,,132,227,2,4,7,5,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"OLEYLAMINE, ETHOXYLATED",026635-93-8,22833323,2-[2-hydroxyethoxy-[(Z)-octadec-9-enyl]amino]oxyethanol,CCCCCCCC/C=C\CCCCCCCCN(OCCO)OCCO,"InChI=1S/C22H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26-21-19-24)27-22-20-25/h9-10,24-25H,2-8,11-22H2,1H3/b10-9-",JNHVXLWUCMXUNL-KTKRTIGZSA-N,C22H45NO4,387.6,387.3348589,6.9,62.2,292,0,2,5,22,27,,,1,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,0
"AMMONIUM 2,3,3,3-TETRAFLUORO-2-(HEPTAFLUOROPROPOXY)PROPANOATE",062037-80-3,51342034,"azanium 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate",C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)[O-].[NH4+],"InChI=1S/C6HF11O3.H3N/c7-2(1(18)19,4(10,11)12)20-6(16,17)3(8,9)5(13,14)15;/h(H,18,19);1H3",RJWVKMAIYPNUSL-UHFFFAOYSA-N,C6H4F11NO3,347.08,347.0015528,,50.4,377,0,1,14,3,21,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0
METHYLAMINE HYDROCHLORIDE,000593-51-1,6364545,methanamine;hydrochloride,CN.Cl,"InChI=1S/CH5N.ClH/c1-2;/h2H2,1H3;1H",NQMRYBIKMRVZLB-UHFFFAOYSA-N,CH6ClN,67.52,67.0188769,,26,2,0,2,1,0,3,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHACRYLAMIDE,000079-39-0,6595,2-methylprop-2-enamide,CC(=C)C(=O)N,"InChI=1S/C4H7NO/c1-3(2)4(5)6/h1H2,2H3,(H2,5,6)",FQPSGWSUVKBHSU-UHFFFAOYSA-N,C4H7NO,85.1,85.05276385,0.1,43.1,85,0,1,1,1,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1
PROPIONAMIDE,000079-05-0,6578,propanamide,CCC(=O)N,"InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)",QLNJFJADRCOGBJ-UHFFFAOYSA-N,C3H7NO,73.09,73.05276385,-0.7,43.1,42,0,1,1,1,5,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
2-ETHYLHEXYL BROMIDE,018908-66-2,86804,3-(bromomethyl)heptane,CCCCC(CC)CBr,"InChI=1S/C8H17Br/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3",NZWIYPLSXWYKLH-UHFFFAOYSA-N,C8H17Br,193.12,192.05136,4.5,0,52,0,0,0,5,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
RUTHENIUM CARBONYL,015243-33-1,6096991,carbon monoxide;ruthenium,[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Ru].[Ru].[Ru],InChI=1S/12CO.3Ru/c12*1-2;;;,NQZFAUXPNWSLBI-UHFFFAOYSA-N,C12O12Ru3,639.3,642.65431,,12,10,0,0,12,0,27,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAISOPROPYLTHIURAM DISULFIDE,004136-91-8,95876,"di(propan-2-yl)carbamothioylsulfanyl N,N-di(propan-2-yl)carbamodithioate",CC(C)N(C(C)C)C(=S)SSC(=S)N(C(C)C)C(C)C,"InChI=1S/C14H28N2S4/c1-9(2)15(10(3)4)13(17)19-20-14(18)16(11(5)6)12(7)8/h9-12H,1-8H3",ZUYREEAWHZRZDX-UHFFFAOYSA-N,C14H28N2S4,352.7,352.1135336,4.9,121,279,0,0,4,7,20,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HEXACHLOROACETONE,000116-16-5,8303,"1,1,1,3,3,3-hexachloropropan-2-one",C(=O)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,"InChI=1S/C3Cl6O/c4-2(5,6)1(10)3(7,8)9",DOJXGHGHTWFZHK-UHFFFAOYSA-N,C3Cl6O,264.7,263.805081,3.7,17.1,124,0,0,1,0,10,,202-204 °C,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
NEODYMIUM FLUORIDE,013709-42-7,83676,trifluoroneodymium,F[Nd](F)F,InChI=1S/3FH.Nd/h3*1H;/q;;;+3/p-3,XRADHEAKQRNYQQ-UHFFFAOYSA-K,F3Nd,201.24,198.90294,,0,8,0,0,3,0,4,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TITANIUM BORIDE,012045-63-5,92028754,,[B].B#[Ti],InChI=1S/2B.Ti,QYEXBYZXHDUPRC-UHFFFAOYSA-N,B2Ti,69.49,69.966551,,0,10,0,0,0,0,3,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PROPYLAMINE HYDROCHLORIDE,000556-53-6,11165,propan-1-amine;hydrochloride,CCCN.Cl,"InChI=1S/C3H9N.ClH/c1-2-3-4;/h2-4H2,1H3;1H",PYNUOAIJIQGACY-UHFFFAOYSA-N,C3H10ClN,95.57,95.050177,,26,7,0,2,1,1,5,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
COPPER CARBONATE,001184-64-1,14452,copper carbonate,C(=O)([O-])[O-].[Cu+2],"InChI=1S/CH2O3.Cu/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",GEZOTWYUIKXWOA-UHFFFAOYSA-L,CCuO3,123.55,122.914341,,63.2,18,0,0,3,0,5,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
3-MERCAPTOPROPYLTRIMETHOXYSILANE,004420-74-0,20473,3-trimethoxysilylpropane-1-thiol,CO[Si](CCCS)(OC)OC,"InChI=1S/C6H16O3SSi/c1-7-11(8-2,9-3)6-4-5-10/h10H,4-6H2,1-3H3",UUEWCQRISZBELL-UHFFFAOYSA-N,C6H16O3SSi,196.34,196.0589421,,28.7,89,0,1,4,6,11,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
POTASSIUM BIS(OXALATO)OXOTITANATE(IV) DIHYDRATE,014402-67-6,90479644,dipotassium;oxalate;oxygen(2-);titanium(4+);dihydrate,C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].O.O.[O-2].[K+].[K+].[Ti+4],"InChI=1S/2C2H2O4.2K.2H2O.O.Ti/c2*3-1(4)2(5)6;;;;;;/h2*(H,3,4)(H,5,6);;;2*1H2;;/q;;2*+1;;;-2;+4/p-4",GNRMKQMKBAJVLN-UHFFFAOYSA-J,C4H4K2O11Ti,354.13,353.8507146,,164,60,0,2,11,0,18,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TRIMETHYLENE CHLOROHYDRIN,000627-30-5,12313,3-chloropropan-1-ol,C(CO)CCl,"InChI=1S/C3H7ClO/c4-2-1-3-5/h5H,1-3H2",LAMUXTNQCICZQX-UHFFFAOYSA-N,C3H7ClO,94.54,94.0185425,0.5,20.2,16,0,1,1,2,5,"164 °F (NTP, 1992)","320 to 329 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ADA [BUFFERING AGENT],026239-55-4,117765,2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]acetic acid,C(C(=O)N)N(CC(=O)O)CC(=O)O,"InChI=1S/C6H10N2O5/c7-4(9)1-8(2-5(10)11)3-6(12)13/h1-3H2,(H2,7,9)(H,10,11)(H,12,13)",QZTKDVCDBIDYMD-UHFFFAOYSA-N,C6H10N2O5,190.15,190.0589714,-3.9,121,211,0,3,6,6,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"RHODIUM(III) 2,4-PENTANEDIONATE",014284-92-5,13783053,tris((Z)-4-oxopent-2-en-2-olate);rhodium(3+),C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Rh+3],"InChI=1S/3C5H8O2.Rh/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3/b3*4-3-;",DGOINFUDFBWCMX-LNTINUHCSA-K,C15H21O6Rh,400.23,400.03931,,120,90,0,0,6,3,22,,,0,1,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
CESIUM OXALATE,001068-63-9,13628982,dicesium;oxalate,C(=O)(C(=O)[O-])[O-].[Cs+].[Cs+],"InChI=1S/C2H2O4.2Cs/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;/q;2*+1/p-2",HEQUOWMMDQTGCX-UHFFFAOYSA-L,C2Cs2O4,353.83,353.7905624,,80.3,60,0,0,4,0,8,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PROPYL SULFONE,000598-03-8,11709,1-propylsulfonylpropane,CCCS(=O)(=O)CCC,"InChI=1S/C6H14O2S/c1-3-5-9(7,8)6-4-2/h3-6H2,1-2H3",JEXYCADTAFPULN-UHFFFAOYSA-N,C6H14O2S,150.24,150.0714509,1.4,42.5,129,0,0,2,4,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
D-CYSTINE,000349-46-2,6857538,(2S)-2-amino-3-[[(2S)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid,C([C@H](C(=O)O)N)SSC[C@H](C(=O)O)N,"InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m1/s1",LEVWYRKDKASIDU-QWWZWVQMSA-N,C6H12N2O4S2,240.3,240.0238492,-6.3,177,192,0,4,8,7,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GADOLINIUM OXALATE DECAHYDRATE,022992-15-0,156599357,hexakis(gadolinium(3+));oxalate;oxalic acid;triacontahydrate,C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Gd+3].[Gd+3].[Gd+3].[Gd+3].[Gd+3].[Gd+3],"InChI=1S/9C2H2O4.6Gd.30H2O/c9*3-1(4)2(5)6;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h9*(H,3,4)(H,5,6);;;;;;;30*1H2/q;;;;;;;;;6*+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-6",CAUXZCIYFNPHAP-UHFFFAOYSA-H,C18H72Gd6O66+12,2288.2,2287.77178,,718,725,12,42,66,1,90,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
YTTERBIUM OXALATE DECAHYDRATE,051373-68-3,164771,oxalate;bis(ytterbium(3+)),C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Yb+3].[Yb+3],"InChI=1S/3C2H2O4.2Yb/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6",FLJKBWKLGAYSFH-UHFFFAOYSA-H,C6O12Yb2,610.1,609.8142296,,241,60,0,0,12,0,20,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DISODIUM DIPHOSPHATE,007758-16-9,24451,disodium;[hydroxy(oxido)phosphoryl] hydrogen phosphate,OP(=O)([O-])OP(=O)(O)[O-].[Na+].[Na+],"InChI=1S/2Na.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+1;/p-2",GYQBBRRVRKFJRG-UHFFFAOYSA-L,H2Na2O7P2,221.94,221.907115,,130,143,0,2,7,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
AMMONIUM HEXACHLOROOSMATE(IV),012125-08-5,166617,diazanium;osmium(4+);hexachloride,[NH4+].[NH4+].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Os+4],InChI=1S/6ClH.2H3N.Os/h6*1H;2*1H3;/q;;;;;;;;+4/p-4,SRBXXQDKBKTWOC-UHFFFAOYSA-J,Cl6H8N2Os,439,439.84039,,2,0,0,2,6,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HEXARHODIUM HEXADECACARBONYL,028407-51-4,10866043,carbon monoxide;hexakis(rhodium),[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Rh].[Rh].[Rh].[Rh].[Rh].[Rh],InChI=1S/16CO.6Rh/c16*1-2;;;;;;,SZQABOJVTZVBHE-UHFFFAOYSA-N,C16O16Rh6,1065.59,1065.3516,,16,10,0,0,16,0,38,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PRASEODYMIUM OXALATE DECAHYDRATE,024992-60-7,165096,oxalate;bis(praseodymium(3+)),C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Pr+3].[Pr+3],"InChI=1S/3C2H2O4.2Pr/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6",UHTYDNCIXKPJDA-UHFFFAOYSA-H,C6O12Pr2,545.87,545.75429,,241,60,0,0,12,0,20,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM BUTYRATE,000156-54-7,5222465,sodium butanoate,CCCC(=O)[O-].[Na+],"InChI=1S/C4H8O2.Na/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);/q;+1/p-1",MFBOGIVSZKQAPD-UHFFFAOYSA-M,C4H7NaO2,110.09,110.0343737,,40.1,53,0,0,2,2,7,,,0,0,0,1,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,1
ARACHIDONIC ACID,000506-32-1,444899,"(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid",CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O,"InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-",YZXBAPSDXZZRGB-DOFZRALJSA-N,C20H32O2,304.5,304.2402303,6.3,37.3,362,0,1,2,14,22,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIISOOCTYLAMINE,025549-16-0,75991,"6-methyl-N,N-bis(6-methylheptyl)heptan-1-amine",CC(C)CCCCCN(CCCCCC(C)C)CCCCCC(C)C,"InChI=1S/C24H51N/c1-22(2)16-10-7-13-19-25(20-14-8-11-17-23(3)4)21-15-9-12-18-24(5)6/h22-24H,7-21H2,1-6H3",YKGBNAGNNUEZQC-UHFFFAOYSA-N,C24H51N,353.7,353.4021506,9.6,3.2,214,0,0,1,18,25,,,0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,1,1,1
VANADIUM CARBIDE,012070-10-9,159387,methane;vanadium,C.[V],InChI=1S/CH4.V/h1H4;,GORXZVFEOLUTMI-UHFFFAOYSA-N,CH4V,66.984,66.975258,,0,0,0,0,0,0,2,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DIGLYCOLIC ACID,000110-99-6,8088,2-(carboxymethoxy)acetic acid,C(C(=O)O)OCC(=O)O,"InChI=1S/C4H6O5/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)",QEVGZEDELICMKH-UHFFFAOYSA-N,C4H6O5,134.09,134.0215233,-0.7,83.8,104,0,2,5,4,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CETYLDIMETHYLETHYLAMMONIUM BROMIDE,000124-03-8,31280,ethyl-hexadecyl-dimethylazanium bromide,CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-],"InChI=1S/C20H44N.BrH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;/h5-20H2,1-4H3;1H/q+1;/p-1",VUFOSBDICLTFMS-UHFFFAOYSA-M,C20H44BrN,378.5,377.26571,,0,198,0,0,1,16,22,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BARIUM STEARATE,006865-35-6,197077,barium(2+);bis(octadecanoate),CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Ba+2],"InChI=1S/2C18H36O2.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2",AGXUVMPSUKZYDT-UHFFFAOYSA-L,C36H70BaO4,704.3,704.432658,,80.3,196,0,0,4,30,41,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
AMMONIUM FERROCYANIDE,014481-29-9,26708,tetraazanium;iron(2+);hexacyanide,[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[NH4+].[NH4+].[NH4+].[NH4+].[Fe+2],InChI=1S/6CN.Fe.4H3N/c6*1-2;;;;;/h;;;;;;;4*1H3/q6*-1;+2;;;;/p+4,ZXQVPEBHZMCRMC-UHFFFAOYSA-R,C6H16FeN10,284.1,284.090876,,147,10,0,4,12,0,17,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BARIUM IODIDE,013718-50-8,83684,barium(2+) diiodide,[I-].[I-].[Ba+2],InChI=1S/Ba.2HI/h;2*1H/q+2;;/p-2,SGUXGJPBTNFBAD-UHFFFAOYSA-L,BaI2,391.14,391.71419,,0,2,0,0,2,0,3,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
MANGANESE (II) FLUORIDE,007782-64-1,24528,difluoromanganese,F[Mn]F,InChI=1S/2FH.Mn/h2*1H;/q;;+2/p-2,CTNMMTCXUUFYAP-UHFFFAOYSA-L,F2Mn,92.93485,92.934849,,0,2,0,0,2,0,3,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AMMONIUM-15N CHLORIDE,039466-62-1,11051564,azanium chloride,[15NH4+].[Cl-],InChI=1S/ClH.H3N/h1H;1H3/i;1+1,NLXLAEXVIDQMFP-IEOVAKBOSA-N,ClH4N,54.48,54.0002617,,1,0,0,1,1,0,2,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
COPPER(II) HYDROXIDE PHOSPHATE,012158-74-6,166635,dicopper;hydroxide;phosphate,[OH-].[O-]P(=O)([O-])[O-].[Cu+2].[Cu+2],"InChI=1S/2Cu.H3O4P.H2O/c;;1-5(2,3)4;/h;;(H3,1,2,3,4);1H2/q2*+2;;/p-4",WCMHCPWEQCWRSR-UHFFFAOYSA-J,Cu2HO5P,239.07,237.815354,,87.3,36,0,1,5,0,8,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
SILVER ACETYLACETONATE,015525-64-1,11074572,(Z)-4-hydroxypent-3-en-2-one;silver,C/C(=C/C(=O)C)/O.[Ag],"InChI=1S/C5H8O2.Ag/c1-4(6)3-5(2)7;/h3,6H,1-2H3;/b4-3-;",LEUOXKLUFCTIIY-LNKPDPKZSA-N,C5H8AgO2,207.98,206.95752,,37.3,107,0,1,2,1,8,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE",034506-67-7,10072611,"[(2R)-2,3-di(hexanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate",CCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC,"InChI=1S/C20H40NO8P/c1-6-8-10-12-19(22)26-16-18(29-20(23)13-11-9-7-2)17-28-30(24,25)27-15-14-21(3,4)5/h18H,6-17H2,1-5H3/t18-/m1/s1",DVZARZBAWHITHR-GOSISDBHSA-N,C20H40NO8P,453.5,453.2491542,2.6,111,527,0,0,8,20,30,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,1,0
Barium Oxalate,000516-02-9,68201,barium(2+);oxalate,C(=O)(C(=O)[O-])[O-].[Ba+2],"InChI=1S/C2H2O4.Ba/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2",GXUARMXARIJAFV-UHFFFAOYSA-L,C2BaO4,225.35,225.884906,,80.3,60,0,0,4,0,7,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
3-HEXENEDINITRILE,001119-85-3,5324708,(E)-hex-3-enedinitrile,C(/C=C/CC#N)C#N,"InChI=1S/C6H6N2/c7-5-3-1-2-4-6-8/h1-2H,3-4H2/b2-1+",BSVZXPLUMFUWHW-OWOJBTEDSA-N,C6H6N2,106.13,106.0530982,0.2,47.6,141,0,0,2,2,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-OCTEN-3-ONE,004312-99-6,61346,oct-1-en-3-one,CCCCCC(=O)C=C,"InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4H,2-3,5-7H2,1H3",KLTVSWGXIAYTHO-UHFFFAOYSA-N,C8H14O,126.2,126.1044651,2.4,17.1,94,0,0,1,5,9,,59.00 to 60.00 °C. @ 16.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
INDIUM SULFIDE (IN2S3),012030-24-9,160966,bis(indium(3+));trisulfide,[S-2].[S-2].[S-2].[In+3].[In+3],InChI=1S/2In.3S/q2*+3;3*-2,SIXIBASSFIFHDK-UHFFFAOYSA-N,In2S3,325.8,325.7239711,,3,0,0,0,3,0,5,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ANTIMONY, COMPD. WITH MANGANESE (1:2)",012032-97-2,6336882,,[Mn].[Mn].[Sb],InChI=1S/2Mn.Sb,CMWGISPXZSHYPK-UHFFFAOYSA-N,Mn2Sb,231.636,230.7799,,0,0,0,0,0,0,3,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"D-RIBOSE, 5-(DIHYDROGEN PHOSPHATE), BARIUM SALT (1:1)",015673-79-7,85048,"barium(2+);[(2R,3R,4R)-2,3,4-trihydroxy-5-oxopentyl] phosphate",C([C@H]([C@H]([C@H](C=O)O)O)O)OP(=O)([O-])[O-].[Ba+2],"InChI=1S/C5H11O8P.Ba/c6-1-3(7)5(9)4(8)2-13-14(10,11)12;/h1,3-5,7-9H,2H2,(H2,10,11,12);/q;+2/p-2/t3-,4+,5-;/m0./s1",GWEBFOYVTFUYEC-VEGRVEBRSA-L,C5H9BaO8P,365.42,365.908751,,150,212,0,3,8,5,15,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BORON, ISOTOPE OF MASS 10",014798-12-0,6337058,boron-10,[10B],InChI=1S/B/i1-1,ZOXJGFHDIHLPTG-BJUDXGSMSA-N,B,10.0129369,10.0129369,,0,0,0,0,0,0,1,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"TRIS(2,2,3,3,4,4,5,5-OCTAFLUOROPENTYL) PHOSPHATE",000355-86-2,2778037,"tris(2,2,3,3,4,4,5,5-octafluoropentyl) phosphate",C(C(C(C(C(F)F)(F)F)(F)F)(F)F)OP(=O)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(F)F)(F)F)(F)F)(F)F,"InChI=1S/C15H9F24O4P/c16-4(17)10(28,29)13(34,35)7(22,23)1-41-44(40,42-2-8(24,25)14(36,37)11(30,31)5(18)19)43-3-9(26,27)15(38,39)12(32,33)6(20)21/h4-6H,1-3H2",BSOLVVCARHZLMT-UHFFFAOYSA-N,C15H9F24O4P,740.16,739.9855217,8.1,44.8,888,0,0,28,18,44,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
METHYL 4-BROMOBUTYRATE,004897-84-1,107604,methyl 4-bromobutanoate,COC(=O)CCCBr,"InChI=1S/C5H9BrO2/c1-8-5(7)3-2-4-6/h2-4H2,1H3",QAWFLJGZSZIZHO-UHFFFAOYSA-N,C5H9BrO2,181.03,179.97859,1.5,26.3,72,0,0,2,4,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
EUROPIUM(III) ACETYLACETONATE HYDRATE,181266-82-0,16212517,europium;tris((Z)-4-hydroxypent-3-en-2-one);hydrate,C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.O.[Eu],"InChI=1S/3C5H8O2.Eu.H2O/c3*1-4(6)3-5(2)7;;/h3*3,6H,1-2H3;;1H2/b3*4-3-;;",SBDZTTRWSNYRHZ-KJVLTGTBSA-N,C15H26EuO7,470.33,471.08909,,113,380,0,4,7,3,23,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(2H4)AMMONIUM CHLORIDE,012015-14-4,16211389,tetradeuterioazanium chloride,[2H][N+]([2H])([2H])[2H].[Cl-],InChI=1S/ClH.H3N/h1H;1H3/i/hD4,NLXLAEXVIDQMFP-JBISRTOLSA-N,ClH4N,57.51,57.0283338,,1,0,0,1,1,0,2,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
TRI-N-BUTYL-D27 PHOSPHATE,061196-26-7,124202817,"tris(1,1,2,2,3,3,4,4,4-nonadeuteriobutyl) phosphate",[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])OP(=O)(OC([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])OC([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H],"InChI=1S/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3/i1D3,2D3,3D3,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2",STCOOQWBFONSKY-DGRGSPICSA-N,C12H27O4P,293.48,293.3341685,2.9,44.8,175,0,0,4,12,17,,,0,0,1,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"N,N-DIETHYLACRYLAMIDE",002675-94-7,17583,"N,N-diethylprop-2-enamide",CCN(CC)C(=O)C=C,"InChI=1S/C7H13NO/c1-4-7(9)8(5-2)6-3/h4H,1,5-6H2,2-3H3",OVHHHVAVHBHXAK-UHFFFAOYSA-N,C7H13NO,127.18,127.099714,1,20.3,105,0,0,1,3,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
3-HYDROXYDODECANOIC ACID,001883-13-2,94216,3-hydroxydodecanoic acid,CCCCCCCCCC(CC(=O)O)O,"InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)",MUCMKTPAZLSKTL-UHFFFAOYSA-N,C12H24O3,216.32,216.1725446,3.6,57.5,157,0,2,3,10,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,8-DIISOCYANATOOCTANE",010124-86-4,2733321,"1,8-diisocyanatooctane",C(CCCCN=C=O)CCCN=C=O,InChI=1S/C10H16N2O2/c13-9-11-7-5-3-1-2-4-6-8-12-10-14/h1-8H2,QUPKOUOXSNGVLB-UHFFFAOYSA-N,C10H16N2O2,196.25,196.1211778,4.3,58.9,192,0,0,4,9,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-(2-BROMOISOBUTYRYLOXY)ETHYL METHACRYLATE,213453-08-8,21216988,2-(2-methylprop-2-enoyloxy)ethyl 2-bromo-2-methylpropanoate,CC(=C)C(=O)OCCOC(=O)C(C)(C)Br,"InChI=1S/C10H15BrO4/c1-7(2)8(12)14-5-6-15-9(13)10(3,4)11/h1,5-6H2,2-4H3",QXDYJUSFCUKOQD-UHFFFAOYSA-N,C10H15BrO4,279.13,278.01537,2.4,52.6,271,0,0,4,7,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-DIISOPROPYLUREA",004128-37-4,20084,"1,3-di(propan-2-yl)urea",CC(C)NC(=O)NC(C)C,"InChI=1S/C7H16N2O/c1-5(2)8-7(10)9-6(3)4/h5-6H,1-4H3,(H2,8,9,10)",BGRWYRAHAFMIBJ-UHFFFAOYSA-N,C7H16N2O,144.21,144.1262631,1,41.1,98,0,2,1,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-(BOC-AMINO)PROPYL BROMIDE,083948-53-2,4460490,tert-butyl N-(3-bromopropyl)carbamate,CC(C)(C)OC(=O)NCCCBr,"InChI=1S/C8H16BrNO2/c1-8(2,3)12-7(11)10-6-4-5-9/h4-6H2,1-3H3,(H,10,11)",IOKGWQZQCNXXLD-UHFFFAOYSA-N,C8H16BrNO2,238.12,237.03644,2,38.3,142,0,1,2,5,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHYL 2,4-DIOXOVALERATE",000615-79-2,69208,"ethyl 2,4-dioxopentanoate",CCOC(=O)C(=O)CC(=O)C,"InChI=1S/C7H10O4/c1-3-11-7(10)6(9)4-5(2)8/h3-4H2,1-2H3",OYQVQWIASIXXRT-UHFFFAOYSA-N,C7H10O4,158.15,158.0579088,0.2,60.4,183,0,0,4,5,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HENEICOSAFLUOROUNDECANOIC ACID,002058-94-8,77222,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecanoic acid",C(=O)(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,"InChI=1S/C11HF21O2/c12-2(13,1(33)34)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)32/h(H,33,34)",SIDINRCMMRKXGQ-UHFFFAOYSA-N,C11HF21O2,564.09,563.9641207,6.9,37.3,789,0,1,23,9,34,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
1-CHLORO-2-IODOETHANE,000624-70-4,136438,1-chloro-2-iodoethane,C(CI)Cl,InChI=1S/C2H4ClI/c3-1-2-4/h1-2H2,JTWWWQGSFTWWDL-UHFFFAOYSA-N,C2H4ClI,190.41,189.90463,1.9,0,10,0,0,0,1,4,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, 2-CHLORO-N,N-DI-2-PROPENYL-",000093-71-0,7157,"2-chloro-N,N-bis(prop-2-enyl)acetamide",C=CCN(CC=C)C(=O)CCl,"InChI=1S/C8H12ClNO/c1-3-5-10(6-4-2)8(11)7-9/h3-4H,1-2,5-7H2",MDBGGTQNNUOQRC-UHFFFAOYSA-N,C8H12ClNO,173.64,173.0607417,1.6,20.3,146,0,0,1,5,11,186 °C OC; 15 °C CC,"165 °F at 0.3 mmHg (NTP, 1992)",0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-PENTANONE, 4-METHYL-, OXIME",000105-44-2,7756,N-(4-methylpentan-2-ylidene)hydroxylamine,CC(C)CC(=NO)C,"InChI=1S/C6H13NO/c1-5(2)4-6(3)7-8/h5,8H,4H2,1-3H3",ZKALVNREMFLWAN-UHFFFAOYSA-N,C6H13NO,115.17,115.099714,1.5,32.6,86,0,1,2,2,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ACETONITRILE, (METHYLENEAMINO)-",000109-82-0,8015,2-(methylideneamino)acetonitrile,C=NCC#N,"InChI=1S/C3H4N2/c1-5-3-2-4/h1,3H2",GFZMFCVDDFHSJK-UHFFFAOYSA-N,C3H4N2,68.08,68.03744814,1.3,36.2,66,0,0,2,1,5,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHONIC ACID, ETHENYL-, BIS(2-CHLOROETHYL) ESTER",000115-98-0,8296,1-chloro-2-[2-chloroethoxy(ethenyl)phosphoryl]oxyethane,C=CP(=O)(OCCCl)OCCCl,"InChI=1S/C6H11Cl2O3P/c1-2-12(9,10-5-3-7)11-6-4-8/h2H,1,3-6H2",LHHMNJZNWUJFOC-UHFFFAOYSA-N,C6H11Cl2O3P,233.03,231.9822866,1.1,35.5,162,0,0,3,7,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BUTANEDIOIC ACID, CADMIUM SALT (1:1)",000141-00-4,8828,butanedioate;cadmium(2+),C(CC(=O)[O-])C(=O)[O-].[Cd+2],"InChI=1S/C4H6O4.Cd/c5-3(6)1-2-4(7)8;/h1-2H2,(H,5,6)(H,7,8);/q;+2/p-2",RHIAOOMCMLDTKE-UHFFFAOYSA-L,C4H4CdO4,228.49,229.914324,,80.3,81,0,0,4,1,9,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
MERPHOS,000150-50-5,9011,tris(butylsulfanyl)phosphane,CCCCSP(SCCCC)SCCCC,"InChI=1S/C12H27PS3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3",KLAPGAOQRZTCBI-UHFFFAOYSA-N,C12H27PS3,298.5,298.1012514,5,75.9,110,0,0,3,12,16,295 °F,115-134 °C @ 0.08 MM HG,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"HEPTANE, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-PENTADECAFLUORO-7-IODO-",000335-58-0,67633,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-iodoheptane",C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)I)(F)F)(F)F)(F)F,"InChI=1S/C7F15I/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)23",AHUMDLIBMIYQMU-UHFFFAOYSA-N,C7F15I,495.95,495.88052,6.1,0,445,0,0,15,5,23,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANAMIDE, 2-METHYL-",000563-83-7,68424,2-methylpropanamide,CC(C)C(=O)N,"InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)",WFKAJVHLWXSISD-UHFFFAOYSA-N,C4H9NO,87.12,87.06841391,0.2,43.1,58,0,1,1,1,6,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Carbamic acid, hydroxy-, ethyl ester",000589-41-3,11510,ethyl N-hydroxycarbamate,CCOC(=O)NO,"InChI=1S/C3H7NO3/c1-2-7-3(5)4-6/h6H,2H2,1H3,(H,4,5)",VGEWEGHHYWGXGG-UHFFFAOYSA-N,C3H7NO3,105.09,105.0425931,-0.2,58.6,63,0,2,3,2,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PENTANAMIDE,000626-97-1,12298,pentanamide,CCCCC(=O)N,"InChI=1S/C5H11NO/c1-2-3-4-5(6)7/h2-4H2,1H3,(H2,6,7)",IPWFJLQDVFKJDU-UHFFFAOYSA-N,C5H11NO,101.15,101.084064,0.7,43.1,61,0,1,1,3,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-PROPANOL, 3-IODO-",000627-32-7,69390,3-iodopropan-1-ol,C(CO)CI,"InChI=1S/C3H7IO/c4-2-1-3-5/h5H,1-3H2",CQVWOJSAGPFDQL-UHFFFAOYSA-N,C3H7IO,185.99,185.95416,1,20.2,16,0,1,1,2,5,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"UREA, N,N-DIETHYL-",000634-95-7,12472,"1,1-diethylurea",CCN(CC)C(=O)N,"InChI=1S/C5H12N2O/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3,(H2,6,8)",TUMNHQRORINJKE-UHFFFAOYSA-N,C5H12N2O,116.16,116.094963,-0.2,46.3,78,0,1,1,2,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANAMINIUM, N,N,N-TRIETHYL-, FLUORIDE",000665-46-3,69582,tetraethylazanium fluoride,CC[N+](CC)(CC)CC.[F-],"InChI=1S/C8H20N.FH/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1",QSUJAUYJBJRLKV-UHFFFAOYSA-M,C8H20FN,149.25,149.1579778,,0,47,0,0,1,4,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CARBAMOTHIOIC ACID, DIPROPYL-, S-ETHYL ESTER",000759-94-4,12968,"S-ethyl N,N-dipropylcarbamothioate",CCCN(CCC)C(=O)SCC,"InChI=1S/C9H19NOS/c1-4-7-10(8-5-2)9(11)12-6-3/h4-8H2,1-3H3",GUVLYNGULCJVDO-UHFFFAOYSA-N,C9H19NOS,189.32,189.1187354,3.2,45.6,122,0,0,2,6,12,116 °C (OPEN CUP),"261 °F at 20 mmHg (NTP, 1992)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,11-UNDECANEDIAMINE",000822-08-2,69966,"undecane-1,11-diamine",C(CCCCCN)CCCCCN,InChI=1S/C11H26N2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h1-13H2,KLNPWTHGTVSSEU-UHFFFAOYSA-N,C11H26N2,186.34,186.2095988,2.5,52,74,0,2,2,10,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"CARBAMIC ACID, 1-METHYLETHYL ESTER",001746-77-6,15628,propan-2-yl carbamate,CC(C)OC(=O)N,"InChI=1S/C4H9NO2/c1-3(2)7-4(5)6/h3H,1-2H3,(H2,5,6)",OVPLZYJGTGDFNB-UHFFFAOYSA-N,C4H9NO2,103.12,103.0633285,0.3,52.3,70,0,1,2,2,7,,183 °C,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"CARBAMIC ACID, 2-PROPENYL ESTER",002114-11-6,16454,prop-2-enyl carbamate,C=CCOC(=O)N,"InChI=1S/C4H7NO2/c1-2-3-7-4(5)6/h2H,1,3H2,(H2,5,6)",OCAAZRFBJBEVPS-UHFFFAOYSA-N,C4H7NO2,101.1,101.0476785,0.4,52.3,79,0,1,2,3,7,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Valeramide, 2-propyl-",002430-27-5,71113,2-propylpentanamide,CCCC(CCC)C(=O)N,"InChI=1S/C8H17NO/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H2,9,10)",OMOMUFTZPTXCHP-UHFFFAOYSA-N,C8H17NO,143.23,143.1310142,2.1,43.1,95,0,1,1,5,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHOSPHONIC ACID, [[BIS(2-HYDROXYETHYL)AMINO]METHYL]-, DIETHYL ESTER",002781-11-5,17722,2-[diethoxyphosphorylmethyl(2-hydroxyethyl)amino]ethanol,CCOP(=O)(CN(CCO)CCO)OCC,"InChI=1S/C9H22NO5P/c1-3-14-16(13,15-4-2)9-10(5-7-11)6-8-12/h11-12H,3-9H2,1-2H3",CCJKFLLIJCGHMO-UHFFFAOYSA-N,C9H22NO5P,255.25,255.1235598,-1,79.2,198,0,2,6,10,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANEDIOIC ACID, (1-ETHOXYETHYLIDENE)-, DIETHYL ESTER",003044-06-2,99520,diethyl 2-(1-ethoxyethylidene)propanedioate,CCOC(=C(C(=O)OCC)C(=O)OCC)C,"InChI=1S/C11H18O5/c1-5-14-8(4)9(10(12)15-6-2)11(13)16-7-3/h5-7H2,1-4H3",TWYCKMOLLPVQMA-UHFFFAOYSA-N,C11H18O5,230.26,230.1154237,1.9,61.8,260,0,0,5,8,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hexadecylamine, hydrofluoride",003151-59-5,18471,hexadecan-1-amine;hydrofluoride,CCCCCCCCCCCCCCCCN.F,"InChI=1S/C16H35N.FH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;/h2-17H2,1H3;1H",KMXTYZBQPJXGNK-UHFFFAOYSA-N,C16H36FN,261.46,261.2831783,,26,123,0,2,2,14,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"OCTADECANAMIDE, N-(HYDROXYMETHYL)-",003370-35-2,76896,N-(hydroxymethyl)octadecanamide,CCCCCCCCCCCCCCCCCC(=O)NCO,"InChI=1S/C19H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)20-18-21/h21H,2-18H2,1H3,(H,20,22)",JHOKTNSTUVKGJC-UHFFFAOYSA-N,C19H39NO2,313.5,313.2980795,7.4,49.3,231,0,2,2,17,22,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-PROPENAMIDE, N-(METHOXYMETHYL)-2-METHYL-",003644-12-0,77204,N-(methoxymethyl)-2-methylprop-2-enamide,CC(=C)C(=O)NCOC,"InChI=1S/C6H11NO2/c1-5(2)6(8)7-4-9-3/h1,4H2,2-3H3,(H,7,8)",YOZHLACIXDCHPV-UHFFFAOYSA-N,C6H11NO2,129.16,129.0789786,0.5,38.3,120,0,1,2,3,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Valeramide, 2-ethyl-3-methyl-",004171-13-5,20140,2-ethyl-3-methylpentanamide,CCC(C)C(CC)C(=O)N,"InChI=1S/C8H17NO/c1-4-6(3)7(5-2)8(9)10/h6-7H,4-5H2,1-3H3,(H2,9,10)",QRCJOCOSPZMDJY-UHFFFAOYSA-N,C8H17NO,143.23,143.1310142,1.9,43.1,112,0,1,1,4,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,3-PROPANETRICARBOXYLIC ACID, 2-HYDROXY-, MONOAMMONIUM SALT",004450-94-6,165228,"azanium 3-carboxy-3,5-dihydroxy-5-oxopentanoate",C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O.[NH4+],"InChI=1S/C6H8O7.H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H3",BWKOZPVPARTQIV-UHFFFAOYSA-N,C6H11NO7,209.15,209.0535517,,136,240,0,4,7,4,14,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"D-FRUCTOSE, 6-(DIHYDROGEN PHOSPHATE), BARIUM SALT (1:1)",006035-54-7,80136,"barium(2+);[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate",C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)([O-])[O-].[Ba+2],"InChI=1S/C6H13O9P.Ba/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;/h4-7,9-11H,1-2H2,(H2,12,13,14);/q;+2/p-2/t4-,5-,6-;/m1./s1",DJBNYGRIFMIHIS-RWOHWRPJSA-L,C6H11BaO9P,395.45,395.919316,,170,262,0,4,9,6,17,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"HYDRAZINE, (1,1-DIMETHYLETHYL)-, MONOHYDROCHLORIDE",007400-27-3,81889,tert-butylhydrazine;hydrochloride,CC(C)(C)NN.Cl,"InChI=1S/C4H12N2.ClH/c1-4(2,3)6-5;/h6H,5H2,1-3H3;1H",DDPWVABNMBRBFI-UHFFFAOYSA-N,C4H13ClN2,124.61,124.0767261,,38.1,35,0,3,2,1,7,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"PHOSPHORIC ACID, CHROMIUM(3+) SALT (1:1)",007789-04-0,62673,chromium(3+) phosphate,[O-]P(=O)([O-])[O-].[Cr+3],"InChI=1S/Cr.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3",IKZBVTPSNGOVRJ-UHFFFAOYSA-K,CrO4P,146.967,146.893925,,86.3,36,0,0,4,0,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
Sodium sulfite heptahydrate (2:1:7),010102-15-5,160916,disodium;sulfite;heptahydrate,O.O.O.O.O.O.O.[O-]S(=O)[O-].[Na+].[Na+],"InChI=1S/2Na.H2O3S.7H2O/c;;1-4(2)3;;;;;;;/h;;(H2,1,2,3);7*1H2/q2*+1;;;;;;;;/p-2",WMJRPJZQQSSDBU-UHFFFAOYSA-L,H14Na2O10S,252.15,252.0103064,,89.4,18,0,7,11,0,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANOIC ACID, 3-MERCAPTO-, 2-[(3-MERCAPTO-1-OXOPROPOXY)METHYL]-2-METHYL-1,3-",010312-58-0,82541,[2-methyl-3-(3-sulfanylpropanoyloxy)-2-(3-sulfanylpropanoyloxymethyl)propyl] 3-sulfanylpropanoate,CC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS,"InChI=1S/C14H24O6S3/c1-14(8-18-11(15)2-5-21,9-19-12(16)3-6-22)10-20-13(17)4-7-23/h21-23H,2-10H2,1H3",NNLQLBLYOHQHCV-UHFFFAOYSA-N,C14H24O6S3,384.5,384.073502,1.2,81.9,334,0,3,9,15,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
MOLYBDENUM NITRIDE (MON),012033-19-1,82830,azanylidynemolybdenum,N#[Mo],InChI=1S/Mo.N,GPBUGPUPKAGMDK-UHFFFAOYSA-N,MoN,109.96,111.908478,,23.8,10,0,0,1,0,2,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"SILICIC ACID (H2SIO3), CADMIUM SALT (1:1)",013477-19-5,166827,cadmium(2+);dioxido(oxo)silane,[O-][Si](=O)[O-].[Cd+2],InChI=1S/Cd.O3Si/c;1-4(2)3/q+2;-2,NCDKOFHLJFJLTB-UHFFFAOYSA-N,CdO3Si,188.5,189.865035,,63.2,18,0,0,3,0,5,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"PENTANENITRILE, 4-BROMO-",014470-12-3,85740,4-bromopentanenitrile,CC(CCC#N)Br,"InChI=1S/C5H8BrN/c1-5(6)3-2-4-7/h5H,2-3H2,1H3",HCHUIWDKAUWPJE-UHFFFAOYSA-N,C5H8BrN,162.03,160.98401,1.5,23.8,81,0,0,1,2,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(1-HYDROXYETHYLIDENE)BISPHOSPHONIC ACID TETRAPOTASSIUM SALT,014860-53-8,26938,"tetrapotassium;1,1-diphosphonatoethanol",CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-].[K+].[K+].[K+].[K+],"InChI=1S/C2H8O7P2.4K/c1-2(3,10(4,5)6)11(7,8)9;;;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;;;/q;4*+1/p-4",DHQZXBINJKHIPR-UHFFFAOYSA-J,C2H4K4O7P2,358.39,357.7980524,,147,188,0,1,7,0,15,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"PENTANOIC ACID, 3-ACETYL-4-OXO-, ETHYL ESTER",018835-02-4,87820,ethyl 3-acetyl-4-oxopentanoate,CCOC(=O)CC(C(=O)C)C(=O)C,"InChI=1S/C9H14O4/c1-4-13-9(12)5-8(6(2)10)7(3)11/h8H,4-5H2,1-3H3",NKGFIBABDQHCHZ-UHFFFAOYSA-N,C9H14O4,186.2,186.0892089,0,60.4,206,0,0,4,6,13,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"MAGNESIUM, BIS(2-HYDROXYPROPANOATO-O1,O2)-, (T-4)-",018917-93-6,6536825,magnesium bis(2-hydroxypropanoate),CC(C(=O)[O-])O.CC(C(=O)[O-])O.[Mg+2],"InChI=1S/2C3H6O3.Mg/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2",OVGXLJDWSLQDRT-UHFFFAOYSA-L,C6H10MgO6,202.45,202.0327797,,121,53,0,2,6,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PLATINATE(2-), HEXAKIS(THIOCYANATO-S)-, DIAMMONIUM, (OC-6-11)-",019372-45-3,167805,diazanium;platinum(4+);hexathiocyanate,C(#N)[S-].C(#N)[S-].C(#N)[S-].C(#N)[S-].C(#N)[S-].C(#N)[S-].[NH4+].[NH4+].[Pt+4],InChI=1S/6CHNS.2H3N.Pt/c6*2-1-3;;;/h6*3H;2*1H3;/q;;;;;;;;+4/p-4,VXNSIKCPSLASGA-UHFFFAOYSA-J,C6H8N8PtS6,579.7,578.884414,,151,31,0,2,12,0,21,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANOIC ACID, MANGANESE(2+) SALT",021129-18-0,12054679,manganese(2+);propanoate,CCC(=O)[O-].CCC(=O)[O-].[Mn+2],"InChI=1S/2C3H6O2.Mn/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+2/p-2",ZGIHUCQOMWIMKH-UHFFFAOYSA-L,C6H10MnO4,201.08,200.995952,,80.3,34,0,0,4,0,11,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
RHODIUM HYDROXIDE (RH(OH)3),021656-02-0,88993,rhodium(3+) trihydroxide,[OH-].[OH-].[OH-].[Rh+3],InChI=1S/3H2O.Rh/h3*1H2;/q;;;+3/p-3,KTEDZFORYFITAF-UHFFFAOYSA-K,H3O3Rh,153.928,153.91371,,3,0,0,3,3,0,4,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHANEDITHIOL,026914-40-9,33645,"ethane-1,1-dithiol",CC(S)S,"InChI=1S/C2H6S2/c1-2(3)4/h2-4H,1H3",DHBXNPKRAUYBTH-UHFFFAOYSA-N,C2H6S2,94.2,93.99109254,1.3,2,11,0,2,2,0,4,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANOIC ACID, 3-MERCAPTO-, OCTADECYL ESTER",031778-15-1,169361,octadecyl 3-sulfanylpropanoate,CCCCCCCCCCCCCCCCCCOC(=O)CCS,"InChI=1S/C21H42O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-21(22)18-20-24/h24H,2-20H2,1H3",UCUPUEARJPTGKU-UHFFFAOYSA-N,C21H42O2S,358.6,358.2905518,9.1,27.3,256,0,1,3,20,24,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"THIOCYANIC ACID, 3-(TRIETHOXYSILYL)PROPYL ESTER",034708-08-2,118718,3-triethoxysilylpropyl thiocyanate,CCO[Si](CCCSC#N)(OCC)OCC,"InChI=1S/C10H21NO3SSi/c1-4-12-16(13-5-2,14-6-3)9-7-8-15-10-11/h4-9H2,1-3H3",HKMVWLQFAYGKSI-UHFFFAOYSA-N,C10H21NO3SSi,263.43,263.1011412,,76.8,202,0,0,5,10,16,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANAMINIUM, N,N,N-TRIMETHYL-2-[(1-OXO-2-PROPENYL)OXY]-, CHLORIDE",044992-01-0,162071,trimethyl(2-prop-2-enoyloxyethyl)azanium chloride,C[N+](C)(C)CCOC(=O)C=C.[Cl-],"InChI=1S/C8H16NO2.ClH/c1-5-8(10)11-7-6-9(2,3)4;/h5H,1,6-7H2,2-4H3;1H/q+1;/p-1",FZGFBJMPSHGTRQ-UHFFFAOYSA-M,C8H16ClNO2,193.67,193.0869564,,26.3,147,0,0,3,5,12,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"2-NONENENITRILE, 3-METHYL-",053153-66-5,5875646,(E)-3-methylnon-2-enenitrile,CCCCCC/C(=C/C#N)/C,"InChI=1S/C10H17N/c1-3-4-5-6-7-10(2)8-9-11/h8H,3-7H2,1-2H3/b10-8+",MQAQVKBUJPAQIG-CSKARUKUSA-N,C10H17N,151.25,151.1360995,4,23.8,159,0,0,1,5,11,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,1
(3-METHYLBUTOXY)ACETIC ACID 2-PROPENYL ESTER,067634-00-8,106729,prop-2-enyl 2-(3-methylbutoxy)acetate,CC(C)CCOCC(=O)OCC=C,"InChI=1S/C10H18O3/c1-4-6-13-10(11)8-12-7-5-9(2)3/h4,9H,1,5-8H2,2-3H3",XCWPXUNHSPOFGV-UHFFFAOYSA-N,C10H18O3,186.25,186.1255944,2.3,35.5,152,0,0,3,8,13,"154 °F (NTP, 1992)",,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"9-OCTADECENOIC ACID (Z)-, (DIMETHYLSTANNYLENE)BIS(THIO-2,1-ETHANEDIYL) ESTER",067859-63-6,9576106,2-[dimethyl-[2-[(Z)-octadec-9-enoyl]oxyethylsulfanyl]stannyl]sulfanylethyl (Z)-octadec-9-enoate,CCCCCCCC/C=C\CCCCCCCC(=O)OCCS[Sn](SCCOC(=O)CCCCCCC/C=C\CCCCCCCC)(C)C,"InChI=1S/2C20H38O2S.2CH3.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)22-18-19-23;;;/h2*9-10,23H,2-8,11-19H2,1H3;2*1H3;/q;;;;+2/p-2/b2*10-9-;;;",MFXDUVSSNLTXGV-BGSQTJHASA-L,C42H80O4S2Sn,831.9,832.452006,,103,725,0,0,6,40,49,,,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"HEXANOIC ACID, 3,5,5-TRIMETHYL-, IRON SALT",068213-78-5,109219,"iron(2+);bis(3,5,5-trimethylhexanoate)",CC(CC(=O)[O-])CC(C)(C)C.CC(CC(=O)[O-])CC(C)(C)C.[Fe+2],"InChI=1S/2C9H18O2.Fe/c2*1-7(5-8(10)11)6-9(2,3)4;/h2*7H,5-6H2,1-4H3,(H,10,11);/q;;+2/p-2",SKOOLUFPOXGGRL-UHFFFAOYSA-L,C18H34FeO4,370.3,370.180645,,80.3,127,0,0,4,6,23,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"HEXANAMIDE, N,N,2-TRIETHYL-",070024-54-3,112187,"N,N,2-triethylhexanamide",CCCCC(CC)C(=O)N(CC)CC,"InChI=1S/C12H25NO/c1-5-9-10-11(6-2)12(14)13(7-3)8-4/h11H,5-10H2,1-4H3",LYGCLXFQIQORSE-UHFFFAOYSA-N,C12H25NO,199.33,199.1936144,3.3,20.3,152,0,0,1,7,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"TRICHLOROMETHYLPHOSPHONIC ACID,DIETHYL ESTER",000866-23-9,70085,1-[ethoxy(trichloromethyl)phosphoryl]oxyethane,CCOP(=O)(C(Cl)(Cl)Cl)OCC,"InChI=1S/C5H10Cl3O3P/c1-3-10-12(9,11-4-2)5(6,7)8/h3-4H2,1-2H3",RVAQSYWDOSHWGP-UHFFFAOYSA-N,C5H10Cl3O3P,255.5,253.943314,2.2,35.5,169,0,0,3,4,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
COPPER OXALATE HYDRATE,055671-32-4,91886427,copper;oxalic acid;hydrate,C(=O)(C(=O)O)O.O.[Cu],"InChI=1S/C2H2O4.Cu.H2O/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;1H2",MVQXYRGATWAHNR-UHFFFAOYSA-N,C2H4CuO5,171.6,170.93547,,75.6,75,0,3,5,0,8,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PENTANE-2,4-DIONE, MONOLITHIUM SALT",018115-70-3,5369849,lithium (Z)-4-oxopent-2-en-2-olate,[Li+].C/C(=C/C(=O)C)/[O-],"InChI=1S/C5H8O2.Li/c1-4(6)3-5(2)7;/h3,6H,1-2H3;/q;+1/p-1/b4-3-;",JTEOOCAGEXVCBQ-LNKPDPKZSA-M,C5H7LiO2,106.1,106.0606079,,40.1,107,0,0,2,1,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
AMMONIUM HEXAFLUORONIOBATE,012062-13-4,3084103,azanium;pentafluoroniobium;fluoride,[NH4+].[F-].F[Nb](F)(F)(F)F,InChI=1S/6FH.H3N.Nb/h6*1H;1H3;/q;;;;;;;+5/p-5,SKIHFCFFRXCIJA-UHFFFAOYSA-I,F6H4NNb,224.936,224.93117,,1,37,0,1,6,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANESULFINIC ACID, 2-[1-[DIFLUORO[(TRIFLUOROETHENYL)OXY]METHYL]-1,2,2,2-TETR",070815-05-3,435496,ethanesulfinic acid,CCS(=O)O,"InChI=1S/C2H6O2S/c1-2-5(3)4/h2H2,1H3,(H,3,4)",RQIFXTOWUNAUJC-UHFFFAOYSA-N,C2H6O2S,94.14,94.0088506,-0.2,56.5,42,0,1,3,1,5,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DISODIUM EDTA, DIHYDRATE",006381-92-9,13020083,disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate,C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)O.[Na+].[Na+],"InChI=1S/C10H16N2O8.2Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;/q;2*+1/p-2",ZGTMUACCHSMWAC-UHFFFAOYSA-L,C10H14N2Na2O8,336.21,336.054554,,161,340,0,2,10,9,22,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
3-ISOCYANATOPROPYLTRIETHOXYSILANE,024801-88-5,90613,triethoxy(3-isocyanatopropyl)silane,CCO[Si](CCCN=C=O)(OCC)OCC,"InChI=1S/C10H21NO4Si/c1-4-13-16(14-5-2,15-6-3)9-7-8-11-10-12/h4-9H2,1-3H3",FRGPKMWIYVTFIQ-UHFFFAOYSA-N,C10H21NO4Si,247.36,247.1239847,,57.1,202,0,0,5,10,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,0
THULIUM OXALATE,003269-17-8,165099,oxalate;bis(thulium(3+)),C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Tm+3].[Tm+3],"InChI=1S/3C2H2O4.2Tm/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6",BSCZSHAJTJRUPP-UHFFFAOYSA-H,C6O12Tm2,601.92,601.80741,,241,60,0,0,12,0,20,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Beryllium Alluminum Silicate,001302-52-9,14767,dialuminum;triberyllium;hexakis(dioxido(oxo)silane),[Be+2].[Be+2].[Be+2].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[Al+3].[Al+3],InChI=1S/2Al.3Be.6O3Si/c;;;;;6*1-4(2)3/q2*+3;3*+2;6*-2,NJJFVOQXYCEZLO-UHFFFAOYSA-N,Al2Be3O18Si6,537.5,536.769648,,379,18,0,0,18,0,29,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANEDIOIC ACID, SCANDIUM(3+) SALT (3:2)",013419-51-7,166803,oxalate;bis(scandium(3+)),C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Sc+3].[Sc+3],"InChI=1S/3C2H2O4.2Sc/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6",OMMFSGNJZPSNEH-UHFFFAOYSA-H,C6O12Sc2,353.97,353.85079,,241,60,0,0,12,0,20,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHOSPHOROFLUORIDIC ACID, CALCIUM SALT (1:1)",007789-74-4,9920401,calcium fluoro-dioxido-oxo-lambda5-phosphane,[O-]P(=O)([O-])F.[Ca+2],"InChI=1S/Ca.FH2O3P/c;1-5(2,3)4/h;(H2,2,3,4)/q+2;/p-2",GFIKIVSYJDVOOZ-UHFFFAOYSA-L,CaFO3P,138.05,137.9194999,,63.2,49,0,0,4,0,6,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ZINC BIS(TETRAFLUOROBORATE),013826-88-5,9881215,zinc ditetrafluoroborate,[B-](F)(F)(F)F.[B-](F)(F)(F)F.[Zn+2],"InChI=1S/2BF4.Zn/c2*2-1(3,4)5;/q2*-1;+2",BUMIVIYHDVNOQE-UHFFFAOYSA-N,B2F8Zn,239,237.934977,,0,19,0,0,10,0,11,,"212 °F at 760 mmHg (approx.) (USCG, 1999)",0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"TETRAFLUOROBORATE(1-), COBALT(2+) (2:1)",026490-63-1,62811,cobalt(2+) ditetrafluoroborate,[B-](F)(F)(F)F.[B-](F)(F)(F)F.[Co+2],"InChI=1S/2BF4.Co/c2*2-1(3,4)5;/q2*-1;+2",SSIMDEJNGHHZCA-UHFFFAOYSA-N,B2CoF8,232.55,232.939029,,0,19,0,0,10,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"(S)-3,3-DIMETHYL-2-(2,2,2 TRI-FLUOROACETAMIDO)BUTANOIC ACID",666832-71-9,61143129,"(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid",CC(C)(C)[C@@H](C(=O)O)NC(=O)C(F)(F)F,"InChI=1S/C8H12F3NO3/c1-7(2,3)4(5(13)14)12-6(15)8(9,10)11/h4H,1-3H3,(H,12,15)(H,13,14)/t4-/m1/s1",FCTPLAZWXGEGKO-SCSAIBSYSA-N,C8H12F3NO3,227.18,227.0769277,2,66.4,267,0,2,6,3,15,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"1,3-DIETHYL-2-THIOUREA",000105-55-5,2735009,"1,3-diethylthiourea",CCNC(=S)NCC,"InChI=1S/C5H12N2S/c1-3-6-5(8)7-4-2/h3-4H2,1-2H3,(H2,6,7,8)",FLVIGYVXZHLUHP-UHFFFAOYSA-N,C5H12N2S,132.23,132.0721196,0.6,56.2,64,0,2,1,2,8,,"Decomposes (NTP, 1992)",0,1,0,1,0,1,1,1,0,0,0,0,0,0,0,0,0,1,1,1
PENTADECAFLUOROOCTANOIC ACID SODIUM SALT,000335-95-5,23667657,"sodium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate",C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)[O-].[Na+],"InChI=1S/C8HF15O2.Na/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h(H,24,25);/q;+1/p-1",LWHQXUODFPPQTL-UHFFFAOYSA-M,C8F15NaO2,436.05,435.955646,,40.1,536,0,0,17,6,26,,,0,0,1,1,0,1,0,1,0,0,0,0,0,1,0,0,1,0,1,1
"OCTANOIC ACID, PENTADECAFLUORO-, ETHYL ESTER",003108-24-5,76555,"ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate",CCOC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C10H5F15O2/c1-2-27-3(26)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h2H2,1H3",JTOFFHFAQBLPTM-UHFFFAOYSA-N,C10H5F15O2,442.12,442.0050018,5.5,26.3,561,0,0,17,8,27,,,0,0,1,1,0,1,0,1,0,0,0,0,0,1,0,0,1,0,1,1
"ANTIMONY, COMPD. WITH ZINC (1:1)",012039-35-9,6336886,antimony;zinc,[Zn].[Sb],InChI=1S/Sb.Zn,CZJCMXPZSYNVLP-UHFFFAOYSA-N,SbZn,187.1,184.83295,,0,0,0,0,0,0,2,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"ANTIMONY, COMPD. WITH COBALT (1:1)",012052-42-5,6335271,antimony;cobalt(3+),[Co+3].[Sb],InChI=1S/Co.Sb/q+3;,NSRGWYQTFLSLOJ-UHFFFAOYSA-N,CoSb+3,180.693,179.837,,0,0,3,0,0,0,2,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"BORATE(1-), TRIFLUOROHYDROXY-, HYDROGEN, (T-4)-",016903-52-9,61591,trifluoroborane;dihydrate,B(F)(F)F.O.O,InChI=1S/BF3.2H2O/c2-1(3)4;;/h;2*1H2,MJCYPBSRKLJZTB-UHFFFAOYSA-N,BF3H4O2,103.84,104.025644,,2,8,0,2,5,0,6,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
D-SORBITOL 6-PHOSPHATE BARIUM,108392-12-7,21123134,"[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl] phosphate",C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O)O)O,"InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/p-2/t3-,4+,5+,6+/m0/s1",GACTWZZMVMUKNG-SLPGGIOYSA-L,C6H13O9P-2,260.14,260.029719,-4.4,174,229,-2,5,9,6,16,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
LITHOPONE,,19765934,zinc;barium(2+);sulfate;sulfide,[O-]S(=O)(=O)[O-].[S-2].[Zn+2].[Ba+2],"InChI=1S/Ba.H2O4S.S.Zn/c;1-5(2,3)4;;/h;(H2,1,2,3,4);;/q+2;;-2;+2/p-2",FMZMCVJBXLTPLT-UHFFFAOYSA-L,BaO4S2Zn,330.8,329.75819,,89.6,62,0,0,5,0,8,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CYANOACETIC ACID,000372-09-8,9740,2-cyanoacetic acid,C(C#N)C(=O)O,"InChI=1S/C3H3NO2/c4-2-1-3(5)6/h1H2,(H,5,6)",MLIREBYILWEBDM-UHFFFAOYSA-N,C3H3NO2,85.06,85.01637834,-0.8,61.1,98,0,1,3,1,6,,108 °C at 15 mm Hg,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
EDTA POTASSIUM SALT,007379-27-3,62595,tetrapotassium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate,C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[K+].[K+].[K+].[K+],"InChI=1S/C10H16N2O8.4K/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;/q;4*+1/p-4",JZBRFIUYUGTUGG-UHFFFAOYSA-J,C10H12K4N2O8,444.6,443.9141913,,167,293,0,0,10,7,24,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0
2-ETHYL-1-BUTANOL,000097-95-0,7358,2-ethylbutan-1-ol,CCC(CC)CO,"InChI=1S/C6H14O/c1-3-6(4-2)5-7/h6-7H,3-5H2,1-2H3",TZYRSLHNPKPEFV-UHFFFAOYSA-N,C6H14O,102.17,102.1044651,1.6,20.2,31,0,1,1,3,7,"128 °F (USCG, 1999)","293 °F at 760 mmHg (USCG, 1999)",0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ETHYL OXALATE,000095-92-1,7268,diethyl oxalate,CCOC(=O)C(=O)OCC,"InChI=1S/C6H10O4/c1-3-9-5(7)6(8)10-4-2/h3-4H2,1-2H3",WYACBZDAHNBPPB-UHFFFAOYSA-N,C6H10O4,146.14,146.0579088,0.6,52.6,114,0,0,4,5,10,"168 °F (NFPA, 2010)",185.7 °C @ 760 MM HG,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
2-N-DIBUTYLAMINOETHANOL,000102-81-8,7621,2-(dibutylamino)ethanol,CCCCN(CCCC)CCO,"InChI=1S/C10H23NO/c1-3-5-7-11(9-10-12)8-6-4-2/h12H,3-10H2,1-2H3",IWSZDQRGNFLMJS-UHFFFAOYSA-N,C10H23NO,173.3,173.1779644,2.1,23.5,77,0,1,2,8,12,"210 °F (NTP, 1992)","435 to 450 °F at 760 mmHg (NTP, 1992)",0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CARBONODITHIOIC ACID, O-(1-METHYLETHYL) ESTER, SODIUM SALT",000140-93-2,23690438,sodium propan-2-yloxymethanedithioate,CC(C)OC(=S)[S-].[Na+],"InChI=1S/C4H8OS2.Na/c1-3(2)5-4(6)7;/h3H,1-2H3,(H,6,7);/q;+1/p-1",IRZFQKXEKAODTJ-UHFFFAOYSA-M,C4H7NaOS2,158.2,157.9836015,,42.3,74,0,0,3,2,8,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
ETHANOLAMINE,000141-43-5,700,2-aminoethanol,C(CO)N,"InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2",HZAXFHJVJLSVMW-UHFFFAOYSA-N,C2H7NO,61.08,61.05276385,-1.3,46.3,10,0,2,2,1,4,"200 °F (NTP, 1992)","338 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
N-ETHYL-N-METHYLCARBAMIC CHLORIDE,042252-34-6,11240471,N-ethyl-N-methylcarbamoyl chloride,CCN(C)C(=O)Cl,"InChI=1S/C4H8ClNO/c1-3-6(2)4(5)7/h3H2,1-2H3",XZVYDRLPXWFRIS-UHFFFAOYSA-N,C4H8ClNO,121.56,121.0294416,1.2,20.3,74,0,0,1,1,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NEODECANOYL CHLORIDE,040292-82-8,94502,"7,7-dimethyloctanoyl chloride",CC(C)(C)CCCCCC(=O)Cl,"InChI=1S/C10H19ClO/c1-10(2,3)8-6-4-5-7-9(11)12/h4-8H2,1-3H3",WOFMVUZGDHWHLJ-UHFFFAOYSA-N,C10H19ClO,190.71,190.1124429,4.4,17.1,135,0,0,1,6,12,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
NALED,000300-76-5,4420,"(1,2-dibromo-2,2-dichloroethyl) dimethyl phosphate",COP(=O)(OC)OC(C(Cl)(Cl)Br)Br,"InChI=1S/C4H7Br2Cl2O4P/c1-10-13(9,11-2)12-3(5)4(6,7)8/h3H,1-2H3",BUYMVQAILCEWRR-UHFFFAOYSA-N,C4H7Br2Cl2O4P,380.78,379.78053,2.5,44.8,206,0,0,4,5,13,,"392 °F at 760 mmHg approx. (USCG, 1999)",1,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TRICHLORFON,000052-68-6,5853,"2,2,2-trichloro-1-dimethoxyphosphorylethanol",COP(=O)(C(C(Cl)(Cl)Cl)O)OC,"InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3",NFACJZMKEDPNKN-UHFFFAOYSA-N,C4H8Cl3O4P,257.43,255.922579,0.5,55.8,183,0,1,4,3,12,,"212 °F at 0.1 mmHg (NTP, 1992)",1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
FORMALDEHYDE (SOLUTIONS),000050-00-0,712,formaldehyde,C=O,InChI=1S/CH2O/c1-2/h1H2,WSFSSNUMVMOOMR-UHFFFAOYSA-N,CH2O,30.026,30.01056468,1.2,17.1,2,0,0,1,0,2,"140 °F for 40% solution (EPA, 1998)","-6 °F at 760 mmHg (NIOSH, 2024)",0,0,1,1,0,1,0,0,0,0,1,0,0,0,0,0,1,1,0,0
"1,6-HEXANEDIAMINE",000124-09-4,16402,"hexane-1,6-diamine",C(CCCN)CCN,InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2,NAQMVNRVTILPCV-UHFFFAOYSA-N,C6H16N2,116.2,116.1313485,-0.2,52,31,0,2,2,5,8,"178 °F (NTP, 1992)","401 °F at 760 mmHg (NTP, 1992)",0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
3-IODO-2-PROPYNYL BUTYLCARBAMATE,055406-53-6,62097,3-iodoprop-2-ynyl N-butylcarbamate,CCCCNC(=O)OCC#CI,"InChI=1S/C8H12INO2/c1-2-3-6-10-8(11)12-7-4-5-9/h2-3,6-7H2,1H3,(H,10,11)",WYVVKGNFXHOCQV-UHFFFAOYSA-N,C8H12INO2,281.09,280.99128,2.1,38.3,192,0,1,2,5,12,,,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,1,0
LEAD(II) FLUORIDE,007783-46-2,24549,difluorolead,F[Pb]F,InChI=1S/2FH.Pb/h2*1H;/q;;+2/p-2,FPHIOHCCQGUGKU-UHFFFAOYSA-L,F2Pb,245,245.97346,,0,2,0,0,2,0,3,,1293 °C,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
L-TARTARIC ACID,000087-69-4,444305,"(2R,3R)-2,3-dihydroxybutanedioic acid",[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,"InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1",FEWJPZIEWOKRBE-JCYAYHJZSA-N,C4H6O6,150.09,150.0164379,-1.9,115,134,0,4,6,3,10,210 °C c.c.,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
DIOCTYL SODIUM SULFOSUCCINATE,000577-11-7,23673837,"sodium 1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate",CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].[Na+],"InChI=1S/C20H38O7S.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1",APSBXTVYXVQYAB-UHFFFAOYSA-M,C20H37NaO7S,444.6,444.215769,,118,546,0,0,7,18,29,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
LITHIUM IODIDE,010377-51-2,66321,lithium iodide,[Li+].[I-],InChI=1S/HI.Li/h1H;/q;+1/p-1,HSZCZNFXUDYRKD-UHFFFAOYSA-M,ILi,133.9,133.92048,,0,2,0,0,1,0,2,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM CREATINE PHOSPHATE DIBASIC TETRAHYDRATE,071519-72-7,44134639,disodium;2-[methyl-(N'-phosphonatocarbamimidoyl)amino]acetic acid;tetrahydrate,CN(CC(=O)O)C(=NP(=O)([O-])[O-])N.O.O.O.O.[Na+].[Na+],"InChI=1S/C4H10N3O5P.2Na.4H2O/c1-7(2-3(8)9)4(5)6-13(10,11)12;;;;;;/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12);;;4*1H2/q;2*+1;;;;/p-2",HUWYWJSJJDCZRQ-UHFFFAOYSA-L,C4H16N3Na2O9P,327.14,327.0419547,,146,259,0,6,10,3,19,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-(HEXYLOXY)-ETHANOL,000112-25-4,8170,2-hexoxyethanol,CCCCCCOCCO,"InChI=1S/C8H18O2/c1-2-3-4-5-7-10-8-6-9/h9H,2-8H2,1H3",UPGSWASWQBLSKZ-UHFFFAOYSA-N,C8H18O2,146.23,146.1306798,1.9,29.5,55,0,1,2,7,10,195 °F OC,208 °C @ 760 MM HG,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1-TETRADECANAMINE, N,N-DIMETHYL-",000112-75-4,8211,"N,N-dimethyltetradecan-1-amine",CCCCCCCCCCCCCCN(C)C,"InChI=1S/C16H35N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3/h4-16H2,1-3H3",SFBHPFQSSDCYSL-UHFFFAOYSA-N,C16H35N,241.46,241.2769501,6.9,3.2,131,0,0,1,13,17,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM TETRAPYROPHOSPHATE,007722-88-5,24403,tetrasodium;phosphonato phosphate,[O-]P(=O)([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+],"InChI=1S/4Na.H4O7P2/c;;;;1-8(2,3)7-9(4,5)6/h;;;;(H2,1,2,3)(H2,4,5,6)/q4*+1;/p-4",FQENQNTWSFEDLI-UHFFFAOYSA-J,Na4O7P2,265.9,265.8710035,,136,124,0,0,7,0,13,,"Decomposes (NIOSH, 2024)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POLY(HEXAMETHYLENEBIGUANIDE) HYDROCHLORIDE [POLY(HEXAMETHYLENEBIGUANIDE HYDROC,032289-58-0,57345804,N'-[6-[(N'-methylcarbamimidoyl)amino]hexyl]ethanimidamide,CC(=NCCCCCCNC(=NC)N)N,"InChI=1S/C10H23N5/c1-9(11)14-7-5-3-4-6-8-15-10(12)13-2/h3-8H2,1-2H3,(H2,11,14)(H3,12,13,15)",SAGIGHPRUJPLKX-UHFFFAOYSA-N,C10H23N5,213.32,213.1953458,-0.4,88.8,210,0,3,2,8,15,,Decomposes without melting at 205-210 °C,1,0,1,1,0,1,1,1,0,0,0,0,0,0,0,0,0,1,1,0
DIBUTYLTIN BIS(ISOOCTYL ACETATE),025168-21-2,16684059,4-O-[dibutyl-[(Z)-4-(6-methylheptoxy)-4-oxobut-2-enoyl]oxystannyl] 1-O-(6-methylheptyl) (Z)-but-2-enedioate,CCCC[Sn](OC(=O)/C=C\C(=O)OCCCCCC(C)C)(OC(=O)/C=C\C(=O)OCCCCCC(C)C)CCCC,"InChI=1S/2C12H20O4.2C4H9.Sn/c2*1-10(2)6-4-3-5-9-16-12(15)8-7-11(13)14;2*1-3-4-2;/h2*7-8,10H,3-6,9H2,1-2H3,(H,13,14);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*8-7-;;;",VLQWDCKTDZZUSU-KKUWAICFSA-L,C32H56O8Sn,687.5,688.299721,,105,738,0,0,8,28,41,,,1,0,0,1,0,0,1,1,0,0,1,0,0,1,0,0,1,0,1,0
"CHLORAL, ANHYDROUS",000075-87-6,6407,"2,2,2-trichloroacetaldehyde",C(=O)C(Cl)(Cl)Cl,"InChI=1S/C2HCl3O/c3-2(4,5)1-6/h1H",HFFLGKNGCAIQMO-UHFFFAOYSA-N,C2HCl3O,147.38,145.909298,1.6,17.1,54,0,0,1,0,6,"167 °F (NTP, 1992)","208 °F at 760 mmHg (NTP, 1992)",0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIMETHYL PHOSPHATE,000512-56-1,10541,trimethyl phosphate,COP(=O)(OC)OC,"InChI=1S/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3",WVLBCYQITXONBZ-UHFFFAOYSA-N,C3H9O4P,140.07,140.0238458,-0.5,44.8,82,0,0,4,3,8,"greater than 300 °F (NTP, 1992)","387 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,1,0,1,0,0,1,0,0,0,0,0,1,0,0,0
MYRISTYL DIMETHYLAMINE OXIDE,003332-27-2,18739,"N,N-dimethyltetradecan-1-amine oxide",CCCCCCCCCCCCCC[N+](C)(C)[O-],"InChI=1S/C16H35NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2,3)18/h4-16H2,1-3H3",ONHFWHCMZAJCFB-UHFFFAOYSA-N,C16H35NO,257.45,257.2718647,6.4,18.1,168,0,0,1,13,18,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-PROPENOIC ACID, 2-METHYL-, ZINC SALT",013189-00-9,10130896,zinc bis(2-methylprop-2-enoate),CC(=C)C(=O)[O-].CC(=C)C(=O)[O-].[Zn+2],"InChI=1S/2C4H6O2.Zn/c2*1-3(2)4(5)6;/h2*1H2,2H3,(H,5,6);/q;;+2/p-2",PIMBTRGLTHJJRV-UHFFFAOYSA-L,C8H10O4Zn,235.5,233.987051,,80.3,78,0,0,4,0,13,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,1,0,1,1,0,1
"TRIS(2,3-DIBROMOPROPYLPHOSPHATE)",000126-72-7,31356,"tris(2,3-dibromopropyl) phosphate",C(C(CBr)Br)OP(=O)(OCC(CBr)Br)OCC(CBr)Br,"InChI=1S/C9H15Br6O4P/c10-1-7(13)4-17-20(16,18-5-8(14)2-11)19-6-9(15)3-12/h7-9H,1-6H2",PQYJRMFWJJONBO-UHFFFAOYSA-N,C9H15Br6O4P,697.6,697.57467,4.3,44.8,255,0,0,4,12,20,"greater than 234 °F (NTP, 1992)",,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0
DIETHYLENETRIAMINE,000111-40-0,8111,"N'-(2-aminoethyl)ethane-1,2-diamine",C(CNCCN)N,"InChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2",RPNUMPOLZDHAAY-UHFFFAOYSA-N,C4H13N3,103.17,103.1109474,-2.1,64.1,26,0,3,3,4,7,"215 °F (NTP, 1992)","405 °F at 760 mmHg (NTP, 1992)",0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
AMMONIUM MOLYBDENUM OXIDE,011098-84-3,3084102,azanium;molybdenum;oxygen(2-);hydrate,[NH4+].O.[O-2].[Mo],InChI=1S/Mo.H3N.H2O.O/h;1H3;1H2;/q;;;-2/p+1,XCOMAVCHADVANQ-UHFFFAOYSA-O,H6MoNO2-,148,149.945257,,3,0,-1,2,2,0,4,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"TRANS,CIS-2,6-DIMETHYL-2,4,6-OCTATRIENE",007216-56-0,5371125,"(4E,6Z)-2,6-dimethylocta-2,4,6-triene",C/C=C(/C)\C=C\C=C(C)C,"InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5-8H,1-4H3/b8-6+,10-5-",GQVMHMFBVWSSPF-DAIHKBMKSA-N,C10H16,136.23,136.1252005,4.2,0,164,0,0,0,2,10,,,1,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
8-HEXADECYNE,019781-86-3,123387,hexadec-8-yne,CCCCCCCC#CCCCCCCC,"InChI=1S/C16H30/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-14H2,1-2H3",YSDKMBBHKZXPME-UHFFFAOYSA-N,C16H30,222.41,222.234751,7.7,0,161,0,0,0,10,16,,,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-PROPENOIC ACID, 2-METHYL-, 2-SULFOETHYL ESTER",010595-80-9,74543,2-(2-methylprop-2-enoyloxy)ethanesulfonic acid,CC(=C)C(=O)OCCS(=O)(=O)O,"InChI=1S/C6H10O5S/c1-5(2)6(7)11-3-4-12(8,9)10/h1,3-4H2,2H3,(H,8,9,10)",PRAMZQXXPOLCIY-UHFFFAOYSA-N,C6H10O5S,194.21,194.0248946,0,89.1,271,0,1,5,5,12,,,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
1-DODECENE,000112-41-4,8183,dodec-1-ene,CCCCCCCCCCC=C,"InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3H,1,4-12H2,2H3",CRSBERNSMYQZNG-UHFFFAOYSA-N,C12H24,168.32,168.1878008,6.8,0,84,0,0,0,9,12,"212 °F (USCG, 1999)","415 °F at 760 mmHg (USCG, 1999)",0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,1,2,2-TETRACHLOROETHANE-D2",033685-54-0,118531,"1,1,2,2-tetrachloro-1,2-dideuterioethane",[2H]C(C([2H])(Cl)Cl)(Cl)Cl,"InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H/i1D,2D",QPFMBZIOSGYJDE-QDNHWIQGSA-N,C2H2Cl4,169.9,169.900664,2.4,0,26,0,0,0,1,6,,,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
DICHLOROACETIC ANHYDRIDE,004124-30-5,77772,"(2,2-dichloroacetyl) 2,2-dichloroacetate",C(C(=O)OC(=O)C(Cl)Cl)(Cl)Cl,InChI=1S/C4H2Cl4O3/c5-1(6)3(9)11-4(10)2(7)8/h1-2H,RQHMQURGSQBBJY-UHFFFAOYSA-N,C4H2Cl4O3,239.9,239.872855,2.6,43.4,149,0,0,3,4,11,,,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TRICHLOROACETYL ISOCYANATE,003019-71-4,76400,"2,2,2-trichloroacetyl isocyanate",C(=NC(=O)C(Cl)(Cl)Cl)=O,"InChI=1S/C3Cl3NO2/c4-3(5,6)2(9)7-1-8",GRNOZCCBOFGDCL-UHFFFAOYSA-N,C3Cl3NO2,188.39,186.899461,2.8,46.5,166,0,0,2,0,9,,,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0
"3,7-DIMETHYL-6-OCTENOIC ACID",000502-47-6,10402,"3,7-dimethyloct-6-enoic acid",CC(CCC=C(C)C)CC(=O)O,"InChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,9H,4,6-7H2,1-3H3,(H,11,12)",GJWSUKYXUMVMGX-UHFFFAOYSA-N,C10H18O2,170.25,170.1306798,3,37.3,167,0,1,2,5,12,,121.00 to 122.00 °C. @ 1.00 mm Hg,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
SULFOACETIC ACID,000123-43-3,31257,2-sulfoacetic acid,C(C(=O)O)S(=O)(=O)O,"InChI=1S/C2H4O5S/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H,5,6,7)",AGGIJOLULBJGTQ-UHFFFAOYSA-N,C2H4O5S,140.12,139.9779444,-1.3,100,171,0,2,5,2,8,,DECOMP AT BP OF 245 °C,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANOL, 2-[2-(DIMETHYLAMINO)ETHOXY]-",001704-62-7,74348,2-[2-(dimethylamino)ethoxy]ethanol,CN(C)CCOCCO,"InChI=1S/C6H15NO2/c1-7(2)3-5-9-6-4-8/h8H,3-6H2,1-2H3",YSAANLSYLSUVHB-UHFFFAOYSA-N,C6H15NO2,133.19,133.1102787,-0.6,32.7,57,0,1,3,5,9,,,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
IODINE,007553-56-2,807,molecular iodine,II,InChI=1S/I2/c1-2,PNDPGZBMCMUPRI-UHFFFAOYSA-N,I2,253.8089,253.80895,1.7,0,0,0,0,0,0,2,,"365 °F at 760 mmHg (NIOSH, 2024)",1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CERIUM(III) CHLORIDE,007790-86-5,161282,trichlorocerium,Cl[Ce](Cl)Cl,InChI=1S/Ce.3ClH/h;3*1H/q+3;;;/p-3,VYLVYHXQOHJDJL-UHFFFAOYSA-K,CeCl3,246.47,244.81201,,0,8,0,0,0,0,4,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
POTASSIUM PYROSULFATE,007790-62-7,62681,dipotassium;sulfonato sulfate,[O-]S(=O)(=O)OS(=O)(=O)[O-].[K+].[K+],"InChI=1S/2K.H2O7S2/c;;1-8(2,3)7-9(4,5)6/h;;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2",KAQHZJVQFBJKCK-UHFFFAOYSA-L,K2O7S2,254.33,253.8359577,,140,194,0,0,7,0,11,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
HEPTANOIC  ACID,000111-14-8,8094,heptanoic acid,CCCCCCC(=O)O,"InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)",MNWFXJYAOYHMED-UHFFFAOYSA-N,C7H14O2,130.18,130.0993797,2.5,37.3,79,0,1,2,5,9,"greater than 235 °F (NTP, 1992)","432 to 473 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
6-BROMOHEXANOIC ACID,004224-70-8,20210,6-bromohexanoic acid,C(CCC(=O)O)CCBr,"InChI=1S/C6H11BrO2/c7-5-3-1-2-4-6(8)9/h1-5H2,(H,8,9)",NVRVNSHHLPQGCU-UHFFFAOYSA-N,C6H11BrO2,195.05,193.99424,1,37.3,83,0,1,2,5,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM STANNATE TRIHYDRATE,012209-98-2,21977542,disodium;dioxido(oxo)tin;trihydrate,O.O.O.[O-][Sn](=O)[O-].[Na+].[Na+],InChI=1S/2Na.3H2O.3O.Sn/h;;3*1H2;;;;/q2*+1;;;;;2*-1;,SFXJSNATBHJIDS-UHFFFAOYSA-N,H6Na2O6Sn,266.73,267.898179,,66.2,18,0,3,6,0,9,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
IODINE MONOBROMIDE,007789-33-5,82238,,BrI,InChI=1S/BrI/c1-2,CBEQRNSPHCCXSH-UHFFFAOYSA-N,BrI,206.81,205.82281,1.8,0,2,0,0,0,0,2,,116 °C (decomposes),0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
DIETHYL 2-BROMO-2-METHYLMALONATE,029263-94-3,94944,diethyl 2-bromo-2-methylpropanedioate,CCOC(=O)C(C)(C(=O)OCC)Br,"InChI=1S/C8H13BrO4/c1-4-12-6(10)8(3,9)7(11)13-5-2/h4-5H2,1-3H3",CSLQAXTUGPUBCW-UHFFFAOYSA-N,C8H13BrO4,253.09,251.99972,2,52.6,184,0,0,4,6,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
N-DODECYLTRICHLOROSILANE,004484-72-4,20568,trichloro(dodecyl)silane,CCCCCCCCCCCC[Si](Cl)(Cl)Cl,"InChI=1S/C12H25Cl3Si/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h2-12H2,1H3",BNCXNUWGWUZTCN-UHFFFAOYSA-N,C12H25Cl3Si,303.8,302.07911,,0,146,0,0,0,10,16,"greater than 150 °F (USCG, 1999)","greater than 300 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2,3-DICHLOROPROPIONYL CHLORIDE",007623-13-4,111020,"2,3-dichloropropanoyl chloride",C(C(C(=O)Cl)Cl)Cl,"InChI=1S/C3H3Cl3O/c4-1-2(5)3(6)7/h2H,1H2",JQELECXPPAOSTM-UHFFFAOYSA-N,C3H3Cl3O,161.41,159.924948,2,17.1,72,0,0,1,2,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
GOLD(III) CHLORIDE,013453-07-1,26030,trichlorogold,Cl[Au](Cl)Cl,InChI=1S/Au.3ClH/h;3*1H/q+3;;;/p-3,RJHLTVSLYWWTEF-UHFFFAOYSA-K,AuCl3,303.32,301.873128,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(+/-)-3-(DIMETHYLAMINO)-1,2-PROPANEDIOL",000623-57-4,79078,"3-(dimethylamino)propane-1,2-diol",CN(C)CC(CO)O,"InChI=1S/C5H13NO2/c1-6(2)3-5(8)4-7/h5,7-8H,3-4H2,1-2H3",QCMHUGYTOGXZIW-UHFFFAOYSA-N,C5H13NO2,119.16,119.0946287,-1,43.7,56,0,2,3,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
N-BROMOACETAMIDE,000079-15-2,4353,N-bromoacetamide,CC(=O)NBr,"InChI=1S/C2H4BrNO/c1-2(5)4-3/h1H3,(H,4,5)",VBTQNRFWXBXZQR-UHFFFAOYSA-N,C2H4BrNO,137.96,136.94763,0.1,29.1,44,0,1,1,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PHOSGENE IMINIUM CHLORIDE,033842-02-3,2723945,dichloromethylidene(dimethyl)azanium chloride,C[N+](=C(Cl)Cl)C.[Cl-],InChI=1S/C3H6Cl2N.ClH/c1-6(2)3(4)5;/h1-2H3;1H/q+1;/p-1,NRNFKRFWZQQDMD-UHFFFAOYSA-M,C3H6Cl3N,162.44,160.956582,,3,68,0,0,1,0,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
THIODIGLYCOLIC ACID,000123-93-3,31277,2-(carboxymethylsulfanyl)acetic acid,C(C(=O)O)SCC(=O)O,"InChI=1S/C4H6O4S/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)",UVZICZIVKIMRNE-UHFFFAOYSA-N,C4H6O4S,150.16,149.9986798,0.1,99.9,108,0,2,5,4,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
METAPHOSPHORIC ACID,037267-86-0,3084658,phosphenic acid,OP(=O)=O,"InChI=1S/HO3P/c1-4(2)3/h(H,1,2,3)",UEZVMMHDMIWARA-UHFFFAOYSA-N,HO3P,79.98,79.96633089,-1.2,54.4,46,0,1,3,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
D(-)-LACTIC ACID,010326-41-7,61503,(2R)-2-hydroxypropanoic acid,C[C@H](C(=O)O)O,"InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1",JVTAAEKCZFNVCJ-UWTATZPHSA-N,C3H6O3,90.08,90.03169405,-0.7,57.5,59,0,2,3,1,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM METASILICATE NONAHYDRATE,013517-24-3,61639,disodium;dioxido(oxo)silane;nonahydrate,O.O.O.O.O.O.O.O.O.[O-][Si](=O)[O-].[Na+].[Na+],InChI=1S/2Na.O3Si.9H2O/c;;1-4(2)3;;;;;;;;;/h;;;9*1H2/q2*+1;-2;;;;;;;;;,PHIQPXBZDGYJOG-UHFFFAOYSA-N,H18Na2O12Si,284.2,284.0362911,,72.2,18,0,9,12,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-DECANETHIOL,000143-10-2,8917,decane-1-thiol,CCCCCCCCCCS,"InChI=1S/C10H22S/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3",VTXVGVNLYGSIAR-UHFFFAOYSA-N,C10H22S,174.35,174.1442219,5.5,1,61,0,1,1,8,11,"209 °F (NIOSH, 2024)","465 °F at 760 mmHg (NIOSH, 2024)",1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
TELLURIUM(IV) BROMIDE,010031-27-3,82311,,Br[Te](Br)(Br)Br,"InChI=1S/Br4Te/c1-5(2,3)4",PTYIPBNVDTYPIO-UHFFFAOYSA-N,Br4Te,447.2,449.57547,,0,19,0,0,0,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
BISMUTH (III) BROMIDE,007787-58-8,82232,tribromobismuthane,Br[Bi](Br)Br,InChI=1S/Bi.3BrH/h;3*1H/q+3;;;/p-3,TXKAQZRUJUNDHI-UHFFFAOYSA-K,BiBr3,448.69,447.73336,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
CHLORODIFLUOROACETIC ACID,000076-04-0,66154,"2-chloro-2,2-difluoroacetic acid",C(=O)(C(F)(F)Cl)O,"InChI=1S/C2HClF2O2/c3-2(4,5)1(6)7/h(H,6,7)",OAWAZQITIZDJRB-UHFFFAOYSA-N,C2HClF2O2,130.48,129.9633133,1.2,37.3,91,0,1,4,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
1-HEXADECANESULFONYL CHLORIDE,038775-38-1,96923,hexadecane-1-sulfonyl chloride,CCCCCCCCCCCCCCCCS(=O)(=O)Cl,"InChI=1S/C16H33ClO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3",YOSVFFVBSPQTTP-UHFFFAOYSA-N,C16H33ClO2S,325,324.1889792,8.1,42.5,283,0,0,2,15,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H,1H-PENTADECAFLUOROOCTYLAMINE",000307-29-9,136148,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctan-1-amine",C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N,"InChI=1S/C8H4F15N/c9-2(10,1-24)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h1,24H2",HZCZXRSVKNFILZ-UHFFFAOYSA-N,C8H4F15N,399.1,399.0104216,4.4,26,461,0,1,16,6,24,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
DITRIDECYLAMINE,005910-75-8,22200,N-tridecyltridecan-1-amine,CCCCCCCCCCCCCNCCCCCCCCCCCCC,"InChI=1S/C26H55N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h27H,3-26H2,1-2H3",PZFYOFFTIYJCEW-UHFFFAOYSA-N,C26H55N,381.7,381.4334508,12,12,214,0,1,1,24,27,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
HEPTAFLUOROBUTYRYL CHLORIDE,000375-16-6,67810,"2,2,3,3,4,4,4-heptafluorobutanoyl chloride",C(=O)(C(C(C(F)(F)F)(F)F)(F)F)Cl,"InChI=1S/C4ClF7O/c5-1(13)2(6,7)3(8,9)4(10,11)12",WFELVFKXQJYPSL-UHFFFAOYSA-N,C4ClF7O,232.48,231.9525894,3.2,17.1,219,0,0,8,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"(TRIDECAFLUORO-1,1,2,2-TETRAHYDROOCTYL)TRICHLOROSILANE",078560-45-9,123578,"trichloro(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane",C(C[Si](Cl)(Cl)Cl)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C8H4Cl3F13Si/c9-25(10,11)2-1-3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24/h1-2H2",PISDRBMXQBSCIP-UHFFFAOYSA-N,C8H4Cl3F13Si,481.5,479.894026,,0,481,0,0,13,6,25,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
DI-T-BUTYLPHOSPHITE,013086-84-5,6335290,bis[(2-methylpropan-2-yl)oxy]-oxophosphanium,CC(C)(C)O[P+](=O)OC(C)(C)C,"InChI=1S/C8H18O3P/c1-7(2,3)10-12(9)11-8(4,5)6/h1-6H3/q+1",GEBLOQXLELCEEO-UHFFFAOYSA-N,C8H18O3P+,193.2,193.0993564,1.9,35.5,146,1,0,3,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
2-(2-(2-AMINOETHOXY)ETHOXY)ETHANOL,006338-55-2,95875,2-[2-(2-aminoethoxy)ethoxy]ethanol,C(COCCOCCO)N,"InChI=1S/C6H15NO3/c7-1-3-9-5-6-10-4-2-8/h8H,1-7H2",ASDQMECUMYIVBG-UHFFFAOYSA-N,C6H15NO3,149.19,149.1051933,-1.8,64.7,61,0,2,4,7,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TITANIUM(IV) BROMIDE,007789-68-6,123263,tetrabromotitanium,[Ti](Br)(Br)(Br)Br,InChI=1S/4BrH.Ti/h4*1H;/q;;;;+4/p-4,UBZYKBZMAMTNKW-UHFFFAOYSA-J,Br4Ti,367.48,367.61719,,0,19,0,0,0,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
METHYL PHOSPHONIC DICHLORIDE,000676-97-1,12671,dichlorophosphorylmethane,CP(=O)(Cl)Cl,"InChI=1S/CH3Cl2OP/c1-5(2,3)4/h1H3",SCLFRABIDYGTAZ-UHFFFAOYSA-N,CH3Cl2OP,132.91,131.9298571,1,17.1,64,0,0,1,0,5,,325 °F,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-HEPTADECAFLUORODECYL METHACRYLATE",001996-88-9,160606,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl 2-methylprop-2-enoate",CC(=C)C(=O)OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C14H9F17O2/c1-5(2)6(32)33-4-3-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h1,3-4H2,2H3",HBZFBSFGXQBQTB-UHFFFAOYSA-N,C14H9F17O2,532.19,532.0331083,7.2,26.3,749,0,0,19,11,33,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,0
4-BROMOBUTYRIC ACID,002623-87-2,75809,4-bromobutanoic acid,C(CC(=O)O)CBr,"InChI=1S/C4H7BrO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7)",GRHQDJDRGZFIPO-UHFFFAOYSA-N,C4H7BrO2,167,165.96294,0.8,37.3,62,0,1,2,3,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
FLUOROSULFONIC ACID,007789-21-1,24603,sulfurofluoridic acid,OS(=O)(=O)F,"InChI=1S/FHO3S/c1-5(2,3)4/h(H,2,3,4)",UQSQSQZYBQSBJZ-UHFFFAOYSA-N,FHO3S,100.07,99.96304323,-0.3,62.8,92,0,1,4,0,5,,"324.9 °F at 760 mmHg (USCG, 1999)",0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
6-BROMOHEXANOYL CHLORIDE,022809-37-6,89848,6-bromohexanoyl chloride,C(CCC(=O)Cl)CCBr,InChI=1S/C6H10BrClO/c7-5-3-1-2-4-6(8)9/h1-5H2,HBPVGJGBRWIVSX-UHFFFAOYSA-N,C6H10BrClO,213.5,211.96036,2.5,17.1,85,0,0,1,5,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"RUTHENIUM CHLORIDE, TRIHYDRATE",013815-94-6,12090026,trichlororuthenium;trihydrate,O.O.O.Cl[Ru](Cl)Cl,InChI=1S/3ClH.3H2O.Ru/h3*1H;3*1H2;/q;;;;;;+3/p-3,ZTWIEIFKPFJRLV-UHFFFAOYSA-K,Cl3H6O3Ru,261.5,260.842592,,3,8,0,3,3,0,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
1-OCTADECANESULFONYL CHLORIDE,010147-41-8,66281,octadecane-1-sulfonyl chloride,CCCCCCCCCCCCCCCCCCS(=O)(=O)Cl,"InChI=1S/C18H37ClO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h2-18H2,1H3",VDRWNKIQBYUKGD-UHFFFAOYSA-N,C18H37ClO2S,353,352.2202793,9.2,42.5,310,0,0,2,17,22,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TRIS(2-DIMETHYLAMINOETHYL)AMINE,033527-91-2,263094,"N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine",CN(C)CCN(CCN(C)C)CCN(C)C,"InChI=1S/C12H30N4/c1-13(2)7-10-16(11-8-14(3)4)12-9-15(5)6/h7-12H2,1-6H3",VMGSQCIDWAUGLQ-UHFFFAOYSA-N,C12H30N4,230.39,230.247047,0.4,13,129,0,0,4,9,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
2-BROMOACRYLIC ACID,010443-65-9,82633,2-bromoprop-2-enoic acid,C=C(C(=O)O)Br,"InChI=1S/C3H3BrO2/c1-2(4)3(5)6/h1H2,(H,5,6)",HMENQNSSJFLQOP-UHFFFAOYSA-N,C3H3BrO2,150.96,149.93164,1.3,37.3,86,0,1,2,1,6,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,1
"(3,7-DIMETHYLOCTYL)MAGNESIUM BROMIDE",114499-45-5,11107616,"magnesium;2,6-dimethyloctane;bromide",CC(C)CCCC(C)C[CH2-].[Mg+2].[Br-],"InChI=1S/C10H21.BrH.Mg/c1-5-10(4)8-6-7-9(2)3;;/h9-10H,1,5-8H2,2-4H3;1H;/q-1;;+2/p-1",UBZNSHABNFIFHK-UHFFFAOYSA-M,C10H21BrMg,245.48,244.0677,,0,74,0,0,2,5,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
BARIUM(II) BIS(TRIFLUOROMETHANESULFONYL)IMIDE,168106-22-7,132274841,barium(2+);bis(bis(trifluoromethylsulfonyl)azanide),C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.[Ba+2],"InChI=1S/2C2F6NO4S2.Ba/c2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q2*-1;+2",ZFICMXSMTNWQDX-UHFFFAOYSA-N,C4BaF12N2O8S4,697.6,697.739835,,172,374,0,0,22,4,31,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"N-BOC-1,6-HEXANEDIAMINE",051857-17-1,2733170,tert-butyl N-(6-aminohexyl)carbamate,CC(C)(C)OC(=O)NCCCCCCN,"InChI=1S/C11H24N2O2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8-12/h4-9,12H2,1-3H3,(H,13,14)",RVZPDKXEHIRFPM-UHFFFAOYSA-N,C11H24N2O2,216.32,216.183778,1.4,64.4,176,0,2,3,8,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2-AMINO-1,3-PROPANEDIOL",000534-03-2,68294,"2-aminopropane-1,3-diol",C(C(CO)N)O,"InChI=1S/C3H9NO2/c4-3(1-5)2-6/h3,5-6H,1-2,4H2",KJJPLEZQSCZCKE-UHFFFAOYSA-N,C3H9NO2,91.11,91.06332853,-2,66.5,28,0,3,3,2,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
N-(5-AMINOPENTYL)ACETAMIDE,032343-73-0,189087,N-(5-aminopentyl)acetamide,CC(=O)NCCCCCN,"InChI=1S/C7H16N2O/c1-7(10)9-6-4-2-3-5-8/h2-6,8H2,1H3,(H,9,10)",RMOIHHAKNOFHOE-UHFFFAOYSA-N,C7H16N2O,144.21,144.1262631,-0.3,55.1,93,0,2,2,5,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TRIGLYCEROL DIACRYLATE,060453-84-1,4616639,[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate,C=CC(=O)OCC(COCC(COCC(COC(=O)C=C)O)O)O,"InChI=1S/C15H24O9/c1-3-14(19)23-9-12(17)7-21-5-11(16)6-22-8-13(18)10-24-15(20)4-2/h3-4,11-13,16-18H,1-2,5-10H2",PSSYEWWHQGPWGA-UHFFFAOYSA-N,C15H24O9,348.34,348.1420323,-1,132,360,0,3,9,16,24,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"ETHANESULFONIC ACID, 2-HYDROXY-",000107-36-8,7866,2-hydroxyethanesulfonic acid,C(CS(=O)(=O)O)O,"InChI=1S/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6)",SUMDYPCJJOFFON-UHFFFAOYSA-N,C2H6O4S,126.13,125.9986798,-1.6,83,117,0,2,4,2,7,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
PENTADECAFLUOROOCTANOYL FLUORIDE,000335-66-0,67634,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoyl fluoride",C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F,"InChI=1S/C8F16O/c9-1(25)2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24",ZILWJLIFAGWGLE-UHFFFAOYSA-N,C8F16O,416.06,415.9693652,5.4,17.1,527,0,0,17,6,25,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"ACETYL CHLORIDE, CHLORODIFLUORO-",000354-24-5,67713,"2-chloro-2,2-difluoroacetyl chloride",C(=O)(C(F)(F)Cl)Cl,"InChI=1S/C2Cl2F2O/c3-1(7)2(4,5)6",AZPWOLJQERBBBM-UHFFFAOYSA-N,C2Cl2F2O,148.92,147.9294263,2.1,17.1,91,0,0,3,1,7,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
FLUOROACETYL CHLORIDE,000359-06-8,9663,2-fluoroacetyl chloride,C(C(=O)Cl)F,InChI=1S/C2H2ClFO/c3-2(5)1-4/h1H2,ZBHDTYQJAQDBIH-UHFFFAOYSA-N,C2H2ClFO,96.49,95.9778205,1.1,17.1,44,0,0,2,1,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2-PROPENOIC ACID, 2-CHLORO-",000598-79-8,11735,2-chloroprop-2-enoic acid,C=C(C(=O)O)Cl,"InChI=1S/C3H3ClO2/c1-2(4)3(5)6/h1H2,(H,5,6)",SZTBMYHIYNGYIA-UHFFFAOYSA-N,C3H3ClO2,106.51,105.982157,1.2,37.3,86,0,1,2,1,6,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1-BUTANAMINE, 3-METHYL-N,N-BIS(3-METHYLBUTYL)-",000645-41-0,69525,"3-methyl-N,N-bis(3-methylbutyl)butan-1-amine",CC(C)CCN(CCC(C)C)CCC(C)C,"InChI=1S/C15H33N/c1-13(2)7-10-16(11-8-14(3)4)12-9-15(5)6/h13-15H,7-12H2,1-6H3",QKVUSSUOYHTOFQ-UHFFFAOYSA-N,C15H33N,227.43,227.2613001,5.3,3.2,121,0,0,1,9,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"SILANE, TRIBUTYLCHLORO-",000995-45-9,70448,tributyl(chloro)silane,CCCC[Si](CCCC)(CCCC)Cl,"InChI=1S/C12H27ClSi/c1-4-7-10-14(13,11-8-5-2)12-9-6-3/h4-12H2,1-3H3",JSQJUDVTRRCSRU-UHFFFAOYSA-N,C12H27ClSi,234.88,234.1570551,,0,104,0,0,0,9,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PENTANOIC ACID, ANHYDRIDE",002082-59-9,74959,pentanoyl pentanoate,CCCCC(=O)OC(=O)CCCC,"InChI=1S/C10H18O3/c1-3-5-7-9(11)13-10(12)8-6-4-2/h3-8H2,1-2H3",DUCKXCGALKOSJF-UHFFFAOYSA-N,C10H18O3,186.25,186.1255944,2.6,43.4,146,0,0,3,8,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"PHOSPHINE OXIDE, TRIHEXYL-",003084-48-8,76514,1-dihexylphosphorylhexane,CCCCCCP(=O)(CCCCCC)CCCCCC,"InChI=1S/C18H39OP/c1-4-7-10-13-16-20(19,17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H3",PPDZLUVUQQGIOJ-UHFFFAOYSA-N,C18H39OP,302.5,302.2738529,6.4,17.1,200,0,0,1,15,20,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"1-PROPANAMINE, 3-(METHYLTHIO)-",004104-45-4,77743,3-methylsulfanylpropan-1-amine,CSCCCN,"InChI=1S/C4H11NS/c1-6-4-2-3-5/h2-5H2,1H3",KKYSBGWCYXYOHA-UHFFFAOYSA-N,C4H11NS,105.2,105.0612205,0.3,51.3,23,0,1,2,3,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"UREA, PHOSPHATE (1:1)",004861-19-2,20994,phosphoric acid;urea,C(=O)(N)N.OP(=O)(O)O,"InChI=1S/CH4N2O.H3O4P/c2-1(3)4;1-5(2,3)4/h(H4,2,3,4);(H3,1,2,3,4)",DZHMRSPXDUUJER-UHFFFAOYSA-N,CH7N2O5P,158.05,158.0092583,,147,78,0,5,5,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHONIC ACID, DODECYL-",005137-70-2,78816,dodecylphosphonic acid,CCCCCCCCCCCCP(=O)(O)O,"InChI=1S/C12H27O3P/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h2-12H2,1H3,(H2,13,14,15)",SVMUEEINWGBIPD-UHFFFAOYSA-N,C12H27O3P,250.31,250.1697817,4,57.5,189,0,2,3,11,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,0
IRON POTASSIUM OXIDE (FE11KO17),012160-44-0,161995,potassium;iron(3+);bis(oxygen(2-)),[O-2].[O-2].[K+].[Fe+3],InChI=1S/Fe.K.2O/q+3;+1;2*-2,UMPKMCDVBZFQOK-UHFFFAOYSA-N,FeKO2,126.94,126.888471,,2,0,0,0,2,0,4,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
HAFNIUM BROMIDE (HFBR4),013777-22-5,83725,tetrabromohafnium,Br[Hf](Br)(Br)Br,InChI=1S/4BrH.Hf/h4*1H;/q;;;;+4/p-4,FEEFWFYISQGDKK-UHFFFAOYSA-J,Br4Hf,498.1,499.61581,,0,19,0,0,0,0,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"DIPHOSPHORIC ACID, ALUMINUM SALT (3:4)",014696-66-3,138395844,tetraaluminum;phosphonato phosphate,[O-]P(=O)([O-])OP(=O)([O-])[O-].[O-]P(=O)([O-])OP(=O)([O-])[O-].[O-]P(=O)([O-])OP(=O)([O-])[O-].[O-]P(=O)([O-])OP(=O)([O-])[O-].[O-]P(=O)([O-])OP(=O)([O-])[O-].[O-]P(=O)([O-])OP(=O)([O-])[O-].[O-]P(=O)([O-])OP(=O)([O-])[O-].[O-]P(=O)([O-])OP(=O)([O-])[O-].[O-]P(=O)([O-])OP(=O)([O-])[O-].[Al+3].[Al+3].[Al+3].[Al+3],"InChI=1S/4Al.9H4O7P2/c;;;;9*1-8(2,3)7-9(4,5)6/h;;;;9*(H2,1,2,3)(H2,4,5,6)/q4*+3;;;;;;;;;/p-36",LASNZDFMCGNSQZ-UHFFFAOYSA-A,Al4O63P18-24,1673.4,1673.133491,,1220,124,-24,0,63,0,85,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"STANNANE, BIS(ACETYLOXY)DIOCTYL-",017586-94-6,16682771,[acetyloxy(dioctyl)stannyl] acetate,CCCCCCCC[Sn](CCCCCCCC)(OC(=O)C)OC(=O)C,"InChI=1S/2C8H17.2C2H4O2.Sn/c2*1-3-5-7-8-6-4-2;2*1-2(3)4;/h2*1,3-8H2,2H3;2*1H3,(H,3,4);/q;;;;+2/p-2",CQQXCSFSYHAZOO-UHFFFAOYSA-L,C20H40O4Sn,463.2,464.194862,,52.6,324,0,0,4,18,25,,,0,0,1,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,1,1
"1,2-ETHANEDIOL, MONOLITHIUM SALT",023248-23-9,23688918,lithium 2-hydroxyethanolate,[Li+].C(C[O-])O,"InChI=1S/C2H5O2.Li/c3-1-2-4;/h3H,1-2H2;/q-1;+1",MWGIVMAOEMYJOR-UHFFFAOYSA-N,C2H5LiO2,68,68.04495783,,43.3,11,0,1,2,1,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"STANNANE, BUTYLTRIS[(2-ETHYL-1-OXOHEXYL)OXY]-",023850-94-4,16684054,[butyl-bis(2-ethylhexanoyloxy)stannyl] 2-ethylhexanoate,CCCCC(CC)C(=O)O[Sn](CCCC)(OC(=O)C(CC)CCCC)OC(=O)C(CC)CCCC,"InChI=1S/3C8H16O2.C4H9.Sn/c3*1-3-5-6-7(4-2)8(9)10;1-3-4-2;/h3*7H,3-6H2,1-2H3,(H,9,10);1,3-4H2,2H3;/q;;;;+3/p-3",GVKORIDPEBYOFR-UHFFFAOYSA-K,C28H54O6Sn,605.4,606.294242,,78.9,520,0,0,6,24,35,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-TETRADECANAMINE, N,N-DIMETHYL-, ACETATE",024287-35-2,90440,"acetic acid;N,N-dimethyltetradecan-1-amine",CCCCCCCCCCCCCCN(C)C.CC(=O)O,"InChI=1S/C16H35N.C2H4O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3;1-2(3)4/h4-16H2,1-3H3;1H3,(H,3,4)",WOJPVXQAVGCDIA-UHFFFAOYSA-N,C18H39NO2,301.5,301.2980795,,40.5,163,0,1,3,13,21,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"DIPHOSPHORIC ACID, DIBUTYL ESTER",028901-77-1,120090,[butoxy(hydroxy)phosphoryl] butyl hydrogen phosphate,CCCCOP(=O)(O)OP(=O)(O)OCCCC,"InChI=1S/C8H20O7P2/c1-3-5-7-13-16(9,10)15-17(11,12)14-8-6-4-2/h3-8H2,1-2H3,(H,9,10)(H,11,12)",IIVCGGJCVPWXHR-UHFFFAOYSA-N,C8H20O7P2,290.19,290.068427,0.4,102,266,0,2,7,10,17,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-PROPENOIC ACID, 2-(PHOSPHONOOXY)ETHYL ESTER",032120-16-4,169406,2-phosphonooxyethyl prop-2-enoate,C=CC(=O)OCCOP(=O)(O)O,"InChI=1S/C5H9O6P/c1-2-5(6)10-3-4-11-12(7,8)9/h2H,1,3-4H2,(H2,7,8,9)",UDXXYUDJOHIIDZ-UHFFFAOYSA-N,C5H9O6P,196.09,196.013675,-1.1,93.1,206,0,2,6,6,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORODITHIOIC ACID, O,O-BIS(1-METHYLPROPYL) ESTER, SODIUM SALT",033619-92-0,23681170,sodium di(butan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane,CCC(C)OP(=S)(OC(C)CC)[S-].[Na+],"InChI=1S/C8H19O2PS2.Na/c1-5-7(3)9-11(12,13)10-8(4)6-2;/h7-8H,5-6H2,1-4H3,(H,12,13);/q;+1/p-1",FVLCBQUCLOPWGZ-UHFFFAOYSA-M,C8H18NaO2PS2,264.3,264.0383534,,51.6,176,0,0,4,6,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"L-CYSTINE, HYDROCHLORIDE",034760-60-6,118187,2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;hydrochloride,C(C(C(=O)O)N)SSCC(C(=O)O)N.Cl,"InChI=1S/C6H12N2O4S2.ClH/c7-3(5(9)10)1-13-14-2-4(8)6(11)12;/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12);1H",IOCJWNPYGRVHLN-UHFFFAOYSA-N,C6H13ClN2O4S2,276.8,276.0005269,,177,192,0,5,8,7,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"SILANE, CHLORODECYLDIMETHYL-",038051-57-9,2758020,chloro-decyl-dimethylsilane,CCCCCCCCCC[Si](C)(C)Cl,"InChI=1S/C12H27ClSi/c1-4-5-6-7-8-9-10-11-12-14(2,3)13/h4-12H2,1-3H3",ZLZGHBNDPINFKG-UHFFFAOYSA-N,C12H27ClSi,234.88,234.1570551,,0,123,0,0,0,9,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1-TETRADECANAMINIUM, N,N-DIMETHYL-N-[3-(TRIMETHOXYSILYL)PROPYL]-, CHLORIDE",041591-87-1,170538,dimethyl-tetradecyl-(3-trimethoxysilylpropyl)azanium chloride,CCCCCCCCCCCCCC[N+](C)(C)CCC[Si](OC)(OC)OC.[Cl-],"InChI=1S/C22H50NO3Si.ClH/c1-7-8-9-10-11-12-13-14-15-16-17-18-20-23(2,3)21-19-22-27(24-4,25-5)26-6;/h7-22H2,1-6H3;1H/q+1;/p-1",PHDAZHGCTGTQAS-UHFFFAOYSA-M,C22H50ClNO3Si,440.2,439.3248487,,27.7,314,0,0,4,20,28,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"STANNANE, DIBUTYLBIS[(1-OXOISOOCTADECYL)OXY]-",059963-28-9,16684122,[dibutyl(16-methylheptadecanoyloxy)stannyl] 16-methylheptadecanoate,CCCC[Sn](CCCC)(OC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/2C18H36O2.2C4H9.Sn/c2*1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;2*1-3-4-2;/h2*17H,3-16H2,1-2H3,(H,19,20);2*1,3-4H2,2H3;/q;;;;+2/p-2",ZPLRFSGMNSYWCH-UHFFFAOYSA-L,C44H88O4Sn,799.9,800.570464,,52.6,662,0,0,4,40,49,,,0,0,1,0,0,0,0,0,0,0,1,0,0,1,0,0,1,0,1,0
"SILANETRIOL, METHYL-, TRIPOTASSIUM SALT",065351-55-5,6455118,tripotassium;methyl(trioxido)silane,C[Si]([O-])([O-])[O-].[K+].[K+].[K+],"InChI=1S/CH3O3Si.3K/c1-5(2,3)4;;;/h1H3;;;/q-3;3*+1",UAEHYLMDLZKQTP-UHFFFAOYSA-N,CH3K3O3Si,208.41,207.8762649,,69.2,28,0,0,3,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"METHANOL, (DIBUTYLAMINO)-",067953-77-9,106249,(dibutylamino)methanol,CCCCN(CCCC)CO,"InChI=1S/C9H21NO/c1-3-5-7-10(9-11)8-6-4-2/h11H,3-9H2,1-2H3",JPMXTFALJXQHJL-UHFFFAOYSA-N,C9H21NO,159.27,159.1623143,2.2,23.5,68,0,1,2,7,11,,,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
PLATINUM BROMIDE (PTBR4),068938-92-1,111865,platinum(4+) tetrabromide,[Br-].[Br-].[Br-].[Br-].[Pt+4],InChI=1S/4BrH.Pt/h4*1H;/q;;;;+4/p-4,SNPHNDVOPWUNON-UHFFFAOYSA-J,Br4Pt,514.7,514.63405,,0,0,0,0,4,0,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TRIMETHYLSULFONIUM HYDROXIDE,017287-03-5,11105313,trimethylsulfanium hydroxide,C[S+](C)C.[OH-],InChI=1S/C3H9S.H2O/c1-4(2)3;/h1-3H3;1H2/q+1;/p-1,MDTPTXSNPBAUHX-UHFFFAOYSA-M,C3H10OS,94.18,94.04523611,,2,8,0,1,1,0,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
PHOSPHORIC ACID-D3 [(3H)PHORPHORIC ACID],014335-33-2,3084191,trideuterio phosphate,[2H]OP(=O)(O[2H])O[2H],"InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/i/hD3",NBIIXXVUZAFLBC-ZRLBSURWSA-N,H3O4P,101.014,100.9957258,-2.1,77.8,49,0,3,4,0,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
ISOPROPYLMAGNESIUM CHLORIDE LITHIUM CHLORIDE COMPLEX,807329-97-1,11275082,lithium;magnesium;propane;dichloride,[Li+].C[CH-]C.[Mg+2].[Cl-].[Cl-],"InChI=1S/C3H7.2ClH.Li.Mg/c1-3-2;;;;/h3H,1-2H3;2*1H;;/q-1;;;+1;+2/p-2",DBTNVRCCIDISMV-UHFFFAOYSA-L,C3H7Cl2LiMg,145.3,143.9935257,,0,8,0,0,3,0,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
CHLORODIBROMOACETIC ACID,005278-95-5,115266,"2,2-dibromo-2-chloroacetic acid",C(=O)(C(Cl)(Br)Br)O,"InChI=1S/C2HBr2ClO2/c3-2(4,5)1(6)7/h(H,6,7)",UCZDDMGNCJJAHK-UHFFFAOYSA-N,C2HBr2ClO2,252.29,251.80113,2,37.3,91,0,1,2,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
DIBUTYLBORON TRIFLATE,060669-69-4,2724243,dibutylboranyl trifluoromethanesulfonate,B(CCCC)(CCCC)OS(=O)(=O)C(F)(F)F,"InChI=1S/C9H18BF3O3S/c1-3-5-7-10(8-6-4-2)16-17(14,15)9(11,12)13/h3-8H2,1-2H3",FAVAVMFXAKZTMV-UHFFFAOYSA-N,C9H18BF3O3S,274.11,274.1021803,,51.8,290,0,0,6,8,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3-Heptenoic acid, 7-(3,5-dihydroxy-2-(3-hydroxy-4-phenoxy-1-butenyl)cyclopenty",,5282710,(E)-hept-3-enoic acid,CCC/C=C/CC(=O)O,"InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h4-5H,2-3,6H2,1H3,(H,8,9)/b5-4+",BCYXFRMDZWKZSF-SNAWJCMRSA-N,C7H12O2,128.17,128.0837296,1.7,37.3,105,0,1,2,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
DIFLUOROACETIC ACID,000381-73-7,9788,"2,2-difluoroacetic acid",C(C(=O)O)(F)F,"InChI=1S/C2H2F2O2/c3-1(4)2(5)6/h1H,(H,5,6)",PBWZKZYHONABLN-UHFFFAOYSA-N,C2H2F2O2,96.03,96.00228563,0.6,37.3,60,0,1,4,1,6,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
SULFUR DIOXIDE,007446-09-5,1119,sulfur dioxide,O=S=O,InChI=1S/O2S/c1-3-2,RAHZWNYVWXNFOC-UHFFFAOYSA-N,O2S,64.07,63.96190041,0.1,35.1,18,0,0,3,0,3,,"14 °F at 760 mmHg (EPA, 1998)",0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"ALUMINUM CHLORIDE, ANHYDROUS",007446-70-0,24012,trichloroalumane,[Al](Cl)(Cl)Cl,InChI=1S/Al.3ClH/h;3*1H/q+3;;;/p-3,VSCWAEJMTAWNJL-UHFFFAOYSA-K,AlCl3,133.34,131.888096,,0,8,0,0,0,0,4,,"230 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
DICHLOROACETIC ACID,000079-43-6,6597,"2,2-dichloroacetic acid",C(C(=O)O)(Cl)Cl,"InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)",JXTHNDFMNIQAHM-UHFFFAOYSA-N,C2H2Cl2O2,128.94,127.9431847,0.9,37.3,60,0,1,2,1,6,"greater than 235 °F (NTP, 1992)","381 °F at 760 mmHg (NTP, 1992)",1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"SULFURIC ACID, >/=92 - </=98%",007664-93-9,1118,sulfuric acid,OS(=O)(=O)O,"InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)",QAOWNCQODCNURD-UHFFFAOYSA-N,H2O4S,98.08,97.96737971,-1.4,83,81,0,2,4,0,5,,"554 °F at 760 mmHg (EPA, 1998)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
VALERIC ACID,000109-52-4,7991,pentanoic acid,CCCCC(=O)O,"InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)",NQPDZGIKBAWPEJ-UHFFFAOYSA-N,C5H10O2,102.13,102.0680796,1.4,37.3,59,0,1,2,3,7,"192 °F (NTP, 1992)","365 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-ISOTRIDECYL-.OMEGA.-HYDROXY-, PHOSPHATE",073038-25-2,175401,2-(11-methyldodecoxy)ethanol;phosphoric acid,CC(C)CCCCCCCCCCOCCO.OP(=O)(O)O,"InChI=1S/C15H32O2.H3O4P/c1-15(2)11-9-7-5-3-4-6-8-10-13-17-14-12-16;1-5(2,3)4/h15-16H,3-14H2,1-2H3;(H3,1,2,3,4)",GMDAWUSGGYKEBW-UHFFFAOYSA-N,C15H35O6P,342.41,342.2171258,,107,185,0,4,6,13,22,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"OCTADECANAMIDE, N-[3-(DIMETHYLAMINO)PROPYL]-",007651-02-7,62109,N-[3-(dimethylamino)propyl]octadecanamide,CCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C,"InChI=1S/C23H48N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2)3/h4-22H2,1-3H3,(H,24,26)",WWVIUVHFPSALDO-UHFFFAOYSA-N,C23H48N2O,368.6,368.3766642,8.3,32.3,292,0,1,2,20,26,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM TETRAFLUOROBORATE,013755-29-8,4343483,sodium tetrafluoroborate,[B-](F)(F)(F)F.[Na+],"InChI=1S/BF4.Na/c2-1(3,4)5;/q-1;+1",KGJZTOFHXCFQIV-UHFFFAOYSA-N,BF4Na,109.8,109.9926871,,0,23,0,0,5,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ANTIMONY TRICHLORIDE,010025-91-9,24814,trichlorostibane,Cl[Sb](Cl)Cl,InChI=1S/3ClH.Sb/h3*1H;/q;;;+3/p-3,FAPDDOBMIUGHIN-UHFFFAOYSA-K,Cl3Sb,228.11,225.81037,,0,8,0,0,0,0,4,,"433 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
TRICHLOROACETIC ACID,000076-03-9,6421,"2,2,2-trichloroacetic acid",C(=O)(C(Cl)(Cl)Cl)O,"InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)",YNJBWRMUSHSURL-UHFFFAOYSA-N,C2HCl3O2,163.38,161.904212,1.3,37.3,83,0,1,2,0,7,"greater than 230 °F (NTP, 1992)","385 to 387 °F at 760 mmHg (NTP, 1992)",1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
DIETHYLAMINE HYDROCHLORIDE,000660-68-4,10197650,N-ethylethanamine;hydrochloride,CCNCC.Cl,"InChI=1S/C4H11N.ClH/c1-3-5-4-2;/h5H,3-4H2,1-2H3;1H",HDITUCONWLWUJR-UHFFFAOYSA-N,C4H12ClN,109.6,109.0658271,,12,11,0,2,1,2,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
FERRIC AMMONIUM SULFATE DODECAHYDRATE,007783-83-7,197097,azanium;iron(3+);disulfate;dodecahydrate,[NH4+].O.O.O.O.O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Fe+3],"InChI=1S/Fe.H3N.2H2O4S.12H2O/c;;2*1-5(2,3)4;;;;;;;;;;;;/h;1H3;2*(H2,1,2,3,4);12*1H2/q+3;;;;;;;;;;;;;;;/p-3",LCPUDZUWZDSKMX-UHFFFAOYSA-K,FeH28NO20S2,482.2,481.999545,,190,62,0,13,20,0,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ALPHA-KETOGLUTARIC ACID,000328-50-7,51,2-oxopentanedioic acid,C(CC(=O)O)C(=O)C(=O)O,"InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)",KPGXRSRHYNQIFN-UHFFFAOYSA-N,C5H6O5,146.1,146.0215233,-0.9,91.7,171,0,2,5,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM HYDROXYACETATE,002836-32-0,517347,sodium 2-hydroxyacetate,C(C(=O)[O-])O.[Na+],"InChI=1S/C2H4O3.Na/c3-1-2(4)5;/h3H,1H2,(H,4,5);/q;+1/p-1",VILMUCRZVVVJCA-UHFFFAOYSA-M,C2H3NaO3,98.03,97.99798824,,60.4,44,0,1,3,1,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-ACETYL-L-METHIONINE,000065-82-7,448580,(2S)-2-acetamido-4-methylsulfanylbutanoic acid,CC(=O)N[C@@H](CCSC)C(=O)O,"InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1",XUYPXLNMDZIRQH-LURJTMIESA-N,C7H13NO3S,191.25,191.0616145,0.1,91.7,172,0,2,4,5,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-(2-CHLOROETHOXY)ETHANOL,000628-89-7,12361,2-(2-chloroethoxy)ethanol,C(COCCCl)O,"InChI=1S/C4H9ClO2/c5-1-3-7-4-2-6/h6H,1-4H2",LECMBPWEOVZHKN-UHFFFAOYSA-N,C4H9ClO2,124.56,124.0291072,0,29.5,32,0,1,2,4,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-LAUROYLSARCOSINE,000097-78-9,7348,2-[dodecanoyl(methyl)amino]acetic acid,CCCCCCCCCCCC(=O)N(C)CC(=O)O,"InChI=1S/C15H29NO3/c1-3-4-5-6-7-8-9-10-11-12-14(17)16(2)13-15(18)19/h3-13H2,1-2H3,(H,18,19)",BACYUWVYYTXETD-UHFFFAOYSA-N,C15H29NO3,271.4,271.2147438,4.5,57.6,254,0,1,3,12,19,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM CETYL SULFATE,001120-01-0,23695542,sodium hexadecyl sulfate,CCCCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+],"InChI=1S/C16H34O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h2-16H2,1H3,(H,17,18,19);/q;+1/p-1",GGHPAKFFUZUEKL-UHFFFAOYSA-M,C16H33NaO4S,344.5,344.199725,,74.8,302,0,0,4,16,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM TRIDECYL ETHER SULFATE,025446-78-0,23668601,sodium 2-[2-(2-tridecoxyethoxy)ethoxy]ethyl sulfate,CCCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)[O-].[Na+],"InChI=1S/C19H40O7S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-23-14-15-24-16-17-25-18-19-26-27(20,21)22;/h2-19H2,1H3,(H,20,21,22);/q;+1/p-1",KLYDBHUQNXKACI-UHFFFAOYSA-M,C19H39NaO7S,434.6,434.231419,,103,388,0,0,7,22,28,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
TRIDECYL ALCOHOL,000112-70-9,8207,tridecan-1-ol,CCCCCCCCCCCCCO,"InChI=1S/C13H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h14H,2-13H2,1H3",XFRVVPUIAFSTFO-UHFFFAOYSA-N,C13H28O,200.36,200.2140155,5.7,20.2,91,0,1,1,11,14,"250 °F (USCG, 1999)","525 °F at 760 mmHg (USCG, 1999)",1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
D-TARTARIC ACID,000147-71-7,439655,"(2S,3S)-2,3-dihydroxybutanedioic acid",[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,"InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m0/s1",FEWJPZIEWOKRBE-LWMBPPNESA-N,C4H6O6,150.09,150.0164379,-1.9,115,134,0,4,6,3,10,210 °C c.c.,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
OCTYLTRIMETHOXYSILANE,003069-40-7,76485,trimethoxy(octyl)silane,CCCCCCCC[Si](OC)(OC)OC,"InChI=1S/C11H26O3Si/c1-5-6-7-8-9-10-11-15(12-2,13-3)14-4/h5-11H2,1-4H3",NMEPHPOFYLLFTK-UHFFFAOYSA-N,C11H26O3Si,234.41,234.1651212,,27.7,130,0,0,3,10,15,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
2-DIISOPROPYLAMINOETHYL METHACRYLATE,016715-83-6,28003,2-[di(propan-2-yl)amino]ethyl 2-methylprop-2-enoate,CC(C)N(CCOC(=O)C(=C)C)C(C)C,"InChI=1S/C12H23NO2/c1-9(2)12(14)15-8-7-13(10(3)4)11(5)6/h10-11H,1,7-8H2,2-6H3",SVYHMICYJHWXIN-UHFFFAOYSA-N,C12H23NO2,213.32,213.172879,2.8,29.5,214,0,0,3,7,15,,BP: 120 °C at 15 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"PHOSPHONIC ACID, BIS(2-ETHYLHEXYL) ESTER",003658-48-8,6327514,bis(2-ethylhexoxy)-oxophosphanium,CCCCC(CC)CO[P+](=O)OCC(CC)CCCC,"InChI=1S/C16H34O3P/c1-5-9-11-15(7-3)13-18-20(17)19-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3/q+1",ZLMKQJQJURXYLC-UHFFFAOYSA-N,C16H34O3P+,305.41,305.2245569,6.2,35.5,212,1,0,3,14,20,,150 °C at 1 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CALCIUM TIN OXIDE,012013-46-6,3084098,calcium dioxido(oxo)tin,[O-][Sn](=O)[O-].[Ca+2],InChI=1S/Ca.3O.Sn/q+2;;2*-1;,HNQGTZYKXIXXST-UHFFFAOYSA-N,CaO3Sn,206.79,207.849537,,63.2,18,0,0,3,0,5,,,0,0,0,0,0,1,1,1,0,0,0,0,0,1,0,0,1,0,1,1
2-[[(BUTYLAMINO)CARBONYL]OXY]ETHYL ESTER 2-PROPENOIC ACID,063225-53-6,113159,2-(butylcarbamoyloxy)ethyl prop-2-enoate,CCCCNC(=O)OCCOC(=O)C=C,"InChI=1S/C10H17NO4/c1-3-5-6-11-10(13)15-8-7-14-9(12)4-2/h4H,2-3,5-8H2,1H3,(H,11,13)",FLKHVLRENDBIDB-UHFFFAOYSA-N,C10H17NO4,215.25,215.115758,1.7,64.6,215,0,1,4,9,15,,,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
4-(TRIMETHOXYSILYL)BUTYRONITRILE,055453-24-2,2757978,4-trimethoxysilylbutanenitrile,CO[Si](CCCC#N)(OC)OC,"InChI=1S/C7H15NO3Si/c1-9-12(10-2,11-3)7-5-4-6-8/h4-5,7H2,1-3H3",FPJPAIQDDFIEKJ-UHFFFAOYSA-N,C7H15NO3Si,189.28,189.0821199,,51.5,153,0,0,4,6,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9-OCTADECENAMIDE, 12-HYDROXY-N-(2-HYDROXYETHYL)-, [R-(Z)]-",000106-16-1,20838731,"(Z,12R)-12-hydroxy-N-(2-hydroxyethyl)octadec-9-enamide",CCCCCC[C@H](C/C=C\CCCCCCCC(=O)NCCO)O,"InChI=1S/C20H39NO3/c1-2-3-4-11-14-19(23)15-12-9-7-5-6-8-10-13-16-20(24)21-17-18-22/h9,12,19,22-23H,2-8,10-11,13-18H2,1H3,(H,21,24)/b12-9-/t19-/m1/s1",JYDIHAYTECQGQK-UZRURVBFSA-N,C20H39NO3,341.5,341.2929941,4.8,69.6,305,0,3,3,17,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3-OCTANOL, 3,6-DIMETHYL-",000151-19-9,9027,"3,6-dimethyloctan-3-ol",CCC(C)CCC(C)(CC)O,"InChI=1S/C10H22O/c1-5-9(3)7-8-10(4,11)6-2/h9,11H,5-8H2,1-4H3",NPHCXUPGMINOPP-UHFFFAOYSA-N,C10H22O,158.28,158.1670653,3.3,20.2,101,0,1,1,5,11,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-PENTANEDIOL, 3-(HYDROXYMETHYL)-",000921-20-0,61234,"3-(hydroxymethyl)pentane-2,4-diol",CC(C(CO)C(C)O)O,"InChI=1S/C6H14O3/c1-4(8)6(3-7)5(2)9/h4-9H,3H2,1-2H3",WPTUDAOQIXOMIQ-UHFFFAOYSA-N,C6H14O3,134.17,134.0942943,-0.7,60.7,66,0,3,3,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"OCTANAMIDE, N,N-DIMETHYL-",001118-92-9,14240,"N,N-dimethyloctanamide",CCCCCCCC(=O)N(C)C,"InChI=1S/C10H21NO/c1-4-5-6-7-8-9-10(12)11(2)3/h4-9H2,1-3H3",VHRUBWHAOUIMDW-UHFFFAOYSA-N,C10H21NO,171.28,171.1623143,3,20.3,121,0,0,1,6,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHORIC ACID, ALUMINUM SODIUM SALT",007785-88-8,3032541,aluminum;sodium;phosphate,[O-]P(=O)([O-])[O-].[Na+].[Al+3],"InChI=1S/Al.Na.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q+3;+1;/p-3",GHHVYBBTKTVOPA-UHFFFAOYSA-K,AlNaO4P+,144.943,144.9247282,,86.3,36,1,0,4,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
HOLMIUM IODIDE (HOI3),013813-41-7,83748,triiodoholmium,I[Ho](I)I,InChI=1S/Ho.3HI/h;3*1H/q+3;;;/p-3,KXCRAPCRWWGWIW-UHFFFAOYSA-K,HoI3,545.6437,545.6437,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,1,0,1,1,0,1
"2,4,4-TRIMETHYLHEXAMETHYLENE DIISOCYANATE",015646-96-5,61807,"1,6-diisocyanato-2,4,4-trimethylhexane",CC(CC(C)(C)CCN=C=O)CN=C=O,"InChI=1S/C11H18N2O2/c1-10(7-13-9-15)6-11(2,3)4-5-12-8-14/h10H,4-7H2,1-3H3",QGLRLXLDMZCFBP-UHFFFAOYSA-N,C11H18N2O2,210.27,210.1368278,4.5,58.9,274,0,0,4,7,15,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"BUTANEDIOIC ACID, SULFO-, 4-[2-[(1-OXO-10-UNDECENYL)AMINO]ETHYL] ESTER, DISODI",026650-05-5,117833,disodium;4-oxo-2-sulfonato-4-[2-(undec-10-enoylamino)ethoxy]butanoate,C=CCCCCCCCCC(=O)NCCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C17H29NO8S.2Na/c1-2-3-4-5-6-7-8-9-10-15(19)18-11-12-26-16(20)13-14(17(21)22)27(23,24)25;;/h2,14H,1,3-13H2,(H,18,19)(H,21,22)(H,23,24,25);;/q;2*+1/p-2",UJANBUQPBCDVSB-UHFFFAOYSA-L,C17H27NNa2O8S,451.4,451.1252766,,161,563,0,1,8,15,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BUTANEDIOIC ACID, (TETRAPROPENYL)-",027859-58-1,15932745,"2,2,3,3-tetrakis(prop-2-enyl)butanedioic acid",C=CCC(CC=C)(C(=O)O)C(CC=C)(CC=C)C(=O)O,"InChI=1S/C16H22O4/c1-5-9-15(10-6-2,13(17)18)16(11-7-3,12-8-4)14(19)20/h5-8H,1-4,9-12H2,(H,17,18)(H,19,20)",GSONHGLQHNTBED-UHFFFAOYSA-N,C16H22O4,278.34,278.1518092,3.4,74.6,360,0,2,4,11,20,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"BUTANEDIOIC ACID, SULFO-, 1,4-DIISODECYL ESTER, SODIUM SALT",029857-13-4,23688938,"sodium 1,4-bis(8-methylnonoxy)-1,4-dioxobutane-2-sulfonate",CC(C)CCCCCCCOC(=O)CC(C(=O)OCCCCCCCC(C)C)S(=O)(=O)[O-].[Na+],"InChI=1S/C24H46O7S.Na/c1-20(2)15-11-7-5-9-13-17-30-23(25)19-22(32(27,28)29)24(26)31-18-14-10-6-8-12-16-21(3)4;/h20-22H,5-19H2,1-4H3,(H,27,28,29);/q;+1/p-1",XXIOSJPZBMCGGL-UHFFFAOYSA-M,C24H45NaO7S,500.7,500.2783692,,118,600,0,0,7,22,33,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-PROPENOIC ACID, OXYBIS(METHYL-2,1-ETHANEDIYL) ESTER",057472-68-1,3034434,1-(2-prop-2-enoyloxypropoxy)propan-2-yl prop-2-enoate,CC(COCC(C)OC(=O)C=C)OC(=O)C=C,"InChI=1S/C12H18O5/c1-5-11(13)16-9(3)7-15-8-10(4)17-12(14)6-2/h5-6,9-10H,1-2,7-8H2,3-4H3",RNJVAUBBYGWVBF-UHFFFAOYSA-N,C12H18O5,242.27,242.1154237,1.9,61.8,257,0,0,5,10,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-DODECYL-.OMEGA.-HYDROXY-, PHOSPHATE, POTASSI",058318-92-6,172878348,potassium;2-dodecoxyethanol;hydride;phosphoric acid,[H-].CCCCCCCCCCCCOCCO.OP(=O)(O)O.[K+],"InChI=1S/C14H30O2.K.H3O4P.H/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15;;1-5(2,3)4;/h15H,2-14H2,1H3;;(H3,1,2,3,4);/q;+1;;-1",HRFHTWJDLAUQPA-UHFFFAOYSA-N,C14H34KO6P,368.49,368.1730073,,107,165,0,4,7,13,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"9-OCTADECEN-1-OL, HYDROGEN PHOSPHATE",064051-27-0,6437965,bis[(E)-octadec-9-enyl] hydrogen phosphate,CCCCCCCC/C=C/CCCCCCCCOP(=O)(OCCCCCCCC/C=C/CCCCCCCC)O,"InChI=1S/C36H71O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-41(37,38)40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-36H2,1-2H3,(H,37,38)/b19-17+,20-18+",WFFZELZOEWLYNK-XPWSMXQVSA-N,C36H71O4P,598.9,598.5089977,14.8,55.8,556,0,1,4,34,41,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHONIC ACID, OCTYL-, MONOETHYL ESTER, POTASSIUM SALT",068134-28-1,23668663,potassium ethoxy(octyl)phosphinate,CCCCCCCCP(=O)([O-])OCC.[K+],"InChI=1S/C10H23O3P.K/c1-3-5-6-7-8-9-10-14(11,12)13-4-2;/h3-10H2,1-2H3,(H,11,12);/q;+1/p-1",YZLKHJOLQACLBS-UHFFFAOYSA-M,C10H22KO3P,260.35,260.094363,,49.4,176,0,0,3,9,15,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
LANTHANUM CHLORIDE HEXAHYDRATE,017272-45-6,186025,lanthanum(3+);trichloride;hexahydrate,O.O.O.O.O.O.[Cl-].[Cl-].[Cl-].[La+3],InChI=1S/3ClH.La.6H2O/h3*1H;;6*1H2/q;;;+3;;;;;;/p-3,CWDUIOHBERXKIX-UHFFFAOYSA-K,Cl3H12LaO6,353.35,351.876309,,6,0,0,6,9,0,10,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
DEA-STEARATE,002717-16-0,168961,2-(2-hydroxyethylamino)ethanol;octadecanoic acid,CCCCCCCCCCCCCCCCCC(=O)O.C(CO)NCCO,"InChI=1S/C18H36O2.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;6-3-1-5-2-4-7/h2-17H2,1H3,(H,19,20);5-7H,1-4H2",RZEWIYUUNKCGKA-UHFFFAOYSA-N,C22H47NO4,389.6,389.350509,,89.8,230,0,4,5,20,27,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"NEODECANOIC ACID, LITHIUM SALT",027253-30-1,121494078,"lithium 2,2-dimethyloctanoate",[Li+].CCCCCCC(C)(C)C(=O)[O-],"InChI=1S/C10H20O2.Li/c1-4-5-6-7-8-10(2,3)9(11)12;/h4-8H2,1-3H3,(H,11,12);/q;+1/p-1",UYJWIOOSBWGYFR-UHFFFAOYSA-M,C10H19LiO2,178.2,178.1545083,,40.1,144,0,0,2,6,13,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-BUTENOIC ACID, POLYMER WITH ETHENYL ACETATE AND .ALPHA.-HYDRO-.OMEGA.-HYDROX",068134-63-4,19499,but-2-enoic acid,CC=CC(=O)O,"InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)",LDHQCZJRKDOVOX-UHFFFAOYSA-N,C4H6O2,86.09,86.03677943,0.7,37.3,73,0,1,2,1,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AMMONIUM FORMATE,000540-69-2,2723923,azanium formate,C(=O)[O-].[NH4+],"InChI=1S/CH2O2.H3N/c2-1-3;/h1H,(H,2,3);1H3",VZTDIZULWFCMLS-UHFFFAOYSA-N,CH5NO2,63.056,63.0320284,,41.1,7,0,1,2,0,4,,180 °C DECOMP,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AMMONIUM IODIDE,012027-06-4,25487,azanium iodide,[NH4+].[I-],InChI=1S/HI.H3N/h1H;1H3,UKFWSNCTAHXBQN-UHFFFAOYSA-N,H4IN,144.943,144.93885,,1,0,0,1,1,0,2,,220 °C (VACUUM),0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CETYL IODIDE,000544-77-4,11007,1-iodohexadecane,CCCCCCCCCCCCCCCCI,"InChI=1S/C16H33I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3",KMWHQYDMBYABKL-UHFFFAOYSA-N,C16H33I,352.34,352.1627,9.6,0,123,0,0,0,14,17,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIMETHYLAMINE HYDROCHLORIDE,000593-81-7,10313079,"N,N-dimethylmethanamine;hydrochloride",CN(C)C.Cl,InChI=1S/C3H9N.ClH/c1-4(2)3;/h1-3H3;1H,SZYJELPVAFJOGJ-UHFFFAOYSA-N,C3H10ClN,95.57,95.050177,,3.2,8,0,1,1,0,5,,Sub 200 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-AMINO-2-METHYL-1-PROPANOL,000124-68-5,11807,2-amino-2-methylpropan-1-ol,CC(C)(CO)N,"InChI=1S/C4H11NO/c1-4(2,5)3-6/h6H,3,5H2,1-2H3",CBTVGIZVANVGBH-UHFFFAOYSA-N,C4H11NO,89.14,89.08406397,-0.8,46.3,42,0,2,2,1,6,"153 °F (USCG, 1999)","329 °F at 760 mmHg (99+% compound) (USCG, 1999)",0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
2-ETHYLHEXYL ACETATE,000103-09-3,7635,2-ethylhexyl acetate,CCCCC(CC)COC(=O)C,"InChI=1S/C10H20O2/c1-4-6-7-10(5-2)8-12-9(3)11/h10H,4-8H2,1-3H3",WOYWLLHHWAMFCB-UHFFFAOYSA-N,C10H20O2,172.26,172.1463299,3.2,26.3,121,0,0,2,7,12,"160 °F (USCG, 1999)","378 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
RUBIDIUM CARBONATE,000584-09-8,11431,bis(rubidium(1+));carbonate,C(=O)([O-])[O-].[Rb+].[Rb+],"InChI=1S/CH2O3.2Rb/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2",WPFGFHJALYCVMO-UHFFFAOYSA-L,CO3Rb2,230.944,229.8083233,,63.2,18,0,0,3,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CHOLINE CHLORIDE,000067-48-1,6209,2-hydroxyethyl(trimethyl)azanium chloride,C[N+](C)(C)CCO.[Cl-],"InChI=1S/C5H14NO.ClH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1",SGMZJAMFUVOLNK-UHFFFAOYSA-M,C5H14ClNO,139.62,139.0763918,,20.2,46,0,1,2,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PUTRESCINE DIHYDROCHLORIDE,000333-93-7,9532,"butane-1,4-diamine;dihydrochloride",C(CCN)CN.Cl.Cl,InChI=1S/C4H12N2.2ClH/c5-3-1-2-4-6;;/h1-6H2;2*1H,XXWCODXIQWIHQN-UHFFFAOYSA-N,C4H14Cl2N2,161.07,160.0534038,,52,17,0,4,2,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIDECANOIC ACID,000638-53-9,12530,tridecanoic acid,CCCCCCCCCCCCC(=O)O,"InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)",SZHOJFHSIKHZHA-UHFFFAOYSA-N,C13H26O2,214.34,214.1932801,4.7,37.3,143,0,1,2,11,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MALEIC ACID MONOSODIUM SALT,003105-55-3,23665635,sodium (Z)-4-hydroxy-4-oxobut-2-enoate,C(=C\C(=O)[O-])\C(=O)O.[Na+],"InChI=1S/C4H4O4.Na/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+1/p-1/b2-1-;",VRVKOZSIJXBAJG-ODZAUARKSA-M,C4H3NaO4,138.05,137.9929029,,77.4,140,0,1,4,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CALCIUM IODIDE,010102-68-8,5462722,calcium diiodide,[Ca+2].[I-].[I-],InChI=1S/Ca.2HI/h;2*1H/q+2;;/p-2,UNMYWSMUMWPJLR-UHFFFAOYSA-L,CaI2,293.89,293.77154,,0,0,0,0,2,0,3,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
CESIUM IODIDE,007789-17-5,24601,cesium iodide,[I-].[Cs+],InChI=1S/Cs.HI/h;1H/q+1;/p-1,XQPRBTXUXXVTKB-UHFFFAOYSA-M,CsI,259.8099,259.80992,,0,2,0,0,1,0,2,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
TETRAHEPTYLAMMONIUM CHLORIDE,010247-90-2,82489,tetraheptylazanium chloride,CCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC.[Cl-],"InChI=1S/C28H60N.ClH/c1-5-9-13-17-21-25-29(26-22-18-14-10-6-2,27-23-19-15-11-7-3)28-24-20-16-12-8-4;/h5-28H2,1-4H3;1H/q+1;/p-1",VMJQVRWCDVLJSI-UHFFFAOYSA-M,C28H60ClN,446.2,445.4414286,,0,237,0,0,1,24,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-AMINOMETHYLPHOSPHONIC ACID,001066-51-9,14017,aminomethylphosphonic acid,C(N)P(=O)(O)O,"InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)",MGRVRXRGTBOSHW-UHFFFAOYSA-N,CH6NO3P,111.04,111.0085301,-4.7,83.6,74,0,3,4,1,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
VANADIUM(IV) OXIDE,012036-21-4,82849,dioxovanadium,O=[V]=O,InChI=1S/2O.V,GRUMUEUJTSXQOI-UHFFFAOYSA-N,O2V,82.94,82.933787,,34.1,18,0,0,2,0,3,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
DIETHYL METHYLPHOSPHONATE,000683-08-9,12685,1-[ethoxy(methyl)phosphoryl]oxyethane,CCOP(=O)(C)OCC,"InChI=1S/C5H13O3P/c1-4-7-9(3,6)8-5-2/h4-5H2,1-3H3",NYYLZXREFNYPKB-UHFFFAOYSA-N,C5H13O3P,152.13,152.0602313,0.4,35.5,103,0,0,3,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BROMOOCTADECANE,000112-89-0,8218,1-bromooctadecane,CCCCCCCCCCCCCCCCCCBr,"InChI=1S/C18H37Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3",WSULSMOGMLRGKU-UHFFFAOYSA-N,C18H37Br,333.4,332.20786,10.3,0,145,0,0,0,16,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1H,1H,7H-DODECAFLUORO-1-HEPTANOL",000335-99-9,67639,"2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-ol",C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,"InChI=1S/C7H4F12O/c8-2(9)4(12,13)6(16,17)7(18,19)5(14,15)3(10,11)1-20/h2,20H,1H2",BYKNGMLDSIEFFG-UHFFFAOYSA-N,C7H4F12O,332.09,332.0070527,3.8,20.2,348,0,1,13,6,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N-DIMETHYLGLYCINE HYDROCHLORIDE",002491-06-7,75605,2-(dimethylamino)acetic acid;hydrochloride,CN(C)CC(=O)O.Cl,"InChI=1S/C4H9NO2.ClH/c1-5(2)3-4(6)7;/h3H2,1-2H3,(H,6,7);1H",FKASAVXZZLJTNX-UHFFFAOYSA-N,C4H10ClNO2,139.58,139.0400063,,40.5,70,0,2,3,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM TRIPOLYPHOSPHATE,007758-29-4,24455,pentasodium;[oxido(phosphonatooxy)phosphoryl] phosphate,[O-]P(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+],"InChI=1S/5Na.H5O10P3/c;;;;;1-11(2,3)9-13(7,8)10-12(4,5)6/h;;;;;(H,7,8)(H2,1,2,3)(H2,4,5,6)/q5*+1;/p-5",HWGNBUXHKFFFIH-UHFFFAOYSA-I,Na5O10P3,367.86,367.8192786,,185,241,0,0,10,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ACETOACETIC ACID LITHIUM SALT,003483-11-2,2724246,lithium 3-oxobutanoate,[Li+].CC(=O)CC(=O)[O-],"InChI=1S/C4H6O3.Li/c1-3(5)2-4(6)7;/h2H2,1H3,(H,6,7);/q;+1/p-1",UTLRZTUJSMCBHB-UHFFFAOYSA-M,C4H5LiO3,108,108.0398725,,57.2,99,0,0,3,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-IODO-1,1,1-TRIFLUOROETHANE",000353-83-3,67709,"1,1,1-trifluoro-2-iodoethane",C(C(F)(F)F)I,"InChI=1S/C2H2F3I/c3-2(4,5)1-6/h1H2",RKOUFQLNMRAACI-UHFFFAOYSA-N,C2H2F3I,209.94,209.91533,2.4,0,38,0,0,3,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SAMARIUM SULFATE OCTAHYDRATE,013465-58-2,71311263,bis(samarium(3+));trisulfate;octahydrate,O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Sm+3].[Sm+3],"InChI=1S/3H2O4S.8H2O.2Sm/c3*1-5(2,3)4;;;;;;;;;;/h3*(H2,1,2,3,4);8*1H2;;/q;;;;;;;;;;;2*+3/p-6",SICAFVHZPBSARB-UHFFFAOYSA-H,H16O20S3Sm2,733,737.78166,,274,62,0,8,20,0,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRANS-ACONITIC ACID,004023-65-8,444212,"(E)-prop-1-ene-1,2,3-tricarboxylic acid",C(/C(=C\C(=O)O)/C(=O)O)C(=O)O,"InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1+",GTZCVFVGUGFEME-HNQUOIGGSA-N,C6H6O6,174.11,174.0164379,-1,112,251,0,3,6,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ACETYLCHOLINE CHLORIDE,000060-31-1,6060,2-acetyloxyethyl(trimethyl)azanium chloride,CC(=O)OCC[N+](C)(C)C.[Cl-],"InChI=1S/C7H16NO2.ClH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1",JUGOREOARAHOCO-UHFFFAOYSA-M,C7H16ClNO2,181.66,181.0869564,,26.3,115,0,0,3,4,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"MESO-2,3-DIMERCAPTOSUCCINIC ACID",000304-55-2,2724354,"(2S,3R)-2,3-bis(sulfanyl)butanedioic acid",[C@@H]([C@@H](C(=O)O)S)(C(=O)O)S,"InChI=1S/C4H6O4S2/c5-3(6)1(9)2(10)4(7)8/h1-2,9-10H,(H,5,6)(H,7,8)/t1-,2+",ACTRVOBWPAIOHC-XIXRPRMCSA-N,C4H6O4S2,182.2,181.970751,0.1,76.6,139,0,4,6,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
DITHIODIGLYCOLIC ACID,000505-73-7,68164,2-(carboxymethyldisulfanyl)acetic acid,C(C(=O)O)SSCC(=O)O,"InChI=1S/C4H6O4S2/c5-3(6)1-9-10-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)",DLLMHEDYJQACRM-UHFFFAOYSA-N,C4H6O4S2,182.2,181.970751,0.1,125,119,0,2,6,5,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-FLUOROETHYLAMINE HYDROCHLORIDE,000460-08-2,9995,2-fluoroethanamine;hydrochloride,C(CF)N.Cl,"InChI=1S/C2H6FN.ClH/c3-1-2-4;/h1-2,4H2;1H",YRRZGBOZBIVMJT-UHFFFAOYSA-N,C2H7ClFN,99.53,99.0251051,,26,10,0,2,2,1,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MONTMORILLONITE,001318-93-0,71586775,dialuminum;tetrakis(dioxosilane);tris(oxygen(2-));hydrate,O.[O-2].[O-2].[O-2].O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.[Al+3].[Al+3],InChI=1S/2Al.4O2Si.H2O.3O/c;;4*1-3-2;;;;/h;;;;;;1H2;;;/q2*+3;;;;;;3*-2,GUJOJGAPFQRJSV-UHFFFAOYSA-N,Al2H2O12Si4,360.31,359.825408,,141,18,0,1,12,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM HYPOCHLORITE PHOSPHATE,011084-85-8,61532,tridecasodium;hypochlorite;tetraphosphate,[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]Cl.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+],"InChI=1S/ClO.13Na.4H3O4P/c1-2;;;;;;;;;;;;;;4*1-5(2,3)4/h;;;;;;;;;;;;;;4*(H3,1,2,3,4)/q-1;13*+1;;;;/p-12",BAMNLULPLWLXPO-UHFFFAOYSA-B,ClNa13O17P4,730.2,729.6444499,,368,38,0,0,17,0,35,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,10-DIIODODECANE",016355-92-3,85378,"1,10-diiododecane",C(CCCCCI)CCCCI,InChI=1S/C10H20I2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-10H2,CKJCTZAIDVFHCX-UHFFFAOYSA-N,C10H20I2,394.07,393.96545,6.8,0,64,0,0,0,9,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
D-VALINE,000640-68-6,71563,(2R)-2-amino-3-methylbutanoic acid,CC(C)[C@H](C(=O)O)N,"InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m1/s1",KZSNJWFQEVHDMF-SCSAIBSYSA-N,C5H11NO2,117.15,117.0789786,-2.3,63.3,90,0,2,3,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
OCTADECYL MERCAPTAN,002885-00-9,17905,octadecane-1-thiol,CCCCCCCCCCCCCCCCCCS,"InChI=1S/C18H38S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3",QJAOYSPHSNGHNC-UHFFFAOYSA-N,C18H38S,286.6,286.2694224,9.4,1,145,0,1,1,16,19,185 °C,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
2-DIMETHYLAMINOETHANETHIOL HYDROCHLORIDE,013242-44-9,25798,2-(dimethylamino)ethanethiol;hydrochloride,CN(C)CCS.Cl,"InChI=1S/C4H11NS.ClH/c1-5(2)3-4-6;/h6H,3-4H2,1-2H3;1H",NRVFDGZJTPCULU-UHFFFAOYSA-N,C4H12ClNS,141.66,141.0378983,,4.2,28,0,2,2,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
D-GLUTAMIC ACID,006893-26-1,23327,(2R)-2-aminopentanedioic acid,C(CC(=O)O)[C@H](C(=O)O)N,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1",WHUUTDBJXJRKMK-GSVOUGTGSA-N,C5H9NO4,147.13,147.0531578,-3.7,101,145,0,3,5,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AMMONIUM SULFITE MONOHYDRATE,007783-11-1,21701053,diazanium;sulfite;hydrate,[NH4+].[NH4+].O.[O-]S(=O)[O-],"InChI=1S/2H3N.H2O3S.H2O/c;;1-4(2)3;/h2*1H3;(H2,1,2,3);1H2",ASPXBYAQZVXSNS-UHFFFAOYSA-N,H10N2O4S,134.16,134.036128,,85.4,18,0,3,5,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POTASSIUM TRIFLUOROMETHANESULFONATE,002926-27-4,23664779,potassium trifluoromethanesulfonate,C(F)(F)(F)S(=O)(=O)[O-].[K+],"InChI=1S/CHF3O3S.K/c2-1(3,4)8(5,6)7;/h(H,5,6,7);/q;+1/p-1",GLGXXYFYZWQGEL-UHFFFAOYSA-M,CF3KO3S,188.17,187.915731,,65.6,162,0,0,6,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-(DIMETHYLAMINO)BUTYRIC ACID HYDROCHLORIDE,069954-66-1,12691640,4-(dimethylamino)butanoic acid;hydrochloride,CN(C)CCCC(=O)O.Cl,"InChI=1S/C6H13NO2.ClH/c1-7(2)5-3-4-6(8)9;/h3-5H2,1-2H3,(H,8,9);1H",RDTALXUBMCLWBB-UHFFFAOYSA-N,C6H14ClNO2,167.63,167.0713064,,40.5,91,0,2,3,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TELLURIC ACID, DIHYDRATE",013451-14-4,102602573,telluric acid;dihydrate,O.O.O[Te](=O)(=O)O,"InChI=1S/H2O4Te.2H2O/c1-5(2,3)4;;/h(H2,1,2,3,4);2*1H2",VCYUGZHEVVXOPD-UHFFFAOYSA-N,H6O6Te,229.6,231.9226607,,76.6,81,0,4,6,0,7,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIACONTANOIC ACID,000506-50-3,10471,triacontanoic acid,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O,"InChI=1S/C30H60O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32/h2-29H2,1H3,(H,31,32)",VHOCUJPBKOZGJD-UHFFFAOYSA-N,C30H60O2,452.8,452.4593312,13.9,37.3,353,0,1,2,28,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
1-CHLORO-5-IODOPENTANE,060274-60-4,108914,1-chloro-5-iodopentane,C(CCCl)CCI,InChI=1S/C5H10ClI/c6-4-2-1-3-5-7/h1-5H2,GUUHKOCYWBEGGX-UHFFFAOYSA-N,C5H10ClI,232.49,231.95158,3.4,0,31,0,0,0,4,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-METHYL-BIS-(TRIFLUOROACETAMIDE),000815-06-5,69948,"2,2,2-trifluoro-N-methylacetamide",CNC(=O)C(F)(F)F,"InChI=1S/C3H4F3NO/c1-7-2(8)3(4,5)6/h1H3,(H,7,8)",IQNHBUQSOSYAJU-UHFFFAOYSA-N,C3H4F3NO,127.07,127.0244982,0.7,29.1,97,0,1,4,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POTASSIUM SODIUM ALUMINOSILICATE,012736-96-8,167713247,nonaaluminum;potassium;tetrasodium;octadecakis(dioxosilane);dotriacontahydroxide,[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.[Na+].[Na+].[Na+].[Na+].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[K+],InChI=1S/9Al.K.4Na.18O2Si.32H2O/c;;;;;;;;;;;;;;18*1-3-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;32*1H2/q9*+3;5*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-32,RMMMLVJEZSSEPS-UHFFFAOYSA-A,Al9H32KNa4O68Si18,1999.6,1997.245902,,647,18,0,32,68,0,100,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CERIUM(III) BROMIDE,014457-87-5,292780,tribromocerium,Br[Ce](Br)Br,InChI=1S/3BrH.Ce/h3*1H;/q;;;+3/p-3,MOOUSOJAOQPDEH-UHFFFAOYSA-K,Br3Ce,379.83,378.65841,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
FUMARIC ACID MONOETHYL ESTER,002459-05-4,5358902,(E)-4-ethoxy-4-oxobut-2-enoic acid,CCOC(=O)/C=C/C(=O)O,"InChI=1S/C6H8O4/c1-2-10-6(9)4-3-5(7)8/h3-4H,2H2,1H3,(H,7,8)/b4-3+",XLYMOEINVGRTEX-ONEGZZNKSA-N,C6H8O4,144.12,144.0422587,0.2,63.6,159,0,1,4,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-PROPYL-1-PENTANOL,058175-57-8,123543,2-propylpentan-1-ol,CCCC(CCC)CO,"InChI=1S/C8H18O/c1-3-5-8(7-9)6-4-2/h8-9H,3-7H2,1-2H3",LASHFHLFDRTERB-UHFFFAOYSA-N,C8H18O,130.23,130.1357652,2.7,20.2,46,0,1,1,5,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-IODOPROPYLTRIMETHOXYSILANE,014867-28-8,2759373,3-iodopropyl(trimethoxy)silane,CO[Si](CCCI)(OC)OC,"InChI=1S/C6H15IO3Si/c1-8-11(9-2,10-3)6-4-5-7/h4-6H2,1-3H3",NILZGRNPRBIQOG-UHFFFAOYSA-N,C6H15IO3Si,290.17,289.98352,,27.7,89,0,0,3,6,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GADOLINIUM SULFATE,013628-54-1,166873,bis(gadolinium(3+));trisulfate,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Gd+3].[Gd+3],"InChI=1S/2Gd.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6",QLAFITOLRQQGTE-UHFFFAOYSA-H,Gd2O12S3,602.7,605.70636,,266,62,0,0,12,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-ETHYL-2,4-PENTANEDIONE",001540-34-7,73761,"3-ethylpentane-2,4-dione",CCC(C(=O)C)C(=O)C,"InChI=1S/C7H12O2/c1-4-7(5(2)8)6(3)9/h7H,4H2,1-3H3",GUARKOVVHJSMRW-UHFFFAOYSA-N,C7H12O2,128.17,128.0837296,0.7,34.1,113,0,0,2,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAHEPTYLAMMONIUM BROMIDE,004368-51-8,78073,tetraheptylazanium bromide,CCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC.[Br-],"InChI=1S/C28H60N.BrH/c1-5-9-13-17-21-25-29(26-22-18-14-10-6-2,27-23-19-15-11-7-3)28-24-20-16-12-8-4;/h5-28H2,1-4H3;1H/q+1;/p-1",YQIVQBMEBZGFBY-UHFFFAOYSA-M,C28H60BrN,490.7,489.39091,,0,237,0,0,1,24,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRABUTYLAMMONIUM CHLORIDE HYDRATE,037451-68-6,16212273,tetrabutylazanium;chloride;hydrate,CCCC[N+](CCCC)(CCCC)CCCC.O.[Cl-],"InChI=1S/C16H36N.ClH.H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;/h5-16H2,1-4H3;1H;1H2/q+1;;/p-1",FODWRUPJCKASBN-UHFFFAOYSA-M,C16H38ClNO,295.9,295.2641925,,1,116,0,1,2,12,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BROMODODECANE,013187-99-0,98299,2-bromododecane,CCCCCCCCCCC(C)Br,"InChI=1S/C12H25Br/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12H,3-11H2,1-2H3",GIUUCQVKMWBSRT-UHFFFAOYSA-N,C12H25Br,249.23,248.11396,6.5,0,91,0,0,0,9,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIETHYL METHANETRICARBOXYLATE,006279-86-3,80471,triethyl methanetricarboxylate,CCOC(=O)C(C(=O)OCC)C(=O)OCC,"InChI=1S/C10H16O6/c1-4-14-8(11)7(9(12)15-5-2)10(13)16-6-3/h7H,4-6H2,1-3H3",AGZPNUZBDCYTBB-UHFFFAOYSA-N,C10H16O6,232.23,232.0946882,1.4,78.9,217,0,0,6,9,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
15-HYDROXYPENTADECANOIC ACID,004617-33-8,78360,15-hydroxypentadecanoic acid,C(CCCCCCCO)CCCCCCC(=O)O,"InChI=1S/C15H30O3/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15(17)18/h16H,1-14H2,(H,17,18)",BZUNJUAMQZRJIP-UHFFFAOYSA-N,C15H30O3,258.4,258.2194948,4.2,57.5,181,0,2,3,14,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
GIRARD'S REAGENT T,000123-46-6,67156,(2-hydrazinyl-2-oxoethyl)-trimethylazanium chloride,C[N+](C)(C)CC(=O)NN.[Cl-],"InChI=1S/C5H13N3O.ClH/c1-8(2,3)4-5(9)7-6;/h4,6H2,1-3H3;1H",YSULOORXQBDPCU-UHFFFAOYSA-N,C5H14ClN3O,167.64,167.0825398,,55.1,105,0,2,3,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-DIBROMOHEXANE",000624-20-4,102451,"1,2-dibromohexane",CCCCC(CBr)Br,"InChI=1S/C6H12Br2/c1-2-3-4-6(8)5-7/h6H,2-5H2,1H3",NUUUANNAZVEWHM-UHFFFAOYSA-N,C6H12Br2,243.97,243.92853,3.6,0,45,0,0,0,4,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LANTHANUM SULFATE,010099-60-2,159259,bis(lanthanum(3+));trisulfate,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[La+3].[La+3],"InChI=1S/2La.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6",VQEHIYWBGOJJDM-UHFFFAOYSA-H,La2O12S3,566,565.66791,,266,62,0,0,12,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CERIUM(III) CHLORIDE HEPTAHYDRATE,018618-55-8,21585214,cerium(3+);trichloride;heptahydrate,O.O.O.O.O.O.O.[Cl-].[Cl-].[Cl-].[Ce+3],InChI=1S/Ce.3ClH.7H2O/h;3*1H;7*1H2/q+3;;;;;;;;;;/p-3,KPZSTOVTJYRDIO-UHFFFAOYSA-K,CeCl3H14O7,372.58,370.88596,,7,0,0,7,10,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-METHOXYPROPIONITRILE,000110-67-8,61032,3-methoxypropanenitrile,COCCC#N,"InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3",OOWFYDWAMOKVSF-UHFFFAOYSA-N,C4H7NO,85.1,85.05276385,-0.2,33,61,0,0,2,2,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
YTTRIUM BROMIDE,013469-98-2,83505,tribromoyttrium,Br[Y](Br)Br,InChI=1S/3BrH.Y/h3*1H;/q;;;+3/p-3,FSDCGXUNLWDJNL-UHFFFAOYSA-K,Br3Y,328.62,327.6588,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIETHYL DIETHYLMALONATE,000077-25-8,66165,"diethyl 2,2-diethylpropanedioate",CCC(CC)(C(=O)OCC)C(=O)OCC,"InChI=1S/C11H20O4/c1-5-11(6-2,9(12)14-7-3)10(13)15-8-4/h5-8H2,1-4H3",ZKBBUZRGPULIRN-UHFFFAOYSA-N,C11H20O4,216.27,216.1361591,2.5,52.6,199,0,0,4,8,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AMMONIUM OLEATE,000544-60-5,6435897,azane;(Z)-octadec-9-enoic acid,CCCCCCCC/C=C\CCCCCCCC(=O)O.N,"InChI=1S/C18H34O2.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);1H3/b10-9-;",WFXRJNDIBXZNJK-KVVVOXFISA-N,C18H37NO2,299.5,299.2824294,,38.3,234,0,2,3,15,21,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H,1H-PERFLUORO-1-HEPTANOL",000375-82-6,550386,"2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptan-1-ol",C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,"InChI=1S/C7H3F13O/c8-2(9,1-21)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h21H,1H2",STLNAVFVCIRZLL-UHFFFAOYSA-N,C7H3F13O,350.08,349.9976308,4,20.2,380,0,1,14,5,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MAGNESIUM OLEATE,001555-53-9,6433282,magnesium bis((Z)-octadec-9-enoate),CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[Mg+2],"InChI=1S/2C18H34O2.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+2/p-2/b2*10-9-;",TYYXXEAZZVHRDF-CVBJKYQLSA-L,C36H66MgO4,587.2,586.4811523,,80.3,228,0,0,4,28,41,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ELAIDIC ACID,000112-79-8,637517,(E)-octadec-9-enoic acid,CCCCCCCC/C=C/CCCCCCCC(=O)O,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+",ZQPPMHVWECSIRJ-MDZDMXLPSA-N,C18H34O2,282.5,282.2558803,6.5,37.3,234,0,1,2,15,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
YTTRIUM ACETATE HYDRATE,304675-69-2,57376990,yttrium(3+);triacetate;hydrate,CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].O.[Y+3],"InChI=1S/3C2H4O2.H2O.Y/c3*1-2(3)4;;/h3*1H3,(H,3,4);1H2;/q;;;;+3/p-3",JRKVGRAQLBXGQB-UHFFFAOYSA-K,C6H11O7Y,284.05,283.956316,,121,25,0,1,7,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
11-METHYLLAURIC ACID,005681-98-1,33002,11-methyldodecanoic acid,CC(C)CCCCCCCCCC(=O)O,"InChI=1S/C13H26O2/c1-12(2)10-8-6-4-3-5-7-9-11-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)",SIOLDWZBFABPJU-UHFFFAOYSA-N,C13H26O2,214.34,214.1932801,4.5,37.3,153,0,1,2,10,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ZIRCONIUM(IV) ISOPROPOXIDE ISOPROPANOL COMPLEX,014717-56-7,11269231,pentakis(propan-2-ol);zirconium,CC(C)O.CC(C)O.CC(C)O.CC(C)O.CC(C)O.[Zr],"InChI=1S/5C3H8O.Zr/c5*1-3(2)4;/h5*3-4H,1-2H3;",OTVICDBMBMSJAJ-UHFFFAOYSA-N,C15H40O5Zr,391.7,390.192273,,101,83,0,5,5,0,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIMETHYLSILYL N-(TRIMETHYLSILYL)CARBAMATE,035342-88-2,3015764,trimethylsilyl N-trimethylsilylcarbamate,C[Si](C)(C)NC(=O)O[Si](C)(C)C,"InChI=1S/C7H19NO2Si2/c1-11(2,3)8-7(9)10-12(4,5)6/h1-6H3,(H,8,9)",DGIJAZGPLFOQJE-UHFFFAOYSA-N,C7H19NO2Si2,205.4,205.0954319,,38.3,169,0,1,2,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
10-HYDROXYDECANOIC ACID,001679-53-4,74300,10-hydroxydecanoic acid,C(CCCCC(=O)O)CCCCO,"InChI=1S/C10H20O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h11H,1-9H2,(H,12,13)",YJCJVMMDTBEITC-UHFFFAOYSA-N,C10H20O3,188.26,188.1412445,2.5,57.5,123,0,2,3,9,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MOLYBDENUM (III) BROMIDE,013446-57-6,83472,tribromomolybdenum,Br[Mo](Br)Br,InChI=1S/3BrH.Mo/h3*1H;/q;;;+3/p-3,YPFBRNLUIFQCQL-UHFFFAOYSA-K,Br3Mo,335.66,336.65837,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
15-METHYLHEPTADECANOIC ACID,029709-08-8,4169198,15-methylheptadecanoic acid,CCC(C)CCCCCCCCCCCCCC(=O)O,"InChI=1S/C18H36O2/c1-3-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)",MAFSBQRWNXDTRK-UHFFFAOYSA-N,C18H36O2,284.5,284.2715304,7.9,37.3,213,0,1,2,15,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
15-METHYLPALMITIC ACID,001603-03-8,164860,15-methylhexadecanoic acid,CC(C)CCCCCCCCCCCCCC(=O)O,"InChI=1S/C17H34O2/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)",IIUXHTGBZYEGHI-UHFFFAOYSA-N,C17H34O2,270.5,270.2558803,6.6,37.3,199,0,1,2,14,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIMETHYLOCTYLAMMONIUM BROMIDE,002083-68-3,74964,trimethyl(octyl)azanium bromide,CCCCCCCC[N+](C)(C)C.[Br-],"InChI=1S/C11H26N.BrH/c1-5-6-7-8-9-10-11-12(2,3)4;/h5-11H2,1-4H3;1H/q+1;/p-1",XCOHAFVJQZPUKF-UHFFFAOYSA-M,C11H26BrN,252.23,251.12486,,0,91,0,0,1,7,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(TRIMETHYLSILYL)ACETIC ACID,002345-38-2,75366,2-trimethylsilylacetic acid,C[Si](C)(C)CC(=O)O,"InChI=1S/C5H12O2Si/c1-8(2,3)4-5(6)7/h4H2,1-3H3,(H,6,7)",JDMMZVAKMAONFU-UHFFFAOYSA-N,C5H12O2Si,132.23,132.0606562,,37.3,93,0,1,2,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CERIUM (III) SULFATE OCTAHYDRATE,010450-59-6,16212929,bis(cerium(3+));trisulfate;octahydrate,O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Ce+3].[Ce+3],"InChI=1S/2Ce.3H2O4S.8H2O/c;;3*1-5(2,3)4;;;;;;;;/h;;3*(H2,1,2,3,4);8*1H2/q2*+3;;;;;;;;;;;/p-6",PQBKXYUMEMUVIH-UHFFFAOYSA-H,Ce2H16O20S3,712.6,711.7506,,274,62,0,8,20,0,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CESIUM MOLYBDATE,013597-64-3,22026375,dicesium;dioxido(dioxo)molybdenum,[O-][Mo](=O)(=O)[O-].[Cs+].[Cs+],InChI=1S/2Cs.Mo.4O/q2*+1;;;;2*-1,AGNOBAWAZFBMMI-UHFFFAOYSA-N,Cs2MoO4,425.76,427.695966,,80.3,62,0,0,4,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SILVER PHOSPHATE,007784-09-0,159913,trisilver;phosphate,[O-]P(=O)([O-])[O-].[Ag+].[Ag+].[Ag+],"InChI=1S/3Ag.H3O4P/c;;;1-5(2,3)4/h;;;(H3,1,2,3,4)/q3*+1;/p-3",FJOLTQXXWSRAIX-UHFFFAOYSA-K,Ag3O4P,418.576,417.66836,,86.3,36,0,0,4,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BORIC-10B ACID,013813-79-1,11343982,trihydroxy(10B)borane,[10B](O)(O)O,InChI=1S/BH3O3/c2-1(3)4/h2-4H/i1-1,KGBXLFKZBHKPEV-BJUDXGSMSA-N,BH3O3,61.035,61.0211558,,60.7,8,0,3,3,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
YTTRIUM PHOSPHATE,013990-54-0,10313406,yttrium(3+) phosphate,[O-]P(=O)([O-])[O-].[Y+3],"InChI=1S/H3O4P.Y/c1-5(2,3)4;/h(H3,1,2,3,4);/q;+3/p-3",UXBZSSBXGPYSIL-UHFFFAOYSA-K,O4PY,183.877,183.859259,,86.3,36,0,0,4,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POLYOXYETHYLENE SORBITOL HEXAOLEATE,059800-21-4,156595034,"(Z)-octadec-9-enoic acid;2-[2,3,4,5,6-pentakis(2-hydroxyethoxy)hexoxy]ethanol",CCCCCCCC/C=C\CCCCCCCC(=O)O.C(COCC(C(C(C(COCCO)OCCO)OCCO)OCCO)OCCO)O,"InChI=1S/C18H38O12.C18H34O2/c19-1-7-25-13-15(27-9-3-21)17(29-11-5-23)18(30-12-6-24)16(28-10-4-22)14-26-8-2-20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h15-24H,1-14H2;9-10H,2-8,11-17H2,1H3,(H,19,20)/b;10-9-",IQSJAAFHGCILRF-SVMKZPJVSA-N,C36H72O14,728.9,728.492207,,214,551,0,7,14,38,50,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYLAMINOACETONITRILE HYDROCHLORIDE,025808-30-4,117641,2-(methylamino)acetonitrile;hydrochloride,CNCC#N.Cl,"InChI=1S/C3H6N2.ClH/c1-5-3-2-4;/h5H,3H2,1H3;1H",DFKBQHBEROHUNF-UHFFFAOYSA-N,C3H7ClN2,106.55,106.0297759,,35.8,49,0,2,2,1,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
STEARYL METHACRYLATE,032360-05-7,122600,octadecyl 2-methylprop-2-enoate,CCCCCCCCCCCCCCCCCCOC(=O)C(=C)C,"InChI=1S/C22H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-22(23)21(2)3/h2,4-20H2,1,3H3",HMZGPNHSPWNGEP-UHFFFAOYSA-N,C22H42O2,338.6,338.3184806,10.5,26.3,296,0,0,2,19,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
STRONTIUM NIOBIUM OXIDE,012034-89-8,166009,distrontium;bis(niobium(5+));heptakis(oxygen(2-)),[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Sr+2].[Sr+2].[Nb+5].[Nb+5],InChI=1S/2Nb.7O.2Sr/q2*+5;7*-2;2*+2,VIUKNDFMFRTONS-UHFFFAOYSA-N,Nb2O7Sr2,473,473.58837,,7,0,0,0,7,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
INDIUM (III) FLUORIDE,007783-52-0,82212,trifluoroindigane,F[In](F)F,InChI=1S/3FH.In/h3*1H;/q;;;+3/p-3,JNLSTWIBJFIVHZ-UHFFFAOYSA-K,F3In,171.813,171.8990883,,0,8,0,0,3,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIMETHYL ADIPIMIDATE DIHYDROCHLORIDE,014620-72-5,12876176,dimethyl hexanediimidate;dihydrochloride,COC(=N)CCCCC(=N)OC.Cl.Cl,"InChI=1S/C8H16N2O2.2ClH/c1-11-7(9)5-3-4-6-8(10)12-2;;/h9-10H,3-6H2,1-2H3;2*1H",IEUUDEWWMRQUDS-UHFFFAOYSA-N,C8H18Cl2N2O2,245.14,244.0745332,,66.2,139,0,4,4,7,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DL-ALANINE METHYL ESTHER HYDROCHLORIDE,013515-97-4,2756298,methyl 2-aminopropanoate;hydrochloride,CC(C(=O)OC)N.Cl,"InChI=1S/C4H9NO2.ClH/c1-3(5)4(6)7-2;/h3H,5H2,1-2H3;1H",IYUKFAFDFHZKPI-UHFFFAOYSA-N,C4H10ClNO2,139.58,139.0400063,,52.3,72,0,2,3,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H,1H-PENTAFLUORO-N-PROPYL IODIDE",000354-69-8,67721,"1,1,1,2,2-pentafluoro-3-iodopropane",C(C(C(F)(F)F)(F)F)I,"InChI=1S/C3H2F5I/c4-2(5,1-9)3(6,7)8/h1H2",HENALDZJQYAUBN-UHFFFAOYSA-N,C3H2F5I,259.94,259.91214,3.1,0,94,0,0,5,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
A-KETOBUTYRIC ACID,000600-18-0,58,2-oxobutanoic acid,CCC(=O)C(=O)O,"InChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)",TYEYBOSBBBHJIV-UHFFFAOYSA-N,C4H6O3,102.09,102.031694,0.1,54.4,95,0,1,3,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-DIAMINOPROPANE-N,N,N',N'-TETRAACETIC ACID",004408-81-5,20442,2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid,CC(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O,"InChI=1S/C11H18N2O8/c1-7(13(5-10(18)19)6-11(20)21)2-12(3-8(14)15)4-9(16)17/h7H,2-6H2,1H3,(H,14,15)(H,16,17)(H,18,19)(H,20,21)",XNCSCQSQSGDGES-UHFFFAOYSA-N,C11H18N2O8,306.27,306.1063155,-5.4,156,379,0,4,10,11,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIBUTYL PHOSPHITE,000102-85-2,7623,tributyl phosphite,CCCCOP(OCCCC)OCCCC,"InChI=1S/C12H27O3P/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3/h4-12H2,1-3H3",XTTGYFREQJCEML-UHFFFAOYSA-N,C12H27O3P,250.31,250.1697817,3.8,27.7,110,0,0,3,12,16,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
TERBIUM(III) CHLORIDE,010042-88-3,61458,trichloroterbium,Cl[Tb](Cl)Cl,InChI=1S/3ClH.Tb/h3*1H;/q;;;+3/p-3,GFISHBQNVWAVFU-UHFFFAOYSA-K,Cl3Tb,265.28,263.83191,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
HEPTADECYLAMINE,004200-95-7,15791,heptadecan-1-amine,CCCCCCCCCCCCCCCCCN,"InChI=1S/C17H37N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h2-18H2,1H3",KAJZYANLDWUIES-UHFFFAOYSA-N,C17H37N,255.5,255.2926002,8,26,134,0,1,1,15,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ZINC L-LACTATE HYDRATE,312619-27-5,46835179,zinc;bis(2-hydroxypropanoate);hydrate,CC(C(=O)[O-])O.CC(C(=O)[O-])O.O.[Zn+2],"InChI=1S/2C3H6O3.H2O.Zn/c2*1-2(4)3(5)6;;/h2*2,4H,1H3,(H,5,6);1H2;/q;;;+2/p-2",OTBBEAJWTMEOFA-UHFFFAOYSA-L,C6H12O7Zn,261.5,259.987444,,122,53,0,3,7,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
IRON (II) ACETYLACETONATE,014024-17-0,11482195,bis((Z)-4-hydroxypent-3-en-2-one);iron,C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.[Fe],"InChI=1S/2C5H8O2.Fe/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/b2*4-3-;",LFKXWKGYHQXRQA-FDGPNNRMSA-N,C10H16FeO4,256.08,256.039795,,74.6,239,0,2,4,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NICKEL-ZINC FERRITE,012645-50-0,92028672,iron;nickel;zinc;tetrahydrate,O.O.O.O.[Fe].[Fe].[Ni].[Zn],InChI=1S/2Fe.Ni.4H2O.Zn/h;;;4*1H2;,ZRSQUVGYYDWRSE-UHFFFAOYSA-N,Fe2H8NiO4Zn,307.8,305.776613,,4,0,0,4,4,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"1-BROMO-3,7-DIMETHYLOCTANE",003383-83-3,137914,"1-bromo-3,7-dimethyloctane",CC(C)CCCC(C)CCBr,"InChI=1S/C10H21Br/c1-9(2)5-4-6-10(3)7-8-11/h9-10H,4-8H2,1-3H3",VGSUDZKDSKCYJP-UHFFFAOYSA-N,C10H21Br,221.18,220.08266,5.1,0,78,0,0,0,6,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,10-DECANEDITHIOL",001191-67-9,14494,"decane-1,10-dithiol",C(CCCCCS)CCCCS,"InChI=1S/C10H22S2/c11-9-7-5-3-1-2-4-6-8-10-12/h11-12H,1-10H2",UOQACRNTVQWTFF-UHFFFAOYSA-N,C10H22S2,206.4,206.1162931,4.4,2,64,0,2,2,9,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BROMOPENTADECANE,000629-72-1,12394,1-bromopentadecane,CCCCCCCCCCCCCCCBr,"InChI=1S/C15H31Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-15H2,1H3",JKOTZBXSNOGCIF-UHFFFAOYSA-N,C15H31Br,291.31,290.16091,8.7,0,112,0,0,0,13,16,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
EUROPIUM(III)TRIFLUOROMETHANESULFONATE,052093-25-1,9960317,europium(3+);tris(trifluoromethanesulfonate),C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Eu+3],"InChI=1S/3CHF3O3S.Eu/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3",TWNOVENTEPVGEJ-UHFFFAOYSA-K,C3EuF9O9S3,599.2,599.77731,,197,145,0,0,18,0,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
INDIUM(III) HYDROXIDE,020661-21-6,88636,indium(3+) trihydroxide,[OH-].[OH-].[OH-].[In+3],InChI=1S/In.3H2O/h;3*1H2/q+3;;;/p-3,IGUXCTSQIGAGSV-UHFFFAOYSA-K,H3InO3,165.84,165.9120977,,3,0,0,3,3,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N-DIMETHYL-METHYLENEAMMONIUM IODIDE",033797-51-2,2724133,dimethyl(methylidene)azanium iodide,C[N+](=C)C.[I-],"InChI=1S/C3H8N.HI/c1-4(2)3;/h1H2,2-3H3;1H/q+1;/p-1",VVDUZZGYBOWDSQ-UHFFFAOYSA-M,C3H8IN,185.01,184.97015,,3,26,0,0,1,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-(BUTYLAMINO)ETHANETHIOL,005842-00-2,1520,2-(butylamino)ethanethiol,CCCCNCCS,"InChI=1S/C6H15NS/c1-2-3-4-7-5-6-8/h7-8H,2-6H2,1H3",OUMFAUYLXGTBCX-UHFFFAOYSA-N,C6H15NS,133.26,133.0925207,1.3,13,39,0,2,2,5,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
MALEAMIC ACID,000557-24-4,5280451,(Z)-4-amino-4-oxobut-2-enoic acid,C(=C\C(=O)O)\C(=O)N,"InChI=1S/C4H5NO3/c5-3(6)1-2-4(7)8/h1-2H,(H2,5,6)(H,7,8)/b2-1-",FSQQTNAZHBEJLS-UPHRSURJSA-N,C4H5NO3,115.09,115.026943,-1,80.4,138,0,2,3,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(TRIDECAFLUORO-1,1,2,2-TETRAHYDROOCTYL)TRIMETHOXYSILANE",085857-16-5,2776334,"trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane",CO[Si](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(OC)OC,"InChI=1S/C11H13F13O3Si/c1-25-28(26-2,27-3)5-4-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h4-5H2,1-3H3",BVQYIDJXNYHKRK-UHFFFAOYSA-N,C11H13F13O3Si,468.28,468.0426369,,27.7,522,0,0,16,10,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRADODECYLAMMONIUM BROMIDE,014866-34-3,3014871,tetradodecylazanium bromide,CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC.[Br-],"InChI=1S/C48H100N.BrH/c1-5-9-13-17-21-25-29-33-37-41-45-49(46-42-38-34-30-26-22-18-14-10-6-2,47-43-39-35-31-27-23-19-15-11-7-3)48-44-40-36-32-28-24-20-16-12-8-4;/h5-48H2,1-4H3;1H/q+1;/p-1",SMEFTBPJZGVAPK-UHFFFAOYSA-M,C48H100BrN,771.2,769.70391,,0,468,0,0,1,44,50,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHOENOLPYRUVIC ACID, MONOPOTASSIUM SALT",004265-07-0,23678879,potassium 1-carboxyethenyl hydrogen phosphate,C=C(C(=O)O)OP(=O)(O)[O-].[K+],"InChI=1S/C3H5O6P.K/c1-2(3(4)5)9-10(6,7)8;/h1H2,(H,4,5)(H2,6,7,8);/q;+1/p-1",SOSDSEAIODNVPX-UHFFFAOYSA-M,C3H4KO6P,206.13,205.9382563,,107,212,0,2,6,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIETHYLHEXYLAMMONIUM BROMIDE,013028-71-2,10825627,triethyl(hexyl)azanium bromide,CCCCCC[N+](CC)(CC)CC.[Br-],"InChI=1S/C12H28N.BrH/c1-5-9-10-11-12-13(6-2,7-3)8-4;/h5-12H2,1-4H3;1H/q+1;/p-1",NAWZSHBMUXXTGV-UHFFFAOYSA-M,C12H28BrN,266.26,265.14051,,0,97,0,0,1,8,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"YTTERBIUM(III)  CHLORIDE, HEXAHYDRATE",010035-01-5,16211497,trichloroytterbium;hexahydrate,O.O.O.O.O.O.Cl[Yb](Cl)Cl,InChI=1S/3ClH.6H2O.Yb/h3*1H;6*1H2;/q;;;;;;;;;+3/p-3,LEYFXTUKPKKWMP-UHFFFAOYSA-K,Cl3H12O6Yb,387.5,386.908814,,6,8,0,6,6,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BUTYL TETRADECANOATE,000110-36-1,8047,butyl tetradecanoate,CCCCCCCCCCCCCC(=O)OCCCC,"InChI=1S/C18H36O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-18(19)20-17-6-4-2/h3-17H2,1-2H3",DHAZIUXMHRHVMP-UHFFFAOYSA-N,C18H36O2,284.5,284.2715304,7.6,26.3,202,0,0,2,16,20,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
HEXYLTRIMETHYLAMMONIUM BROMIDE,002650-53-5,10059492,hexyl(trimethyl)azanium bromide,CCCCCC[N+](C)(C)C.[Br-],"InChI=1S/C9H22N.BrH/c1-5-6-7-8-9-10(2,3)4;/h5-9H2,1-4H3;1H/q+1;/p-1",JYVPKRHOTGQJSE-UHFFFAOYSA-M,C9H22BrN,224.18,223.09356,,0,71,0,0,1,5,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1.3-DICHLORO-1,1,1,2,3-PENTRIFLUOROPROPANE",000507-55-1,62353,"1,3-dichloro-1,1,2,2,3-pentafluoropropane",C(C(C(F)(F)Cl)(F)F)(F)Cl,"InChI=1S/C3HCl2F5/c4-1(6)2(7,8)3(5,9)10/h1H",UJIGKESMIPTWJH-UHFFFAOYSA-N,C3HCl2F5,202.93,201.9375462,3.4,0,124,0,0,5,2,10,,56.1 °C,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3,3-DIMETHYLGLUTARIC ACID",004839-46-7,20984,"3,3-dimethylpentanedioic acid",CC(C)(CC(=O)O)CC(=O)O,"InChI=1S/C7H12O4/c1-7(2,3-5(8)9)4-6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11)",DUHQIGLHYXLKAE-UHFFFAOYSA-N,C7H12O4,160.17,160.0735589,0.4,74.6,153,0,2,4,4,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TRICHLOROACETIC ACID, METHYL ESTER",000598-99-2,11739,"methyl 2,2,2-trichloroacetate",COC(=O)C(Cl)(Cl)Cl,"InChI=1S/C3H3Cl3O2/c1-8-2(7)3(4,5)6/h1H3",VHFUHRXYRYWELT-UHFFFAOYSA-N,C3H3Cl3O2,177.41,175.919862,2,26.3,95,0,0,2,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-AMINO-3-HYDROXYBUTANOIC ACID,000924-49-2,2149,4-amino-3-hydroxybutanoic acid,C(C(CN)O)C(=O)O,"InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)",YQGDEPYYFWUPGO-UHFFFAOYSA-N,C4H9NO3,119.12,119.0582431,-4.1,83.6,83,0,3,4,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(E,E)-3,7,11,15-TETRAMETHYLHEXADECA-1,6,10,14-TETRAEN-3-OL",001113-21-9,5365872,"(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol",CC(=CCC/C(=C/CC/C(=C/CCC(C)(C=C)O)/C)/C)C,"InChI=1S/C20H34O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,11,13,15,21H,1,8-10,12,14,16H2,2-6H3/b18-13+,19-15+",IQDXAJNQKSIPGB-HQSZAHFGSA-N,C20H34O,290.5,290.2609657,6.4,20.2,394,0,1,1,10,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-(IODOMETHYL)HEPTANE,001653-16-3,102664,3-(iodomethyl)heptane,CCCCC(CC)CI,"InChI=1S/C8H17I/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3",WNPGSEJRPYSCDQ-UHFFFAOYSA-N,C8H17I,240.12,240.0375,5,0,52,0,0,0,5,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H,1H,2H,2H-PERFLUORODODECYL IODIDE",002043-54-1,74886,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-12-iodododecane",C(CI)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C12H4F21I/c13-3(14,1-2-34)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h1-2H2",HVWXRMINOYZYCK-UHFFFAOYSA-N,C12H4F21I,674.03,673.90224,8.8,0,731,0,0,21,10,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N-DIMETHYLACETOACETAMIDE",002044-64-6,16278,"N,N-dimethyl-3-oxobutanamide",CC(=O)CC(=O)N(C)C,"InChI=1S/C6H11NO2/c1-5(8)4-6(9)7(2)3/h4H2,1-3H3",YPEWWOUWRRQBAX-UHFFFAOYSA-N,C6H11NO2,129.16,129.0789786,-0.4,37.4,129,0,0,2,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-PROPENOIC ACID, 2-METHYL-, DECYL ESTER",003179-47-3,18510,decyl 2-methylprop-2-enoate,CCCCCCCCCCOC(=O)C(=C)C,"InChI=1S/C14H26O2/c1-4-5-6-7-8-9-10-11-12-16-14(15)13(2)3/h2,4-12H2,1,3H3",GTBGXKPAKVYEKJ-UHFFFAOYSA-N,C14H26O2,226.35,226.1932801,6.1,26.3,197,0,0,2,11,16,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"FORMIC ACID, RUBIDIUM SALT",003495-35-0,45052002,,C(=O)O.[Rb],"InChI=1S/CH2O2.Rb/c2-1-3;/h1H,(H,2,3);",LYSWMZYJZUHFIU-UHFFFAOYSA-N,CH2O2Rb,131.493,130.917269,,37.3,10,0,1,2,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,6-Hexanediamine, dihydrochloride",006055-52-3,2786615,"hexane-1,6-diamine;dihydrochloride",C(CCCN)CCN.Cl.Cl,InChI=1S/C6H16N2.2ClH/c7-5-3-1-2-4-6-8;;/h1-8H2;2*1H,XMVQMBLTFKAIOX-UHFFFAOYSA-N,C6H18Cl2N2,189.12,188.084704,,52,31,0,4,2,5,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
N-METHOXYMETHANAMINE HYDROCHLORIDE,006638-79-5,81138,N-methoxymethanamine;hydrochloride,CNOC.Cl,"InChI=1S/C2H7NO.ClH/c1-3-4-2;/h3H,1-2H3;1H",USZLCYNVCCDPLQ-UHFFFAOYSA-N,C2H8ClNO,97.54,97.0294416,,21.3,10,0,2,2,1,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BISMUTH GERMANIUM OXIDE,012233-56-6,138395196,tetrabismuth;tris(germanium(4+));dodecakis(oxygen(2-)),[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Ge+4].[Ge+4].[Ge+4].[Bi+3].[Bi+3].[Bi+3].[Bi+3],InChI=1S/4Bi.3Ge.12O/q4*+3;3*+4;12*-2,PXDMNCLNMKBWCZ-UHFFFAOYSA-N,Bi4Ge3O12,1245.8,1243.62807,,12,0,0,0,12,0,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POTASSIUM HEXACHLORORUTHENATE (IV),023013-82-3,90470414,dipotassium;hexachlororuthenium(2-),Cl[Ru-2](Cl)(Cl)(Cl)(Cl)Cl.[K+].[K+],InChI=1S/6ClH.2K.Ru/h6*1H;;;/q;;;;;;2*+1;+4/p-6,XOLNQIIEFUNTQC-UHFFFAOYSA-H,Cl6K2Ru,392,391.641919,,0,62,0,0,1,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LANTHANUM NITRIDE,025764-10-7,117627,azanylidynelanthanum,N#[La],InChI=1S/La.N,QCLQZCOGUCNIOC-UHFFFAOYSA-N,LaN,152.912,152.909437,,23.8,10,0,0,1,0,2,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DITRIMETHYLOLPROPANE TETRAACRYLATE,094108-97-1,175585,"[2-[2,2-bis(prop-2-enoyloxymethyl)butoxymethyl]-2-(prop-2-enoyloxymethyl)butyl] prop-2-enoate",CCC(COCC(CC)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,"InChI=1S/C24H34O9/c1-7-19(25)30-15-23(11-5,16-31-20(26)8-2)13-29-14-24(12-6,17-32-21(27)9-3)18-33-22(28)10-4/h7-10H,1-4,11-18H2,5-6H3",XRMBQHTWUBGQDN-UHFFFAOYSA-N,C24H34O9,466.5,466.2202827,4,114,615,0,0,9,22,33,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIS(dipivaloylmethanato)praseodymium,015492-48-5,167291,"praseodymium(3+);tris(2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)",CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].[Pr+3],"InChI=1S/3C11H20O2.Pr/c3*1-10(2,3)8(12)7-9(13)11(4,5)6;/h3*7,12H,1-6H3;/q;;;+3/p-3",HDONDLBRVFKILD-UHFFFAOYSA-K,C33H57O6Pr,690.7,690.32317,,120,199,0,0,6,9,40,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATE)COPPER(II)",014040-05-2,14534779,"copper bis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)",CC(/C(=C/C(=O)C(C)(C)C)/[O-])(C)C.CC(/C(=C/C(=O)C(C)(C)C)/[O-])(C)C.[Cu+2],"InChI=1S/2C11H20O2.Cu/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;/h2*7,12H,1-6H3;/q;;+2/p-2/b2*8-7-;",VCIKJQZFNVXWPF-ATMONBRVSA-L,C22H38CuO4,430.1,429.206607,,80.3,199,0,0,4,6,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,3-DIETHOXY-1-PROPANOL",016777-87-0,140135,"3,3-diethoxypropan-1-ol",CCOC(CCO)OCC,"InChI=1S/C7H16O3/c1-3-9-7(5-6-8)10-4-2/h7-8H,3-6H2,1-2H3",ASERXEZXVIJBRO-UHFFFAOYSA-N,C7H16O3,148.2,148.1099444,0.5,38.7,59,0,1,3,6,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM MERCAPTOPYRUVATE,010255-67-1,23673663,sodium 2-oxo-3-sulfanylpropanoate,C(C(=O)C(=O)[O-])S.[Na+],"InChI=1S/C3H4O3S.Na/c4-2(1-7)3(5)6;/h7H,1H2,(H,5,6);/q;+1/p-1",CODUSAVZTZYYDD-UHFFFAOYSA-M,C3H3NaO3S,142.11,141.9700594,,58.2,103,0,1,4,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DL-2-AMINO-3-PHOSPHONOPROPIONIC ACID,020263-06-3,3857,2-amino-3-phosphonopropanoic acid,C(C(C(=O)O)N)P(=O)(O)O,"InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)",LBTABPSJONFLPO-UHFFFAOYSA-N,C3H8NO5P,169.07,169.0140094,-5.2,121,174,0,4,6,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-BROMO-1,1,1-TRIFLUOROPROPANE",000460-32-2,2725114,"3-bromo-1,1,1-trifluoropropane",C(CBr)C(F)(F)F,"InChI=1S/C3H4BrF3/c4-2-1-3(5,6)7/h1-2H2",SAUGMJLWYLQPEM-UHFFFAOYSA-N,C3H4BrF3,176.96,175.94485,2.5,0,48,0,0,3,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N'-(DITHIODI-2,1-ETHANEDIYL)BIS(ACRYLAMIDE)",060984-57-8,100602,N-[2-[2-(prop-2-enoylamino)ethyldisulfanyl]ethyl]prop-2-enamide,C=CC(=O)NCCSSCCNC(=O)C=C,"InChI=1S/C10H16N2O2S2/c1-3-9(13)11-5-7-15-16-8-6-12-10(14)4-2/h3-4H,1-2,5-8H2,(H,11,13)(H,12,14)",DJVKJGIZQFBFGS-UHFFFAOYSA-N,C10H16N2O2S2,260.4,260.0653201,0.7,109,231,0,2,4,9,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHOROTHIOIC ACID, O,O-DIETHYL ESTER, POTASSIUM SALT",005871-17-0,23664334,potassium diethoxy-oxido-sulfanylidene-lambda5-phosphane,CCOP(=S)([O-])OCC.[K+],"InChI=1S/C4H11O3PS.K/c1-3-6-8(5,9)7-4-2;/h3-4H2,1-2H3,(H,5,9);/q;+1/p-1",OVJCAYMARFNMQB-UHFFFAOYSA-M,C4H10KO3PS,208.26,207.9725338,,73.6,111,0,0,4,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHYL 3,3-DIETHOXYPROPIONATE",010601-80-6,66389,"ethyl 3,3-diethoxypropanoate",CCOC(CC(=O)OCC)OCC,"InChI=1S/C9H18O4/c1-4-11-8(10)7-9(12-5-2)13-6-3/h9H,4-7H2,1-3H3",SIALOQYKFQEKOG-UHFFFAOYSA-N,C9H18O4,190.24,190.1205091,1,44.8,130,0,0,4,8,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-METHOXYETHANOL METHANESULFONATE,016427-44-4,146293,2-methoxyethyl methanesulfonate,COCCOS(=O)(=O)C,"InChI=1S/C4H10O4S/c1-7-3-4-8-9(2,5)6/h3-4H2,1-2H3",BCKAHDGFNHDQST-UHFFFAOYSA-N,C4H10O4S,154.19,154.02998,-0.5,61,142,0,0,4,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-DODECYLTRIMETHOXYSILANE,003069-21-4,76479,dodecyl(trimethoxy)silane,CCCCCCCCCCCC[Si](OC)(OC)OC,"InChI=1S/C15H34O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-19(16-2,17-3)18-4/h5-15H2,1-4H3",SCPWMSBAGXEGPW-UHFFFAOYSA-N,C15H34O3Si,290.51,290.2277215,,27.7,176,0,0,3,14,19,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
(5-BROMOPENTYL)TRIMETHYLAMMONIUM BROMIDE,015008-33-0,11098210,5-bromopentyl(trimethyl)azanium bromide,C[N+](C)(C)CCCCCBr.[Br-],"InChI=1S/C8H19BrN.BrH/c1-10(2,3)8-6-4-5-7-9;/h4-8H2,1-3H3;1H/q+1;/p-1",GEIHNRASRNQTDE-UHFFFAOYSA-M,C8H19Br2N,289.05,288.98638,,0,75,0,0,1,5,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DIETHYL 2,2'-THIODIACETATE",000925-47-3,70216,ethyl 2-(2-ethoxy-2-oxoethyl)sulfanylacetate,CCOC(=O)CSCC(=O)OCC,"InChI=1S/C8H14O4S/c1-3-11-7(9)5-13-6-8(10)12-4-2/h3-6H2,1-2H3",TVCSSJHLVLMADJ-UHFFFAOYSA-N,C8H14O4S,206.26,206.0612801,1.5,77.9,152,0,0,5,8,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-DODECYL-D25 ALCOHOL,160776-83-0,12215324,"1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosadeuteriododecan-1-ol",[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])O,"InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2",LQZZUXJYWNFBMV-VVZIYBSUSA-N,C12H26O,211.49,211.3552841,5.1,20.2,81,0,1,1,10,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DL-2-AMINOPENT-4-ENOIC ACID,007685-44-1,14044,2-aminopent-4-enoic acid,C=CCC(C(=O)O)N,"InChI=1S/C5H9NO2/c1-2-3-4(6)5(7)8/h2,4H,1,3,6H2,(H,7,8)",WNNNWFKQCKFSDK-UHFFFAOYSA-N,C5H9NO2,115.13,115.0633285,-2.3,63.3,101,0,2,3,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
2-HYDROXY-3-METHYLPENTANOIC ACID,086540-81-0,10796774,"(2R,3R)-2-hydroxy-3-methylpentanoic acid",CC[C@@H](C)[C@H](C(=O)O)O,"InChI=1S/C6H12O3/c1-3-4(2)5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t4-,5-/m1/s1",RILPIWOPNGRASR-RFZPGFLSSA-N,C6H12O3,132.16,132.0786442,0.9,57.5,100,0,2,3,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TRIS(2,2,6,,-TETRAMETHYL-3,5-HEPTANEDIONATO)SAMARIUM(III)",015492-50-9,102601687,"tris((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);samarium",CC(/C(=C/C(=O)C(C)(C)C)/O)(C)C.CC(/C(=C/C(=O)C(C)(C)C)/O)(C)C.CC(/C(=C/C(=O)C(C)(C)C)/O)(C)C.[Sm],"InChI=1S/3C11H20O2.Sm/c3*1-10(2,3)8(12)7-9(13)11(4,5)6;/h3*7,12H,1-6H3;/b3*8-7-;",NDCAZNNQOPBNMH-LWTKGLMZSA-N,C33H60O6Sm,703.2,704.35873,,112,801,0,3,6,9,40,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHYL 2-(BROMOMETHYL)ACRYLATE,017435-72-2,310620,ethyl 2-(bromomethyl)prop-2-enoate,CCOC(=O)C(=C)CBr,"InChI=1S/C6H9BrO2/c1-3-9-6(8)5(2)4-7/h2-4H2,1H3",MTCMFVTVXAOHNQ-UHFFFAOYSA-N,C6H9BrO2,193.04,191.97859,1.6,26.3,120,0,0,2,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-AMINO-1-HEXANETHIOL HYDROCHLORIDE,031098-40-5,22274759,6-aminohexane-1-thiol;hydrochloride,C(CCCS)CCN.Cl,"InChI=1S/C6H15NS.ClH/c7-5-3-1-2-4-6-8;/h8H,1-7H2;1H",BFCMUBZJTPADOD-UHFFFAOYSA-N,C6H16ClNS,169.72,169.0691984,,27,39,0,3,2,5,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL (3-(TRIMETHYLOXYSILYL)PROPYL) ETHER,033580-59-5,36553,trimethoxy(3-methoxypropyl)silane,COCCC[Si](OC)(OC)OC,"InChI=1S/C7H18O4Si/c1-8-6-5-7-12(9-2,10-3)11-4/h5-7H2,1-4H3",JPMBLOQPQSYOMC-UHFFFAOYSA-N,C7H18O4Si,194.3,194.0974356,,36.9,97,0,0,4,7,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ALLYL 2-BROMO-2-METHYLPROPIONATE,040630-82-8,4524555,prop-2-enyl 2-bromo-2-methylpropanoate,CC(C)(C(=O)OCC=C)Br,"InChI=1S/C7H11BrO2/c1-4-5-10-6(9)7(2,3)8/h4H,1,5H2,2-3H3",WIPLNCYPGHUSGF-UHFFFAOYSA-N,C7H11BrO2,207.06,205.99424,2.1,26.3,141,0,0,2,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2'-(2-BUTYNYLENEDIOXY)DIETHANOL",001606-85-5,62411,2-[4-(2-hydroxyethoxy)but-2-ynoxy]ethanol,C(COCC#CCOCCO)O,"InChI=1S/C8H14O4/c9-3-7-11-5-1-2-6-12-8-4-10/h9-10H,3-8H2",IXAWTPMDMPUGLV-UHFFFAOYSA-N,C8H14O4,174.19,174.0892089,-1.4,58.9,130,0,2,4,6,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
YTTERBIUM(II) IODIDE,019357-86-9,4227090,diiodoytterbium,I[Yb]I,InChI=1S/2HI.Yb/h2*1H;/q;;+2/p-2,SJLISRWUWZVXNZ-UHFFFAOYSA-L,I2Yb,426.85,427.74781,,0,2,0,0,0,0,3,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BOC-GLU(OME)-OME,059279-60-6,2734644,dimethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate,CC(C)(C)OC(=O)N[C@@H](CCC(=O)OC)C(=O)OC,"InChI=1S/C12H21NO6/c1-12(2,3)19-11(16)13-8(10(15)18-5)6-7-9(14)17-4/h8H,6-7H2,1-5H3,(H,13,16)/t8-/m0/s1",QNSPKWUAZQIIGZ-QMMMGPOBSA-N,C12H21NO6,275.3,275.1368874,1.1,90.9,334,0,1,6,9,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TERBIUM (III) SULFATE,013842-67-6,16211493,bis(terbium(3+));trisulfate;octahydrate,O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Tb+3].[Tb+3],"InChI=1S/3H2O4S.8H2O.2Tb/c3*1-5(2,3)4;;;;;;;;;;/h3*(H2,1,2,3,4);8*1H2;;/q;;;;;;;;;;;2*+3/p-6",SRSFZSUHOIHUFR-UHFFFAOYSA-H,H16O20S3Tb2,750.2,749.79041,,274,62,0,8,20,0,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
10-BROMO-1-DECENE,062871-09-4,543384,10-bromodec-1-ene,C=CCCCCCCCCBr,"InChI=1S/C10H19Br/c1-2-3-4-5-6-7-8-9-10-11/h2H,1,3-10H2",JVVPJOMYWVYPOF-UHFFFAOYSA-N,C10H19Br,219.16,218.06701,5.5,0,78,0,0,0,8,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2'-OXYDIETHANETHIOL",002150-02-9,75073,2-(2-sulfanylethoxy)ethanethiol,C(CS)OCCS,"InChI=1S/C4H10OS2/c6-3-1-5-2-4-7/h6-7H,1-4H2",CNDCQWGRLNGNNO-UHFFFAOYSA-N,C4H10OS2,138.3,138.0173073,0.7,11.2,28,0,2,3,4,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SAMARIUM(III) TRIFLUOROMETHANESULFONATE,052093-28-4,10145316,samarium(3+);tris(trifluoromethanesulfonate),C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Sm+3],"InChI=1S/3CHF3O3S.Sm/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3",DDCWGUIPLGMBPO-UHFFFAOYSA-K,C3F9O9S3Sm,597.6,598.77581,,197,145,0,0,18,0,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-((DIMETHYLAMINO)FLUOROMETHYLENE)-N-METHYLMETHANAMINIUM HEXAFLUOROPHOSPHATE(1-),164298-23-1,2774761,[dimethylamino(fluoro)methylidene]-dimethylazanium hexafluorophosphate,CN(C)C(=[N+](C)C)F.F[P-](F)(F)(F)(F)F,"InChI=1S/C5H12FN2.F6P/c1-7(2)5(6)8(3)4;1-7(2,3,4,5)6/h1-4H3;/q+1;-1",ZAVXOOLKAGPJPI-UHFFFAOYSA-N,C5H12F7N2P,264.12,264.0626325,,6.3,153,0,0,8,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
D-TERT-LEUCINE,026782-71-8,6950340,"(2R)-2-amino-3,3-dimethylbutanoic acid",CC(C)(C)[C@H](C(=O)O)N,"InChI=1S/C6H13NO2/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t4-/m0/s1",NPDBDJFLKKQMCM-BYPYZUCNSA-N,C6H13NO2,131.17,131.0946287,-1.8,63.3,115,0,2,3,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
L-TERT-LEUCINE METHYL ESTER HYDROCHLORIDE,063038-27-7,16217630,"methyl (2S)-2-amino-3,3-dimethylbutanoate;hydrochloride",CC(C)(C)[C@@H](C(=O)OC)N.Cl,"InChI=1S/C7H15NO2.ClH/c1-7(2,3)5(8)6(9)10-4;/h5H,8H2,1-4H3;1H/t5-;/m1./s1",HRTQWUHFSXVRPY-NUBCRITNSA-N,C7H16ClNO2,181.66,181.0869564,,52.3,126,0,2,3,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-ACETYL-L-ISOLEUCINE,003077-46-1,7036275,"(2S,3S)-2-acetamido-3-methylpentanoic acid",CC[C@H](C)[C@@H](C(=O)O)NC(=O)C,"InChI=1S/C8H15NO3/c1-4-5(2)7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t5-,7-/m0/s1",JDTWZSUNGHMMJM-FSPLSTOPSA-N,C8H15NO3,173.21,173.1051933,0.6,66.4,179,0,2,3,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
L-BETA-HOMOLYSINE DIHYDROCHLORIDE,290835-83-5,16211062,"(3S)-3,7-diaminoheptanoic acid;dihydrochloride",C(CCN)C[C@@H](CC(=O)O)N.Cl.Cl,"InChI=1S/C7H16N2O2.2ClH/c8-4-2-1-3-6(9)5-7(10)11;;/h6H,1-5,8-9H2,(H,10,11);2*1H/t6-;;/m0../s1",APJAFTBCSGCCAH-ILKKLZGPSA-N,C7H18Cl2N2O2,233.13,232.0745332,,89.3,117,0,5,4,6,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GLUTARAMIC ACID,025335-74-4,168356,5-amino-5-oxopentanoic acid,C(CC(=O)N)CC(=O)O,"InChI=1S/C5H9NO3/c6-4(7)2-1-3-5(8)9/h1-3H2,(H2,6,7)(H,8,9)",GTFMAONWNTUZEW-UHFFFAOYSA-N,C5H9NO3,131.13,131.0582431,-0.9,80.4,121,0,2,3,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H,1H-PERFLUORO-3,6-DIOXADECAN-1-OL",152914-73-3,2778631,"2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethanol",C(C(OC(C(OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,"InChI=1S/C8H3F15O3/c9-2(10,1-24)25-7(20,21)8(22,23)26-6(18,19)4(13,14)3(11,12)5(15,16)17/h24H,1H2",ZPLAXWXACBJHSW-UHFFFAOYSA-N,C8H3F15O3,432.08,431.9842664,4.8,38.7,496,0,1,18,8,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL SUCCINAMATE,053171-39-4,12550576,methyl 4-amino-4-oxobutanoate,COC(=O)CCC(=O)N,"InChI=1S/C5H9NO3/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3,(H2,6,7)",HURZMSZDVGMYKJ-UHFFFAOYSA-N,C5H9NO3,131.13,131.0582431,-0.6,69.4,121,0,1,3,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM PENTANE-1-SULFONATE HYDRATE,207605-40-1,23693099,sodium;pentane-1-sulfonate;hydrate,CCCCCS(=O)(=O)[O-].O.[Na+],"InChI=1S/C5H12O3S.Na.H2O/c1-2-3-4-5-9(6,7)8;;/h2-5H2,1H3,(H,6,7,8);;1H2/q;+1;/p-1",FPQYXAFKHLSWTI-UHFFFAOYSA-M,C5H13NaO4S,192.21,192.0432244,,66.6,147,0,1,4,4,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-(((BUTYLTHIO)CARBONOTHIOYL)THIO)PROPANOIC ACID,480436-46-2,59347154,2-butylsulfanylcarbothioylsulfanylpropanoic acid,CCCCSC(=S)SC(C)C(=O)O,"InChI=1S/C8H14O2S3/c1-3-4-5-12-8(11)13-6(2)7(9)10/h6H,3-5H2,1-2H3,(H,9,10)",VQUDUXBWOHBISV-UHFFFAOYSA-N,C8H14O2S3,238.4,238.0155932,3.4,120,182,0,1,5,7,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANAMINIUM, 2-HYDROXY-N,N,N-TRIMETHYL-, CARBONATE (1:1) (SALT)",000078-73-9,6552,hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium,C[N+](C)(C)CCO.C(=O)(O)[O-],"InChI=1S/C5H14NO.CH2O3/c1-6(2,3)4-5-7;2-1(3)4/h7H,4-5H2,1-3H3;(H2,2,3,4)/q+1;/p-1",DQKGOGJIOHUEGK-UHFFFAOYSA-M,C6H15NO4,165.19,165.100108,,80.6,71,0,2,4,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-HYDRAZINEDICARBOXAMIDE",000110-21-4,8039,(carbamoylamino)urea,C(=O)(N)NNC(=O)N,"InChI=1S/C2H6N4O2/c3-1(7)5-6-2(4)8/h(H3,3,5,7)(H3,4,6,8)",ULUZGMIUTMRARO-UHFFFAOYSA-N,C2H6N4O2,118.1,118.0490755,-2.1,110,96,0,4,2,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"FORMIC ACID, OCTYL ESTER",000112-32-3,8176,octyl formate,CCCCCCCCOC=O,"InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-11-9-10/h9H,2-8H2,1H3",AVBRYQRTMPHARE-UHFFFAOYSA-N,C9H18O2,158.24,158.1306798,3.5,26.3,81,0,0,2,8,11,,87.00 to 89.00 °C. @ 20.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HEXANEDIOIC ACID, DIOCTYL ESTER",000123-79-5,31271,dioctyl hexanedioate,CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC,"InChI=1S/C22H42O4/c1-3-5-7-9-11-15-19-25-21(23)17-13-14-18-22(24)26-20-16-12-10-8-6-4-2/h3-20H2,1-2H3",NEHDRDVHPTWWFG-UHFFFAOYSA-N,C22H42O4,370.6,370.3083098,7.4,52.6,296,0,0,4,21,26,,Normal Boiling Point: 404.84 °C (687 K),0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
9-UNDECENAL,000143-14-6,6431148,(E)-undec-9-enal,C/C=C/CCCCCCCC=O,"InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h2-3,11H,4-10H2,1H3/b3-2+",ZFMUIJVOIVHGCF-NSCUHMNNSA-N,C11H20O,168.28,168.1514153,3.5,17.1,116,0,0,1,8,12,,239.00 to 240.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"DODECANE, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-PENTACOSAFLU",000307-60-8,67546,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluoro-12-iodododecane",C(C(C(C(C(C(C(F)(F)I)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C12F25I/c13-1(14,3(17,18)5(21,22)7(25,26)9(29,30)11(33,34)35)2(15,16)4(19,20)6(23,24)8(27,28)10(31,32)12(36,37)38",WBYCUETVRCXUPE-UHFFFAOYSA-N,C12F25I,745.99,745.86455,9.5,0,875,0,0,25,10,38,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"10-UNDECENOIC ACID, ZINC SALT",000557-08-4,11179,zinc bis(undec-10-enoate),C=CCCCCCCCCC(=O)[O-].C=CCCCCCCCCC(=O)[O-].[Zn+2],"InChI=1S/2C11H20O2.Zn/c2*1-2-3-4-5-6-7-8-9-10-11(12)13;/h2*2H,1,3-10H2,(H,12,13);/q;;+2/p-2",YMCOHQVWOBMDCZ-UHFFFAOYSA-L,C22H38O4Zn,431.9,430.206151,,80.3,136,0,0,4,16,27,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-BUTENEDIOIC ACID, 2,3-DIBROMO-, (Z)-",000608-37-7,2723896,"(Z)-2,3-dibromobut-2-enedioic acid",C(=C(\C(=O)O)/Br)(\C(=O)O)/Br,"InChI=1S/C4H2Br2O4/c5-1(3(7)8)2(6)4(9)10/h(H,7,8)(H,9,10)/b2-1-",PMNMPRXRQYSFRP-UPHRSURJSA-N,C4H2Br2O4,273.86,273.82993,1.4,74.6,185,0,2,4,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANEDIOIC ACID, OXO-, DIETHYL ESTER",000609-09-6,69105,diethyl 2-oxopropanedioate,CCOC(=O)C(=O)C(=O)OCC,"InChI=1S/C7H10O5/c1-3-11-6(9)5(8)7(10)12-4-2/h3-4H2,1-2H3",DBKKFIIYQGGHJO-UHFFFAOYSA-N,C7H10O5,174.15,174.0528234,0.4,69.7,176,0,0,5,6,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-PROPANOL, 3-(DIETHYLAMINO)-",000622-93-5,12159,3-(diethylamino)propan-1-ol,CCN(CC)CCCO,"InChI=1S/C7H17NO/c1-3-8(4-2)6-5-7-9/h9H,3-7H2,1-2H3",WKCYFSZDBICRKL-UHFFFAOYSA-N,C7H17NO,131.22,131.1310142,0.7,23.5,52,0,1,2,5,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"FORMAMIDE, N-ETHYL-",000627-45-2,12319,N-ethylformamide,CCNC=O,"InChI=1S/C3H7NO/c1-2-4-3-5/h3H,2H2,1H3,(H,4,5)",KERBAAIBDHEFDD-UHFFFAOYSA-N,C3H7NO,73.09,73.05276385,-0.1,29.1,28,0,1,1,1,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"OCTANAMIDE, N,N-DIETHYL-",000996-97-4,70456,"N,N-diethyloctanamide",CCCCCCCC(=O)N(CC)CC,"InChI=1S/C12H25NO/c1-4-7-8-9-10-11-12(14)13(5-2)6-3/h4-11H2,1-3H3",FHJRFIYKPIXQNQ-UHFFFAOYSA-N,C12H25NO,199.33,199.1936144,3.5,20.3,141,0,0,1,8,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"ETHANIMIDIC ACID, ETHYL ESTER",001000-84-6,65066,ethyl ethanimidate,CCOC(=N)C,"InChI=1S/C4H9NO/c1-3-6-4(2)5/h5H,3H2,1-2H3",JMIAPORGEDIDLT-UHFFFAOYSA-N,C4H9NO,87.12,87.06841391,0.6,33.1,51,0,1,2,2,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"6-OCTEN-1-OL, 3,7-DIMETHYL-, (R)-",001117-61-9,101977,"(3R)-3,7-dimethyloct-6-en-1-ol",C[C@H](CCC=C(C)C)CCO,"InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m1/s1",QMVPMAAFGQKVCJ-SNVBAGLBSA-N,C10H20O,156.26,156.1514153,3.2,20.2,112,0,1,1,5,11,,221.00 to 224.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"METHANAMINE, N-METHOXY-",001117-97-1,14232,N-methoxymethanamine,CNOC,"InChI=1S/C2H7NO/c1-3-4-2/h3H,1-2H3",KRKPYFLIYNGWTE-UHFFFAOYSA-N,C2H7NO,61.08,61.05276385,-0.2,21.3,10,0,1,2,1,4,,42.4 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CARBAMODITHIOIC ACID, DIETHYL-, COMPD. WITH N-ETHYLETHANAMINE (1:1)",001518-58-7,15201,diethylcarbamodithioic acid;N-ethylethanamine,CCNCC.CCN(CC)C(=S)S,"InChI=1S/C5H11NS2.C4H11N/c1-3-6(4-2)5(7)8;1-3-5-4-2/h3-4H2,1-2H3,(H,7,8);5H,3-4H2,1-2H3",NBGTWXBPCIHUQD-UHFFFAOYSA-N,C9H22N2S2,222.4,222.1224411,,48.4,89,0,2,3,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 1,2-ETHANEDIYLBIS(OXY-2,1-ETHANEDIYL) ESTER",001680-21-3,62414,2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl prop-2-enoate,C=CC(=O)OCCOCCOCCOC(=O)C=C,"InChI=1S/C12H18O6/c1-3-11(13)17-9-7-15-5-6-16-8-10-18-12(14)4-2/h3-4H,1-2,5-10H2",INQDDHNZXOAFFD-UHFFFAOYSA-N,C12H18O6,258.27,258.1103383,0.9,71.1,246,0,0,6,13,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"PHOSPHONIC ACID, DIOCTYL ESTER",001809-14-9,6328721,dioctoxy(oxo)phosphanium,CCCCCCCCO[P+](=O)OCCCCCCCC,"InChI=1S/C16H34O3P/c1-3-5-7-9-11-13-15-18-20(17)19-16-14-12-10-8-6-4-2/h3-16H2,1-2H3/q+1",PLSFNSJUKGEOSL-UHFFFAOYSA-N,C16H34O3P+,305.41,305.2245569,6.8,35.5,190,1,0,3,16,20,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANAMINIUM, N,N,N-TRIMETHYL-2-[(1-OXOBUTYL)THIO]-, IODIDE",001866-16-6,74630,2-butanoylsulfanylethyl(trimethyl)azanium iodide,CCCC(=O)SCC[N+](C)(C)C.[I-],"InChI=1S/C9H20NOS.HI/c1-5-6-9(11)12-8-7-10(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1",WEQAAFZDJROSBF-UHFFFAOYSA-M,C9H20INOS,317.23,317.03103,,42.4,140,0,0,3,6,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"OCTANOIC ACID, 3-METHYLBUTYL ESTER",002035-99-6,16255,3-methylbutyl octanoate,CCCCCCCC(=O)OCCC(C)C,"InChI=1S/C13H26O2/c1-4-5-6-7-8-9-13(14)15-11-10-12(2)3/h12H,4-11H2,1-3H3",XKWSWANXMRXDES-UHFFFAOYSA-N,C13H26O2,214.34,214.1932801,4.8,26.3,153,0,0,2,10,15,,267.00 to 268.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, DODECYL ESTER",002156-97-0,75084,dodecyl prop-2-enoate,CCCCCCCCCCCCOC(=O)C=C,"InChI=1S/C15H28O2/c1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2/h4H,2-3,5-14H2,1H3",PBOSTUDLECTMNL-UHFFFAOYSA-N,C15H28O2,240.38,240.2089301,6.2,26.3,187,0,0,2,13,17,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"ETHANIMIDIC ACID, ETHYL ESTER, HYDROCHLORIDE",002208-07-3,2724290,ethyl ethanimidate;hydrochloride,CCOC(=N)C.Cl,"InChI=1S/C4H9NO.ClH/c1-3-6-4(2)5;/h5H,3H2,1-2H3;1H",WGMHMVLZFAJNOT-UHFFFAOYSA-N,C4H10ClNO,123.58,123.0450916,,33.1,51,0,2,2,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANEDIOIC ACID, METHYLENE-, DI-2-PROPENYL ESTER",002767-99-9,76003,bis(prop-2-enyl) 2-methylidenebutanedioate,C=CCOC(=O)CC(=C)C(=O)OCC=C,"InChI=1S/C11H14O4/c1-4-6-14-10(12)8-9(3)11(13)15-7-5-2/h4-5H,1-3,6-8H2",LOFFYVIZWSPGIT-UHFFFAOYSA-N,C11H14O4,210.23,210.0892089,1.8,52.6,278,0,0,4,9,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETIC ACID, (AMINOOXY)-, HYDROCHLORIDE (2:1)",002921-14-4,2723609,bis(2-aminooxyacetic acid);hydrochloride,C(C(=O)O)ON.C(C(=O)O)ON.Cl,"InChI=1S/2C2H5NO3.ClH/c2*3-6-1-2(4)5;/h2*1,3H2,(H,4,5);1H",KBXIJIPYZKPDRU-UHFFFAOYSA-N,C4H11ClN2O6,218.59,218.0305638,,145,52,0,5,8,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANEDIOIC ACID, HYDROXY-, SODIUM SALT",003105-51-9,197014,sodium 2-hydroxybutanedioate,C(C(C(=O)[O-])O)C(=O)[O-].[Na+],"InChI=1S/C4H6O5.Na/c5-2(4(8)9)1-3(6)7;/h2,5H,1H2,(H,6,7)(H,8,9);/q;+1/p-2",DOJOZCIMYABYPO-UHFFFAOYSA-L,C4H4NaO5-,155.06,154.9956425,,100,118,-1,1,5,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 2-METHYL-, 2-(HYDROXYMETHYL)-2-[[(2-METHYL-1-OXO-2-PROPENYL)",003524-66-1,77057,[2-(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate,CC(=C)C(=O)OCC(CO)(COC(=O)C(=C)C)COC(=O)C(=C)C,"InChI=1S/C17H24O7/c1-11(2)14(19)22-8-17(7-18,9-23-15(20)12(3)4)10-24-16(21)13(5)6/h18H,1,3,5,7-10H2,2,4,6H3",JUDXBRVLWDGRBC-UHFFFAOYSA-N,C17H24O7,340.4,340.1522031,2.2,99.1,471,0,1,7,13,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"GLYCINE, N-(CARBOXYMETHYL)-N-(1-OXODODECYL)-",003775-51-7,77405,2-[carboxymethyl(dodecanoyl)amino]acetic acid,CCCCCCCCCCCC(=O)N(CC(=O)O)CC(=O)O,"InChI=1S/C16H29NO5/c1-2-3-4-5-6-7-8-9-10-11-14(18)17(12-15(19)20)13-16(21)22/h2-13H2,1H3,(H,19,20)(H,21,22)",PCNAKWUTWPAVMZ-UHFFFAOYSA-N,C16H29NO5,315.4,315.204573,4.1,94.9,327,0,2,5,14,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-DECENAL,003913-71-1,5283345,(E)-dec-2-enal,CCCCCCC/C=C/C=O,"InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h8-10H,2-7H2,1H3/b9-8+",MMFCJPPRCYDLLZ-CMDGGOBGSA-N,C10H18O,154.25,154.1357652,3.7,17.1,105,0,0,1,7,11,,78.00 to 80.00 °C. @ 3.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ETHANAMINE, 2-CHLORO-N-METHYL-, HYDROCHLORIDE",004535-90-4,3028223,2-chloro-N-methylethanamine;hydrochloride,CNCCCl.Cl,"InChI=1S/C3H8ClN.ClH/c1-5-3-2-4;/h5H,2-3H2,1H3;1H",FGSHJLJPYBUBHO-UHFFFAOYSA-N,C3H9Cl2N,130.01,129.0112047,,12,16,0,2,1,2,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHONIC ACID, DODECYL-, DIETHYL ESTER",004844-38-6,78558,1-diethoxyphosphoryldodecane,CCCCCCCCCCCCP(=O)(OCC)OCC,"InChI=1S/C16H35O3P/c1-4-7-8-9-10-11-12-13-14-15-16-20(17,18-5-2)19-6-3/h4-16H2,1-3H3",LRIWHHSVZCKNJL-UHFFFAOYSA-N,C16H35O3P,306.42,306.232382,5.8,35.5,234,0,0,3,15,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BUTOXY-2-PROPANOL,005131-66-8,21210,1-butoxypropan-2-ol,CCCCOCC(C)O,"InChI=1S/C7H16O2/c1-3-4-5-9-6-7(2)8/h7-8H,3-6H2,1-2H3",RWNUSVWFHDHRCJ-UHFFFAOYSA-N,C7H16O2,132.2,132.1150297,1.1,29.5,54,0,1,2,5,9,63  °C c.c.,171 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ETHANAMINIUM, N,N,N-TRIETHYL-2-HYDROXY-, IODIDE",005957-17-5,80057,triethyl(2-hydroxyethyl)azanium iodide,CC[N+](CC)(CC)CCO.[I-],"InChI=1S/C8H20NO.HI/c1-4-9(5-2,6-3)7-8-10;/h10H,4-8H2,1-3H3;1H/q+1;/p-1",XQDHXDORJFXNDX-UHFFFAOYSA-M,C8H20INO,273.16,273.05896,,20.2,71,0,1,2,5,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9-OCTADECENOIC ACID, ANHYDRIDE",006085-36-5,6183559,[(E)-octadec-9-enoyl] (E)-octadec-9-enoate,CCCCCCCC/C=C/CCCCCCCC(=O)OC(=O)CCCCCCC/C=C/CCCCCCCC,"InChI=1S/C36H66O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)39-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-34H2,1-2H3/b19-17+,20-18+",OCNZHGHKKQOQCZ-XPWSMXQVSA-N,C36H66O3,546.9,546.501196,14.9,43.4,528,0,0,3,32,39,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ACETIC ACID, PRASEODYMIUM(3+) SALT",006192-12-7,165418,praseodymium(3+) triacetate,CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Pr+3],"InChI=1S/3C2H4O2.Pr/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",KPXRPRLCONABEG-UHFFFAOYSA-K,C6H9O6Pr,318.04,317.94757,,120,25,0,0,6,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANOIC ACID, LITHIUM SALT",006531-45-9,23689528,lithium propanoate,[Li+].CCC(=O)[O-],"InChI=1S/C3H6O2.Li/c1-2-3(4)5;/h2H2,1H3,(H,4,5);/q;+1/p-1",AXMOZGKEVIBBCF-UHFFFAOYSA-M,C3H5LiO2,80,80.04495783,,40.1,44,0,0,2,1,6,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"ETHANAMINIUM, N,N,N-TRIMETHYL-2-[(2-METHYL-1-OXO-2-PROPENYL)OXY]-, METHYL SULF",006891-44-7,81318,methyl sulfate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium,CC(=C)C(=O)OCC[N+](C)(C)C.COS(=O)(=O)[O-],"InChI=1S/C9H18NO2.CH4O4S/c1-8(2)9(11)12-7-6-10(3,4)5;1-5-6(2,3)4/h1,6-7H2,2-5H3;1H3,(H,2,3,4)/q+1;/p-1",IHBKAGRPNRKYAO-UHFFFAOYSA-M,C10H21NO6S,283.34,283.1089586,,101,270,0,0,6,5,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
IRIDIUM IODIDE (IRI4),007790-45-6,25113453,tetraiodoiridium,I[Ir](I)(I)I,InChI=1S/4HI.Ir/h4*1H;/q;;;;+4/p-4,BUUWLOZTIYBNKB-UHFFFAOYSA-J,I4Ir,699.83,700.5808,,0,19,0,0,0,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HEXANOIC ACID, SODIUM SALT",010051-44-2,4087444,sodium hexanoate,CCCCCC(=O)[O-].[Na+],"InChI=1S/C6H12O2.Na/c1-2-3-4-5-6(7)8;/h2-5H2,1H3,(H,7,8);/q;+1/p-1",UDWXLZLRRVQONG-UHFFFAOYSA-M,C6H11NaO2,138.14,138.0656739,,40.1,73,0,0,2,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANEDIOIC ACID, ACETYL-, DIMETHYL ESTER",010420-33-4,112039,dimethyl 2-acetylbutanedioate,CC(=O)C(CC(=O)OC)C(=O)OC,"InChI=1S/C8H12O5/c1-5(9)6(8(11)13-3)4-7(10)12-2/h6H,4H2,1-3H3",XREKLQOUFWBSFH-UHFFFAOYSA-N,C8H12O5,188.18,188.0684735,-0.2,69.7,221,0,0,5,6,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-PROPANAMINIUM, N,N,N-TRIPROPYL-, HEXAFLUOROPHOSPHATE(1-)",012110-21-3,82922,tetrapropylazanium hexafluorophosphate,CCC[N+](CCC)(CCC)CCC.F[P-](F)(F)(F)(F)F,"InChI=1S/C12H28N.F6P/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-7(2,3,4,5)6/h5-12H2,1-4H3;/q+1;-1",GSYVZOSIIKEIBZ-UHFFFAOYSA-N,C12H28F6NP,331.32,331.1863559,,0,143,0,0,7,8,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-OCTADECANAMINIUM, N,N-DIMETHYL-N-(3-SULFOPROPYL)-, INNER SALT",013177-41-8,83205,3-[dimethyl(octadecyl)azaniumyl]propane-1-sulfonate,CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-],"InChI=1S/C23H49NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(2,3)22-20-23-28(25,26)27/h4-23H2,1-3H3",DIROHOMJLWMERM-UHFFFAOYSA-N,C23H49NO3S,419.7,419.3433156,8.3,65.6,416,0,0,3,20,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"METAPHOSPHORIC ACID (HPO3), ALUMINUM SALT",013776-88-0,16131219,,[O-]P(=O)=O.[O-]P(=O)=O.[O-]P(=O)=O.[Al+3],"InChI=1S/Al.3HO3P/c;3*1-4(2)3/h;3*(H,1,2,3)/q+3;;;/p-3",DHAHRLDIUIPTCJ-UHFFFAOYSA-K,AlO9P3,263.9,263.857056,,172,36,0,0,9,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DIPHOSPHORIC ACID, STRONTIUM SALT (1:2)",013812-81-2,166911,distrontium;phosphonato phosphate,[O-]P(=O)([O-])OP(=O)([O-])[O-].[Sr+2].[Sr+2],"InChI=1S/H4O7P2.2Sr/c1-8(2,3)7-9(4,5)6;;/h(H2,1,2,3)(H2,4,5,6);;/q;2*+2/p-4",QGKBPWOLFJRLKE-UHFFFAOYSA-J,O7P2Sr2,349.2,349.7231508,,136,124,0,0,7,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PALLADATE(2-), TETRABROMO-, DIPOTASSIUM, (SP-4-1)-",013826-93-2,61688,dipotassium;tetrabromopalladium(2-),[K+].[K+].Br[Pd-2](Br)(Br)Br,InChI=1S/4BrH.2K.Pd/h4*1H;;;/q;;;;2*+1;+2/p-4,RIURRBMISBBRGH-UHFFFAOYSA-J,Br4K2Pd,504.23,503.50014,,0,19,0,0,1,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETIC ACID, GADOLINIUM(3+) SALT",016056-77-2,87072139,acetic acid;gadolinium,CC(=O)O.[Gd],"InChI=1S/C2H4O2.Gd/c1-2(3)4;/h1H3,(H,3,4);",UFTRWNPMJPHIBG-UHFFFAOYSA-N,C2H4GdO2,217.3,217.94524,,37.3,31,0,1,2,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"OCTANOIC ACID, 4-ETHYL-",016493-80-4,61840,4-ethyloctanoic acid,CCCCC(CC)CCC(=O)O,"InChI=1S/C10H20O2/c1-3-5-6-9(4-2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)",PWKJMPFEQOHBAC-UHFFFAOYSA-N,C10H20O2,172.26,172.1463299,3.6,37.3,121,0,1,2,7,12,,110.00 °C. @ 1.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"7-TETRADECEN-1-OL, ACETATE, (Z)-",016974-10-0,5363386,[(Z)-tetradec-7-enyl] acetate,CCCCCC/C=C\CCCCCCOC(=O)C,"InChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h8-9H,3-7,10-15H2,1-2H3/b9-8-",UEZQOSGCHCNWOE-HJWRWDBZSA-N,C16H30O2,254.41,254.2245802,5.9,26.3,209,0,0,2,13,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-NONADIENAL, (E,E)-",017587-33-6,636687,"(2E,6E)-nona-2,6-dienal",CC/C=C/CC/C=C/C=O,"InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,7-9H,2,5-6H2,1H3/b4-3+,8-7+",HZYHMHHBBBSGHB-DYWGDJMRSA-N,C9H14O,138.21,138.1044651,2.2,17.1,123,0,0,1,5,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"RHODATE(3-), HEXAKIS(NITRITO-N)-, TRIPOTASSIUM, (OC-6-11)-",017712-66-2,23434447,tripotassium;rhodium;hexanitrite,N(=O)[O-].N(=O)[O-].N(=O)[O-].N(=O)[O-].N(=O)[O-].N(=O)[O-].[K+].[K+].[K+].[Rh],"InChI=1S/3K.6HNO2.Rh/c;;;6*2-1-3;/h;;;6*(H,2,3);/q3*+1;;;;;;;/p-6",RKFOKQCKJHAAHS-UHFFFAOYSA-H,K3N6O12Rh-3,496.23,495.75403,,315,97,-3,0,18,0,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-HENEICOSAFLUORODODECYL ESTER",017741-60-5,87274,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl prop-2-enoate",C=CC(=O)OCCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C15H7F21O2/c1-2-5(37)38-4-3-6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)12(28,29)13(30,31)14(32,33)15(34,35)36/h2H,1,3-4H2",FIAHOPQKBBASOY-UHFFFAOYSA-N,C15H7F21O2,618.18,618.0110709,8.2,26.3,884,0,0,23,13,38,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-OCTEN-1-OL, (E)-",018409-17-1,5318599,(E)-oct-2-en-1-ol,CCCCC/C=C/CO,"InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h6-7,9H,2-5,8H2,1H3/b7-6+",AYQPVPFZWIQERS-VOTSOKGWSA-N,C8H16O,128.21,128.1201151,2.5,20.2,67,0,1,1,5,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 2-METHYL-, (1,1,3,3-TETRAMETHYL-1,3-DISILOXANEDIYL)DI-3,1-PR",018547-93-8,87703,3-[[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate,CC(=C)C(=O)OCCC[Si](C)(C)O[Si](C)(C)CCCOC(=O)C(=C)C,"InChI=1S/C18H34O5Si2/c1-15(2)17(19)21-11-9-13-24(5,6)23-25(7,8)14-10-12-22-18(20)16(3)4/h1,3,9-14H2,2,4-8H3",ZIFLDVXQTMSDJE-UHFFFAOYSA-N,C18H34O5Si2,386.6,386.1944773,,61.8,454,0,0,5,14,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHONIC ACID, DIDODECYL ESTER",021302-09-0,88863,1-dodecoxyphosphonoyloxydodecane,CCCCCCCCCCCCOP(=O)OCCCCCCCCCCCC,"InChI=1S/C24H51O3P/c1-3-5-7-9-11-13-15-17-19-21-23-26-28(25)27-24-22-20-18-16-14-12-10-8-6-4-2/h28H,3-24H2,1-2H3",KQWYQZYVKPPMBX-UHFFFAOYSA-N,C24H51O3P,418.6,418.3575825,10.6,35.5,282,0,0,3,24,28,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"THIOSULFURIC ACID (H2S2O3), DISILVER(1+) SALT",023149-52-2,9905473,disilver;dioxido-oxo-sulfanylidene-lambda6-sulfane,[O-]S(=O)(=S)[O-].[Ag+].[Ag+],"InChI=1S/2Ag.H2O3S2/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2",BLZGNFOLSIAOSQ-UHFFFAOYSA-L,Ag2O3S2,327.87,327.73873,,104,82,0,0,4,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-HEXANOL, ALUMINUM SALT",023275-26-5,159947,aluminum tris(hexan-1-olate),CCCCCC[O-].CCCCCC[O-].CCCCCC[O-].[Al+3],"InChI=1S/3C6H13O.Al/c3*1-2-3-4-5-6-7;/h3*2-6H2,1H3;/q3*-1;+3",QFCVQKSWGFVMTB-UHFFFAOYSA-N,C18H39AlO3,330.5,330.2714585,,69.2,27,0,0,3,12,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"6-NONEN-1-YN-3-OL, 3,7-DIMETHYL-",024173-47-5,91133,"3,7-dimethylnon-6-en-1-yn-3-ol",CCC(=CCCC(C)(C#C)O)C,"InChI=1S/C11H18O/c1-5-10(3)8-7-9-11(4,12)6-2/h2,8,12H,5,7,9H2,1,3-4H3",OJXKWJPEGDDDHH-UHFFFAOYSA-N,C11H18O,166.26,166.1357652,2.6,20.2,206,0,1,1,5,12,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"FORMAMIDE, N,N-BIS(2-HYDROXYETHYL)-",025209-66-9,91333,"N,N-bis(2-hydroxyethyl)formamide",C(CO)N(CCO)C=O,"InChI=1S/C5H11NO3/c7-3-1-6(5-9)2-4-8/h5,7-8H,1-4H2",AGQSGSYOSSBGLI-UHFFFAOYSA-N,C5H11NO3,133.15,133.0738932,-1.6,60.8,70,0,2,3,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANESULFONIC ACID, 2-[(AMINOIMINOMETHYL)THIO]-",025985-57-3,117698,2-carbamimidoylsulfanylethanesulfonic acid,C(CS(=O)(=O)O)SC(=N)N,"InChI=1S/C3H8N2O3S2/c4-3(5)9-1-2-10(6,7)8/h1-2H2,(H3,4,5)(H,6,7,8)",LTHWZZOUNJCHES-UHFFFAOYSA-N,C3H8N2O3S2,184.2,183.9976345,-0.9,138,204,0,3,5,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ISONONANOIC ACID, MANGANESE SALT",029826-51-5,169094,manganese(2+);bis(7-methyloctanoate),CC(C)CCCCCC(=O)[O-].CC(C)CCCCCC(=O)[O-].[Mn+2],"InChI=1S/2C9H18O2.Mn/c2*1-8(2)6-4-3-5-7-9(10)11;/h2*8H,3-7H2,1-2H3,(H,10,11);/q;;+2/p-2",PDSCRKVHEBVLOM-UHFFFAOYSA-L,C18H34MnO4,369.4,369.183753,,80.3,103,0,0,4,10,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"11-TETRADECEN-1-OL, ACETATE, (E)-",033189-72-9,5367650,[(E)-tetradec-11-enyl] acetate,CC/C=C/CCCCCCCCCCOC(=O)C,"InChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-5H,3,6-15H2,1-2H3/b5-4+",YJINQJFQLQIYHX-SNAWJCMRSA-N,C16H30O2,254.41,254.2245802,5.9,26.3,209,0,0,2,13,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9-OCTADECEN-1-OL, METHANESULFONATE, (Z)-",035709-09-2,6016198,[(Z)-octadec-9-enyl] methanesulfonate,CCCCCCCC/C=C\CCCCCCCCOS(=O)(=O)C,"InChI=1S/C19H38O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-23(2,20)21/h10-11H,3-9,12-19H2,1-2H3/b11-10-",SFCVHVDJESFESU-KHPPLWFESA-N,C19H38O3S,346.6,346.2541662,7.5,51.8,355,0,0,3,17,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ISOOCTANOIC ACID, MANGANESE(2+) SALT",037449-19-7,73555762,manganese(2+);bis(6-methylheptanoate),CC(C)CCCCC(=O)[O-].CC(C)CCCCC(=O)[O-].[Mn+2],"InChI=1S/2C8H16O2.Mn/c2*1-7(2)5-3-4-6-8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2",LSKJZEDMESDBLU-UHFFFAOYSA-L,C16H30MnO4,341.34,341.152452,,80.3,91,0,0,4,8,21,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"ZINC(2+), TETRAAMMINE-, (T-4)-, CARBONATE (1:1)",038714-47-5,162322,zinc;azane;carbonate,C(=O)([O-])[O-].N.N.N.N.[Zn+2],"InChI=1S/CH2O3.4H3N.Zn/c2-1(3)4;;;;;/h(H2,2,3,4);4*1H3;/q;;;;;+2/p-2",WBRIIVSCBYNWJT-UHFFFAOYSA-L,CH12N4O3Zn,193.5,192.020082,,67.2,18,0,4,7,0,9,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-(CARBOXYMETHYL)-.OMEGA.-(9-OCTADECENYLOXY)-,",038816-48-7,23688972,sodium 2-[2-[(E)-octadec-8-enoxy]ethoxy]acetate,CCCCCCCCC/C=C/CCCCCCCOCCOCC(=O)[O-].[Na+],"InChI=1S/C22H42O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-19-20-26-21-22(23)24;/h10-11H,2-9,12-21H2,1H3,(H,23,24);/q;+1/p-1/b11-10+;",DQEWELPNYUOALE-ASTDGNLGSA-M,C22H41NaO4,392.5,392.2902541,,58.6,321,0,0,4,21,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-PROPENOIC ACID, EICOSYL ESTER",048076-38-6,162078,icosyl prop-2-enoate,CCCCCCCCCCCCCCCCCCCCOC(=O)C=C,"InChI=1S/C23H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-23(24)4-2/h4H,2-3,5-22H2,1H3",NGYRYRBDIPYKTL-UHFFFAOYSA-N,C23H44O2,352.6,352.3341306,10.5,26.3,286,0,0,2,21,25,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"STANNANE, BUTYLOXO-",051590-67-1,6328285,,CCCC[Sn]=O,"InChI=1S/C4H9.O.Sn/c1-3-4-2;;/h1,3-4H2,2H3;;",BVFSYZFXJYAPQJ-UHFFFAOYSA-N,C4H9OSn,191.82,192.967542,,17.1,36,0,0,1,2,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N-BIS(2-HYDROXYETHYL)-9,12-OCTADECADIENAMIDE",056863-02-6,9976267,"(9Z,12Z)-N,N-bis(2-hydroxyethyl)octadeca-9,12-dienamide",CCCCC/C=C\C/C=C\CCCCCCCC(=O)N(CCO)CCO,"InChI=1S/C22H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25/h6-7,9-10,24-25H,2-5,8,11-21H2,1H3/b7-6-,10-9-",CKNOIIXFUKKRIC-HZJYTTRNSA-N,C22H41NO3,367.6,367.3086442,5.1,60.8,360,0,2,3,18,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"DODECANEDIOIC ACID, AMMONIUM SALT",059864-79-8,6453865,diazanium;dodecanedioate,C(CCCCCC(=O)[O-])CCCCC(=O)[O-].[NH4+].[NH4+],"InChI=1S/C12H22O4.2H3N/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16;;/h1-10H2,(H,13,14)(H,15,16);2*1H3",GPEVMRFAFMVKHK-UHFFFAOYSA-N,C12H28N2O4,264.36,264.2049074,,82.3,168,0,2,4,9,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3-BUTANEDIONE, DIOXIME, DISODIUM SALT",060908-54-5,108524,"disodium;2-N,3-N-dioxidobutane-2,3-diimine",CC(=N[O-])C(=N[O-])C.[Na+].[Na+],"InChI=1S/C4H8N2O2.2Na/c1-3(5-7)4(2)6-8;;/h7-8H,1-2H3;;/q;2*+1/p-2",QLTLFMCLBXKKCR-UHFFFAOYSA-L,C4H6N2Na2O2,160.08,160.022466,,70.8,112,0,0,4,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TITANIUM, TRIS(ISOOCTADECANOATO-O)(2-PROPANOLATO)-",061417-49-0,162941,tris(16-methylheptadecanoic acid);propan-2-ol;titanium,CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)O.[Ti],"InChI=1S/3C18H36O2.C3H8O.Ti/c3*1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;1-3(2)4;/h3*17H,3-16H2,1-2H3,(H,19,20);3-4H,1-2H3;",IEKHISJGRIEHRE-UHFFFAOYSA-N,C57H116O7Ti,961.4,960.8200467,,132,798,0,4,7,45,65,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANEDIOIC ACID, 2,3-DIHYDROXY-, BIS(1-METHYLETHYL) ESTER, [S-(R*,R*)]-",062961-64-2,112972,"dipropan-2-yl (2S,3S)-2,3-dihydroxybutanedioate",CC(C)OC(=O)[C@H]([C@@H](C(=O)OC(C)C)O)O,"InChI=1S/C10H18O6/c1-5(2)15-9(13)7(11)8(12)10(14)16-6(3)4/h5-8,11-12H,1-4H3/t7-,8-/m0/s1",XEBCWEDRGPSHQH-YUMQZZPRSA-N,C10H18O6,234.25,234.1103383,0.6,93.1,222,0,2,6,7,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TITANATE(2-), BIS(DITRIDECYL PHOSPHITO-O')TETRAKIS(2-PROPANOLATO)-, DIHYDROGE",065460-51-7,105197,bis(ditridecyl phosphite);hydron;tetrakis(propan-2-olate);titanium(4+),[H+].[H+].CCCCCCCCCCCCCOP([O-])OCCCCCCCCCCCCC.CCCCCCCCCCCCCOP([O-])OCCCCCCCCCCCCC.CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4],"InChI=1S/2C26H54O3P.4C3H7O.Ti/c2*1-3-5-7-9-11-13-15-17-19-21-23-25-28-30(27)29-26-24-22-20-18-16-14-12-10-8-6-4-2;4*1-3(2)4;/h2*3-26H2,1-2H3;4*3H,1-2H3;/q6*-1;+4/p+2",BGPFWYLWWRUMAE-UHFFFAOYSA-P,C64H138O10P2Ti,1177.6,1176.924465,,175,285,0,2,10,52,77,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-ISODECYL-.OMEGA.-HYDROXY-, PHOSPHATE, POTASS",068071-17-0,23674313,potassium;dihydrogen phosphate;2-(8-methylnonoxy)ethanol,CC(C)CCCCCCCOCCO.OP(=O)(O)[O-].[K+],"InChI=1S/C12H26O2.K.H3O4P/c1-12(2)8-6-4-3-5-7-10-14-11-9-13;;1-5(2,3)4/h12-13H,3-11H2,1-2H3;;(H3,1,2,3,4)/q;+1;/p-1",KFADOGQIHVXMHU-UHFFFAOYSA-M,C12H28KO6P,338.42,338.1260571,,110,164,0,3,6,10,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"OCTANEDIOIC ACID, ETHYL-",068171-34-6,84204,8-ethoxy-8-oxooctanoic acid,CCOC(=O)CCCCCCC(=O)O,"InChI=1S/C10H18O4/c1-2-14-10(13)8-6-4-3-5-7-9(11)12/h2-8H2,1H3,(H,11,12)",KCFVQEAPUOVXTH-UHFFFAOYSA-N,C10H18O4,202.25,202.1205091,1.7,63.6,177,0,1,4,9,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ETHANOL, 2-BUTOXY-, PHOSPHATE, SODIUM SALT",072283-34-2,175024,disodium;2-butoxyethyl phosphate,CCCCOCCOP(=O)([O-])[O-].[Na+].[Na+],"InChI=1S/C6H15O5P.2Na/c1-2-3-4-10-5-6-11-12(7,8)9;;/h2-6H2,1H3,(H2,7,8,9);;/q;2*+1/p-2",MPFVDKFRCLZQKV-UHFFFAOYSA-L,C6H13Na2O5P,242.12,242.0295991,,81.7,131,0,0,5,6,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-PROPANAMINIUM, 2-HYDROXY-N-(2-HYDROXYETHYL)-N-METHYL-N-[2-[(1-OXO-9-OCTADECE",073791-62-5,6441845,sodium;2-hydroxy-3-[2-hydroxyethyl-methyl-[2-[[(E)-octadec-9-enoyl]amino]ethyl]azaniumyl]propane-1-sulfonate;methyl sulfate,CCCCCCCC/C=C/CCCCCCCC(=O)NCC[N+](C)(CCO)CC(CS(=O)(=O)[O-])O.COS(=O)(=O)[O-].[Na+],"InChI=1S/C26H52N2O6S.CH4O4S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(31)27-19-20-28(2,21-22-29)23-25(30)24-35(32,33)34;1-5-6(2,3)4;/h10-11,25,29-30H,3-9,12-24H2,1-2H3,(H-,27,31,32,33,34);1H3,(H,2,3,4);/q;;+1/p-1/b11-10+;;",HUYSJTOEPQIWCM-BGNBUWATSA-M,C27H55N2NaO10S2,654.9,654.3195826,,210,728,0,3,10,23,42,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
EDTA AMMONIUM SALT (TETRAAMMONIUM ETHYLENEDIAMINETETRAACETATE),022473-78-5,15250631,tetraazanium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate,C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[NH4+].[NH4+].[NH4+].[NH4+],"InChI=1S/C10H16N2O8.4H3N/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);4*1H3",LESFYQKBUCDEQP-UHFFFAOYSA-N,C10H28N6O8,360.37,360.1968619,,171,293,0,4,10,7,24,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"2,2-(BIS-2-PROPENOLATOMETHYL)BUTANOLATO, TRIS(DIISOOCTYL)PHOSPHATO-O",110438-25-0,131844263,"2,2-bis(prop-2-enoxymethyl)butan-1-olate;tris(dioctyl phosphate);titanium(4+)",CCCCCCCCOP(=O)([O-])OCCCCCCCC.CCCCCCCCOP(=O)([O-])OCCCCCCCC.CCCCCCCCOP(=O)([O-])OCCCCCCCC.CCC(C[O-])(COCC=C)COCC=C.[Ti+4],"InChI=1S/3C16H35O4P.C12H21O3.Ti/c3*1-3-5-7-9-11-13-15-19-21(17,18)20-16-14-12-10-8-6-4-2;1-4-7-14-10-12(6-3,9-13)11-15-8-5-2;/h3*3-16H2,1-2H3,(H,17,18);4-5H,1-2,6-11H2,3H3;/q;;;-1;+4/p-3",NRKANXSTZFTKCR-UHFFFAOYSA-K,C60H123O15P3Ti,1225.4,1224.755425,,217,1150,0,0,15,56,79,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
SULFATE OF POTASH MAGNESIA (LANGBEINITE),014977-37-8,73357795,dimagnesium;dipotassium;sulfuric acid,OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.[Mg+2].[Mg+2].[K+].[K+],"InChI=1S/2K.2Mg.3H2O4S/c;;;;3*1-5(2,3)4/h;;;;3*(H2,1,2,3,4)/q2*+1;2*+2;;;",WZISDKTXHMETKG-UHFFFAOYSA-N,H6K2Mg2O12S3+6,421.1,419.7996355,,249,81,6,6,12,0,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYLENE DIUREA,013547-17-6,61645,(carbamoylamino)methylurea,C(NC(=O)N)NC(=O)N,"InChI=1S/C3H8N4O2/c4-2(8)6-1-7-3(5)9/h1H2,(H3,4,6,8)(H3,5,7,9)",KQVLODRFGIKJHZ-UHFFFAOYSA-N,C3H8N4O2,132.12,132.0647255,-2.2,110,109,0,4,2,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
YTTRIUM METHOXYETHOXIDE,115668-57-0,14452922,tris(2-methoxyethanolate);yttrium(3+),COCC[O-].COCC[O-].COCC[O-].[Y+3],"InChI=1S/3C3H7O2.Y/c3*1-5-3-2-4;/h3*2-3H2,1H3;/q3*-1;+3",IVXUPDRNSUCVNX-UHFFFAOYSA-N,C9H21O6Y,314.17,314.039652,,96.9,14,0,0,6,6,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIETHYLENE GLYCOL MONOMETHACARYLATE,002351-43-1,11321244,2-(2-hydroxyethoxy)ethyl 2-methylprop-2-enoate,CC(=C)C(=O)OCCOCCO,"InChI=1S/C8H14O4/c1-7(2)8(10)12-6-5-11-4-3-9/h9H,1,3-6H2,2H3",OLQFXOWPTQTLDP-UHFFFAOYSA-N,C8H14O4,174.19,174.0892089,0.3,55.8,153,0,1,4,7,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
ETHOXY TRI(ETHYLMETHYLKETOXIME) SILANE,101371-00-0,93530,tris(butan-2-ylideneamino) ethyl silicate,CCC(=NO[Si](OCC)(ON=C(C)CC)ON=C(C)CC)C,"InChI=1S/C14H29N3O4Si/c1-8-12(5)15-19-22(18-11-4,20-16-13(6)9-2)21-17-14(7)10-3/h8-11H2,1-7H3",YCMWPOSJKIPEMT-UHFFFAOYSA-N,C14H29N3O4Si,331.48,331.192733,,74,356,0,0,7,11,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
TRIETHOXY (ETHYLMETHYLKETOXIME) SILANE,101371-01-1,93531,(butan-2-ylideneamino) triethyl silicate,CCC(=NO[Si](OCC)(OCC)OCC)C,"InChI=1S/C10H23NO4Si/c1-6-10(5)11-15-16(12-7-2,13-8-3)14-9-4/h6-9H2,1-5H3",QQDVURZPCZXMLQ-UHFFFAOYSA-N,C10H23NO4Si,249.38,249.1396348,,49.3,194,0,0,5,9,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"YTTRIUM BUTOXIDE (YTTRIUM(3+)SALT, 1-BUTANOL)",111941-71-0,4320949,tris(butan-1-ol);yttrium,CCCCO.CCCCO.CCCCO.[Y],"InChI=1S/3C4H10O.Y/c3*1-2-3-4-5;/h3*5H,2-4H2,1H3;",DFOMPYFFBAELGP-UHFFFAOYSA-N,C12H30O3Y,311.27,311.125333,,60.7,59,0,3,3,6,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAMETHYLAMMONIUM FORMATE,059138-84-0,42961,tetramethylazanium formate,C[N+](C)(C)C.C(=O)[O-],"InChI=1S/C4H12N.CH2O2/c1-5(2,3)4;2-1-3/h1-4H3;1H,(H,2,3)/q+1;/p-1",WWIYWFVQZQOECA-UHFFFAOYSA-M,C5H13NO2,119.16,119.0946287,,40.1,26,0,0,2,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ZIRCONYL PHOSPHATE,019764-74-0,160986,tris(zirconium(4+));tetraphosphate,[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Zr+4].[Zr+4].[Zr+4],"InChI=1S/4H3O4P.3Zr/c4*1-5(2,3)4;;;/h4*(H3,1,2,3,4);;;/q;;;;3*+4/p-12",LEHFSLREWWMLPU-UHFFFAOYSA-B,O16P4Zr3,653.55,653.529392,,345,36,0,0,16,0,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
7-AMINOHEPTANOIC ACID,068929-17-9,13580,7-aminoheptanoic acid,C(CCCN)CCC(=O)O,"InChI=1S/C7H15NO2/c8-6-4-2-1-3-5-7(9)10/h1-6,8H2,(H,9,10)",XDOLZJYETYVRKV-UHFFFAOYSA-N,C7H15NO2,145.2,145.1102787,-3,63.3,93,0,2,3,6,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PLATINUM BROMIDE (PTBR2),013455-12-4,83486,dibromoplatinum,Br[Pt]Br,InChI=1S/2BrH.Pt/h2*1H;/q;;+2/p-2,KGRJUMGAEQQVFK-UHFFFAOYSA-L,Br2Pt,354.89,354.79942,,0,2,0,0,0,0,3,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SULFURIC ACID, YTTERBIUM(3+) SALT (3:2)",013469-97-1,166823,bis(ytterbium(3+));trisulfate,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Yb+3].[Yb+3],"InChI=1S/3H2O4S.2Yb/c3*1-5(2,3)4;;/h3*(H2,1,2,3,4);;/q;;;2*+3/p-6",KVCOOBXEBNBTGL-UHFFFAOYSA-H,O12S3Yb2,634.3,633.7304432,,266,62,0,0,12,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
EUROPIUM(III) TRIFLUOROACETATE HYDRATE,,71317441,"europium(3+);tris(2,2,2-trifluoroacetate);trihydrate",C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].O.O.O.[Eu+3],"InChI=1S/3C2HF3O2.Eu.3H2O/c3*3-2(4,5)1(6)7;;;;/h3*(H,6,7);;3*1H2/q;;;+3;;;/p-3",XRSVOJDENGHXJS-UHFFFAOYSA-K,C6H6EuF9O9,545.06,545.90805,,123,77,0,3,18,0,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-OCTANOL,000123-96-6,20083,octan-2-ol,CCCCCCC(C)O,"InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3",SJWFXCIHNDVPSH-UHFFFAOYSA-N,C8H18O,130.23,130.1357652,2.9,20.2,52,0,1,1,5,9,76 °C,179 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
DIMETHYL SULFOXIDE,000067-68-5,679,methylsulfinylmethane,CS(=O)C,InChI=1S/C2H6OS/c1-4(2)3/h1-2H3,IAZDPXIOMUYVGZ-UHFFFAOYSA-N,C2H6OS,78.14,78.01393598,-0.6,36.3,29,0,0,2,0,4,"203 °F (NTP, 1992)","372 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-DECANAL,000112-31-2,8175,decanal,CCCCCCCCCC=O,"InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3",KSMVZQYAVGTKIV-UHFFFAOYSA-N,C10H20O,156.26,156.1514153,3.8,17.1,78,0,0,1,8,11,"185 °F (USCG, 1999)","404 to 410 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
CITRAL,005392-40-5,638011,"(2E)-3,7-dimethylocta-2,6-dienal",CC(=CCC/C(=C/C=O)/C)C,"InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+",WTEVQBCEXWBHNA-JXMROGBWSA-N,C10H16O,152.23,152.1201151,3,17.1,171,0,0,1,4,11,"215 °F (NTP, 1992)","444 °F at 760 mmHg (Decomposes) (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"ACETIC ACID, DICHLORO-, METHYL ESTER",000116-54-1,8315,"methyl 2,2-dichloroacetate",COC(=O)C(Cl)Cl,"InChI=1S/C3H4Cl2O2/c1-7-3(6)2(4)5/h2H,1H3",HKMLRUAPIDAGIE-UHFFFAOYSA-N,C3H4Cl2O2,142.97,141.9588348,1.5,26.3,71,0,0,2,2,7,"176 °F (USCG, 1999)","289 °F at 760 mmHg (USCG, 1999)",0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CALCIUM SULFIDE,020548-54-3,10197613,calcium sulfide,[S-2].[Ca+2],InChI=1S/Ca.S/q+2;-2,AGVJBLHVMNHENQ-UHFFFAOYSA-N,CaS,72.15,71.934662,,1,0,0,0,1,0,2,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
IRON PHOSPHIDE,026508-33-8,159456,iron(3+);phosphorus(3-),[P-3].[Fe+3],InChI=1S/Fe.P/q+3;-3,JNRQHASIGICJBU-UHFFFAOYSA-N,FeP,86.82,86.908698,,0,0,0,0,1,0,2,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANOL, 2-[2-(DODECYLOXY)ETHOXY]-",003055-93-4,76457,2-(2-dodecoxyethoxy)ethanol,CCCCCCCCCCCCOCCOCCO,"InChI=1S/C16H34O3/c1-2-3-4-5-6-7-8-9-10-11-13-18-15-16-19-14-12-17/h17H,2-16H2,1H3",AZLWQVJVINEILY-UHFFFAOYSA-N,C16H34O3,274.44,274.2507949,4.9,38.7,151,0,1,3,16,19,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
SILVER LACTATE,000128-00-7,157644,silver 2-hydroxypropanoate,CC(C(=O)[O-])O.[Ag+],"InChI=1S/C3H6O3.Ag/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1",LMEWRZSPCQHBOB-UHFFFAOYSA-M,C3H5AgO3,196.94,195.92896,,60.4,53,0,1,3,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CALCIUM SULFIDE (CA(SX)),001344-81-6,121494065,,[S-]SSS[S-].[Ca+2],InChI=1S/Ca.H2S5/c;1-3-5-4-2/h;1-2H/q+2;/p-2,JNVCSEDACVAATK-UHFFFAOYSA-L,CaS5,200.4,199.8229467,,77.9,7,0,0,5,0,6,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,6,9,12,15,18,21,24,27,30,33,36-DODECAOXAOCTATETRACONTAN-1-OL, HYDROGEN SULFA",066161-57-7,23677334,sodium 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl sulfate,CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)[O-].[Na+],"InChI=1S/C36H74O16S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-40-13-14-41-15-16-42-17-18-43-19-20-44-21-22-45-23-24-46-25-26-47-27-28-48-29-30-49-31-32-50-33-34-51-35-36-52-53(37,38)39;/h2-36H2,1H3,(H,37,38,39);/q;+1/p-1",AGMRJQXCAJZJNK-UHFFFAOYSA-M,C36H73NaO16S,817,816.4517017,,186,782,0,0,16,48,54,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BUTANOIC ACID, 2-HYDROXY-4-(METHYLTHIO)-",000583-91-5,11427,2-hydroxy-4-methylsulfanylbutanoic acid,CSCCC(C(=O)O)O,"InChI=1S/C5H10O3S/c1-9-3-2-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)",ONFOSYPQQXJWGS-UHFFFAOYSA-N,C5H10O3S,150.2,150.0350654,0.2,82.8,94,0,2,4,4,9,"250 °F (USCG, 1999)",,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
LANTHANUM(III) TRIFLUOROMETHANESULFONATE,052093-26-2,2733938,lanthanum(3+);tris(trifluoromethanesulfonate),C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[La+3],"InChI=1S/3CHF3O3S.La/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3",WGJJZRVGLPOKQT-UHFFFAOYSA-K,C3F9LaO9S3,586.1,585.762436,,197,145,0,0,18,0,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,6-HEXANEDIOL DIACRYLATE",013048-33-4,25644,6-prop-2-enoyloxyhexyl prop-2-enoate,C=CC(=O)OCCCCCCOC(=O)C=C,"InChI=1S/C12H18O4/c1-3-11(13)15-9-7-5-6-8-10-16-12(14)4-2/h3-4H,1-2,5-10H2",FIHBHSQYSYVZQE-UHFFFAOYSA-N,C12H18O4,226.27,226.1205091,2.6,52.6,219,0,0,4,11,16,"greater than 200 °F (NTP, 1992)",224.6 °F,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
TRIMETHYLOLPROPANE TRIACRYLATE,015625-89-5,27423,"2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate",CCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,"InChI=1S/C15H20O6/c1-5-12(16)19-9-15(8-4,10-20-13(17)6-2)11-21-14(18)7-3/h5-7H,1-3,8-11H2,4H3",DAKWPKUUDNSNPN-UHFFFAOYSA-N,C15H20O6,296.31,296.1259884,2.7,78.9,364,0,0,6,13,21,,BP: >200 °C at 1 mm Hg,1,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"NONAFLUORO-1-BUTANESULFONIC ACID, POTASSIUM SALT",029420-49-3,23675274,"potassium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(C(F)(F)F)(F)F.[K+],"InChI=1S/C4HF9O3S.K/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;/h(H,14,15,16);/q;+1/p-1",LVTHXRLARFLXNR-UHFFFAOYSA-M,C4F9KO3S,338.19,337.90615,,65.6,393,0,0,12,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethane, 2-bromo-2-chloro-1,1,1-trifluoro-",000151-67-7,3562,"2-bromo-2-chloro-1,1,1-trifluoroethane",C(C(F)(F)F)(Cl)Br,"InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H",BCQZXOMGPXTTIC-UHFFFAOYSA-N,C2HBrClF3,197.38,195.89022,2.3,0,60,0,0,3,0,7,,"122.4 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,1,0,0,1,0,0,1,0,0,1
ENFLURANE,013838-16-9,3226,"2-chloro-1-(difluoromethoxy)-1,1,2-trifluoroethane",C(C(OC(F)F)(F)F)(F)Cl,"InChI=1S/C3H2ClF5O/c4-1(5)3(8,9)10-2(6)7/h1-2H",JPGQOUSTVILISH-UHFFFAOYSA-N,C3H2ClF5O,184.49,183.9714332,2.1,9.2,107,0,0,6,3,10,,"134 °F at 760 mmHg (NIOSH, 2024)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DECANOL,000112-30-1,8174,decan-1-ol,CCCCCCCCCCO,"InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3",MWKFXSUHUHTGQN-UHFFFAOYSA-N,C10H22O,158.28,158.1670653,4.6,20.2,61,0,1,1,8,11,"180 °F (USCG, 1999)","446 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-HEXADECANAMINE, N,N-DIMETHYL-, N-OXIDE",007128-91-8,3032528,"N,N-dimethylhexadecan-1-amine oxide",CCCCCCCCCCCCCCCC[N+](C)(C)[O-],"InChI=1S/C18H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2,3)20/h4-18H2,1-3H3",IBOBFGGLRNWLIL-UHFFFAOYSA-N,C18H39NO,285.5,285.3031649,7.5,18.1,192,0,0,1,15,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
1-TETRADECANOL,000112-72-1,8209,tetradecan-1-ol,CCCCCCCCCCCCCCO,"InChI=1S/C14H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3",HLZKNKRTKFSKGZ-UHFFFAOYSA-N,C14H30O,214.39,214.2296656,6.2,20.2,102,0,1,1,12,15,"285 °F (USCG, 1999)","505.8 °F at 760 mmHg (USCG, 1999)",1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
NICKEL SULFIDE,011113-75-0,166709,nickel(2+) sulfide,[S-2].[Ni+2],InChI=1S/Ni.S/q+2;-2,ADGNAMGSVYAHHD-UHFFFAOYSA-N,NiS,90.76,89.907413,,1,0,0,0,1,0,2,,,1,0,0,0,0,1,1,0,0,0,1,0,0,0,0,0,0,1,1,0
NICKEL TELLURIDE,012142-88-0,62780,tellanylidenenickel,[Ni]=[Te],InChI=1S/Ni.Te,NPEUSMKUOOTUGX-UHFFFAOYSA-N,NiTe,186.3,187.841564,,0,2,0,0,0,0,2,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,1,0
1-TETRADECANETHIOL,002079-95-0,64677,tetradecane-1-thiol,CCCCCCCCCCCCCCS,"InChI=1S/C14H30S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3",GEKDEMKPCKTKEC-UHFFFAOYSA-N,C14H30S,230.46,230.2068221,7.2,1,102,0,1,1,12,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
AMINOGUANIDINIUM HYDROGEN CARBONATE,002582-30-1,164944,2-aminoguanidine;carbonic acid,C(=NN)(N)N.C(=O)(O)O,"InChI=1S/CH6N4.CH2O3/c2-1(3)5-4;2-1(3)4/h4H2,(H4,2,3,5);(H2,2,3,4)",OTXHZHQQWQTQMW-UHFFFAOYSA-N,C2H8N4O3,136.11,136.0596401,,148,67,0,5,5,0,9,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,1,0,0
NICKEL TITANIUM OXIDE,012653-76-8,166728,nickel(2+);tris(oxygen(2-));titanium(4+),[O-2].[O-2].[O-2].[Ti+4].[Ni+2],InChI=1S/Ni.3O.Ti/q+2;3*-2;+4,KJLFZWJDCDJCFB-UHFFFAOYSA-N,NiO3Ti,154.559,153.868026,,3,0,0,0,3,0,5,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,1,0
COBALT NICKEL OXIDE (CONIO2),058591-45-0,173635,cobalt(2+);nickel(2+);bis(oxygen(2-)),[O-2].[O-2].[Co+2].[Ni+2],InChI=1S/Co.Ni.2O/q2*+2;2*-2,NXRFXMYBUJCTPI-UHFFFAOYSA-N,CoNiO2,149.625,148.858364,,2,0,0,0,2,0,4,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,1,0
COBALT TIN OXIDE (COSNO3),001345-19-3,159612,cobalt(2+);tris(oxygen(2-));tin(4+),[O-2].[O-2].[O-2].[Co+2].[Sn+4],InChI=1S/Co.3O.Sn/q+2;3*-2;+4,YFVOQMWSMQHHKP-UHFFFAOYSA-N,CoO3Sn,225.64,226.82014,,3,0,0,0,3,0,5,,,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0,0,1,1,0
2-ETHYLHEXANOIC ACID CHROMIUM SALT,007329-33-1,110967,chromium;2-ethylhexanoic acid,CCCCC(CC)C(=O)O.[Cr],"InChI=1S/C8H16O2.Cr/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);",NPCUWXDZFXSRLT-UHFFFAOYSA-N,C8H16CrO2,196.21,196.055534,,37.3,99,0,1,2,5,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0
NICKEL SILICIDE (NI2SI),012059-14-2,14767304,,[Si](=[Ni])=[Ni],InChI=1S/2Ni.Si,RUFLMLWJRZAWLJ-UHFFFAOYSA-N,Ni2Si,145.472,143.84761,,0,18,0,0,0,0,3,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,1,0
NICKEL SILICIDE (NISI2),012201-89-7,138395195,nickel(2+);bis(silicon(4+)),[Si+4].[Si+4].[Ni+2],InChI=1S/Ni.2Si/q+2;2*+4,KMTYGNUPYSXKGJ-UHFFFAOYSA-N,NiSi2+10,114.86,113.889195,,0,0,10,0,0,0,3,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,1,0
NICKEL TUNGSTATE,014177-51-6,84240,dioxido(dioxo)tungsten;nickel(2+),[O-][W](=O)(=O)[O-].[Ni+2],InChI=1S/Ni.4O.W/q+2;;;2*-1;,QLTKZXWDJGMCAR-UHFFFAOYSA-N,NiO4W,306.53,305.865933,,80.3,62,0,0,4,0,6,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,1,0
"DIPHOSPHORIC ACID, NICKEL(2+) SALT (1:2)",014448-18-1,167099,bis(nickel(2+));phosphonato phosphate,[O-]P(=O)([O-])OP(=O)([O-])[O-].[Ni+2].[Ni+2],"InChI=1S/2Ni.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+2;/p-4",OHPFZXJAABILIK-UHFFFAOYSA-J,Ni2O7P2,291.33,289.78261,,136,124,0,0,7,0,11,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1,1,0
"DIPHOSPHORIC ACID, NICKEL(2+) SALT",019372-20-4,44146067,nickel(2+);phosphonato phosphate,[O-]P(=O)([O-])OP(=O)([O-])[O-].[Ni+2],"InChI=1S/Ni.H4O7P2/c;1-8(2,3)7-9(4,5)6/h;(H2,1,2,3)(H2,4,5,6)/q+2;/p-4",QAFJCFNEKICMDN-UHFFFAOYSA-J,NiO7P2-2,232.64,231.847268,,136,124,-2,0,7,0,10,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1,1,0
"FORMIC ACID, COPPER NICKEL SALT",068134-59-8,176264,copper;nickel(2+);formate,C(=O)[O-].[Ni+2].[Cu+2],"InChI=1S/CH2O2.Cu.Ni/c2-1-3;;/h1H,(H,2,3);;/q;2*+2/p-1",ZIWUNYMPOCRTJL-UHFFFAOYSA-M,CHCuNiO2+3,167.26,165.862593,,40.1,7,3,0,2,0,5,,,1,0,0,0,0,1,1,0,0,0,1,0,0,1,1,0,0,1,1,0
"1-PROPANAMINIUM, N,N-DIMETHYL-3-[(1-OXOOCTADECYL)AMINO]-N-[2-OXO-2-(TETRADECYL",068921-83-5,111772,dimethyl-[3-(octadecanoylamino)propyl]-(2-oxo-2-tetradecoxyethyl)azanium chloride,CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)OCCCCCCCCCCCCCC.[Cl-],"InChI=1S/C39H78N2O3.ClH/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-33-38(42)40-34-32-35-41(3,4)37-39(43)44-36-31-29-27-25-23-18-16-14-12-10-8-6-2;/h5-37H2,1-4H3;1H",DKJLEUVQMKPSHB-UHFFFAOYSA-N,C39H79ClN2O3,659.5,658.5779221,,55.4,622,0,1,4,36,45,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
2-HYDROXYPROPYL METHACRYLATE,000923-26-2,13539,2-hydroxypropyl 2-methylprop-2-enoate,CC(COC(=O)C(=C)C)O,"InChI=1S/C7H12O3/c1-5(2)7(9)10-4-6(3)8/h6,8H,1,4H2,2-3H3",VHSHLMUCYSAUQU-UHFFFAOYSA-N,C7H12O3,144.17,144.0786442,1,46.5,140,0,1,3,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
LITHIUM NICKEL COBALT ALUMINUM OXIDE,193214-24-3,22610795,aluminum;lithium;cobalt(2+);nickel(2+);tetrakis(oxygen(2-)),[Li+].[O-2].[O-2].[O-2].[O-2].[Al+3].[Co+2].[Ni+2],InChI=1S/Al.Co.Li.Ni.4O/q+3;+2;+1;+2;4*-2,NDPGDHBNXZOBJS-UHFFFAOYSA-N,AlCoLiNiO4,215.6,214.845735,,4,0,0,0,4,0,8,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"UNDECEN-2-ONE, 6,10-DIMETHYL-",001322-58-3,102604,"6,10-dimethylundec-9-en-2-one",CC(CCCC(=O)C)CCC=C(C)C,"InChI=1S/C13H24O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,12H,5-6,8-10H2,1-4H3",LGVYUZVANMHKHV-UHFFFAOYSA-N,C13H24O,196.33,196.1827154,4.1,17.1,187,0,0,1,7,14,,234.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
TETRABUTYLTHIURAM DISULFIDE,001634-02-2,15412,"dibutylcarbamothioylsulfanyl N,N-dibutylcarbamodithioate",CCCCN(CCCC)C(=S)SSC(=S)N(CCCC)CCCC,"InChI=1S/C18H36N2S4/c1-5-9-13-19(14-10-6-2)17(21)23-24-18(22)20(15-11-7-3)16-12-8-4/h5-16H2,1-4H3",PGAXJQVAHDTGBB-UHFFFAOYSA-N,C18H36N2S4,408.8,408.1761339,7.4,121,289,0,0,4,15,24,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-PROPENOIC ACID, 2-METHYL-, 3-HYDROXYPROPYL ESTER",002761-09-3,17694,3-hydroxypropyl 2-methylprop-2-enoate,CC(=C)C(=O)OCCCO,"InChI=1S/C7H12O3/c1-6(2)7(9)10-5-3-4-8/h8H,1,3-5H2,2H3",GNSFRPWPOGYVLO-UHFFFAOYSA-N,C7H12O3,144.17,144.0786442,1.3,46.5,129,0,1,3,5,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"DODECANOIC ACID, OCTYL ESTER",005303-24-2,79185,octyl dodecanoate,CCCCCCCCCCCC(=O)OCCCCCCCC,"InChI=1S/C20H40O2/c1-3-5-7-9-11-12-13-14-16-18-20(21)22-19-17-15-10-8-6-4-2/h3-19H2,1-2H3",BBZAGOMQOSEWBH-UHFFFAOYSA-N,C20H40O2,312.5,312.3028305,8.7,26.3,226,0,0,2,18,22,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-BUTENEDIOIC ACID (Z)-, BIS(1-METHYLETHYL) ESTER",010099-70-4,23711,dipropan-2-yl but-2-enedioate,CC(C)OC(=O)C=CC(=O)OC(C)C,"InChI=1S/C10H16O4/c1-7(2)13-9(11)5-6-10(12)14-8(3)4/h5-8H,1-4H3",FNMTVMWFISHPEV-UHFFFAOYSA-N,C10H16O4,200.23,200.104859,1.8,52.6,204,0,0,4,6,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1-UNDECANOL, 2-METHYL-",010522-26-6,66341,2-methylundecan-1-ol,CCCCCCCCCC(C)CO,"InChI=1S/C12H26O/c1-3-4-5-6-7-8-9-10-12(2)11-13/h12-13H,3-11H2,1-2H3",FGZXHVORLPLICA-UHFFFAOYSA-N,C12H26O,186.33,186.1983654,5,20.2,91,0,1,1,9,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"9-TRICOSENE, (Z)-",027519-02-4,5365075,(Z)-tricos-9-ene,CCCCCCCCCCCCC/C=C\CCCCCCCC,"InChI=1S/C23H46/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-23H2,1-2H3/b19-17-",IGOWHGRNPLFNDJ-ZPHPHTNESA-N,C23H46,322.6,322.3599515,11.7,0,216,0,0,0,19,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"3,6,8,11-TETRAOXA-7-PHOSPHATRIDECANE-1,13-DIOL, 7-[2-(2-HYDROXYMETHYLETHOXY)ME",036788-39-3,169815,"2-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyethyl 2-(2-hydroxyethoxy)ethyl 1-(3-hydroxypropoxy)propan-2-yl phosphite",CC(COCCCO)OP(OCCOCCO)OCCOC(C)(C)C(C)(C)O,"InChI=1S/C18H39O9P/c1-16(15-23-9-6-7-19)27-28(25-13-11-22-10-8-20)26-14-12-24-18(4,5)17(2,3)21/h16,19-21H,6-15H2,1-5H3",UWZDFCRDAZFRFU-UHFFFAOYSA-N,C18H39O9P,430.5,430.2331698,-0.4,116,369,0,3,9,19,28,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0
"1-PROPENE, 3-[3-(3-METHOXYPROPOXY)PROPOXY]-",067815-92-3,105682,1-methoxy-3-(3-prop-2-enoxypropoxy)propane,COCCCOCCCOCC=C,"InChI=1S/C10H20O3/c1-3-6-12-9-5-10-13-8-4-7-11-2/h3H,1,4-10H2,2H3",SUYJKSCZQUDNKH-UHFFFAOYSA-N,C10H20O3,188.26,188.1412445,1.1,27.7,104,0,0,3,10,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"PENTASULFIDE, BIS(2,2,4-TRIMETHYLPENTYL)",078718-06-6,174158,"2,2,4-trimethyl-1-(2,2,4-trimethylpentylpentasulfanyl)pentane",CC(C)CC(C)(C)CSSSSSCC(C)(C)CC(C)C,"InChI=1S/C16H34S5/c1-13(2)9-15(5,6)11-17-19-21-20-18-12-16(7,8)10-14(3)4/h13-14H,9-12H2,1-8H3",AMIJQOBXZNYGJF-UHFFFAOYSA-N,C16H34S5,386.8,386.126407,8,127,235,0,0,5,12,21,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-NONYNOIC ACID, 2-METHYLPROPYL ESTER",084282-44-0,163409,2-methylpropyl non-2-ynoate,CCCCCCC#CC(=O)OCC(C)C,"InChI=1S/C13H22O2/c1-4-5-6-7-8-9-10-13(14)15-11-12(2)3/h12H,4-8,11H2,1-3H3",TULZIKLJXPEPLR-UHFFFAOYSA-N,C13H22O2,210.31,210.1619799,5,26.3,229,0,0,2,7,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
PENTAMETHYLHEPTENONE,081786-74-5,6365813,"(E)-3,4,5,6,6-pentamethylhept-3-en-2-one",CC(/C(=C(\C)/C(=O)C)/C)C(C)(C)C,"InChI=1S/C12H22O/c1-8(9(2)11(4)13)10(3)12(5,6)7/h10H,1-7H3/b9-8+",IXIYWQIFBRZMNR-CMDGGOBGSA-N,C12H22O,182.3,182.1670653,3.7,17.1,228,0,0,1,3,13,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
NICKEL METAL (SOLID),007440-02-0,935,nickel,[Ni],InChI=1S/Ni,PXHVJJICTQNCMI-UHFFFAOYSA-N,Ni,58.693,57.935342,,0,0,0,0,0,0,1,,"5139 °F at 760 mmHg (NIOSH, 2024)",0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,1,0
NICKEL FLUORIDE,010028-18-9,24825,difluoronickel,F[Ni]F,InChI=1S/2FH.Ni/h2*1H;/q;;+2/p-2,DBJLJFTWODWSOF-UHFFFAOYSA-L,F2Ni,96.69,95.932148,,0,2,0,0,2,0,3,,,1,0,0,0,0,1,1,0,0,0,1,0,0,1,1,0,0,1,1,0
MOLYBDENUM NICKEL OXIDE (MONIO4),014177-55-0,84241,dioxido(dioxo)molybdenum;nickel(2+),[O-][Mo](=O)(=O)[O-].[Ni+2],InChI=1S/Mo.Ni.4O/q;+2;;;2*-1,NLPVCCRZRNXTLT-UHFFFAOYSA-N,MoNiO4,218.64,219.820404,,80.3,62,0,0,4,0,6,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,1,0
"2-BUTENE-1,4-DIOL, 2,3-DIBROMO-",003234-02-4,641240,"(E)-2,3-dibromobut-2-ene-1,4-diol",C(/C(=C(/CO)\Br)/Br)O,"InChI=1S/C4H6Br2O2/c5-3(1-7)4(6)2-8/h7-8H,1-2H2/b4-3+",MELXIJRBKWTTJH-ONEGZZNKSA-N,C4H6Br2O2,245.9,245.87141,0.1,40.5,88,0,2,2,2,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
TRANS-NEROLIDOL,040716-66-3,5284507,"(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol",CC(=CCC/C(=C/CCC(C)(C=C)O)/C)C,"InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+",FQTLCLSUCSAZDY-SDNWHVSQSA-N,C15H26O,222.37,222.1983654,4.6,20.2,269,0,1,1,7,16,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"ETHYL 3-(N,N-DIMETHYLAMINO)ACRYLATE",001117-37-9,5369162,ethyl (E)-3-(dimethylamino)prop-2-enoate,CCOC(=O)/C=C/N(C)C,"InChI=1S/C7H13NO2/c1-4-10-7(9)5-6-8(2)3/h5-6H,4H2,1-3H3/b6-5+",MVUMJYQUKKUOHO-AATRIKPKSA-N,C7H13NO2,143.18,143.0946287,0.8,29.5,130,0,0,3,4,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
BETAINE HYDROCHLORIDE,000590-46-5,11545,carboxymethyl(trimethyl)azanium chloride,C[N+](C)(C)CC(=O)O.[Cl-],"InChI=1S/C5H11NO2.ClH/c1-6(2,3)4-5(7)8;/h4H2,1-3H3;1H",HOPSCVCBEOCPJZ-UHFFFAOYSA-N,C5H12ClNO2,153.61,153.0556563,,37.3,93,0,1,3,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
CALCIUM DIBROMIDE,007789-41-5,5360316,calcium dibromide,[Ca+2].[Br-].[Br-],InChI=1S/2BrH.Ca/h2*1H;/q;;+2/p-2,WGEFECGEFUFIQW-UHFFFAOYSA-L,Br2Ca,199.89,199.79722,,0,0,0,0,2,0,3,,1815 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
TRIBUTYL CITRATE,000077-94-1,6507,"tributyl 2-hydroxypropane-1,2,3-tricarboxylate",CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)O,"InChI=1S/C18H32O7/c1-4-7-10-23-15(19)13-18(22,17(21)25-12-9-6-3)14-16(20)24-11-8-5-2/h22H,4-14H2,1-3H3",ZFOZVQLOBQUTQQ-UHFFFAOYSA-N,C18H32O7,360.4,360.2148034,2.7,99.1,382,0,1,7,17,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"CALCIUM PHOSPHATE, MONOBASIC",007758-23-8,24454,calcium bis(dihydrogen phosphate),OP(=O)(O)[O-].OP(=O)(O)[O-].[Ca+2],"InChI=1S/Ca.2H3O4P/c;2*1-5(2,3)4/h;2*(H3,1,2,3,4)/q+2;;/p-2",YYRMJZQKEFZXMX-UHFFFAOYSA-L,CaH4O8P2,234.05,233.9007319,,161,49,0,4,8,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
METHYL UNDECANOATE,001731-86-8,15607,methyl undecanoate,CCCCCCCCCCC(=O)OC,"InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-11H2,1-2H3",XPQPWPZFBULGKT-UHFFFAOYSA-N,C12H24O2,200.32,200.17763,5.2,26.3,132,0,0,2,10,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
METHYL TRICOSANOATE,002433-97-8,75519,methyl tricosanoate,CCCCCCCCCCCCCCCCCCCCCCC(=O)OC,"InChI=1S/C24H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-2/h3-23H2,1-2H3",VORKGRIRMPBCCZ-UHFFFAOYSA-N,C24H48O2,368.6,368.3654308,11.7,26.3,275,0,0,2,22,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
N-(PHOSPHONOMETHYL) GLYCINE,001071-83-6,3496,2-(phosphonomethylamino)acetic acid,C(C(=O)O)NCP(=O)(O)O,"InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)",XDDAORKBJWWYJS-UHFFFAOYSA-N,C3H8NO5P,169.07,169.0140094,-4.6,107,162,0,4,6,4,10,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
1-DODECYNE,000765-03-7,69821,dodec-1-yne,CCCCCCCCCCC#C,"InChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h1H,4-12H2,2H3",ZVDBUOGYYYNMQI-UHFFFAOYSA-N,C12H22,166.3,166.1721507,5.7,0,115,0,0,0,8,12,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"GLYCINE, N-METHYL-N-(1-OXOOCTADECYL)-",000142-48-3,67339,2-[methyl(octadecanoyl)amino]acetic acid,CCCCCCCCCCCCCCCCCC(=O)N(C)CC(=O)O,"InChI=1S/C21H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25/h3-19H2,1-2H3,(H,24,25)",RJYOKYDKKOFLBT-UHFFFAOYSA-N,C21H41NO3,355.6,355.3086442,7.7,57.6,331,0,1,3,18,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANOIC ACID, 2-HYDROXY-, PROPYL ESTER",000616-09-1,92821,propyl 2-hydroxypropanoate,CCCOC(=O)C(C)O,"InChI=1S/C6H12O3/c1-3-4-9-6(8)5(2)7/h5,7H,3-4H2,1-2H3",ILVGAIQLOCKNQA-UHFFFAOYSA-N,C6H12O3,132.16,132.0786442,0.8,46.5,90,0,1,3,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"2,4-HEXADIEN-1-OL, ACETATE",001516-17-2,5363491,"[(2E,4E)-hexa-2,4-dienyl] acetate",C/C=C/C=C/COC(=O)C,"InChI=1S/C8H12O2/c1-3-4-5-6-7-10-8(2)9/h3-6H,7H2,1-2H3/b4-3+,6-5+",PXVKYPFROMBALG-VNKDHWASSA-N,C8H12O2,140.18,140.0837296,1.6,26.3,145,0,0,2,4,10,,100.00 °C. @ 20.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"OCTADECANAMIDE, N-(2-HYDROXYETHYL)-N-[2-[(1-OXOOCTADECYL)AMINO]ETHYL]-",007709-17-3,82132,N-[2-[2-hydroxyethyl(octadecanoyl)amino]ethyl]octadecanamide,CCCCCCCCCCCCCCCCCC(=O)NCCN(CCO)C(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C40H80N2O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)41-35-36-42(37-38-43)40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h43H,3-38H2,1-2H3,(H,41,44)",BUXIQCHPJNBMRH-UHFFFAOYSA-N,C40H80N2O3,637.1,636.6168944,15.2,69.6,612,0,2,3,37,45,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
SILICON PHOSPHATE (SI3(PO4)4),012037-47-7,160971,tris(silicon(4+));tetraphosphate,[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Si+4].[Si+4].[Si+4],"InChI=1S/4H3O4P.3Si/c4*1-5(2,3)4;;;/h4*(H3,1,2,3,4);;;/q;;;;3*+4/p-12",XLUBVTJUEUUZMR-UHFFFAOYSA-B,O16P4Si3,464.14,463.7444615,,345,36,0,0,16,0,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"GLYCINE, N-(1-OXOOCTYL)-",014246-53-8,84290,2-(octanoylamino)acetic acid,CCCCCCCC(=O)NCC(=O)O,"InChI=1S/C10H19NO3/c1-2-3-4-5-6-7-9(12)11-8-10(13)14/h2-8H2,1H3,(H,11,12)(H,13,14)",SAVLIIGUQOSOEP-UHFFFAOYSA-N,C10H19NO3,201.26,201.1364935,2.1,66.4,180,0,2,3,8,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"PHOSPHORODITHIOIC ACID, ZINC SALT",019210-06-1,159863,trizinc bis(dioxido-sulfanylidene-sulfido-lambda5-phosphane),[O-]P(=S)([O-])[S-].[O-]P(=S)([O-])[S-].[Zn+2].[Zn+2].[Zn+2],"InChI=1S/2H3O2PS2.3Zn/c2*1-3(2,4)5;;;/h2*(H3,1,2,4,5);;;/q;;3*+2/p-6",WMYJOZQKDZZHAC-UHFFFAOYSA-H,O4P2S4Zn3,450.4,447.59978,,158,53,0,0,8,0,13,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"BUTANEDIOIC ACID, DODECENYL-",029658-97-7,166693,2-dodec-1-enylbutanedioic acid,CCCCCCCCCCC=CC(CC(=O)O)C(=O)O,"InChI=1S/C16H28O4/c1-2-3-4-5-6-7-8-9-10-11-12-14(16(19)20)13-15(17)18/h11-12,14H,2-10,13H2,1H3,(H,17,18)(H,19,20)",QDCPNGVVOWVKJG-UHFFFAOYSA-N,C16H28O4,284.39,284.1987594,5.1,74.6,297,0,2,4,13,20,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"UREA, [3-(DIMETHYLAMINO)PROPYL]-",031506-43-1,3084542,3-(dimethylamino)propylurea,CN(C)CCCNC(=O)N,"InChI=1S/C6H15N3O/c1-9(2)5-3-4-8-6(7)10/h3-5H2,1-2H3,(H3,7,8,10)",IIVBUJGYWCCLNG-UHFFFAOYSA-N,C6H15N3O,145.2,145.1215121,-0.6,58.4,103,0,2,2,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"POLY[OXY(METHYL-1,2-ETHANEDIYL)], .ALPHA.-PHOSPHONO-.OMEGA.-HYDROXY-",051024-29-4,151809,3-hydroxypropyl dihydrogen phosphate,C(CO)COP(=O)(O)O,"InChI=1S/C3H9O5P/c4-2-1-3-8-9(5,6)7/h4H,1-3H2,(H2,5,6,7)",HYCSHFLKPSMPGO-UHFFFAOYSA-N,C3H9O5P,156.07,156.0187604,-1.9,87,107,0,3,5,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"PHOSPHORIC ACID, MONOISOOCTYL ESTER, COMPD. WITH 2-ETHYL-1-HEXANAMINE (1:2)",061188-13-4,173785,2-ethylhexan-1-amine;6-methylheptyl dihydrogen phosphate,CCCCC(CC)CN.CC(C)CCCCCOP(=O)(O)O,"InChI=1S/C8H19N.C8H19O4P/c1-3-5-6-8(4-2)7-9;1-8(2)6-4-3-5-7-12-13(9,10)11/h8H,3-7,9H2,1-2H3;8H,3-7H2,1-2H3,(H2,9,10,11)",YUYZJJUIOVICNT-UHFFFAOYSA-N,C16H38NO4P,339.45,339.2538457,,92.8,216,0,3,5,12,22,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"PHOSPHORIC ACID, DIISOOCTYL ESTER, COMPD. WITH 2-ETHYL-1-HEXANAMINE(1:1)",061188-14-5,103473,bis(6-methylheptyl) hydrogen phosphate;2-ethylhexan-1-amine,CCCCC(CC)CN.CC(C)CCCCCOP(=O)(O)OCCCCCC(C)C,"InChI=1S/C16H35O4P.C8H19N/c1-15(2)11-7-5-9-13-19-21(17,18)20-14-10-6-8-12-16(3)4;1-3-5-6-8(4-2)7-9/h15-16H,5-14H2,1-4H3,(H,17,18);8H,3-7,9H2,1-2H3",MJRDRRWIAQOYMP-UHFFFAOYSA-N,C24H54NO4P,451.7,451.3790462,,81.8,308,0,2,5,19,30,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-PROPANAMINIUM, N-(CARBOXYMETHYL)-N,N-DIMETHYL-3-[(1-OXOOCTYL)AMINO]-, INNER",073772-46-0,173219,2-[dimethyl-[3-(octanoylamino)propyl]azaniumyl]acetate,CCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)[O-],"InChI=1S/C15H30N2O3/c1-4-5-6-7-8-10-14(18)16-11-9-12-17(2,3)13-15(19)20/h4-13H2,1-3H3,(H-,16,18,19,20)",SUZKAIPUWCLPCH-UHFFFAOYSA-N,C15H30N2O3,286.41,286.2256428,3.2,69.2,285,0,1,3,11,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BUTANEDIOIC ACID, DODECENYL-, MONO(2-METHYLPROPYL) ESTER",141847-13-4,6436451,(E)-2-[2-(2-methylpropoxy)-2-oxoethyl]tetradec-8-enoic acid,CCCCC/C=C/CCCCCC(CC(=O)OCC(C)C)C(=O)O,"InChI=1S/C20H36O4/c1-4-5-6-7-8-9-10-11-12-13-14-18(20(22)23)15-19(21)24-16-17(2)3/h8-9,17-18H,4-7,10-16H2,1-3H3,(H,22,23)/b9-8+",CTQNIJLFRBJWKZ-CMDGGOBGSA-N,C20H36O4,340.5,340.2613596,6.3,63.6,361,0,1,4,16,24,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
METHYLVINYL BIS(N-METHYLACETAMIDO)SILANE 50791-87-2,050791-87-2,162093,N-[[acetyl(methyl)amino]-ethenyl-methylsilyl]-N-methylacetamide,CC(=O)N(C)[Si](C)(C=C)N(C)C(=O)C,"InChI=1S/C9H18N2O2Si/c1-7-14(6,10(4)8(2)12)11(5)9(3)13/h7H,1H2,2-6H3",WWOJHRGOXHGXEX-UHFFFAOYSA-N,C9H18N2O2Si,214.34,214.1137544,,40.6,246,0,0,2,3,14,,,0,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0
ZINC BIS((O-(2-ETHYLHEXYL))BIS(O-(ISOBUTYL))BIS(DITHIOPHOSPHATE),026566-95-0,3084458,[(2R)-2-ethylhexoxy]-(2-methylpropoxy)-sulfanyl-sulfanylidene-lambda5-phosphane,CCCC[C@@H](CC)COP(=S)(OCC(C)C)S,"InChI=1S/C12H27O2PS2/c1-5-7-8-12(6-2)10-14-15(16,17)13-9-11(3)4/h11-12H,5-10H2,1-4H3,(H,16,17)/t12-/m1/s1",MMNHBJSAJAQAQT-GFCCVEGCSA-N,C12H27O2PS2,298.5,298.1190094,6.1,51.6,235,0,1,4,10,17,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"ACETIC ACID, HYDROXY-, BUTYL ESTER",007397-62-8,81882,butyl 2-hydroxyacetate,CCCCOC(=O)CO,"InChI=1S/C6H12O3/c1-2-3-4-9-6(8)5-7/h7H,2-5H2,1H3",VFGRALUHHHDIQI-UHFFFAOYSA-N,C6H12O3,132.16,132.0786442,0.7,46.5,80,0,1,3,5,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
SODIUM BISULFATE,007681-38-1,516919,sodium hydrogen sulfate,OS(=O)(=O)[O-].[Na+],"InChI=1S/Na.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+1;/p-1",WBHQBSYUUJJSRZ-UHFFFAOYSA-M,HNaO4S,120.06,119.949324,,85.8,93,0,1,4,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
TRIETHYLENE GLYCOL MONOBUTYL ETHER,000143-22-6,8923,2-[2-(2-butoxyethoxy)ethoxy]ethanol,CCCCOCCOCCOCCO,"InChI=1S/C10H22O4/c1-2-3-5-12-7-9-14-10-8-13-6-4-11/h11H,2-10H2,1H3",COBPKKZHLDDMTB-UHFFFAOYSA-N,C10H22O4,206.28,206.1518092,0.4,47.9,98,0,1,4,11,14,290 °F (143 °C) (CLOSED CUP),278 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
POTASSIUM ALUMINUM FLUORIDE,060304-36-1,21889320,aluminum;potassium;tetrafluoride,[F-].[F-].[F-].[F-].[Al+3].[K+],InChI=1S/Al.4FH.K/h;4*1H;/q+3;;;;;+1/p-4,SKFYTVYMYJCRET-UHFFFAOYSA-J,AlF4K,142.0735,141.9388575,,0,0,0,0,4,0,6,,,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0
SILICIC ACID,007699-41-4,14768,dihydroxy(oxo)silane,O[Si](=O)O,InChI=1S/H2O3Si/c1-4(2)3/h1-2H,IJKVHSBPTUYDLN-UHFFFAOYSA-N,H2O3Si,78.099,77.97732046,,57.5,26,0,2,3,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
1-HEXADECANOL,036653-82-4,2682,hexadecan-1-ol,CCCCCCCCCCCCCCCCO,"InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3",BXWNKGSJHAJOGX-UHFFFAOYSA-N,C16H34O,242.44,242.2609657,7.3,20.2,123,0,1,1,14,17,175 °C,334 °C at 760 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
OCTANEDIOIC ACID,000505-48-6,10457,octanedioic acid,C(CCCC(=O)O)CCC(=O)O,"InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)",TYFQFVWCELRYAO-UHFFFAOYSA-N,C8H14O4,174.19,174.0892089,1,74.6,135,0,2,4,7,12,,345.50 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
GLYCYLGLYCINE,000556-50-3,11163,2-[(2-aminoacetyl)amino]acetic acid,C(C(=O)NCC(=O)O)N,"InChI=1S/C4H8N2O3/c5-1-3(7)6-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)",YMAWOPBAYDPSLA-UHFFFAOYSA-N,C4H8N2O3,132.12,132.0534921,-2.9,92.4,123,0,3,4,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
TRIETHANOLAMINE HYDROCHLORIDE,000637-39-8,101814,2-[bis(2-hydroxyethyl)amino]ethanol;hydrochloride,C(CO)N(CCO)CCO.Cl,"InChI=1S/C6H15NO3.ClH/c8-4-1-7(2-5-9)3-6-10;/h8-10H,1-6H2;1H",HHLJUSLZGFYWKW-UHFFFAOYSA-N,C6H16ClNO3,185.65,185.0818711,,63.9,55,0,4,4,6,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
DIETHYL BUTYLMALONATE,000133-08-4,67244,diethyl 2-butylpropanedioate,CCCCC(C(=O)OCC)C(=O)OCC,"InChI=1S/C11H20O4/c1-4-7-8-9(10(12)14-5-2)11(13)15-6-3/h9H,4-8H2,1-3H3",RPNFNBGRHCUORR-UHFFFAOYSA-N,C11H20O4,216.27,216.1361591,2.9,52.6,183,0,0,4,9,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
1-HEXADECANETHIOL,002917-26-2,18015,hexadecane-1-thiol,CCCCCCCCCCCCCCCCS,"InChI=1S/C16H34S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3",ORTRWBYBJVGVQC-UHFFFAOYSA-N,C16H34S,258.5,258.2381223,8.3,1,123,0,1,1,14,17,"215 °F (NIOSH, 2024)",,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
METHYL-12-HYDROXYSTEARATE,000141-23-1,8840,methyl 12-hydroxyoctadecanoate,CCCCCCC(CCCCCCCCCCC(=O)OC)O,"InChI=1S/C19H38O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h18,20H,3-17H2,1-2H3",RVWOWEQKPMPWMQ-UHFFFAOYSA-N,C19H38O3,314.5,314.2820951,6.6,46.5,241,0,1,3,17,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
IGEPON AP,000142-15-4,23665570,sodium 2-[(Z)-octadec-9-enoyl]oxyethanesulfonate,CCCCCCCC/C=C\CCCCCCCC(=O)OCCS(=O)(=O)[O-].[Na+],"InChI=1S/C20H38O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)25-18-19-26(22,23)24;/h9-10H,2-8,11-19H2,1H3,(H,22,23,24);/q;+1/p-1/b10-9-;",MCFLGJDKSROECH-KVVVOXFISA-M,C20H37NaO5S,412.6,412.2259397,,91.9,457,0,0,5,19,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
LAURYL LACTATE,006283-92-7,22692,dodecyl 2-hydroxypropanoate,CCCCCCCCCCCCOC(=O)C(C)O,"InChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-13-18-15(17)14(2)16/h14,16H,3-13H2,1-2H3",QQQMUBLXDAFBRH-UHFFFAOYSA-N,C15H30O3,258.4,258.2194948,5.4,46.5,192,0,1,3,13,18,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
SODIUM PALMITATE,000408-35-5,2735111,sodium hexadecanoate,CCCCCCCCCCCCCCCC(=O)[O-].[Na+],"InChI=1S/C16H32O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2-15H2,1H3,(H,17,18);/q;+1/p-1",GGXKEBACDBNFAF-UHFFFAOYSA-M,C16H31NaO2,278.41,278.2221745,,40.1,184,0,0,2,14,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
POTASSIUM LINOLEATE,003414-89-9,23684895,"potassium (9Z,12Z)-octadeca-9,12-dienoate",CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-].[K+],"InChI=1S/C18H32O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/q;+1/p-1/b7-6-,10-9-;",BAYJYBALPIYBQQ-NBTZWHCOSA-M,C18H31KO2,318.5,318.1961117,,40.1,272,0,0,2,14,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
CALCIUM CITRATE TETRAHYDRATE,005785-44-4,5282392,"tricalcium;bis(2-hydroxypropane-1,2,3-tricarboxylate);tetrahydrate",C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.O.O.[Ca+2].[Ca+2].[Ca+2],"InChI=1S/2C6H8O7.3Ca.4H2O/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;4*1H2/q;;3*+2;;;;/p-6",LNIZKKFWMDARJV-UHFFFAOYSA-H,C12H18Ca3O18,570.5,569.9370863,,285,211,0,6,18,4,33,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
DI-SODIUM HYDROGEN PHOSPHATE DIHYDRATE,010028-24-7,6451167,disodium;hydrogen phosphate;dihydrate,O.O.OP(=O)([O-])[O-].[Na+].[Na+],"InChI=1S/2Na.H3O4P.2H2O/c;;1-5(2,3)4;;/h;;(H3,1,2,3,4);2*1H2/q2*+1;;;/p-2",KDQPSPMLNJTZAL-UHFFFAOYSA-L,H5Na2O6P,177.99,177.9619134,,85.4,46,0,3,6,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
ALUMINUM SULFATE HEXADECAHYDRATE,016828-11-8,6336629,,O.O.O.O.O.O.O.O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.[Al].[Al],"InChI=1S/2Al.3H2O4S.8H2O/c;;3*1-5(2,3)4;;;;;;;;/h;;3*(H2,1,2,3,4);8*1H2",JANHUGNIVASISO-UHFFFAOYSA-N,Al2H22O20S3,492.3,491.949733,,257,81,0,14,20,0,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
GLYCERYL ALLYL ETHER,000123-34-2,78950,"3-prop-2-enoxypropane-1,2-diol",C=CCOCC(CO)O,"InChI=1S/C6H12O3/c1-2-3-9-5-6(8)4-7/h2,6-8H,1,3-5H2",PAKCOSURAUIXFG-UHFFFAOYSA-N,C6H12O3,132.16,132.0786442,-0.6,49.7,72,0,2,3,5,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
POTASSIUM FORMATE,000590-29-4,2735122,potassium formate,C(=O)[O-].[K+],"InChI=1S/CH2O2.K/c2-1-3;/h1H,(H,2,3);/q;+1/p-1",WFIZEGIEIOHZCP-UHFFFAOYSA-M,CHKO2,84.116,83.96136076,,40.1,13,0,0,2,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
4-NONANONE,004485-09-0,78236,nonan-4-one,CCCCCC(=O)CCC,"InChI=1S/C9H18O/c1-3-5-6-8-9(10)7-4-2/h3-8H2,1-2H3",TYBCSQFBSWACAA-UHFFFAOYSA-N,C9H18O,142.24,142.1357652,2.8,17.1,86,0,0,1,6,10,,188.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
SCANDIUM(3+) CHLORIDE,010361-84-9,82586,trichloroscandium,Cl[Sc](Cl)Cl,InChI=1S/3ClH.Sc/h3*1H;/q;;;+3/p-3,DVMZCYSFPFUKKE-UHFFFAOYSA-K,Cl3Sc,151.31,149.862465,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
PRASEODYMIUM TRIBROMIDE,225505-12-4,57375942,praseodymium(3+);tribromide;hydrate,O.[Br-].[Br-].[Br-].[Pr+3],InChI=1S/3BrH.H2O.Pr/h3*1H;1H2;/q;;;;+3/p-3,CCMZJPMVOCFMPN-UHFFFAOYSA-K,Br3H2OPr,398.64,397.67119,,1,0,0,1,4,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
ADIPAMIC ACID,000334-25-8,567659,6-amino-6-oxohexanoic acid,C(CCC(=O)O)CC(=O)N,"InChI=1S/C6H11NO3/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H2,7,8)(H,9,10)",NOIZJQMZRULFFO-UHFFFAOYSA-N,C6H11NO3,145.16,145.0738932,-0.6,80.4,133,0,2,3,5,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"P,P-BIS(2,4,4-TRIMETHYLPENTYL)PHOSPHINIC ACID",083411-71-6,157898,"bis(2,4,4-trimethylpentyl)phosphinic acid",CC(CC(C)(C)C)CP(=O)(CC(C)CC(C)(C)C)O,"InChI=1S/C16H35O2P/c1-13(9-15(3,4)5)11-19(17,18)12-14(2)10-16(6,7)8/h13-14H,9-12H2,1-8H3,(H,17,18)",QUXFOKCUIZCKGS-UHFFFAOYSA-N,C16H35O2P,290.42,290.2374674,4.6,37.3,282,0,1,2,8,19,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
DIETHYL MALONATE-D2,004303-49-5,12197541,"diethyl 2,2-dideuteriopropanedioate",[2H]C([2H])(C(=O)OCC)C(=O)OCC,"InChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3/i5D2",IYXGSMUGOJNHAZ-BFWBPSQCSA-N,C7H12O4,162.18,162.0861124,1,52.6,125,0,0,4,6,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
SODIUM CARBONATE-13C,093673-48-4,12120970,disodium;oxo(113C)methanediolate,[13C](=O)([O-])[O-].[Na+].[Na+],"InChI=1S/CH2O3.2Na/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2/i1+1;;",CDBYLPFSWZWCQE-GOCMCNPZSA-L,CNa2O3,106.981,106.9676373,,63.2,18,0,0,3,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"SILICIC ACID (H4SIO4), TETRAKIS(2-ETHYLHEXYL) ESTER",000115-82-2,221494,tetrakis(2-ethylhexyl) silicate,CCCCC(CC)CO[Si](OCC(CC)CCCC)(OCC(CC)CCCC)OCC(CC)CCCC,"InChI=1S/C32H68O4Si/c1-9-17-21-29(13-5)25-33-37(34-26-30(14-6)22-18-10-2,35-27-31(15-7)23-19-11-3)36-28-32(16-8)24-20-12-4/h29-32H,9-28H2,1-8H3",MQHSFMJHURNQIE-UHFFFAOYSA-N,C32H68O4Si,545,544.4886872,,36.9,390,0,0,4,28,37,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANESULFONIC ACID, 2-[METHYL(1-OXOOCTADECYL)AMINO]-, SODIUM SALT",000149-39-3,23667652,sodium 2-[methyl(octadecanoyl)amino]ethanesulfonate,CCCCCCCCCCCCCCCCCC(=O)N(C)CCS(=O)(=O)[O-].[Na+],"InChI=1S/C21H43NO4S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)22(2)19-20-27(24,25)26;/h3-20H2,1-2H3,(H,24,25,26);/q;+1/p-1",UKSFMDODPANKJI-UHFFFAOYSA-M,C21H42NNaO4S,427.6,427.2732243,,85.9,452,0,0,4,19,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BORIC ACID (H3BO3), TRIPENTYL ESTER",000621-78-3,12134,tripentyl borate,B(OCCCCC)(OCCCCC)OCCCCC,"InChI=1S/C15H33BO3/c1-4-7-10-13-17-16(18-14-11-8-5-2)19-15-12-9-6-3/h4-15H2,1-3H3",JLPJTCGUKOBWRJ-UHFFFAOYSA-N,C15H33BO3,272.2,272.2522751,,27.7,139,0,0,3,15,19,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
MAGNESIUM IRON SILICATE,001317-71-1,71586774,octamagnesium;bis(iron(2+));pentasilicate,[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Fe+2].[Fe+2],"InChI=1S/2Fe.8Mg.5O4Si/c;;;;;;;;;;5*1-5(2,3)4/q10*+2;5*-4",FOKWMWSOTUZOPN-UHFFFAOYSA-N,Fe2Mg8O20Si5,766.55,765.530681,,461,19,0,0,20,0,35,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"TETRADECANOIC ACID, DODECYL ESTER",002040-64-4,74881,dodecyl tetradecanoate,CCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC,"InChI=1S/C26H52O2/c1-3-5-7-9-11-13-15-16-18-20-22-24-26(27)28-25-23-21-19-17-14-12-10-8-6-4-2/h3-25H2,1-2H3",DFQOCHPHORLRID-UHFFFAOYSA-N,C26H52O2,396.7,396.3967309,11.9,26.3,301,0,0,2,24,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"[NITRILOTRIS(METHYLENE)]TRISPHOSPHONIC ACID, PENTASODIUM SALT",002235-43-0,16697,pentasodium;[bis(phosphonatomethyl)amino]methyl-hydroxyphosphinate,C(N(CP(=O)([O-])[O-])CP(=O)([O-])[O-])P(=O)(O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+],"InChI=1S/C3H12NO9P3.5Na/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;;;;;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);;;;;/q;5*+1/p-5",OSBMVGFXROCQIZ-UHFFFAOYSA-I,C3H7NNa5O9P3,408.96,408.8822132,,190,313,0,1,10,4,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
1-UNDECYNE,002243-98-3,75249,undec-1-yne,CCCCCCCCCC#C,"InChI=1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h1H,4-11H2,2H3",YVSFLVNWJIEJRV-UHFFFAOYSA-N,C11H20,152.28,152.1565006,5.1,0,104,0,0,0,7,11,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"ACETIC ACID, MERCAPTO-, NONYL ESTER",003746-40-5,23882,nonyl 2-sulfanylacetate,CCCCCCCCCOC(=O)CS,"InChI=1S/C11H22O2S/c1-2-3-4-5-6-7-8-9-13-11(12)10-14/h14H,2-10H2,1H3",YRIQTCODFIJDKE-UHFFFAOYSA-N,C11H22O2S,218.36,218.1340511,4.3,27.3,137,0,1,3,10,14,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANESULFONIC ACID, 2-[METHYL(1-OXODODECYL)AMINO]-, SODIUM SALT",004337-75-1,23700085,sodium 2-[dodecanoyl(methyl)amino]ethanesulfonate,CCCCCCCCCCCC(=O)N(C)CCS(=O)(=O)[O-].[Na+],"InChI=1S/C15H31NO4S.Na/c1-3-4-5-6-7-8-9-10-11-12-15(17)16(2)13-14-21(18,19)20;/h3-14H2,1-2H3,(H,18,19,20);/q;+1/p-1",CAVXVRQDZKMZDB-UHFFFAOYSA-M,C15H30NNaO4S,343.5,343.1793239,,85.9,368,0,0,4,13,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANOIC ACID, 3-MERCAPTO-, DODECYL ESTER",006380-71-8,80796,dodecyl 3-sulfanylpropanoate,CCCCCCCCCCCCOC(=O)CCS,"InChI=1S/C15H30O2S/c1-2-3-4-5-6-7-8-9-10-11-13-17-15(16)12-14-18/h18H,2-14H2,1H3",ARNIBHATWCFIIK-UHFFFAOYSA-N,C15H30O2S,274.5,274.1966514,5.8,27.3,183,0,1,3,14,18,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
2-(2-PROPOXYETHOXY)ETHANOL,006881-94-3,81313,2-(2-propoxyethoxy)ethanol,CCCOCCOCCO,"InChI=1S/C7H16O3/c1-2-4-9-6-7-10-5-3-8/h8H,2-7H2,1H3",DJCYDDALXPHSHR-UHFFFAOYSA-N,C7H16O3,148.2,148.1099444,0.2,38.7,56,0,1,3,7,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"SULFUROUS ACID, MONOPOTASSIUM SALT",007773-03-7,23663620,potassium hydrogen sulfite,OS(=O)[O-].[K+],"InChI=1S/K.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-1",DJEHXEMURTVAOE-UHFFFAOYSA-M,HKO3S,120.17,119.9283466,,79.6,33,0,1,4,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"3-NONEN-1-OL, (Z)-",010340-23-5,5364631,(Z)-non-3-en-1-ol,CCCCC/C=C\CCO,"InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h6-7,10H,2-5,8-9H2,1H3/b7-6-",IFTBJDZSLBRRMC-SREVYHEPSA-N,C9H18O,142.24,142.1357652,2.9,20.2,76,0,1,1,6,10,,107.00 to 109.00 °C. @ 20.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
3-NONEN-2-ONE,014309-57-0,5317045,(E)-non-3-en-2-one,CCCCC/C=C/C(=O)C,"InChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h7-8H,3-6H2,1-2H3/b8-7+",HDKLIZDXVUCLHQ-BQYQJAHWSA-N,C9H16O,140.22,140.1201151,2.8,17.1,114,0,0,1,5,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"PHOSPHONIC ACID, DIAMMONIUM SALT",022132-71-4,17888506,diazanium;dioxido(oxo)phosphanium,[NH4+].[NH4+].[O-][P+](=O)[O-],"InChI=1S/2H3N.HO3P/c;;1-4(2)3/h2*1H3;(H,1,2,3)/p+1",DNUFCIOKWJELSH-UHFFFAOYSA-O,H8N2O3P+,115.05,115.0272541,,65.2,18,1,2,3,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANAMINIUM, N,N-BIS(2-HYDROXYETHYL)-N-METHYL-2-[(1-OXOOCTADECYL)OXY]-, METHY",028706-44-7,21119925,bis(2-hydroxyethyl)-methyl-(2-octadecanoyloxyethyl)azanium;methyl sulfate,CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(CCO)CCO.COS(=O)(=O)[O-],"InChI=1S/C25H52NO4.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(29)30-24-21-26(2,19-22-27)20-23-28;1-5-6(2,3)4/h27-28H,3-24H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1",JTDPANUOJONAEX-UHFFFAOYSA-M,C26H55NO8S,541.8,541.3648389,,142,461,0,2,8,24,36,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ALPHA-HYDRO-OMEGA-((1-OXO-2-PROPEN-1-YL)OXY)POLY(OXY-1,2-ETHANEDIYL) ETHER WITH 2-ETHYL-2-(HYDROXYMETHYL)-1,3-PROPANEDIOL",028961-43-5,115157,"2-[2,2-bis(2-prop-2-enoyloxyethoxymethyl)butoxy]ethyl prop-2-enoate",CCC(COCCOC(=O)C=C)(COCCOC(=O)C=C)COCCOC(=O)C=C,"InChI=1S/C21H32O9/c1-5-18(22)28-12-9-25-15-21(8-4,16-26-10-13-29-19(23)6-2)17-27-11-14-30-20(24)7-3/h5-7H,1-3,8-17H2,4H3",MTPIZGPBYCHTGQ-UHFFFAOYSA-N,C21H32O9,428.5,428.2046326,2.2,107,483,0,0,9,22,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-TRITRIACONTAFLUOROOCTADECANOL",065104-67-8,103202,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-tritriacontafluorooctadecan-1-ol",C(CO)C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C18H5F33O/c19-3(20,1-2-52)4(21,22)5(23,24)6(25,26)7(27,28)8(29,30)9(31,32)10(33,34)11(35,36)12(37,38)13(39,40)14(41,42)15(43,44)16(45,46)17(47,48)18(49,50)51/h52H,1-2H2",UYSGWTCETIRUHO-UHFFFAOYSA-N,C18H5F33O,864.2,863.9813441,11.1,20.2,1280,0,1,34,16,52,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"GLYCINE, N-(2-HYDROXYETHYL)-N-[2-[(1-OXODODECYL)AMINO]ETHYL]-, MONOSODIUM SALT",066161-62-4,23677336,sodium 2-[2-(dodecanoylamino)ethyl-(2-hydroxyethyl)amino]acetate,CCCCCCCCCCCC(=O)NCCN(CCO)CC(=O)[O-].[Na+],"InChI=1S/C18H36N2O4.Na/c1-2-3-4-5-6-7-8-9-10-11-17(22)19-12-13-20(14-15-21)16-18(23)24;/h21H,2-16H2,1H3,(H,19,22)(H,23,24);/q;+1/p-1",HVFAVOFILADWEZ-UHFFFAOYSA-M,C18H35N2NaO4,366.5,366.2494519,,92.7,330,0,2,5,17,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"PHOSPHONIC ACID, [[(PHOSPHONOMETHYL)IMINO]BIS[2,1-ETHANEDIYLNITRILOBIS(METHYLE",068155-78-2,15361742,heptasodium;[bis[2-[[hydroxy(oxido)phosphoryl]methyl-(phosphonatomethyl)amino]ethyl]amino]methyl-hydroxyphosphinate,C(CN(CP(=O)(O)[O-])CP(=O)([O-])[O-])N(CCN(CP(=O)(O)[O-])CP(=O)([O-])[O-])CP(=O)(O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+],"InChI=1S/C9H28N3O15P5.7Na/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27;;;;;;;/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27);;;;;;;/q;7*+1/p-7",OIPXXWBYRWQVLJ-UHFFFAOYSA-G,C9H21N3Na7O15P5,727.07,726.8944619,,317,739,0,3,18,14,39,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-PROPANAMINIUM, N-ETHYL-N,N-DIMETHYL-3-[(1-OXODOCOSYL)AMINO]-, ETHYL SULFATE",068797-65-9,111606,3-(docosanoylamino)propyl-ethyl-dimethylazanium;ethyl sulfate,CCCCCCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC.CCOS(=O)(=O)[O-],"InChI=1S/C29H60N2O.C2H6O4S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-29(32)30-27-25-28-31(3,4)6-2;1-2-6-7(3,4)5/h5-28H2,1-4H3;2H2,1H3,(H,3,4,5)",TWZQMJMHQQZDPA-UHFFFAOYSA-N,C31H66N2O5S,578.9,578.4692444,,104,498,0,1,5,26,39,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANESULFONIC ACID, 2-[(2-ETHYLHEXYL)[[(2-ETHYLHEXYL)OXY]CARBONYL]AMINO]-, SO",072845-89-7,23673691,sodium 2-[2-ethylhexoxycarbonyl(2-ethylhexyl)amino]ethanesulfonate,CCCCC(CC)CN(CCS(=O)(=O)[O-])C(=O)OCC(CC)CCCC.[Na+],"InChI=1S/C19H39NO5S.Na/c1-5-9-11-17(7-3)15-20(13-14-26(22,23)24)19(21)25-16-18(8-4)12-10-6-2;/h17-18H,5-16H2,1-4H3,(H,22,23,24);/q;+1/p-1",JBBYIYGBKJORCG-UHFFFAOYSA-M,C19H38NNaO5S,415.6,415.2368388,,95.1,467,0,0,5,16,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
ZINC BORATE,001332-07-6,167155,trizinc diborate,B([O-])([O-])[O-].B([O-])([O-])[O-].[Zn+2].[Zn+2].[Zn+2],InChI=1S/2BO3.3Zn/c2*2-1(3)4;;;/q2*-3;3*+2,BIKXLKXABVUSMH-UHFFFAOYSA-N,B2O6Zn3,313.8,311.77242,,138,8,0,0,6,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"POTASSIUM 3,3,4,4,5,5,6,6,7,7,8,8,8-TRIDECAFLUOROOCTANESULPHONATE",059587-38-1,23696809,"potassium 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonate",C(CS(=O)(=O)[O-])C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.[K+],"InChI=1S/C8H5F13O3S.K/c9-3(10,1-2-25(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21;/h1-2H2,(H,22,23,24);/q;+1/p-1",DFQKESLULXNZLL-UHFFFAOYSA-M,C8H4F13KO3S,466.26,465.9310628,,65.6,591,0,0,16,7,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
DIACETONE ALCOHOL,000123-42-2,31256,4-hydroxy-4-methylpentan-2-one,CC(=O)CC(C)(C)O,"InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3",SWXVUIWOUIDPGS-UHFFFAOYSA-N,C6H12O2,116.16,116.0837296,-0.2,37.3,94,0,1,2,2,8,"125 °F (USCG, 1999)","328 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
ETHYL MALONATE,000105-53-3,7761,diethyl propanedioate,CCOC(=O)CC(=O)OCC,"InChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3",IYXGSMUGOJNHAZ-UHFFFAOYSA-N,C7H12O4,160.17,160.0735589,1,52.6,125,0,0,4,6,11,200 °F (93 °C) (open cup),200 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
METHYL ACETOACETATE,000105-45-3,7757,methyl 3-oxobutanoate,CC(=O)CC(=O)OC,"InChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3",WRQNANDWMGAFTP-UHFFFAOYSA-N,C5H8O3,116.11,116.0473441,0,43.4,106,0,0,3,3,8,"158 °F (USCG, 1999)","336 to 338 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
DIETHYLENE GLYCOL MONOBUTYL ETHER,000112-34-5,8177,2-(2-butoxyethoxy)ethanol,CCCCOCCOCCO,"InChI=1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3",OAYXUHPQHDHDDZ-UHFFFAOYSA-N,C8H18O3,162.23,162.1255944,0.6,38.7,66,0,1,3,8,11,"172 °F (NTP, 1992)","448 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
MYRISTIC ACID,000544-63-8,11005,tetradecanoic acid,CCCCCCCCCCCCCC(=O)O,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",TUNFSRHWOTWDNC-UHFFFAOYSA-N,C14H28O2,228.37,228.2089301,5.3,37.3,155,0,1,2,12,16,"greater than 235 °F (NTP, 1992)","482.9 °F at 100 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"PHOSPHONIC ACID, (1-HYDROXYETHYLIDENE)BIS-, COMPD. WITH 2-AMINOETHANOL",042220-47-3,162503,2-aminoethanol;(1-hydroxy-1-phosphonoethyl)phosphonic acid,CC(O)(P(=O)(O)O)P(=O)(O)O.C(CO)N,"InChI=1S/C2H7NO.C2H8O7P2/c3-1-2-4;1-2(3,10(4,5)6)11(7,8)9/h4H,1-3H2;3H,1H3,(H2,4,5,6)(H2,7,8,9)",QJXDOXIQIDGSIM-UHFFFAOYSA-N,C4H15NO8P2,267.11,267.0272904,,182,221,0,7,9,3,15,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0
AMMONIUM BROMIDE,012124-97-9,25514,azanium bromide,[NH4+].[Br-],InChI=1S/BrH.H3N/h1H;1H3,SWLVFNYSXGMGBS-UHFFFAOYSA-N,BrH4N,97.94,96.95271,,1,0,0,1,1,0,2,,"Sublimes 1007 °F (USCG, 1999)",0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,1,1
MICA,012001-26-2,131842327,hexaaluminum;dipotassium;hexakis(dioxosilane);nonakis(oxygen(2-));difluoride;hydrate,O.[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.[F-].[F-].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[K+].[K+],InChI=1S/6Al.2FH.2K.6O2Si.H2O.9O/c;;;;;;;;;;6*1-3-2;;;;;;;;;;/h;;;;;;2*1H;;;;;;;;;1H2;;;;;;;;;/q6*+3;;;2*+1;;;;;;;;9*-2/p-2,QYFRTHZXAGSYGT-UHFFFAOYSA-L,Al6F2H2K2O22Si6,800.6,799.578781,,215,18,0,1,24,0,38,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1
"2,2,4-TRIMETHYL-1,3-PENTANEDIOL MONOISOBUTYRATE",025265-77-4,6490,"(3-hydroxy-2,2,4-trimethylpentyl) 2-methylpropanoate",CC(C)C(C(C)(C)COC(=O)C(C)C)O,"InChI=1S/C12H24O3/c1-8(2)10(13)12(5,6)7-15-11(14)9(3)4/h8-10,13H,7H2,1-6H3",DAFHKNAQFPVRKR-UHFFFAOYSA-N,C12H24O3,216.32,216.1725446,3.1,46.5,207,0,1,3,6,15,"248 °F (USCG, 1999)","471 °F at 760 mmHg (USCG, 1999)",1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
PERFLUOROISOBUTYLENE,000382-21-8,61109,"1,1,3,3,3-pentafluoro-2-(trifluoromethyl)prop-1-ene",C(=C(F)F)(C(F)(F)F)C(F)(F)F,"InChI=1S/C4F8/c5-2(6)1(3(7,8)9)4(10,11)12",DAFIBNSJXIGBQB-UHFFFAOYSA-N,C4F8,200.03,199.9872253,3.2,0,172,0,0,8,0,12,,7 °C,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
CADMIUM OXIDE,001306-19-0,10197697,cadmium(2+);oxygen(2-),[O-2].[Cd+2],InChI=1S/Cd.O/q+2;-2,CFEAAQFZALKQPA-UHFFFAOYSA-N,CdO,128.41,129.89828,,1,0,0,0,1,0,2,,"2838 °F at 760 mmHg (sublimes) (NTP, 1992)",1,0,1,0,0,1,1,0,0,0,1,0,0,1,0,0,0,0,1,0
CRYOLITE,015096-52-3,16693908,trisodium;hexafluoroaluminum(3-),F[Al-3](F)(F)(F)(F)F.[Na+].[Na+].[Na+],InChI=1S/Al.6FH.3Na/h;6*1H;;;/q+3;;;;;;;3*+1/p-6,REHXRBDMVPYGJX-UHFFFAOYSA-H,AlF6Na3,209.941265,209.9412652,,0,62,0,0,7,0,10,,"Decomposes (NIOSH, 2024)",0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
BUTYLATE,002008-41-5,16181,"S-ethyl N,N-bis(2-methylpropyl)carbamothioate",CCSC(=O)N(CC(C)C)CC(C)C,"InChI=1S/C11H23NOS/c1-6-14-11(13)12(7-9(2)3)8-10(4)5/h9-10H,6-8H2,1-5H3",BMTAFVWTTFSTOG-UHFFFAOYSA-N,C11H23NOS,217.37,217.1500355,4.2,45.6,159,0,0,2,6,14,240 °F (116 °C) - closed cup,137.5-138 °C at 21 mm Hg,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
CHROMIUM COPPER OXIDE (CR2CUO4),012018-10-9,76971673,copper;bis(chromium(3+));tetrakis(oxygen(2-)),[O-2].[O-2].[O-2].[O-2].[Cr+3].[Cr+3].[Cu+2],InChI=1S/2Cr.Cu.4O/q2*+3;+2;4*-2,CFQJFBMLIAGCOU-UHFFFAOYSA-N,Cr2CuO4,231.54,230.790265,,4,0,0,0,4,0,7,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BETA-GLUCANASE ENZYME,009074-98-0,168010017,terbium,[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb],InChI=1S/98Tb,XVHVKHSSRLTQHH-UHFFFAOYSA-N,Tb98,15574.685,15574.685,,0,0,0,0,0,0,98,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
"SULFUROUS ACID, DILITHIUM SALT",013453-87-7,11665397,dilithium;sulfite,[Li+].[Li+].[O-]S(=O)[O-],"InChI=1S/2Li.H2O3S/c;;1-4(2)3/h;;(H2,1,2,3)/q2*+1;/p-2",BBLSYMNDKUHQAG-UHFFFAOYSA-L,Li2O3S,94,93.9888219,,82.4,18,0,0,4,0,6,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
CERIUM (III) ACETATE,017829-82-2,22833299,bis(cerium(3+));hexaacetate;trihydrate,CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].O.O.O.[Ce+3].[Ce+3],"InChI=1S/6C2H4O2.2Ce.3H2O/c6*1-2(3)4;;;;;/h6*1H3,(H,3,4);;;3*1H2/q;;;;;;2*+3;;;/p-6",FLEYCIHWCBGBLG-UHFFFAOYSA-H,C12H24Ce2O15,688.54,687.92242,,244,25,0,3,15,0,29,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
ALUMINUM TITANIUM OXIDE,012004-39-6,165932,dialuminum;heptakis(oxygen(2-));bis(titanium(4+)),[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Al+3].[Al+3].[Ti+4].[Ti+4],InChI=1S/2Al.7O.2Ti/q2*+3;7*-2;2*+4,COTUMVFAJGQVPQ-UHFFFAOYSA-N,Al2O7Ti2,261.69,261.823361,,7,0,0,0,7,0,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"9-OCTADECENOIC ACID (Z)-, (DIBUTYLSTANNYLENE)BIS(THIO-2,1-ETHANEDIYL) ESTER",067361-77-7,154734598,2-[dibutyl-[2-[(Z)-octadec-9-enoyl]oxyethylsulfanyl]stannyl]sulfanylethyl (Z)-octadec-9-enoate,CCCCCCCC/C=C\CCCCCCCC(=O)OCCS[Sn](SCCOC(=O)CCCCCCC/C=C\CCCCCCCC)(CCCC)CCCC,"InChI=1S/2C20H38O2S.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)22-18-19-23;2*1-3-4-2;/h2*9-10,23H,2-8,11-19H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*10-9-;;;",DUHOHCDHGJKLNY-BGSQTJHASA-L,C48H92O4S2Sn,916.1,916.545906,,103,810,0,0,6,46,55,,,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,1,0
THORIUM DIOXALATE,002040-52-0,74880,oxalic acid;thorium,C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.[Th],"InChI=1S/2C2H2O4.Th/c2*3-1(4)2(5)6;/h2*(H,3,4)(H,5,6);",MVVXFNGAKVVFBW-UHFFFAOYSA-N,C4H4O8Th,412.11,412.02867,,149,172,0,4,8,0,13,,,0,0,0,0,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,1
DIBUTYLTIN BIS(2-ETHYLHEXANOATE),002781-10-4,16682803,[dibutyl(2-ethylhexanoyloxy)stannyl] 2-ethylhexanoate,CCCCC(CC)C(=O)O[Sn](CCCC)(CCCC)OC(=O)C(CC)CCCC,"InChI=1S/2C8H16O2.2C4H9.Sn/c2*1-3-5-6-7(4-2)8(9)10;2*1-3-4-2;/h2*7H,3-6H2,1-2H3,(H,9,10);2*1,3-4H2,2H3;/q;;;;+2/p-2",GPDWNEFHGANACG-UHFFFAOYSA-L,C24H48O4Sn,519.3,520.257463,,52.6,399,0,0,4,20,29,,,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,1,0
TRIS(DI(2H3)METHYLAMIDO)PHOSPHORUS,051219-90-0,170997,"N-bis[bis(trideuteriomethyl)amino]phosphoryl-1,1,1-trideuterio-N-(trideuteriomethyl)methanamine",[2H]C([2H])([2H])N(C([2H])([2H])[2H])P(=O)(N(C([2H])([2H])[2H])C([2H])([2H])[2H])N(C([2H])([2H])[2H])C([2H])([2H])[2H],"InChI=1S/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3/i1D3,2D3,3D3,4D3,5D3,6D3",GNOIPBMMFNIUFM-NBDUPMGQSA-N,C6H18N3OP,197.31,197.2317306,0.3,26.8,139,0,0,4,3,11,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TETRAFLUOROETHYLENE (INHIBITED),000116-14-3,8301,"1,1,2,2-tetrafluoroethene",C(=C(F)F)(F)F,InChI=1S/C2F4/c3-1(4)2(5)6,BFKJFAAPBSQJPD-UHFFFAOYSA-N,C2F4,100.01,99.99361265,1.3,0,55,0,0,4,0,6,"<32 °F (<0 °C) (closed cup) /Tetrafluoroethylene, inhibited/","-105.3 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PLUMBATE (PBO44-), CALCIUM (1:2), (T-4)-",012013-69-3,14228656,calcium dioxido(oxo)lead,[O-][Pb](=O)[O-].[Ca+2],InChI=1S/Ca.3O.Pb/q+2;;2*-1;,BKCKYDWIGITWSZ-UHFFFAOYSA-N,CaO3Pb,295,295.92399,,63.2,18,0,0,3,0,5,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,1,1
AMMONIUM NONADECAFLUORODECANOATE,003108-42-7,3014171,"azanium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate",C(=O)(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)[O-].[NH4+],"InChI=1S/C10HF19O2.H3N/c11-2(12,1(30)31)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29;/h(H,30,31);1H3",CQLZEWXXRJJDKG-UHFFFAOYSA-N,C10H4F19NO2,531.11,530.9938634,,41.1,695,0,1,21,7,32,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
PERFLUORODECANOIC ACID,000335-76-2,9555,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoic acid",C(=O)(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,"InChI=1S/C10HF19O2/c11-2(12,1(30)31)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/h(H,30,31)",PCIUEQPBYFRTEM-UHFFFAOYSA-N,C10HF19O2,514.08,513.9673143,6.3,37.3,701,0,1,21,8,31,,"424 °F at 740 mmHg (NTP, 1992)",0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
METHYLENE CHLORIDE,000075-09-2,6344,dichloromethane,C(Cl)Cl,InChI=1S/CH2Cl2/c2-1-3/h1H2,YMWUJEATGCHHMB-UHFFFAOYSA-N,CH2Cl2,84.93,83.9533555,1.5,0,2,0,0,0,0,3,,"103.6 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TITANIUM DIOXIDE,013463-67-7,26042,dioxotitanium,O=[Ti]=O,InChI=1S/2O.Ti,GWEVSGVZZGPLCZ-UHFFFAOYSA-N,O2Ti,79.866,79.9377699,,34.1,18,0,0,2,0,3,,"4532 to 5432 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ACETAMIDE,000060-35-5,178,acetamide,CC(=O)N,"InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)",DLFVBJFMPXGRIB-UHFFFAOYSA-N,C2H5NO,59.07,59.03711378,-0.9,43.1,33,0,1,1,0,4,,"430 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"8-OXA-3,5-DITHIA-4-STANNATETRADECANOIC ACID, 10-ETHYL-4-[[2-[(2-ETHYLHEXYL)OXY",027107-89-7,93109,2-ethylhexyl 2-[bis[[2-(2-ethylhexoxy)-2-oxoethyl]sulfanyl]-octylstannyl]sulfanylacetate,CCCCCCCC[Sn](SCC(=O)OCC(CC)CCCC)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC,"InChI=1S/3C10H20O2S.C8H17.Sn/c3*1-3-5-6-9(4-2)7-12-10(11)8-13;1-3-5-7-8-6-4-2;/h3*9,13H,3-8H2,1-2H3;1,3-8H2,2H3;/q;;;;+3/p-3",VHKGIWUCVBAITR-UHFFFAOYSA-K,C38H74O6S3Sn,841.9,842.366956,,155,714,0,0,9,37,48,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
TELLURIUM (POWDER),013494-80-9,6327182,tellurium,[Te],InChI=1S/Te,PORWMNRCUJJQNO-UHFFFAOYSA-N,Te,127.6,129.9062227,,0,0,0,0,0,0,1,,"1814 °F amorphous powder; 2534 °F crystalline solid (EPA, 1998)",0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"8-OXA-3,5-DITHIA-4-STANNATETRADECANOIC ACID, 10-ETHYL-4,4-DIOCTYL-7-OXO-, 2-ET",015571-58-1,9576033,2-ethylhexyl 2-[[2-(2-ethylhexoxy)-2-oxoethyl]sulfanyl-dioctylstannyl]sulfanylacetate,CCCCCCCC[Sn](CCCCCCCC)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC,"InChI=1S/2C10H20O2S.2C8H17.Sn/c2*1-3-5-6-9(4-2)7-12-10(11)8-13;2*1-3-5-7-8-6-4-2;/h2*9,13H,3-8H2,1-2H3;2*1,3-8H2,2H3;/q;;;;+2/p-2",VXGIVDFKZKMKQO-UHFFFAOYSA-L,C36H72O4S2Sn,751.8,752.389406,,103,595,0,0,6,34,43,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
2-ETHYLHEXANOIC ACID,000149-57-5,8697,2-ethylhexanoic acid,CCCCC(CC)C(=O)O,"InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)",OBETXYAYXDNJHR-UHFFFAOYSA-N,C8H16O2,144.21,144.1150297,2.6,37.3,99,0,1,2,5,10,"260 °F (NTP, 1992)","442 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"BORIC ACID (H3BO3), POTASSIUM SALT",020786-60-1,6336567,,B(O)(O)O.[K],InChI=1S/BH3O3.K/c2-1(3)4;/h2-4H;,AENYAMPVQFAKHY-UHFFFAOYSA-N,BH3KO3,100.93,100.9812306,,60.7,8,0,3,3,0,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
LEAD METAL (SOLID),007439-92-1,5352425,lead,[Pb],InChI=1S/Pb,WABPQHHGFIMREM-UHFFFAOYSA-N,Pb,207,207.97665,,0,0,0,0,0,0,1,,"3164 °F at 760 mmHg (NTP, 1992)",1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
BORIC ACID,010043-35-3,7628,boric acid,B(O)(O)O,InChI=1S/BH3O3/c2-1(3)4/h2-4H,KGBXLFKZBHKPEV-UHFFFAOYSA-N,BH3O3,61.84,62.0175241,,60.7,8,0,3,3,0,4,,"572 °F at 760 mmHg (decomposes) (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
BORON ZINC HYDROXIDE OXIDE,138265-88-0,156593789,,[B].[OH-].[O].[Zn],InChI=1S/B.H2O.O.Zn/h;1H2;;/p-1,LJUNORKSFCLIQN-UHFFFAOYSA-M,BHO2Zn-,109.2,107.936101,,2,0,-1,1,2,0,4,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"8-OXA-3,5-DITHIA-4-STANNATETRADECANOIC ACID, 10-ETHYL-4-[[2-[(2-ETHYLHEXYL)OXY",057583-34-3,94580,2-ethylhexyl 2-[bis[[2-(2-ethylhexoxy)-2-oxoethyl]sulfanyl]-methylstannyl]sulfanylacetate,CCCCC(CC)COC(=O)CS[Sn](C)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC,"InChI=1S/3C10H20O2S.CH3.Sn/c3*1-3-5-6-9(4-2)7-12-10(11)8-13;;/h3*9,13H,3-8H2,1-2H3;1H3;/q;;;;+3/p-3",ACRNSUGLVQJCOM-UHFFFAOYSA-K,C31H60O6S3Sn,743.7,744.257406,,155,608,0,0,9,30,41,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"HEXANOIC ACID, 2-ETHYL-, 2-ETHYLHEXYL ESTER",007425-14-1,23906,2-ethylhexyl 2-ethylhexanoate,CCCCC(CC)COC(=O)C(CC)CCCC,"InChI=1S/C16H32O2/c1-5-9-11-14(7-3)13-18-16(17)15(8-4)12-10-6-2/h14-15H,5-13H2,1-4H3",OUCGJMIVSYHBEC-UHFFFAOYSA-N,C16H32O2,256.42,256.2402303,6.1,26.3,201,0,0,2,12,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
SILVER METAL,007440-22-4,23954,silver,[Ag],InChI=1S/Ag,BQCADISMDOOEFD-UHFFFAOYSA-N,Ag,107.868,106.90509,,0,0,0,0,0,0,1,,"4014 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
MANGANESE(II) SULFATE,007785-87-7,24580,manganese(2+) sulfate,[O-]S(=O)(=O)[O-].[Mn+2],"InChI=1S/Mn.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",SQQMAOCOWKFBNP-UHFFFAOYSA-L,MnO4S,151,150.889773,,88.6,62,0,0,4,0,6,,Decomp @ 850 °C,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
2-TRIDECANONE,000593-08-8,11622,tridecan-2-one,CCCCCCCCCCCC(=O)C,"InChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3-12H2,1-2H3",CYIFVRUOHKNECG-UHFFFAOYSA-N,C13H26O,198.34,198.1983654,5.2,17.1,129,0,0,1,10,14,"225 °F (NTP, 1992)","505 °F at 760 mmHg (NTP, 1992)",1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"STANNANE, HYDROXYOCTYLOXO-",013356-20-2,83370,hydroxy-octyl-oxotin,CCCCCCCC[Sn](=O)O,"InChI=1S/C8H17.H2O.O.Sn/c1-3-5-7-8-6-4-2;;;/h1,3-8H2,2H3;1H2;;/q;;;+1/p-1",PTEQOGYHCSJZIZ-UHFFFAOYSA-M,C8H18O2Sn,264.94,266.032882,,37.3,104,0,1,2,7,11,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"6,10-DODECADIEN-1-YN-3-OL, 3,7,11-TRIMETHYL-",054325-12-1,102805,"3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ol",CC(=CCCC(=CCCC(C)(C#C)O)C)C,"InChI=1S/C15H24O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h1,9,11,16H,7-8,10,12H2,2-5H3",ZNVPGYAGXVEAFP-UHFFFAOYSA-N,C15H24O,220.35,220.1827154,4.1,20.2,310,0,1,1,7,16,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
ZINC OXIDE PHOSPHONATE (ZN4O3(HPO3)),064539-51-1,90474437,tetrazinc;hydrogen phosphite;tris(oxygen(2-)),[O-2].[O-2].[O-2].OP([O-])[O-].[Zn+2].[Zn+2].[Zn+2].[Zn+2],InChI=1S/HO3P.3O.4Zn/c1-4(2)3;;;;;;;/h1H;;;;;;;/q4*-2;4*+2,DTTPQIOEDQOFNB-UHFFFAOYSA-N,HO6PZn4,389.5,389.66024,,69.4,10,0,1,6,0,11,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
METHYL LAURATE,000111-82-0,8139,methyl dodecanoate,CCCCCCCCCCCC(=O)OC,"InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3",UQDUPQYQJKYHQI-UHFFFAOYSA-N,C13H26O2,214.34,214.1932801,5.8,26.3,143,0,0,2,11,15,,267 °C,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BUTANOIC ACID, 3-METHYL-, 3-METHYLBUTYL ESTER",000659-70-1,12613,3-methylbutyl 3-methylbutanoate,CC(C)CCOC(=O)CC(C)C,"InChI=1S/C10H20O2/c1-8(2)5-6-12-10(11)7-9(3)4/h8-9H,5-7H2,1-4H3",XINCECQTMHSORG-UHFFFAOYSA-N,C10H20O2,172.26,172.1463299,3.1,26.3,128,0,0,2,6,12,,190.00 to 191.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
IRON VANADIUM OXIDE (FEV2O4),012022-76-3,44148971,iron(3+);tetrakis(oxygen(2-));vanadium,[O-2].[O-2].[O-2].[O-2].[V].[Fe+3],InChI=1S/Fe.4O.V/q+3;4*-2;,QCGKJLSEKPPOHW-UHFFFAOYSA-N,FeO4V-5,170.78,170.858552,,4,0,-5,0,4,0,6,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"9-DODECEN-1-OL, ACETATE, (E)-",035148-19-7,5363548,[(E)-dodec-9-enyl] acetate,CC/C=C/CCCCCCCCOC(=O)C,"InChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h4-5H,3,6-13H2,1-2H3/b5-4+",MFFQOUCMBNXSBK-SNAWJCMRSA-N,C14H26O2,226.35,226.1932801,4.8,26.3,185,0,0,2,11,16,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANOIC ACID, 3-[[BIS(1-METHYLETHOXY)PHOSPHINOTHIOYL]THIO]-, ETHYL ESTER",071735-74-5,155666,ethyl 3-di(propan-2-yloxy)phosphinothioylsulfanylpropanoate,CCOC(=O)CCSP(=S)(OC(C)C)OC(C)C,"InChI=1S/C11H23O4PS2/c1-6-13-11(12)7-8-18-16(17,14-9(2)3)15-10(4)5/h9-10H,6-8H2,1-5H3",PMWHATAFABINDH-UHFFFAOYSA-N,C11H23O4PS2,314.4,314.0775386,3.4,102,281,0,0,6,10,18,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"DL-ASPARTIC ACID, N-(3-CARBOXY-1-OXO-3-SULFOPROPYL)-N-OCTADECENYL-,TETRASODIUM",081869-18-3,6441957,tetrasodium;(2S)-2-[(3-carboxylato-3-sulfonatopropanoyl)-[(E)-octadec-1-enyl]amino]butanedioate,CCCCCCCCCCCCCCCC/C=C/N([C@@H](CC(=O)[O-])C(=O)[O-])C(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+],"InChI=1S/C26H45NO10S.4Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(21(25(31)32)19-24(29)30)23(28)20-22(26(33)34)38(35,36)37;;;;/h17-18,21-22H,2-16,19-20H2,1H3,(H,29,30)(H,31,32)(H,33,34)(H,35,36,37);;;;/q;4*+1/p-4/b18-17+;;;;/t21-,22?;;;;/m0..../s1",OVSNCCHFVLZIHF-GVRTZLACSA-J,C26H41NNa4O10S,651.6,651.2041948,,206,821,0,0,10,20,42,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
GLYPHOSATE DIAMMONIUM SALT,069254-40-6,44146828,diazanium;2-(phosphonatomethylamino)acetic acid,C(C(=O)O)NCP(=O)([O-])[O-].[NH4+].[NH4+],"InChI=1S/C3H8NO5P.2H3N/c5-3(6)1-4-2-10(7,8)9;;/h4H,1-2H2,(H,5,6)(H2,7,8,9);2*1H3",CPHCYTUHSKEDOI-UHFFFAOYSA-N,C3H14N3O5P,203.13,203.0671076,,115,151,0,4,6,3,12,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-DECANAMINE, N,N-DIDECYL-",001070-01-5,14049,"N,N-didecyldecan-1-amine",CCCCCCCCCCN(CCCCCCCCCC)CCCCCCCCCC,"InChI=1S/C30H63N/c1-4-7-10-13-16-19-22-25-28-31(29-26-23-20-17-14-11-8-5-2)30-27-24-21-18-15-12-9-6-3/h4-30H2,1-3H3",COFKFSSWMQHKMD-UHFFFAOYSA-N,C30H63N,437.8,437.496051,13.8,3.2,253,0,0,1,27,31,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
SODIUM HEXACYANOFERRATE (II) DECAHYDRATE,014434-22-1,6093374,tetrasodium;iron(2+);hexacyanide;decahydrate,[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].[Fe+2],InChI=1S/6CN.Fe.4Na.10H2O/c6*1-2;;;;;;;;;;;;;;;/h;;;;;;;;;;;10*1H2/q6*-1;+2;4*+1;;;;;;;;;;,JFSUDVTVQZUDOP-UHFFFAOYSA-N,C6H20FeN6Na4O10,484.06,484.018104,,153,10,0,10,22,0,27,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"6,8-NONADIEN-3-ONE, 2,4,4,7-TETRAMETHYL-",081782-89-0,6441956,"(6E)-2,4,4,7-tetramethylnona-6,8-dien-3-one",CC(C)C(=O)C(C)(C)C/C=C(\C)/C=C,"InChI=1S/C13H22O/c1-7-11(4)8-9-13(5,6)12(14)10(2)3/h7-8,10H,1,9H2,2-6H3/b11-8+",TWJFINAHYOYYOB-DHZHZOJOSA-N,C13H22O,194.31,194.1670653,4.2,17.1,244,0,0,1,5,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
STEARIC ACID DIETHANOLAMIDE,000093-82-3,7163,"N,N-bis(2-hydroxyethyl)octadecanamide",CCCCCCCCCCCCCCCCCC(=O)N(CCO)CCO,"InChI=1S/C22H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25/h24-25H,2-21H2,1H3",XGZOMURMPLSSKQ-UHFFFAOYSA-N,C22H45NO3,371.6,371.3399443,6.8,60.8,291,0,2,3,20,26,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
BISMUTH OXYCARBONATE,005892-10-4,16683095,bis(oxobismuthanyl) carbonate,C(=O)(O[Bi]=O)O[Bi]=O,"InChI=1S/CH2O3.2Bi.2O/c2-1(3)4;;;;/h(H2,2,3,4);;;;/q;2*+1;;/p-2",MGLUJXPJRXTKJM-UHFFFAOYSA-L,CBi2O5,509.97,509.93537,,69.7,97,0,0,5,2,8,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
DIAMYL AMYLPHOSPHONATE,006418-56-0,80880,1-[pentoxy(pentyl)phosphoryl]oxypentane,CCCCCOP(=O)(CCCCC)OCCCCC,"InChI=1S/C15H33O3P/c1-4-7-10-13-17-19(16,15-12-9-6-3)18-14-11-8-5-2/h4-15H2,1-3H3",QMOMLBXAJYQNCP-UHFFFAOYSA-N,C15H33O3P,292.39,292.2167319,4.9,35.5,215,0,0,3,14,19,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
ALUMINUM HYDROXIDE OXIDE (AL(OH)O),024623-77-6,32524,hydroxy(oxo)alumane,O[Al]=O,InChI=1S/Al.H2O.O/h;1H2;/q+1;;/p-1,FAHBNUUHRFUEAI-UHFFFAOYSA-M,AlHO2,59.988,59.9791927,,37.3,10,0,1,2,0,3,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"OCTADECANOIC ACID, 2-METHYL-",007217-83-6,111278,2-methyloctadecanoic acid,CCCCCCCCCCCCCCCCC(C)C(=O)O,"InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19(20)21/h18H,3-17H2,1-2H3,(H,20,21)",GBZDALHFANHWOF-UHFFFAOYSA-N,C19H38O2,298.5,298.2871805,8.8,37.3,226,0,1,2,16,21,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"SILANE, TRIS(PENTYLOXY)-",017907-97-0,6335363,,CCCCCO[Si](OCCCCC)OCCCCC,"InChI=1S/C15H33O3Si/c1-4-7-10-13-16-19(17-14-11-8-5-2)18-15-12-9-6-3/h4-15H2,1-3H3",SFMFSJQRKXEGAM-UHFFFAOYSA-N,C15H33O3Si,289.51,289.2198964,,27.7,139,0,0,3,15,19,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Choline, chloride, succinate (2:1)",71-27-2,22475,trimethyl-[2-[4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl]oxyethyl]azanium dichloride,C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C.[Cl-].[Cl-],"InChI=1S/C14H30N2O4.2ClH/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6;;/h7-12H2,1-6H3;2*1H/q+2;;/p-2",YOEWQQVKRJEPAE-UHFFFAOYSA-L,C14H30Cl2N2O4,361.3,360.1582628,,52.6,284,0,0,6,11,22,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pentanoic acid, 2-ethyl-4-methyl-",108-81-6,164536,2-ethyl-4-methylpentanoic acid,CCC(CC(C)C)C(=O)O,"InChI=1S/C8H16O2/c1-4-7(8(9)10)5-6(2)3/h6-7H,4-5H2,1-3H3,(H,9,10)",XTCNGAJYWUIFFB-UHFFFAOYSA-N,C8H16O2,144.21,144.1150297,2.3,37.3,108,0,1,2,4,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Carbamodithioic acid, methyl-",144-54-7,3001858,methylcarbamodithioic acid,CNC(=S)S,"InChI=1S/C2H5NS2/c1-3-2(4)5/h1H3,(H2,3,4,5)",HYVVJDQGXFXBRZ-UHFFFAOYSA-N,C2H5NS2,107.2,106.9863415,0.7,45.1,42,0,2,2,0,5,,,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,1,1,1
"Phosphorothioic acid, O,O-diethyl O-(2-(ethylthio)ethyl) ester",298-03-3,9273,diethoxy-(2-ethylsulfanylethoxy)-sulfanylidene-lambda5-phosphane,CCOP(=S)(OCC)OCCSCC,"InChI=1S/C8H19O3PS2/c1-4-9-12(13,10-5-2)11-7-8-14-6-3/h4-8H2,1-3H3",DGLIBALSRMUQDD-UHFFFAOYSA-N,C8H19O3PS2,258.3,258.0513238,3,85.1,168,0,0,5,9,14,,,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Decane, docosafluoro-",307-45-9,120203,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-docosafluorodecane",C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C10F22/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)32",BPHQIXJDBIHMLT-UHFFFAOYSA-N,C10F22,538.07,537.9648696,7.8,0,626,0,0,22,7,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ammonium, tetrapropyl-, tetrafluoroborate(1-)",338-38-5,9558,tetrapropylazanium tetrafluoroborate,[B-](F)(F)(F)F.CCC[N+](CCC)(CCC)CCC,"InChI=1S/C12H28N.BF4/c1-5-9-13(10-6-2,11-7-3)12-8-4;2-1(3,4)5/h5-12H2,1-4H3;/q+1;-1",ADADJCUTHQJPCB-UHFFFAOYSA-N,C12H28BF4N,273.16,273.2250927,,0,99,0,0,5,8,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"beta-Alanine, N-(aminoiminomethyl)-",353-09-3,67701,3-(diaminomethylideneamino)propanoic acid,C(CN=C(N)N)C(=O)O,"InChI=1S/C4H9N3O2/c5-4(6)7-2-1-3(8)9/h1-2H2,(H,8,9)(H4,5,6,7)",KMXXSJLYVJEBHI-UHFFFAOYSA-N,C4H9N3O2,131.13,131.0694765,-1.8,102,128,0,3,3,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethylene, 2-chloro-1,1-difluoro-",359-10-4,9664,"2-chloro-1,1-difluoroethene",C(=C(F)F)Cl,InChI=1S/C2HClF2/c3-1-2(4)5/h1H,HTHNTJCVPNKCPZ-UHFFFAOYSA-N,C2HClF2,98.48,97.9734841,1.5,0,45,0,0,2,0,5,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Acetonitrile, difluoro-",359-12-6,120219,"2,2-difluoroacetonitrile",C(#N)C(F)F,InChI=1S/C2HF2N/c3-2(4)1-5/h2H,DQFXLCKTFSDWHB-UHFFFAOYSA-N,C2HF2N,77.03,77.00770536,0.8,23.8,59,0,0,3,0,5,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Isobutyric acid, hexafluoro-, methyl ester",360-54-3,9673,"methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate",COC(=O)C(C(F)(F)F)C(F)(F)F,"InChI=1S/C5H4F6O2/c1-13-3(12)2(4(6,7)8)5(9,10)11/h2H,1H3",JGGBVFLRNNDHCM-UHFFFAOYSA-N,C5H4F6O2,210.07,210.0115483,2.3,26.3,178,0,0,8,2,13,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"2-Heptanol, 6-amino-2-methyl-",372-66-7,3590,6-amino-2-methylheptan-2-ol,CC(CCCC(C)(C)O)N,"InChI=1S/C8H19NO/c1-7(9)5-4-6-8(2,3)10/h7,10H,4-6,9H2,1-3H3",LREQLEBVOXIEOM-UHFFFAOYSA-N,C8H19NO,145.24,145.1466642,0.7,46.3,91,0,2,2,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ether, 2-chloro-1,1,2-trifluoroethyl methyl",425-87-6,9877,"2-chloro-1,1,2-trifluoro-1-methoxyethane",COC(C(F)Cl)(F)F,"InChI=1S/C3H4ClF3O/c1-8-3(6,7)2(4)5/h2H,1H3",KKXBMWAROXAWSZ-UHFFFAOYSA-N,C3H4ClF3O,148.51,147.9902769,2,9.2,76,0,0,4,2,8,,,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-Propanol, 1-chloro-3-fluoro-",453-11-2,92107,1-chloro-3-fluoropropan-2-ol,C(C(CCl)O)F,"InChI=1S/C3H6ClFO/c4-1-3(6)2-5/h3,6H,1-2H2",ZNKJYZHZWALQNX-UHFFFAOYSA-N,C3H6ClFO,112.53,112.0091207,0.5,20.2,34,0,1,2,2,6,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1-Nonyne, 9-fluoro-",463-19-4,10030,9-fluoronon-1-yne,C#CCCCCCCCF,"InChI=1S/C9H15F/c1-2-3-4-5-6-7-8-9-10/h1H,3-9H2",IAJHEMNFBQPVCL-UHFFFAOYSA-N,C9H15F,142.21,142.1157786,3.5,0,98,0,0,1,6,10,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, chlorofluoro-",471-44-3,98260,2-chloro-2-fluoroacetic acid,C(C(=O)O)(F)Cl,"InChI=1S/C2H2ClFO2/c3-1(4)2(5)6/h1H,(H,5,6)",JBIKZDFUXGHTHD-UHFFFAOYSA-N,C2H2ClFO2,112.49,111.9727352,0.9,37.3,64,0,1,3,1,6,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"Isocyanic acid, 2-fluoroethyl ester",505-12-4,10449,1-fluoro-2-isocyanatoethane,C(CF)N=C=O,InChI=1S/C3H4FNO/c4-1-2-5-3-6/h1-2H2,JNAJXLFIFYAWRN-UHFFFAOYSA-N,C3H4FNO,89.07,89.02769191,1.3,29.4,67,0,0,3,2,6,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,1,0,1,0,0,0
"Oxalic acid, disilver(1+) salt",533-51-7,62364,disilver;oxalate,C(=O)(C(=O)[O-])[O-].[Ag+].[Ag+],"InChI=1S/C2H2O4.2Ag/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;/q;2*+1/p-2",XNGYKPINNDWGGF-UHFFFAOYSA-L,C2Ag2O4,303.76,303.78951,,80.3,60,0,0,4,0,8,,,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Mercury, butylchloro-",543-63-5,10978,butyl(chloro)mercury,CCCC[Hg]Cl,"InChI=1S/C4H9.ClH.Hg/c1-3-4-2;;/h1,3-4H2,2H3;1H;/q;;+1/p-1",OKPMTXZRMGMMOO-UHFFFAOYSA-M,C4H9ClHg,293.16,294.009922,,0,23,0,0,0,2,6,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"Urea, isobutyl-",592-17-6,79051,2-methylpropylurea,CC(C)CNC(=O)N,"InChI=1S/C5H12N2O/c1-4(2)3-7-5(6)8/h4H,3H2,1-2H3,(H3,6,7,8)",MQBITTBZTXUIPN-UHFFFAOYSA-N,C5H12N2O,116.16,116.094963,0.3,55.1,80,0,2,1,2,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propane, 1,2-dichloro-2-methyl-",594-37-6,117943,"1,2-dichloro-2-methylpropane",CC(C)(CCl)Cl,"InChI=1S/C4H8Cl2/c1-4(2,6)3-5/h3H2,1-2H3",OQPNDCHKFIHPBY-UHFFFAOYSA-N,C4H8Cl2,127.01,126.0003056,2,0,40,0,0,0,1,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Diisopropylamine, N-nitroso-",601-77-4,11758,"N,N-di(propan-2-yl)nitrous amide",CC(C)N(C(C)C)N=O,"InChI=1S/C6H14N2O/c1-5(2)8(7-9)6(3)4/h5-6H,1-4H3",AUIKJTGFPFLMFP-UHFFFAOYSA-N,C6H14N2O,130.19,130.1106131,1.4,32.7,83,0,0,3,2,9,,194.5 °C,0,0,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"Carbamic acid, thio-, O-ethyl ester",625-57-0,3032339,O-ethyl carbamothioate,CCOC(=S)N,"InChI=1S/C3H7NOS/c1-2-5-3(4)6/h2H2,1H3,(H2,4,6)",PWZUZQNZVZKCBI-UHFFFAOYSA-N,C3H7NOS,105.16,105.024835,0.5,67.3,54,0,1,2,2,6,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ether, ethyl propyl",628-32-0,12340,1-ethoxypropane,CCCOCC,"InChI=1S/C5H12O/c1-3-5-6-4-2/h3-5H2,1-2H3",NVJUHMXYKCUMQA-UHFFFAOYSA-N,C5H12O,88.15,88.088815,1.3,9.2,19,0,0,1,3,6,"less than -4 °F (NFPA, 2010)",,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1
"Propane, 2-methyl-1,2,3-tribromo-",631-28-7,92137,"1,2,3-tribromo-2-methylpropane",CC(CBr)(CBr)Br,"InChI=1S/C4H7Br3/c1-4(7,2-5)3-6/h2-3H2,1H3",OIRQLILPXCJMIY-UHFFFAOYSA-N,C4H7Br3,294.81,293.80774,2.8,0,48,0,0,0,2,7,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propanoic acid, 3-(methylsulfonyl)-",645-83-0,120308,3-methylsulfonylpropanoic acid,CS(=O)(=O)CCC(=O)O,"InChI=1S/C4H8O4S/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)",ODUCCTTZGHSNKX-UHFFFAOYSA-N,C4H8O4S,152.17,152.0143299,-0.9,79.8,185,0,1,4,3,9,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Guanidine, nitroso-",674-81-7,12660,2-nitrosoguanidine,C(=NN=O)(N)N,"InChI=1S/CH4N4O/c2-1(3)4-5-6/h(H4,2,3,4,6)",WTLKTXIHIHFSGU-UHFFFAOYSA-N,CH4N4O,88.07,88.03851076,-0.9,93.8,71,0,2,3,0,6,,,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0
"Formic acid, 1,1-dimethylethyl ester",762-75-4,61207,tert-butyl formate,CC(C)(C)OC=O,"InChI=1S/C5H10O2/c1-5(2,3)7-4-6/h4H,1-3H3",RUPAXCPQAAOIPB-UHFFFAOYSA-N,C5H10O2,102.13,102.0680796,1.1,26.3,61,0,0,2,2,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
"2-Butanone, 1-bromo-",816-40-0,13156,1-bromobutan-2-one,CCC(=O)CBr,"InChI=1S/C4H7BrO/c1-2-4(6)3-5/h2-3H2,1H3",CCXQVBSQUQCEEO-UHFFFAOYSA-N,C4H7BrO,151,149.96803,1.2,17.1,51,0,0,1,2,6,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Diisopropylamine, hydrochloride",819-79-4,11320964,N-propan-2-ylpropan-2-amine;hydrochloride,CC(C)NC(C)C.Cl,"InChI=1S/C6H15N.ClH/c1-5(2)7-6(3)4;/h5-7H,1-4H3;1H",URAZVWXGWMBUGJ-UHFFFAOYSA-N,C6H16ClN,137.65,137.0971272,,12,33,0,2,1,2,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"beta-Alanine, 2-fluoro-, hydrochloride",867-84-5,44630296,3-amino-2-fluoropropanoic acid;hydrochloride,C(C(C(=O)O)F)N.Cl,"InChI=1S/C3H6FNO2.ClH/c4-2(1-5)3(6)7;/h2H,1,5H2,(H,6,7);1H",CVYOZQFAVJXJTK-UHFFFAOYSA-N,C3H7ClFNO2,143.54,143.0149343,,63.3,75,0,3,4,2,8,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetaldehyde, dibutyl acetal",871-22-7,79117,1-(1-butoxyethoxy)butane,CCCCOC(C)OCCCC,"InChI=1S/C10H22O2/c1-4-6-8-11-10(3)12-9-7-5-2/h10H,4-9H2,1-3H3",SWTCCCJQNPGXLQ-UHFFFAOYSA-N,C10H22O2,174.28,174.1619799,3,18.5,73,0,0,2,8,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Carbonic acid, dithio-, O-butyl ester, potassium salt",871-58-9,11424037,potassium butoxymethanedithioate,CCCCOC(=S)[S-].[K+],"InChI=1S/C5H10OS2.K/c1-2-3-4-6-5(7)8;/h2-4H2,1H3,(H,7,8);/q;+1/p-1",OMKVZYFAGQKILB-UHFFFAOYSA-M,C5H9KOS2,188.4,187.9731887,,42.3,77,0,0,3,4,9,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-Butanol, 2,2'-(ethylenediimino)di-, dihydrochloride, (+)-",1070-11-7,14051,(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol;dihydrochloride,CC[C@@H](CO)NCCN[C@@H](CC)CO.Cl.Cl,"InChI=1S/C10H24N2O2.2ClH/c1-3-9(7-13)11-5-6-12-10(4-2)8-14;;/h9-14H,3-8H2,1-2H3;2*1H/t9-,10-;;/m0../s1",AUAHHJJRFHRVPV-BZDVOYDHSA-N,C10H26Cl2N2O2,277.23,276.1371335,,64.5,109,0,6,4,9,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Biguanide, 1,1-dimethyl-, hydrochloride",1115-70-4,14219,"3-(diaminomethylidene)-1,1-dimethylguanidine;hydrochloride",CN(C)C(=N)N=C(N)N.Cl,"InChI=1S/C4H11N5.ClH/c1-9(2)4(7)8-3(5)6;/h1-2H3,(H5,5,6,7,8);1H",OETHQSJEHLVLGH-UHFFFAOYSA-N,C4H12ClN5,165.62,165.0781231,,91.5,132,0,4,1,2,10,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propanoic acid, 2,2-dimethyl-, sodium salt",1184-88-9,23664765,"sodium 2,2-dimethylpropanoate",CC(C)(C)C(=O)[O-].[Na+],"InChI=1S/C5H10O2.Na/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1",SJRDNQOIQZOVQD-UHFFFAOYSA-M,C5H9NaO2,124.11,124.0500238,,40.1,82,0,0,2,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Zinc arsenate,1303-39-5,6451222,trizinc diarsorate,[O-][As](=O)([O-])[O-].[O-][As](=O)([O-])[O-].[Zn+2].[Zn+2].[Zn+2],"InChI=1S/2AsH3O4.3Zn/c2*2-1(3,4)5;;;/h2*(H3,2,3,4,5);;;/q;;3*+2/p-6",LHBPLFWXEXNIJU-UHFFFAOYSA-H,As2O8Zn3,474,471.58682,,173,36,0,0,8,0,13,,,1,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Heptanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-",1546-95-8,15243,"2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoic acid",C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C7H2F12O2/c8-1(9)3(10,11)5(14,15)7(18,19)6(16,17)4(12,13)2(20)21/h1H,(H,20,21)",JZHDEEOTEUVLHR-UHFFFAOYSA-N,C7H2F12O2,346.07,345.9863172,4,37.3,414,0,1,14,6,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2-Butanone, 1-hydroxy-, acetate",1575-57-1,15302,2-oxobutyl acetate,CCC(=O)COC(=O)C,"InChI=1S/C6H10O3/c1-3-6(8)4-9-5(2)7/h3-4H2,1-2H3",LHGWJCBYBIICPP-UHFFFAOYSA-N,C6H10O3,130.14,130.0629942,0.3,43.4,117,0,0,3,4,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Propanol, 3-methoxy-",1589-49-7,74116,3-methoxypropan-1-ol,COCCCO,"InChI=1S/C4H10O2/c1-6-4-2-3-5/h5H,2-4H2,1H3",JDFDHBSESGTDAL-UHFFFAOYSA-N,C4H10O2,90.12,90.06807956,-0.2,29.5,21,0,1,2,3,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"Undecanoic acid, 11-chloro-",1860-44-2,200380,11-chloroundecanoic acid,C(CCCCCCl)CCCCC(=O)O,"InChI=1S/C11H21ClO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10H2,(H,13,14)",GVZXFVFTBUYBJD-UHFFFAOYSA-N,C11H21ClO2,220.73,220.1230076,4.3,37.3,137,0,1,2,10,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-Propanediol, 3-ethoxy-",1874-62-0,94215,"3-ethoxypropane-1,2-diol",CCOCC(CO)O,"InChI=1S/C5H12O3/c1-2-8-4-5(7)3-6/h5-7H,2-4H2,1H3",LOSWWGJGSSQDKH-UHFFFAOYSA-N,C5H12O3,120.15,120.0786442,-0.9,49.7,46,0,2,3,4,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Succinyl chloride, methylene",1931-60-8,74731,2-methylidenebutanedioyl dichloride,C=C(CC(=O)Cl)C(=O)Cl,InChI=1S/C5H4Cl2O2/c1-3(5(7)9)2-4(6)8/h1-2H2,CGCRIQNPIBHVCQ-UHFFFAOYSA-N,C5H4Cl2O2,166.99,165.9588348,1.8,34.1,162,0,0,2,3,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"Formaldehyde, dimethylhydrazone",2035-89-4,74857,N-methyl-N-(methylideneamino)methanamine,CN(C)N=C,"InChI=1S/C3H8N2/c1-4-5(2)3/h1H2,2-3H3",NDNVSJIXYFNRDR-UHFFFAOYSA-N,C3H8N2,72.11,72.06874826,2,15.6,31,0,0,2,1,5,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1-Propanol, 3-(dibutylamino)-",2050-51-3,74905,3-(dibutylamino)propan-1-ol,CCCCN(CCCC)CCCO,"InChI=1S/C11H25NO/c1-3-5-8-12(9-6-4-2)10-7-11-13/h13H,3-11H2,1-2H3",DMPODMBXLRMZSP-UHFFFAOYSA-N,C11H25NO,187.32,187.1936144,2.4,23.5,88,0,1,2,9,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Penten-3-ol, 2-methyl-",7/5/88,16399,2-methylpent-1-en-3-ol,CCC(C(=C)C)O,"InChI=1S/C6H12O/c1-4-6(7)5(2)3/h6-7H,2,4H2,1,3H3",DHNPVHJGKASNBQ-UHFFFAOYSA-N,C6H12O,100.16,100.088815,1.7,20.2,66,0,1,1,2,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Valine, 3-mercapto-, hydrochloride, D-",2219-30-9,92173,(2S)-2-amino-3-methyl-3-sulfanylbutanoic acid;hydrochloride,CC(C)([C@H](C(=O)O)N)S.Cl,"InChI=1S/C5H11NO2S.ClH/c1-5(2,9)3(6)4(7)8;/h3,9H,6H2,1-2H3,(H,7,8);1H/t3-;/m0./s1",CZDHUFYOXKHLME-DFWYDOINSA-N,C5H12ClNO2S,185.67,185.0277275,,64.3,124,0,4,4,2,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0
"2-Propenenitrile, 3-(dimethylamino)-",2407-68-3,5324735,(E)-3-(dimethylamino)prop-2-enenitrile,CN(C)/C=C/C#N,"InChI=1S/C5H8N2/c1-7(2)5-3-4-6/h3,5H,1-2H3/b5-3+",ZKKBIZXAEDFPNL-HWKANZROSA-N,C5H8N2,96.13,96.06874826,0.5,27,104,0,0,2,1,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"10,12-Octadecadienoic acid, (10E,12Z)-",2420-56-6,5282800,"(10E,12Z)-octadeca-10,12-dienoic acid",CCCCC/C=C\C=C\CCCCCCCCC(=O)O,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-9H,2-5,10-17H2,1H3,(H,19,20)/b7-6-,9-8+",GKJZMAHZJGSBKD-NMMTYZSQSA-N,C18H32O2,280.4,280.2402303,7.1,37.3,267,0,1,2,14,20,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Carbamic acid, (mercaptoacetyl)methyl-, ethyl ester, S-ester with O,O-diethyl phosphorodithioate",2595-54-2,17434,ethyl N-(2-diethoxyphosphinothioylsulfanylacetyl)-N-methylcarbamate,CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC,"InChI=1S/C10H20NO5PS2/c1-5-14-10(13)11(4)9(12)8-19-17(18,15-6-2)16-7-3/h5-8H2,1-4H3",KLGMSAOQDHLCOS-UHFFFAOYSA-N,C10H20NO5PS2,329.4,329.0520521,2.4,122,343,0,0,7,9,19,,144 °C @ 0.02 mm Hg,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetamide, N,N'-ethylenebis(chloro-",9/9/20,17490,2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]acetamide,C(CNC(=O)CCl)NC(=O)CCl,"InChI=1S/C6H10Cl2N2O2/c7-3-5(11)9-1-2-10-6(12)4-8/h1-4H2,(H,9,11)(H,10,12)",BQUBHNCENTUVMP-UHFFFAOYSA-N,C6H10Cl2N2O2,213.06,212.011933,0.1,58.2,146,0,2,2,5,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,4-Dimethanesulfonoxy-2-butyne",2917-96-6,18019,4-methylsulfonyloxybut-2-ynyl methanesulfonate,CS(=O)(=O)OCC#CCOS(=O)(=O)C,"InChI=1S/C6H10O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h5-6H2,1-2H3",UGPGBZBAORCFNA-UHFFFAOYSA-N,C6H10O6S2,242.3,241.9918804,-0.9,104,380,0,0,6,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Phosphorodithioic acid, O,O,S-trimethyl ester",2953-29-9,18065,dimethoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane,COP(=S)(OC)SC,"InChI=1S/C3H9O2PS2/c1-4-6(7,5-2)8-3/h1-3H3",ILDHFYGNYDICFB-UHFFFAOYSA-N,C3H9O2PS2,172.2,171.9781589,1.6,75.9,97,0,0,4,3,8,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propylamine, N,1,1-trimethyl-, hydrochloride",2978-67-8,76320,"N,2-dimethylbutan-2-amine;hydrochloride",CCC(C)(C)NC.Cl,"InChI=1S/C6H15N.ClH/c1-5-6(2,3)7-4;/h7H,5H2,1-4H3;1H",ZRYGZUCHNAVIIG-UHFFFAOYSA-N,C6H16ClN,137.65,137.0971272,,12,48,0,2,1,2,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Glycine, N-2-propen-1-yl-",3182-77-2,76651,2-(prop-2-enylamino)acetic acid,C=CCNCC(=O)O,"InChI=1S/C5H9NO2/c1-2-3-6-4-5(7)8/h2,6H,1,3-4H2,(H,7,8)",YVWGGGZYGSZDKW-UHFFFAOYSA-N,C5H9NO2,115.13,115.0633285,-2.2,49.3,90,0,2,3,4,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Methanesulfonyl chloride, chloro-",3518-65-8,77054,chloromethanesulfonyl chloride,C(S(=O)(=O)Cl)Cl,"InChI=1S/CH2Cl2O2S/c2-1-6(3,4)5/h1H2",KQDDQXNVESLJNO-UHFFFAOYSA-N,CH2Cl2O2S,149,147.9152559,1.1,42.5,108,0,0,2,1,6,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Ether, 2-(N,N-dimethylamino)ethyl vinyl",3622-76-2,19240,"2-ethenoxy-N,N-dimethylethanamine",CN(C)CCOC=C,"InChI=1S/C6H13NO/c1-4-8-6-5-7(2)3/h4H,1,5-6H2,2-3H3",JWCDUUFOAZFFMX-UHFFFAOYSA-N,C6H13NO,115.17,115.099714,0.9,12.5,61,0,0,2,4,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propenamide, N-(methoxymethyl)-",11/9/44,77203,N-(methoxymethyl)prop-2-enamide,COCNC(=O)C=C,"InChI=1S/C5H9NO2/c1-3-5(7)6-4-8-2/h3H,1,4H2,2H3,(H,6,7)",ULYOZOPEFCQZHH-UHFFFAOYSA-N,C5H9NO2,115.13,115.0633285,0.1,38.3,90,0,1,2,3,8,,,0,1,0,1,0,1,0,1,0,0,1,0,0,0,0,0,1,0,0,0
"Malononitrile, ethyl-",3696-37-5,19426,2-ethylpropanedinitrile,CCC(C#N)C#N,"InChI=1S/C5H6N2/c1-2-5(3-6)4-7/h5H,2H2,1H3",PLKGLZXMDLCSLY-UHFFFAOYSA-N,C5H6N2,94.11,94.0530982,0.8,47.6,115,0,0,2,1,7,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acrolein, 2,3,3-trichloro-",3787-28-8,19623,"2,3,3-trichloroprop-2-enal",C(=O)C(=C(Cl)Cl)Cl,InChI=1S/C3HCl3O/c4-2(1-7)3(5)6/h1H,ZLWJEEVJKLGSRT-UHFFFAOYSA-N,C3HCl3O,159.39,157.909298,2.3,17.1,103,0,0,1,1,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Malonic acid, dihydrazide",3815-86-9,77433,propanedihydrazide,C(C(=O)NN)C(=O)NN,"InChI=1S/C3H8N4O2/c4-6-2(8)1-3(9)7-5/h1,4-5H2,(H,6,8)(H,7,9)",PSIKPHJLTVSQFO-UHFFFAOYSA-N,C3H8N4O2,132.12,132.0647255,-2.5,110,109,0,4,4,2,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethane, 1,2-bis((2-chloroethyl)sulfonyl)-",3944-87-4,19847,"1,2-bis(2-chloroethylsulfonyl)ethane",C(CS(=O)(=O)CCCl)S(=O)(=O)CCCl,"InChI=1S/C6H12Cl2O4S2/c7-1-3-13(9,10)5-6-14(11,12)4-2-8/h1-6H2",FQMRVYDYXSOKHL-UHFFFAOYSA-N,C6H12Cl2O4S2,283.2,281.9554066,0.2,85,299,0,0,4,7,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
"3-Pentanol, 2,2-dimethyl-",3970-62-5,19871,"2,2-dimethylpentan-3-ol",CCC(C(C)(C)C)O,"InChI=1S/C7H16O/c1-5-6(8)7(2,3)4/h6,8H,5H2,1-4H3",HMSVXZJWPVIVIV-UHFFFAOYSA-N,C7H16O,116.2,116.1201151,2.2,20.2,61,0,1,1,2,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Nonanoic acid, heptadecafluoro-, ammonium salt",4149-60-4,160734,"azanium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate",C(=O)(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)[O-].[NH4+],"InChI=1S/C9HF17O2.H3N/c10-2(11,1(27)28)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26;/h(H,27,28);1H3",ORBBVPFDROYXQS-UHFFFAOYSA-N,C9H4F17NO2,481.11,480.9970571,,41.1,609,0,1,19,6,29,,,0,0,1,1,0,1,0,1,0,0,0,0,0,1,0,0,0,0,1,0
"Ethane, 1-butoxy-2-(vinyloxy)-",11/4/23,20207,1-(2-ethenoxyethoxy)butane,CCCCOCCOC=C,"InChI=1S/C8H16O2/c1-3-5-6-10-8-7-9-4-2/h4H,2-3,5-8H2,1H3",UNMYKPSSIFZORM-UHFFFAOYSA-N,C8H16O2,144.21,144.1150297,1.9,18.5,71,0,0,2,7,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"Guanidine, 1-methyl-3-nitro-",4245-76-5,20237,2-methyl-1-nitroguanidine,CN=C(N)N[N+](=O)[O-],"InChI=1S/C2H6N4O2/c1-4-2(3)5-6(7)8/h1H3,(H3,3,4,5)",XCXKNNGWSDYMMS-UHFFFAOYSA-N,C2H6N4O2,118.1,118.0490755,-0.7,96.2,114,0,2,3,1,8,,,0,1,1,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
"Semicarbazide, thio-, monohydrochloride",4346-94-5,3037943,aminothiourea;hydrochloride,C(=S)(N)NN.Cl,"InChI=1S/CH5N3S.ClH/c2-1(5)4-3;/h3H2,(H3,2,4,5);1H",LEHOGBUBQSGCOK-UHFFFAOYSA-N,CH6ClN3S,127.6,126.9970961,,96.2,42,0,4,2,0,6,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propen-1-ol, beta-neopentyl-",4379-17-3,78086,"4,4-dimethyl-2-methylidenepentan-1-ol",CC(C)(C)CC(=C)CO,"InChI=1S/C8H16O/c1-7(6-9)5-8(2,3)4/h9H,1,5-6H2,2-4H3",SSTMSMYLTOSLSY-UHFFFAOYSA-N,C8H16O,128.21,128.1201151,2.4,20.2,97,0,1,1,3,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Butyronitrile, 2-hydroxy-",2/2/76,20553,2-hydroxybutanenitrile,CCC(C#N)O,"InChI=1S/C4H7NO/c1-2-4(6)3-5/h4,6H,2H2,1H3",NHSSTOSZJANVEV-UHFFFAOYSA-N,C4H7NO,85.1,85.05276385,0.3,44,70,0,1,2,1,6,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Propylamine, 3-chloro-N,N-diethyl-, hydrochloride",4535-85-7,145749,"3-chloro-N,N-diethylpropan-1-amine;hydrochloride",CCN(CC)CCCCl.Cl,"InChI=1S/C7H16ClN.ClH/c1-3-9(4-2)7-5-6-8;/h3-7H2,1-2H3;1H",FBDKONZGCAAZJK-UHFFFAOYSA-N,C7H17Cl2N,186.12,185.0738049,,3.2,52,0,1,1,5,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Stannane, bis(octanoyloxy)di-n-butyl-",4731-77-5,16683953,[dibutyl(octanoyloxy)stannyl] octanoate,CCCCCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCC,"InChI=1S/2C8H16O2.2C4H9.Sn/c2*1-2-3-4-5-6-7-8(9)10;2*1-3-4-2;/h2*2-7H2,1H3,(H,9,10);2*1,3-4H2,2H3;/q;;;;+2/p-2",NBJODVYWAQLZOC-UHFFFAOYSA-L,C24H48O4Sn,519.3,520.257463,,52.6,374,0,0,4,22,29,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Alanine, 3-ethylthiocarbamoyl-, L-",4909-58-4,21016,2-amino-4-(ethylsulfanylamino)-4-oxobutanoic acid,CCSNC(=O)CC(C(=O)O)N,"InChI=1S/C6H12N2O3S/c1-2-12-8-5(9)3-4(7)6(10)11/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11)",QGTLKVBLZFMYIQ-UHFFFAOYSA-N,C6H12N2O3S,192.24,192.0568634,-2.2,118,174,0,3,5,5,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"3,6,9,12,15,18-Hexaoxaoctacosan-1-ol",5168-89-8,165293,2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol,CCCCCCCCCCOCCOCCOCCOCCOCCOCCO,"InChI=1S/C22H46O7/c1-2-3-4-5-6-7-8-9-11-24-13-15-26-17-19-28-21-22-29-20-18-27-16-14-25-12-10-23/h23H,2-22H2,1H3",GLGQRQQFWLTGES-UHFFFAOYSA-N,C22H46O7,422.6,422.3243538,3.3,75.6,280,0,1,7,26,29,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Sulfonium, (carbethoxymethyl)dimethyl-, bromide",5187-82-6,78861,(2-ethoxy-2-oxoethyl)-dimethylsulfanium bromide,CCOC(=O)C[S+](C)C.[Br-],"InChI=1S/C6H13O2S.BrH/c1-4-8-6(7)5-9(2)3;/h4-5H2,1-3H3;1H/q+1;/p-1",JXFPTJYKYKVENJ-UHFFFAOYSA-M,C6H13BrO2S,229.14,227.98196,,27.3,91,0,0,3,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Valeric acid, 5-cyano-",5264-33-5,199926,5-cyanopentanoic acid,C(CCC(=O)O)CC#N,"InChI=1S/C6H9NO2/c7-5-3-1-2-4-6(8)9/h1-4H2,(H,8,9)",SKUPALMUTWEAPI-UHFFFAOYSA-N,C6H9NO2,127.14,127.0633285,0.1,61.1,133,0,1,3,4,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphonic acid, ethyl-, ethyl methyl ester",5301-65-5,79183,1-[ethyl(methoxy)phosphoryl]oxyethane,CCOP(=O)(CC)OC,"InChI=1S/C5H13O3P/c1-4-8-9(6,5-2)7-3/h4-5H2,1-3H3",GYWPLJQMSDXQDK-UHFFFAOYSA-N,C5H13O3P,152.13,152.0602313,0.2,35.5,113,0,0,3,4,9,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Di-sec-butylamine, N-nitroso-",5350-17-4,21447,"N,N-di(butan-2-yl)nitrous amide",CCC(C)N(C(C)CC)N=O,"InChI=1S/C8H18N2O/c1-5-7(3)10(9-11)8(4)6-2/h7-8H,5-6H2,1-4H3",FXKDQKMIRMWEBC-UHFFFAOYSA-N,C8H18N2O,158.24,158.1419132,2.8,32.7,107,0,0,3,4,11,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Plumbane, acetoxytrimethyl-",5711-19-3,16683281,trimethylplumbyl acetate,CC(=O)O[Pb](C)(C)C,"InChI=1S/C2H4O2.3CH3.Pb/c1-2(3)4;;;;/h1H3,(H,3,4);3*1H3;/q;;;;+1/p-1",WWMVIEUWJUEIKF-UHFFFAOYSA-M,C5H12O2Pb,311,312.06038,,26.3,93,0,0,2,2,8,,,1,1,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"Methanearsonic acid, calcium salt (2:1)",5902-95-4,73555192,calcium hydroxy(methyl)arsinate,C[As](=O)(O)[O-].C[As](=O)(O)[O-].[Ca+2],"InChI=1S/2CH5AsO3.Ca/c2*1-2(3,4)5;/h2*1H3,(H2,3,4,5);/q;;+2/p-2",PKOMXLRKGNITKG-UHFFFAOYSA-L,C2H8As2CaO6,318,317.83787,,121,59,0,2,6,0,11,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Glycine, N-(carboxymethyl)-N-(phosphonomethyl)-",5994-61-6,80092,2-[carboxymethyl(phosphonomethyl)amino]acetic acid,C(C(=O)O)N(CC(=O)O)CP(=O)(O)O,"InChI=1S/C5H10NO7P/c7-4(8)1-6(2-5(9)10)3-14(11,12)13/h1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)",AZIHIQIVLANVKD-UHFFFAOYSA-N,C5H10NO7P,227.11,227.0194887,-4.6,135,255,0,4,8,6,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Diocytlamine, N-nitroso-",6335-97-3,22803,"N,N-dioctylnitrous amide",CCCCCCCCN(CCCCCCCC)N=O,"InChI=1S/C16H34N2O/c1-3-5-7-9-11-13-15-18(17-19)16-14-12-10-8-6-4-2/h3-16H2,1-2H3",FLYCLWANFMDRKT-UHFFFAOYSA-N,C16H34N2O,270.45,270.2671137,7,32.7,170,0,0,3,14,19,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Butanedioic acid, 2,3-dihydroxy-, (2R,3R)-, antimony(3+) potassium salt (1:1:1)",6535-15-5,56841773,"potassium;antimony(3+);(2R,3R)-2,3-dihydroxybutanedioate",[C@@H]([C@H](C(=O)[O-])O)(C(=O)[O-])O.[K+].[Sb+3],"InChI=1S/C4H6O6.K.Sb/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;/q;+1;+3/p-2/t1-,2-;;/m1../s1",QUVRLGMVTJUDQR-OLXYHTOASA-L,C4H4KO6Sb+2,308.93,307.86831,,121,123,2,2,6,1,12,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Carbamic acid, cyanoacetyl-, ethyl ester",4/5/29,23112,ethyl N-(2-cyanoacetyl)carbamate,CCOC(=O)NC(=O)CC#N,"InChI=1S/C6H8N2O3/c1-2-11-6(10)8-5(9)3-4-7/h2-3H2,1H3,(H,8,9,10)",HSOGVWWWGVFXGF-UHFFFAOYSA-N,C6H8N2O3,156.14,156.0534921,0,79.2,203,0,1,4,3,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethanol, 2,2'-((3-(N-(2-hydroxyethyl)-N-octadecylamino)propyl)imino)di-, dihydrofluoride",6818-37-7,23257,2-[3-[bis(2-hydroxyethyl)amino]propyl-octadecylamino]ethanol;dihydrofluoride,CCCCCCCCCCCCCCCCCCN(CCCN(CCO)CCO)CCO.F.F,"InChI=1S/C27H58N2O3.2FH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28(22-25-30)20-18-21-29(23-26-31)24-27-32;;/h30-32H,2-27H2,1H3;2*1H",ZVVSSOQAYNYNPP-UHFFFAOYSA-N,C27H60F2N2O3,498.8,498.4572001,,67.2,339,0,5,7,27,34,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Propanethiol, 3-amino-, hydrochloride",7211-54-3,197870,3-aminopropane-1-thiol;hydrochloride,C(CN)CS.Cl,"InChI=1S/C3H9NS.ClH/c4-2-1-3-5;/h5H,1-4H2;1H",GMEDUXHKSSWXSL-UHFFFAOYSA-N,C3H10ClNS,127.64,127.0222482,,27,16,0,3,2,2,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Crotonic acid, butyl ester",7299-91-4,5366039,butyl (E)-but-2-enoate,CCCCOC(=O)/C=C/C,"InChI=1S/C8H14O2/c1-3-5-7-10-8(9)6-4-2/h4,6H,3,5,7H2,1-2H3/b6-4+",GWCTUKHUBWMAMI-GQCTYLIASA-N,C8H14O2,142.2,142.0993797,2.6,26.3,116,0,0,2,5,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"Hydrazine, methyl-, hydrochloride",7339-53-9,81793,methylhydrazine;hydrochloride,CNN.Cl,"InChI=1S/CH6N2.ClH/c1-3-2;/h3H,2H2,1H3;1H",GIKDYMRZQQJQFB-UHFFFAOYSA-N,CH7ClN2,82.53,82.0297759,,38.1,2,0,3,2,0,4,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, N-(2-chloroethyl)-",7355-58-0,81815,N-(2-chloroethyl)acetamide,CC(=O)NCCCl,"InChI=1S/C4H8ClNO/c1-4(7)6-3-2-5/h2-3H2,1H3,(H,6,7)",HSKNJSHFPPHTAQ-UHFFFAOYSA-N,C4H8ClNO,121.56,121.0294416,0.1,29.1,64,0,1,1,2,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"Hexanoic acid, 2-ethyl-, 1,2,3-propanetriyl ester",7360-38-5,110973,"2,3-bis(2-ethylhexanoyloxy)propyl 2-ethylhexanoate",CCCCC(CC)C(=O)OCC(COC(=O)C(CC)CCCC)OC(=O)C(CC)CCCC,"InChI=1S/C27H50O6/c1-7-13-16-21(10-4)25(28)31-19-24(33-27(30)23(12-6)18-15-9-3)20-32-26(29)22(11-5)17-14-8-2/h21-24H,7-20H2,1-6H3",DGSZGZSCHSQXFV-UHFFFAOYSA-N,C27H50O6,470.7,470.3607393,8.5,78.9,501,0,0,6,23,33,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Sorbic acid, sodium salt",7757-81-5,23665582,"sodium (2E,4E)-hexa-2,4-dienoate",C/C=C/C=C/C(=O)[O-].[Na+],"InChI=1S/C6H8O2.Na/c1-2-3-4-5-6(7)8;/h2-5H,1H3,(H,7,8);/q;+1/p-1/b3-2+,5-4+;",LROWVYNUWKVTCU-STWYSWDKSA-M,C6H7NaO2,134.11,134.0343737,,40.1,127,0,0,2,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Ammonium iron(II) sulfate, hexahydrate (2:1:2:6)",7783-85-9,15942308,diazanium;iron(2+);disulfate;hexahydrate,[NH4+].[NH4+].O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Fe+2],"InChI=1S/Fe.2H3N.2H2O4S.6H2O/c;;;2*1-5(2,3)4;;;;;;/h;2*1H3;2*(H2,1,2,3,4);6*1H2/q+2;;;;;;;;;;/p-2",MQLVWQSVRZVNIP-UHFFFAOYSA-L,FeH20N2O14S2,392.1,391.970531,,185,62,0,8,14,0,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propane, 1,3,3-triethoxy-",7789-92-6,24624,"1,1,3-triethoxypropane",CCOCCC(OCC)OCC,"InChI=1S/C9H20O3/c1-4-10-8-7-9(11-5-2)12-6-3/h9H,4-8H2,1-3H3",LGICWIVABSMSDK-UHFFFAOYSA-N,C9H20O3,176.25,176.1412445,1.4,27.7,79,0,0,3,8,12,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
Synthane (plastic),9010-23-5,45075664,"1,1,2,2,3,3-hexafluoro-1-(trifluoromethoxy)propane",C(C(C(OC(F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C4HF9O/c5-1(6)2(7,8)3(9,10)14-4(11,12)13/h1H",GGGJFCBJUNVNMG-UHFFFAOYSA-N,C4HF9O,236.04,235.9883681,3.6,9.2,193,0,0,10,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Sulfuric acid, nickel(2+) salt (1:1), heptahydrate",10101-98-1,61474,nickel(2+);sulfate;heptahydrate,O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Ni+2],"InChI=1S/Ni.H2O4S.7H2O/c;1-5(2,3)4;;;;;;;/h;(H2,1,2,3,4);7*1H2/q+2;;;;;;;;/p-2",OGKAGKFVPCOHQW-UHFFFAOYSA-L,H14NiO11S,280.87,279.961024,,95.6,62,0,7,11,0,13,,,1,0,1,1,0,1,1,0,0,0,1,0,0,1,1,0,1,1,1,0
"Butane, 1,1,3-trimethoxy-",10138-89-3,24994,"1,1,3-trimethoxybutane",CC(CC(OC)OC)OC,"InChI=1S/C7H16O3/c1-6(8-2)5-7(9-3)10-4/h6-7H,5H2,1-4H3",OMAKZNALRADTRX-UHFFFAOYSA-N,C7H16O3,148.2,148.1099444,0.7,27.7,71,0,0,3,5,10,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Ethanol, 2-(2-((2-methylpentyl)oxy)ethoxy)-",10143-56-3,25009,2-[2-(2-methylpentoxy)ethoxy]ethanol,CCCC(C)COCCOCCO,"InChI=1S/C10H22O3/c1-3-4-10(2)9-13-8-7-12-6-5-11/h10-11H,3-9H2,1-2H3",LSCNICLUNGUIRB-UHFFFAOYSA-N,C10H22O3,190.28,190.1568946,1.5,38.7,96,0,1,3,9,13,,,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-Undecynoic acid, methyl ester",10522-18-6,61524,methyl undec-2-ynoate,CCCCCCCCC#CC(=O)OC,"InChI=1S/C12H20O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-9H2,1-2H3",YPUZOJRRZPRXNV-UHFFFAOYSA-N,C12H20O2,196.29,196.1463299,4.8,26.3,207,0,0,2,7,14,,230.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propanol, 1-(1,1-dimethylethoxy)-3-methoxy-",13021-53-9,3084129,1-methoxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol,CC(C)(C)OCC(COC)O,"InChI=1S/C8H18O3/c1-8(2,3)11-6-7(9)5-10-4/h7,9H,5-6H2,1-4H3",KCCPBJDUXBCOSN-UHFFFAOYSA-N,C8H18O3,162.23,162.1255944,0.3,38.7,96,0,1,3,5,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Platinum(II), tetraammine-, dichloride",13933-32-9,56840903,azanide;platinum(2+);dichloride,[NH2-].[NH2-].[NH2-].[NH2-].[Cl-].[Cl-].[Pt+2],InChI=1S/2ClH.4H2N.Pt/h2*1H;4*1H2;/q;;4*-1;+2/p-2,PDJBCBKQQFANPW-UHFFFAOYSA-L,Cl2H8N4Pt-4,330.08,328.977396,,4,3,-4,4,6,0,7,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"9-Octadecenoic acid, (9Z)-, compd. with 2,2'-iminobis(ethanol) (1:1)",13961-86-9,6433588,2-(2-hydroxyethylamino)ethanol;(Z)-octadec-9-enoic acid,CCCCCCCC/C=C\CCCCCCCC(=O)O.C(CO)NCCO,"InChI=1S/C18H34O2.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;6-3-1-5-2-4-7/h9-10H,2-8,11-17H2,1H3,(H,19,20);5-7H,1-4H2/b10-9-;",KQHZEKNQJJSVDN-KVVVOXFISA-N,C22H45NO4,387.6,387.3348589,,89.8,262,0,4,5,19,27,,,0,0,1,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,1,0
"Cadmium, bis(diethyldithiocarbamato)-",14239-68-0,5284357,"cadmium(2+);bis(N,N-diethylcarbamodithioate)",CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].[Cd+2],"InChI=1S/2C5H11NS2.Cd/c2*1-3-6(4-2)5(7)8;/h2*3-4H2,1-2H3,(H,7,8);/q;;+2/p-2",QQOALHQRKUYNIC-UHFFFAOYSA-L,C10H20CdN2S4,409,409.954298,,72.7,73,0,0,4,4,17,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"Acetamide, 2,2'-thiobis-",14618-65-6,26768,2-(2-amino-2-oxoethyl)sulfanylacetamide,C(C(=O)N)SCC(=O)N,"InChI=1S/C4H8N2O2S/c5-3(7)1-9-2-4(6)8/h1-2H2,(H2,5,7)(H2,6,8)",KQNFZEVUCSXNTH-UHFFFAOYSA-N,C4H8N2O2S,148.19,148.0306487,-1.2,111,112,0,2,3,4,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Perchloric acid, ion(1-)",14797-73-0,123351,perchlorate,[O-]Cl(=O)(=O)=O,"InChI=1S/ClHO4/c2-1(3,4)5/h(H,2,3,4,5)/p-1",VLTRZXGMWDSKGL-UHFFFAOYSA-M,ClO4-,99.45,98.9485112,2.2,74.3,95,-1,0,4,0,5,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acrolein, 2-bromo-",14925-39-4,26969,2-bromoprop-2-enal,C=C(C=O)Br,"InChI=1S/C3H3BrO/c1-3(4)2-5/h2H,1H2",MDSPECLCFVWIGQ-UHFFFAOYSA-N,C3H3BrO,134.96,133.93673,1.2,17.1,57,0,0,1,1,5,,,1,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1-Propene, pentamer",15220-87-8,203799,prop-1-ene,CC=C.CC=C.CC=C.CC=C.CC=C,"InChI=1S/5C3H6/c5*1-3-2/h5*3H,1H2,2H3",RQFVHGAXCJVPBZ-UHFFFAOYSA-N,C15H30,210.4,210.234751,,0,7,0,0,0,0,15,,,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-Ethanediamine, hydrochloride",15467-15-9,458598,"ethane-1,2-diamine;hydrochloride",C(CN)N.Cl,InChI=1S/C2H8N2.ClH/c3-1-2-4;/h1-4H2;1H,HCFPRFJJTHMING-UHFFFAOYSA-N,C2H9ClN2,96.56,96.045426,,52,6,0,3,2,1,5,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,1,0,1,1,0,1
"Butyramide, 4-nitro-",15473-27-5,27314,4-nitrobutanamide,C(CC(=O)N)C[N+](=O)[O-],"InChI=1S/C4H8N2O3/c5-4(7)2-1-3-6(8)9/h1-3H2,(H2,5,7)",CUSYXOQIPLRISK-UHFFFAOYSA-N,C4H8N2O3,132.12,132.0534921,-0.8,88.9,117,0,1,3,3,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Glyceraldehyde, 2-mercapto-",15890-66-1,204174,3-hydroxy-2-sulfanylpropanal,C(C(C=O)S)O,"InChI=1S/C3H6O2S/c4-1-3(6)2-5/h1,3,5-6H,2H2",KFXMMDJTEXOROR-UHFFFAOYSA-N,C3H6O2S,106.15,106.0088506,-0.6,38.3,46,0,2,3,2,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Platinate(2-), hexaiodo-, dipotassium",16905-14-9,159799,dipotassium;platinum(4+);hexaiodide,[K+].[K+].[I-].[I-].[I-].[I-].[I-].[I-].[Pt+4],InChI=1S/6HI.2K.Pt/h6*1H;;;/q;;;;;;2*+1;+4/p-6,BNJBUDJCJPWKRQ-UHFFFAOYSA-H,I6K2Pt,1034.71,1034.319,,0,0,0,0,6,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Cadmium fluosilicate,17010-21-8,197153,cadmium(2+);silicon(4+);hexafluoride,[F-].[F-].[F-].[F-].[F-].[F-].[Si+4].[Cd+2],InChI=1S/Cd.6FH.Si/h;6*1H;/q+2;;;;;;;+4/p-6,IQBPNJJDIXBFNB-UHFFFAOYSA-H,CdF6Si,254.49,255.870711,,0,0,0,0,6,0,8,,,1,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"Ethanol, 2-(methylnitroamino)-, nitrate",17096-47-8,28279,2-[methyl(nitro)amino]ethyl nitrate,CN(CCO[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C3H7N3O5/c1-4(5(7)8)2-3-11-6(9)10/h2-3H2,1H3",XYKVWCZODOKFIK-UHFFFAOYSA-N,C3H7N3O5,165.11,165.0385703,0.9,104,148,0,0,6,3,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Propionitrile, 3-(bis(2-hydroxyethyl)amino)-",17209-72-2,96132,3-[bis(2-hydroxyethyl)amino]propanenitrile,C(CN(CCO)CCO)C#N,"InChI=1S/C7H14N2O2/c8-2-1-3-9(4-6-10)5-7-11/h10-11H,1,3-7H2",ZSIRWYMANRZZPE-UHFFFAOYSA-N,C7H14N2O2,158.2,158.1055277,-1.4,67.5,124,0,2,4,6,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphonic acid, (iminobis(methylene))bis-",17261-34-6,176915,(phosphonomethylamino)methylphosphonic acid,C(NCP(=O)(O)O)P(=O)(O)O,"InChI=1S/C2H9NO6P2/c4-10(5,6)1-3-2-11(7,8)9/h3H,1-2H2,(H2,4,5,6)(H2,7,8,9)",ISQSUCKLLKRTBZ-UHFFFAOYSA-N,C2H9NO6P2,205.04,204.990511,-5.9,127,181,0,5,7,4,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Malonic acid, 2-propynyl-, diethyl ester",17920-23-9,28835,diethyl 2-prop-2-ynylpropanedioate,CCOC(=O)C(CC#C)C(=O)OCC,"InChI=1S/C10H14O4/c1-4-7-8(9(11)13-5-2)10(12)14-6-3/h1,8H,5-7H2,2-3H3",FKXOELIKVUIBLP-UHFFFAOYSA-N,C10H14O4,198.22,198.0892089,1.4,52.6,230,0,0,4,7,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Formic acid, chlorothio-, S-methyl ester",18369-83-0,17772,S-methyl chloromethanethioate,CSC(=O)Cl,InChI=1S/C2H3ClOS/c1-5-2(3)4/h1H3,YPSUCTSXOROPBS-UHFFFAOYSA-N,C2H3ClOS,110.56,109.9593136,1.7,42.4,44,0,0,2,1,5,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"Butyronitrile, 2-methyl-",18936-17-9,29339,2-methylbutanenitrile,CCC(C)C#N,"InChI=1S/C5H9N/c1-3-5(2)4-6/h5H,3H2,1-2H3",RCEJCSULJQNRQQ-UHFFFAOYSA-N,C5H9N,83.13,83.07349929,1.1,23.8,67,0,0,1,1,6,,,0,1,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Ammonium, hexadecyltrimethyl-, borohydride",19710-01-1,6328202,,[B-].CCCCCCCCCCCCCCCC[N+](C)(C)C,"InChI=1S/C19H42N.B/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;/q+1;-1",AESPEGSWZNDHIP-UHFFFAOYSA-N,C19H42BN,295.4,295.3410305,,0,181,0,0,1,15,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Methanesulfonamide, 1-chloro-",21335-43-3,167979,chloromethanesulfonamide,C(S(=O)(=O)N)Cl,"InChI=1S/CH4ClNO2S/c2-1-6(3,4)5/h1H2,(H2,3,4,5)",AVXHCUKQISJQBN-UHFFFAOYSA-N,CH4ClNO2S,129.57,128.9651272,-0.4,68.5,110,0,1,3,1,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acryloyl chloride, 2-chloro-",21369-76-6,30608,2-chloroprop-2-enoyl chloride,C=C(C(=O)Cl)Cl,InChI=1S/C3H2Cl2O/c1-2(4)3(5)6/h1H2,XOTUAMWIFRDGMZ-UHFFFAOYSA-N,C3H2Cl2O,124.95,123.9482701,2.2,17.1,86,0,0,1,1,6,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
"Guanidine, octyl-, sulfate (2:1)",21409-35-8,71311183,bis(2-octylguanidine);sulfuric acid,CCCCCCCCN=C(N)N.CCCCCCCCN=C(N)N.OS(=O)(=O)O,"InChI=1S/2C9H21N3.H2O4S/c2*1-2-3-4-5-6-7-8-12-9(10)11;1-5(2,3)4/h2*2-8H2,1H3,(H4,10,11,12);(H2,1,2,3,4)",DTTVLDRWEFQROK-UHFFFAOYSA-N,C18H44N6O4S,440.6,440.3144751,,212,198,0,6,6,14,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Crotonaldehyde, thiosemicarbazone",22113-96-8,9570369,[(E)-[(E)-but-2-enylidene]amino]thiourea,C/C=C/C=N/NC(=S)N,"InChI=1S/C5H9N3S/c1-2-3-4-7-8-5(6)9/h2-4H,1H3,(H3,6,8,9)/b3-2+,7-4+",OWTTWSQTSRNFHY-AOGGBPEJSA-N,C5H9N3S,143.21,143.0517185,0.4,82.5,139,0,2,2,2,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-Hexenylamine, 1,5-dimethyl-",22462-79-9,31179,6-methylhept-5-en-2-amine,CC(CCC=C(C)C)N,"InChI=1S/C8H17N/c1-7(2)5-4-6-8(3)9/h5,8H,4,6,9H2,1-3H3",LINQVIAARQIDQJ-UHFFFAOYSA-N,C8H17N,127.23,127.1360995,2,26,90,0,1,1,3,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphonic acid, (2-hydroxyethyl)-",22987-21-9,89954,2-hydroxyethylphosphonic acid,C(CP(=O)(O)O)O,"InChI=1S/C2H7O4P/c3-1-2-7(4,5)6/h3H,1-2H2,(H2,4,5,6)",SEHJHHHUIGULEI-UHFFFAOYSA-N,C2H7O4P,126.05,126.0081957,-2.3,77.8,83,0,3,4,2,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"4-Pentynoic acid, 2-amino-, (2R)-",23235-03-2,6992713,(2R)-2-aminopent-4-ynoic acid,C#CC[C@H](C(=O)O)N,"InChI=1S/C5H7NO2/c1-2-3-4(6)5(7)8/h1,4H,3,6H2,(H,7,8)/t4-/m1/s1",DGYHPLMPMRKMPD-SCSAIBSYSA-N,C5H7NO2,113.11,113.0476785,-2.8,63.3,133,0,2,3,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"2,7-Octadien-1-ol",23578-51-0,32012,"octa-2,7-dien-1-ol",C=CCCCC=CCO,"InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h2,6-7,9H,1,3-5,8H2",YHYGSIBXYYKYFB-UHFFFAOYSA-N,C8H14O,126.2,126.1044651,2,20.2,84,0,1,1,5,9,,,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Crotonaldehyde, 2-bromo-",24247-53-8,6433836,(Z)-2-bromobut-2-enal,C/C=C(/C=O)\Br,"InChI=1S/C4H5BrO/c1-2-4(5)3-6/h2-3H,1H3/b4-2-",DOZLVLCBCZGSSH-RQOWECAXSA-N,C4H5BrO,148.99,147.95238,1.4,17.1,75,0,0,1,1,6,,,0,0,1,1,0,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0
"Thiocyanic acid, 2-propynyl ester",24309-48-6,123411,3-isothiocyanatoprop-1-yne,C#CCN=C=S,"InChI=1S/C4H3NS/c1-2-3-5-4-6/h1H,3H2",XCXOHPXTLZMKQJ-UHFFFAOYSA-N,C4H3NS,97.14,96.99862027,1.9,44.5,113,0,0,2,1,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Stannane, bis(tetradecanoyloxy)dibutyl-",28660-67-5,16683336,[dibutyl(tetradecanoyloxy)stannyl] tetradecanoate,CCCCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1S/2C14H28O2.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;2*1-3-4-2;/h2*2-13H2,1H3,(H,15,16);2*1,3-4H2,2H3;/q;;;;+2/p-2",CSCQRXVSACSECP-UHFFFAOYSA-L,C36H72O4Sn,687.7,688.445263,,52.6,530,0,0,4,34,41,,,1,0,0,1,0,0,1,1,0,0,1,0,0,1,0,0,1,1,1,1
"Acrylic acid, 3-hydroxy-2-methyl-, methyl ester, ester with dimethyl phosphorothioate",30864-28-9,3034435,methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate,C/C(=C\OP(=S)(OC)OC)/C(=O)OC,"InChI=1S/C7H13O5PS/c1-6(7(8)9-2)5-12-13(14,10-3)11-4/h5H,1-4H3/b6-5+",NTAHCMPOMKHKEU-AATRIKPKSA-N,C7H13O5PS,240.22,240.0221317,1.9,86.1,267,0,0,6,6,14,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Stannane, bis(isooctyloxymaleoyloxy)dioctyl-",33568-99-9,16684186,4-O-[[(E)-4-(6-methylheptoxy)-4-oxobut-2-enoyl]oxy-dioctylstannyl] 1-O-(6-methylheptyl) (E)-but-2-enedioate,CCCCCCCC[Sn](OC(=O)/C=C/C(=O)OCCCCCC(C)C)(OC(=O)/C=C/C(=O)OCCCCCC(C)C)CCCCCCCC,"InChI=1S/2C12H20O4.2C8H17.Sn/c2*1-10(2)6-4-3-5-9-16-12(15)8-7-11(13)14;2*1-3-5-7-8-6-4-2;/h2*7-8,10H,3-6,9H2,1-2H3,(H,13,14);2*1,3-8H2,2H3;/q;;;;+2/p-2/b2*8-7+;;;",XITDVRBPGQGVFK-FTHVFMQUSA-L,C40H72O8Sn,799.7,800.424922,,105,853,0,0,8,36,49,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"Ethanethiol, 2-(methylamino)-, hydrochloride",33744-33-1,214693,2-(methylamino)ethanethiol;hydrochloride,CNCCS.Cl,"InChI=1S/C3H9NS.ClH/c1-4-2-3-5;/h4-5H,2-3H2,1H3;1H",DFKDEYQSJVMWHX-UHFFFAOYSA-N,C3H10ClNS,127.64,127.0222482,,13,16,0,3,2,2,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Octylamine, N-methyl-N-nitroso-",34423-54-6,36828,N-methyl-N-octylnitrous amide,CCCCCCCCN(C)N=O,"InChI=1S/C9H20N2O/c1-3-4-5-6-7-8-9-11(2)10-12/h3-9H2,1-2H3",CCSLOEMFOMJAFM-UHFFFAOYSA-N,C9H20N2O,172.27,172.1575633,3.6,32.7,107,0,0,3,7,12,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propanamide, 2-hydroxy-N,N-dimethyl-",35123-06-9,98053,"2-hydroxy-N,N-dimethylpropanamide",CC(C(=O)N(C)C)O,"InChI=1S/C5H11NO2/c1-4(7)5(8)6(2)3/h4,7H,1-3H3",YEBLAXBYYVCOLT-UHFFFAOYSA-N,C5H11NO2,117.15,117.0789786,-0.5,40.5,90,0,1,2,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Cobaltate(2-), ((N,N'-1,2-ethanediylbis(N-(carboxymethyl)glycinato))(4-)-N,N',O,O',O(sup N),O(sup N'))-, cobalt(2+) (1:1), (OC-6-21)",36499-65-7,71942,2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;bis(cobalt(2+)),C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Co+2].[Co+2],"InChI=1S/C10H16N2O8.2Co/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;/q;2*+2/p-4",TWAWHTJKASJPEK-UHFFFAOYSA-J,C10H12Co2N2O8,406.08,405.925752,,167,293,0,0,10,7,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"3,6,9,12-Tetraoxahexacosan-1-ol",39034-24-7,4649131,2-[2-[2-(2-tetradecoxyethoxy)ethoxy]ethoxy]ethanol,CCCCCCCCCCCCCCOCCOCCOCCOCCO,"InChI=1S/C22H46O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-24-17-19-26-21-22-27-20-18-25-16-14-23/h23H,2-22H2,1H3",OARYCGKAYBBHAM-UHFFFAOYSA-N,C22H46O5,390.6,390.3345246,5.7,57.2,251,0,1,5,24,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ammonium, iodomethyltrimethyl-, iodide",39741-91-8,38328,iodomethyl(trimethyl)azanium iodide,C[N+](C)(C)CI.[I-],"InChI=1S/C4H11IN.HI/c1-6(2,3)4-5;/h4H2,1-3H3;1H/q+1;/p-1",IFVIWWQMNYZYFQ-UHFFFAOYSA-M,C4H11I2N,326.95,326.89809,,0,37,0,0,1,1,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hydrazinecarboxamide, N,N-dimethyl-",40685-92-5,312376,"3-amino-1,1-dimethylurea",CN(C)C(=O)NN,"InChI=1S/C3H9N3O/c1-6(2)3(7)5-4/h4H2,1-2H3,(H,5,7)",PGLFGNJUOPLFLV-UHFFFAOYSA-N,C3H9N3O,103.12,103.0745619,-1.6,58.4,70,0,2,2,0,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Barium polysulfide,50864-67-0,155907859,,[S-]SSS[S-].[Ba+2],InChI=1S/Ba.H2S5/c;1-3-5-4-2/h;1-2H/q+2;/p-2,MBAUUUWPHOQTOI-UHFFFAOYSA-L,BaS5,297.7,297.765603,,77.9,7,0,0,5,0,6,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Butanamide, N,2,3-trimethyl-2-(1-methylethyl)-",51115-67-4,65300,"N,2,3-trimethyl-2-propan-2-ylbutanamide",CC(C)C(C)(C(C)C)C(=O)NC,"InChI=1S/C10H21NO/c1-7(2)10(5,8(3)4)9(12)11-6/h7-8H,1-6H3,(H,11,12)",RWAXQWRDVUOOGG-UHFFFAOYSA-N,C10H21NO,171.28,171.1623143,2.5,29.1,153,0,1,1,3,12,,233.00 to 234.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphoramidic acid, hexyl-, diethyl ester",53247-00-0,97166,N-diethoxyphosphorylhexan-1-amine,CCCCCCNP(=O)(OCC)OCC,"InChI=1S/C10H24NO3P/c1-4-7-8-9-10-11-15(12,13-5-2)14-6-3/h4-10H2,1-3H3,(H,11,12)",BWMOLFZIUSUNAV-UHFFFAOYSA-N,C10H24NO3P,237.28,237.1493806,2.3,47.6,178,0,1,4,10,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propanoic acid, 2-hydroxy-, propyl ester, (2S)-",53651-69-7,2734942,propyl (2S)-2-hydroxypropanoate,CCCOC(=O)[C@H](C)O,"InChI=1S/C6H12O3/c1-3-4-9-6(8)5(2)7/h5,7H,3-4H2,1-2H3/t5-/m0/s1",ILVGAIQLOCKNQA-YFKPBYRVSA-N,C6H12O3,132.16,132.0786442,0.8,46.5,90,0,1,3,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"5-Hexynoic acid, 4-amino-",57659-38-8,3452,4-aminohex-5-ynoic acid,C#CC(CCC(=O)O)N,"InChI=1S/C6H9NO2/c1-2-5(7)3-4-6(8)9/h1,5H,3-4,7H2,(H,8,9)",BJNIHWSOVCDBHS-UHFFFAOYSA-N,C6H9NO2,127.14,127.0633285,-3,63.3,144,0,2,3,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Penten-3-one, 1-chloro-, (E)-",58953-12-1,6446068,(E)-1-chloropent-1-en-3-one,CCC(=O)/C=C/Cl,"InChI=1S/C5H7ClO/c1-2-5(7)3-4-6/h3-4H,2H2,1H3/b4-3+",CFMFGANUEMXVTA-ONEGZZNKSA-N,C5H7ClO,118.56,118.0185425,1.3,17.1,86,0,0,1,2,7,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Stannane, bis(methoxymaleoyloxy)dioctyl-",60494-19-1,16684123,4-O-[[(Z)-4-methoxy-4-oxobut-2-enoyl]oxy-dioctylstannyl] 1-O-methyl (Z)-but-2-enedioate,CCCCCCCC[Sn](OC(=O)/C=C\C(=O)OC)(OC(=O)/C=C\C(=O)OC)CCCCCCCC,"InChI=1S/2C8H17.2C5H6O4.Sn/c2*1-3-5-7-8-6-4-2;2*1-9-5(8)3-2-4(6)7;/h2*1,3-8H2,2H3;2*2-3H,1H3,(H,6,7);/q;;;;+2/p-2/b;;2*3-2-;",UAYQUQDGJRIIMK-KYQHOYOTSA-L,C26H44O8Sn,603.3,604.205821,,105,629,0,0,8,24,35,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
"Acetic acid, 2,2'-dithiobis-, bis(2-ethylhexyl) ester",62268-47-7,2762541,2-ethylhexyl 2-[[2-(2-ethylhexoxy)-2-oxoethyl]disulfanyl]acetate,CCCCC(CC)COC(=O)CSSCC(=O)OCC(CC)CCCC,"InChI=1S/C20H38O4S2/c1-5-9-11-17(7-3)13-23-19(21)15-25-26-16-20(22)24-14-18(8-4)12-10-6-2/h17-18H,5-16H2,1-4H3",YREDCFUZMPDCSM-UHFFFAOYSA-N,C20H38O4S2,406.6,406.221152,7,103,330,0,0,6,19,26,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Phosphinecarboxylic acid, dihydroxy-, oxide, trisodium salt",63585-09-1,44561,trisodium;phosphonatoformate,C(=O)([O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+],"InChI=1S/CH3O5P.3Na/c2-1(3)7(4,5)6;;;/h(H,2,3)(H2,4,5,6);;;/q;3*+1/p-3",DFHAXXVZCFXGOQ-UHFFFAOYSA-K,CNa3O5P,191.95,191.9176429,,103,103,0,0,5,0,10,,,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"Phosphorochloridothioic acid, dibutyl ester",64047-39-8,116387,dibutoxy-chloro-sulfanylidene-lambda5-phosphane,CCCCOP(=S)(OCCCC)Cl,"InChI=1S/C8H18ClO2PS/c1-3-5-7-10-12(9,13)11-8-6-4-2/h3-8H2,1-2H3",YQNUVUVGKIVWNY-UHFFFAOYSA-N,C8H18ClO2PS,244.72,244.0453657,4.5,50.6,152,0,0,3,8,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-Propanol, 3-(methylnitrosoamino)-",70415-59-7,125833,N-(3-hydroxypropyl)-N-methylnitrous amide,CN(CCCO)N=O,"InChI=1S/C4H10N2O2/c1-6(5-8)3-2-4-7/h7H,2-4H2,1H3",DNPICXVYNIZRFB-UHFFFAOYSA-N,C4H10N2O2,118.13,118.0742276,-0.1,52.9,67,0,1,4,3,8,,,0,0,0,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0
"Carbonochloridic acid, 3-methoxybutyl ester",75032-87-0,3018564,3-methoxybutyl carbonochloridate,CC(CCOC(=O)Cl)OC,"InChI=1S/C6H11ClO3/c1-5(9-2)3-4-10-6(7)8/h5H,3-4H2,1-2H3",NMDUDAGABXHCGU-UHFFFAOYSA-N,C6H11ClO3,166.6,166.0396719,1.8,35.5,105,0,0,3,5,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Tetradecylamine, N-methyl-N-nitroso-",75881-20-8,115083,N-methyl-N-tetradecylnitrous amide,CCCCCCCCCCCCCCN(C)N=O,"InChI=1S/C15H32N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(2)16-18/h3-15H2,1-2H3",CCTMZRHJDTTZRF-UHFFFAOYSA-N,C15H32N2O,256.43,256.2514636,6.9,32.7,174,0,0,3,13,18,,,0,0,0,1,0,1,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"Pentanoic acid, 2-propyl-, sodium salt (2:1)",76584-70-8,23663956,sodium;2-propylpentanoate;2-propylpentanoic acid,CCCC(CCC)C(=O)O.CCCC(CCC)C(=O)[O-].[Na+],"InChI=1S/2C8H16O2.Na/c2*1-3-5-7(6-4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+1/p-1",MSRILKIQRXUYCT-UHFFFAOYSA-M,C16H31NaO4,310.4,310.2120038,,77.4,192,0,1,4,10,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0
"1-Propanesulfonic acid, 3-(acetylamino)-, calcium salt (2:1)",77337-73-6,155434,calcium bis(3-acetamidopropane-1-sulfonate),CC(=O)NCCCS(=O)(=O)[O-].CC(=O)NCCCS(=O)(=O)[O-].[Ca+2],"InChI=1S/2C5H11NO4S.Ca/c2*1-5(7)6-3-2-4-11(8,9)10;/h2*2-4H2,1H3,(H,6,7)(H,8,9,10);/q;;+2/p-2",BUVGWDNTAWHSKI-UHFFFAOYSA-L,C10H20CaN2O8S2,400.5,400.0286988,,189,202,0,2,8,6,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphonic acid, (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-",80220-63-9,22630493,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecylphosphonic acid",C(CP(=O)(O)O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C10H6F17O3P/c11-3(12,1-2-31(28,29)30)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2H2,(H2,28,29,30)",CETXMCMQEXPPLV-UHFFFAOYSA-N,C10H6F17O3P,528.1,527.9783098,4.6,57.5,705,0,2,20,9,31,,,0,1,1,1,0,1,0,1,0,0,0,0,0,1,0,0,1,0,1,1
"Hydrazinium, 2-(2-carboxyethyl)-1,1,1-trimethyl-, inner salt, dihydrate",86426-17-7,6918082,3-[(trimethylazaniumyl)amino]propanoate;dihydrate,C[N+](C)(C)NCCC(=O)[O-].O.O,"InChI=1S/C6H14N2O2.2H2O/c1-8(2,3)7-5-4-6(9)10;;/h7H,4-5H2,1-3H3;2*1H2",JFWLFLLRLZSBRA-UHFFFAOYSA-N,C6H18N2O4,182.22,182.1266571,,54.2,112,0,3,5,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-Propanediol, 3-((2-hydroxyethyl)nitrosamino)-",89911-78-4,128977,"N-(2,3-dihydroxypropyl)-N-(2-hydroxyethyl)nitrous amide",C(CO)N(CC(CO)O)N=O,"InChI=1S/C5H12N2O4/c8-2-1-7(6-11)3-5(10)4-9/h5,8-10H,1-4H2",ZRVIKNOBHVPYAM-UHFFFAOYSA-N,C5H12N2O4,164.16,164.0797069,-1.8,93.4,111,0,3,6,5,11,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Octadecanoic acid, 12-((1-oxooctadecyl)oxy)-, 2-octyldodecyl ester",90052-75-8,174782,2-octyldodecyl 12-octadecanoyloxyoctadecanoate,CCCCCCCCCCCCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)OCC(CCCCCCCC)CCCCCCCCCC,"InChI=1S/C56H110O4/c1-5-9-13-17-20-22-23-24-25-26-27-28-34-39-45-51-56(58)60-54(48-42-16-12-8-4)49-43-37-32-29-30-33-38-44-50-55(57)59-52-53(46-40-35-19-15-11-7-3)47-41-36-31-21-18-14-10-6-2/h53-54H,5-52H2,1-4H3",XMFXBMLFOSSELI-UHFFFAOYSA-N,C56H110O4,847.5,846.840412,25.2,52.6,841,0,0,4,53,60,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphonic acid, (1-((((2-chloroethyl)nitrosoamino)carbonyl)amino)ethyl)-, diethyl ester",92118-27-9,104799,1-(2-chloroethyl)-3-(1-diethoxyphosphorylethyl)-1-nitrosourea,CCOP(=O)(C(C)NC(=O)N(CCCl)N=O)OCC,"InChI=1S/C9H19ClN3O5P/c1-4-17-19(16,18-5-2)8(3)11-9(14)13(12-15)7-6-10/h8H,4-7H2,1-3H3,(H,11,14)",YAKWPXVTIGTRJH-UHFFFAOYSA-N,C9H19ClN3O5P,315.69,315.0750854,0.9,97.3,334,0,1,6,8,19,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Guazatine,108173-90-6,3526,2-[8-[8-(diaminomethylideneamino)octylamino]octyl]guanidine,C(CCCCN=C(N)N)CCCNCCCCCCCCN=C(N)N,"InChI=1S/C18H41N7/c19-17(20)24-15-11-7-3-1-5-9-13-23-14-10-6-2-4-8-12-16-25-18(21)22/h23H,1-16H2,(H4,19,20,24)(H4,21,22,25)",RONFGUROBZGJKP-UHFFFAOYSA-N,C18H41N7,355.6,355.3423443,1.7,141,302,0,5,3,18,25,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphinic acid, (3-aminopropyl)butyl-",123690-78-8,130021,3-aminopropyl(butyl)phosphinic acid,CCCCP(=O)(CCCN)O,"InChI=1S/C7H18NO2P/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3,(H,9,10)",ONNMDRQRSGKZCN-UHFFFAOYSA-N,C7H18NO2P,179.2,179.1075158,-2.7,63.3,138,0,2,3,6,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,3-Propanetricarboxylic acid, 1,1'-((1S,2R)-1-((2S,4R,11S,12S)-12-amino-4,11-dihydroxy-2-methyltridecyl)-2-((1R)-1-methylpentyl)-1,2-ethanediyl) ester, (2R)-",136379-59-4,42608358,"(2R)-2-[2-[(5R,6R,7S,9S,11R,18S,19S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-11,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid",CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)C[C@@H](CCCCCC[C@@H]([C@H](C)N)O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O,"InChI=1S/C34H59NO14/c1-5-6-11-21(3)32(49-31(43)19-24(34(46)47)17-29(40)41)27(48-30(42)18-23(33(44)45)16-28(38)39)15-20(2)14-25(36)12-9-7-8-10-13-26(37)22(4)35/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)/t20-,21+,22-,23+,24+,25+,26-,27-,32+/m0/s1",CPCRJSQNWHCGOP-STOIETHLSA-N,C34H59NO14,705.8,705.3935556,0.8,268,1040,0,7,15,31,49,,,0,1,1,1,0,1,0,1,0,0,0,0,0,1,0,0,1,0,1,1
"Phosphonic acid, (3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-",252237-40-4,53756597,"3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylphosphonic acid",C(CP(=O)(O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C8H6F13O3P/c9-3(10,1-2-25(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2,(H2,22,23,24)",DEXIXSRZQUFPIK-UHFFFAOYSA-N,C8H6F13O3P,428.08,427.9846972,3.2,57.5,534,0,2,16,7,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Potassium antimony tartrate hydrate,331753-56-1,57348914,"potassium;antimony(3+);bis(2,3-dihydroxybutanedioate);hydrate",C(C(C(=O)[O-])O)(C(=O)[O-])O.C(C(C(=O)[O-])O)(C(=O)[O-])O.O.[K+].[Sb+3],"InChI=1S/2C4H6O6.K.H2O.Sb/c2*5-1(3(7)8)2(6)4(9)10;;;/h2*1-2,5-6H,(H,7,8)(H,9,10);;1H2;/q;;+1;;+3/p-4",BLJSNFJFAWGMFS-UHFFFAOYSA-J,C8H10KO13Sb,475.02,473.87966,,242,123,0,5,13,2,23,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"D-Alaninamide, (N-acetyl-3-(2-naphtalenyl)-D-alanyl)-(4-chloro-D-phenylalanyl)-(3-(3-pyridinyl)-D-alanyl)-L-seryl-(4-((((4S)-hexahydro-2,6-dioxo-4-pyrimidinyl)carbonyl)amino)-L-phenylalanyl)-(4-(carbamoylamino)-D-phenylalanyl)-L-leucyl-(N(sup 6)-(1-methylethyl)-L-lysyl)-L-prolyl-",,446080,(2R)-2-aminopropanamide,C[C@H](C(=O)N)N,"InChI=1S/C3H8N2O/c1-2(4)3(5)6/h2H,4H2,1H3,(H2,5,6)/t2-/m1/s1",HQMLIDZJXVVKCW-UWTATZPHSA-N,C3H8N2O,88.11,88.06366288,-1.4,69.1,61,0,2,2,1,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Butyn-1-ol, 1-cyclopentyl-1-phenyl-4-(1-piperidinyl)-, hydrochloride",,12991,but-2-yn-1-ol,CC#CCO,"InChI=1S/C4H6O/c1-2-3-4-5/h5H,4H2,1H3",NEEDEQSZOUAJMU-UHFFFAOYSA-N,C4H6O,70.09,70.04186481,0.2,20.2,62,0,1,1,0,5,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"D-Cysteine, S-nitroso-",,92851,(2S)-2-amino-3-sulfanylpropanoic acid,C([C@H](C(=O)O)N)S,"InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1",XUJNEKJLAYXESH-UWTATZPHSA-N,C3H7NO2S,121.16,121.0197496,-2.5,64.3,75,0,3,4,2,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Decanamide, N-(2-hydroxy-1-(((10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl)amino)carbonyl)propyl)-",,75347,decanamide,CCCCCCCCCC(=O)N,"InChI=1S/C10H21NO/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H2,11,12)",TUTWLYPCGCUWQI-UHFFFAOYSA-N,C10H21NO,171.28,171.1623143,3.4,43.1,112,0,1,1,8,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"Methyl sulfate, disodium ((2R,3S,4S,5R,6S)-6-((2R,3S,4R,5R,6S)-6-((2S,3R,4S,5R)-2-(((1S,4S,5R,8S,10R,14S,16S,19R)-19-((1S)-1-acetoxy-1,5-dimethyl-hex-5-enyl)-5,9,9,14-tetramethyl-18-oxo-17-oxapentacyclo(14.2.1.01,14.04,13.05,10)nonadec-12-en-8-yl)oxy)-5-((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfonatooxy-tetrahydropyran-2-yl)oxy-4-hydroxy-tetrahydropyran-3-yl)oxy-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl)oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl)-",,6412,methyl hydrogen sulfate,COS(=O)(=O)O,"InChI=1S/CH4O4S/c1-5-6(2,3)4/h1H3,(H,2,3,4)",JZMJDSHXVKJFKW-UHFFFAOYSA-N,CH4O4S,112.11,111.9830298,-0.8,72,104,0,1,4,1,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"4-Pentynamide, N-hydroxy-2-pentyl-",,15283656,pent-4-ynamide,C#CCCC(=O)N,"InChI=1S/C5H7NO/c1-2-3-4-5(6)7/h1H,3-4H2,(H2,6,7)",KNEPBZMJMJUNQX-UHFFFAOYSA-N,C5H7NO,97.12,97.05276385,-0.4,43.1,108,0,1,1,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Tungsten carbide-cobalt, nanoparticles (<200 nm)",,56846058,cobalt;methylidynetungsten,C#[W].[Co],InChI=1S/CH.Co.W/h1H;;,IKEHVRMRUVYPGG-UHFFFAOYSA-N,CHCoW,255.79,255.891952,,0,10,0,0,0,0,3,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0
"NITRIC ACID, ETHYL ESTER",000625-58-1,12259,ethyl nitrate,CCO[N+](=O)[O-],"InChI=1S/C2H5NO3/c1-2-6-3(4)5/h2H2,1H3",IDNUEBSJWINEMI-UHFFFAOYSA-N,C2H5NO3,91.07,91.02694302,0.9,55.1,47,0,0,3,1,6,"50 °F (NFPA, 2010)",87.2 °C @ 762 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"UREA, NITRO-",000556-89-8,62372,nitrourea,C(=O)(N)N[N+](=O)[O-],"InChI=1S/CH3N3O3/c2-1(5)3-4(6)7/h(H3,2,3,5)",CMUOJBJRZUHRMU-UHFFFAOYSA-N,CH3N3O3,105.05,105.017441,-0.9,101,92,0,2,3,0,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
1-BUTENE,000106-98-9,7844,but-1-ene,CCC=C,"InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3",VXNZUUAINFGPBY-UHFFFAOYSA-N,C4H8,56.11,56.06260026,2.4,0,14,0,0,0,1,4,"-110 °F (NTP, 1992)","21 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
METHANE-D4,000558-20-3,123070,tetradeuteriomethane,[2H]C([2H])([2H])[2H],InChI=1S/CH4/h1H4/i1D4,VNWKTOKETHGBQD-JQYAHLJZSA-N,CH4,20.067,20.05640711,0.6,0,0,0,0,0,0,1,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ETHENE, TRIFLUORO(TRIFLUOROMETHOXY)-",001187-93-5,14474,"1,1,2-trifluoro-2-(trifluoromethoxy)ethene",C(=C(F)F)(OC(F)(F)F)F,"InChI=1S/C3F6O/c4-1(5)2(6)10-3(7,8)9",BLTXWCKMNMYXEA-UHFFFAOYSA-N,C3F6O,166.02,165.9853336,2.4,9.2,142,0,0,7,1,10,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIMETHYLAMINE,000075-50-3,1146,"N,N-dimethylmethanamine",CN(C)C,InChI=1S/C3H9N/c1-4(2)3/h1-3H3,GETQZCLCWQTVFV-UHFFFAOYSA-N,C3H9N,59.11,59.07349929,0.3,3.2,8,0,0,1,0,4,"Not Applicable. Gas. (USCG, 1999)","37.2 °F at 760 mmHg (USCG, 1999)",0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIETHYLPHOSPHINE,000554-70-1,27365,triethylphosphane,CCP(CC)CC,"InChI=1S/C6H15P/c1-4-7(5-2)6-3/h4-6H2,1-3H3",RXJKFRMDXUJTEX-UHFFFAOYSA-N,C6H15P,118.16,118.0911375,1,0,25,0,0,0,3,7,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
PROPIONYL CHLORIDE,000079-03-8,62324,propanoyl chloride,CCC(=O)Cl,"InChI=1S/C3H5ClO/c1-2-3(4)5/h2H2,1H3",RZWZRACFZGVKFM-UHFFFAOYSA-N,C3H5ClO,92.52,92.0028925,1.2,17.1,42,0,0,1,1,5,"54 °F (NFPA, 2010)",80 °C,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
(S)-SEC-BUTYLAMINE,000513-49-5,6713753,(2S)-butan-2-amine,CC[C@H](C)N,"InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3/t4-/m0/s1",BHRZNVHARXXAHW-BYPYZUCNSA-N,C4H11N,73.14,73.08914936,0.6,26,19,0,1,1,1,5,,,1,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
TERT-AMYL ALCOHOL,000075-85-4,6405,2-methylbutan-2-ol,CCC(C)(C)O,"InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3",MSXVEPNJUHWQHW-UHFFFAOYSA-N,C5H12O,88.15,88.088815,0.9,20.2,39,0,1,1,1,6,"67 °F (NFPA, 2010)",102.4 °C at 760 mm Hg,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
OCTANE,000111-65-9,356,octane,CCCCCCCC,"InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3",TVMXDCGIABBOFY-UHFFFAOYSA-N,C8H18,114.23,114.1408506,3.9,0,25,0,0,0,5,8,"56 °F (USCG, 1999)","258.1 °F at 760 mmHg (USCG, 1999)",1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,1
PROPYL ACETATE,000109-60-4,7997,propyl acetate,CCCOC(=O)C,"InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3",YKYONYBAUNKHLG-UHFFFAOYSA-N,C5H10O2,102.13,102.0680796,1.2,26.3,59,0,0,2,3,7,"58 °F (USCG, 1999)","214.9 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
ISOBUTYL BROMIDE,000078-77-3,6555,1-bromo-2-methylpropane,CC(C)CBr,"InChI=1S/C4H9Br/c1-4(2)3-5/h4H,3H2,1-2H3",HLVFKOKELQSXIQ-UHFFFAOYSA-N,C4H9Br,137.02,135.98876,2.3,0,17,0,0,0,1,5,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
1-CHLOROPENTANE,000543-59-9,10977,1-chloropentane,CCCCCCl,"InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3",SQCZQTSHSZLZIQ-UHFFFAOYSA-N,C5H11Cl,106.59,106.054928,2.6,0,19,0,0,0,3,6,"34 °F (USCG, 1999)","226 °F at 760 mmHg (USCG, 1999)",0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
HEXANE-D14,021666-38-6,140854,"1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecadeuteriohexane",[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H],"InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2",VLKZOEOYAKHREP-ZLKPZJALSA-N,C6H14,100.26,100.1974249,3.9,0,12,0,0,0,3,6,,,0,0,0,0,1,0,1,0,1,0,0,0,0,1,0,0,1,0,1,1
VINYLTRIMETHYLSILANE,000754-05-2,79102,ethenyl(trimethyl)silane,C[Si](C)(C)C=C,"InChI=1S/C5H12Si/c1-5-6(2,3)4/h5H,1H2,2-4H3",GCSJLQSCSDMKTP-UHFFFAOYSA-N,C5H12Si,100.23,100.0708269,,0,49,0,0,0,1,6,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
HEPTANE-D16,033838-52-7,524600,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecadeuterioheptane",[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H],"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2",IMNFDUFMRHMDMM-NEBSKJCTSA-N,C7H16,116.3,116.2256284,4.4,0,19,0,0,0,4,7,,,1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,1
ALLYLTRIMETHYLSILANE,000762-72-1,69808,trimethyl(prop-2-enyl)silane,C[Si](C)(C)CC=C,"InChI=1S/C6H14Si/c1-5-6-7(2,3)4/h5H,1,6H2,2-4H3",HYWCXWRMUZYRPH-UHFFFAOYSA-N,C6H14Si,114.26,114.086477,,0,59,0,0,0,2,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"3-BROMO-1,1,1-TRIFLUOROACETONE",000431-35-6,79008,"3-bromo-1,1,1-trifluoropropan-2-one",C(C(=O)C(F)(F)F)Br,"InChI=1S/C3H2BrF3O/c4-1-2(8)3(5,6)7/h1H2",ONZQYZKCUHFORE-UHFFFAOYSA-N,C3H2BrF3O,190.95,189.92411,1.9,17.1,97,0,0,4,1,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
PENTANE-D12,002031-90-5,137286,"1,1,1,2,2,3,3,4,4,5,5,5-dodecadeuteriopentane",[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H],"InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3/i1D3,2D3,3D2,4D2,5D2",OFBQJSOFQDEBGM-HYVJACIRSA-N,C5H12,84.22,84.16922133,3.4,0,7,0,0,0,2,5,,,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1
"SILANE, CHLORODIMETHYL(3,3,3-TRIFLUOROPROPYL)",001481-41-0,73866,"chloro-dimethyl-(3,3,3-trifluoropropyl)silane",C[Si](C)(CCC(F)(F)F)Cl,"InChI=1S/C5H10ClF3Si/c1-10(2,6)4-3-5(7,8)9/h3-4H2,1-2H3",KBAZUXSLKGQRJF-UHFFFAOYSA-N,C5H10ClF3Si,190.66,190.019239,,0,110,0,0,3,2,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
ETHYL SULFIDE,000352-93-2,9609,ethylsulfanylethane,CCSCC,"InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3",LJSQFQKUNVCTIA-UHFFFAOYSA-N,C4H10S,90.19,90.05032149,1.9,25.3,11,0,0,1,2,5,-6.7 °C,92.1 °C,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
3-BROMO-2-METHYLPROPENE,001458-98-6,357785,3-bromo-2-methylprop-1-ene,CC(=C)CBr,"InChI=1S/C4H7Br/c1-4(2)3-5/h1,3H2,2H3",USEGQJLHQSTGHW-UHFFFAOYSA-N,C4H7Br,135,133.97311,2.3,0,38,0,0,0,1,5,,,0,0,1,1,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0
"2-PROPANOL-1,3-13C2",117072-72-7,71309419,"(1,3-13C2)propan-2-ol",[13CH3]C([13CH3])O,"InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i1+1,2+1",KFZMGEQAYNKOFK-ZDOIIHCHSA-N,C3H8O,62.081,62.06422455,0.3,20.2,10,0,1,1,0,4,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
"2-PROPENOIC ACID, 1-METHYLETHYL ESTER",000689-12-3,12716,propan-2-yl prop-2-enoate,CC(C)OC(=O)C=C,"InChI=1S/C6H10O2/c1-4-6(7)8-5(2)3/h4-5H,1H2,2-3H3",LYBIZMNPXTXVMV-UHFFFAOYSA-N,C6H10O2,114.14,114.0680796,1.5,26.3,94,0,0,2,3,8,,,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
"SILANE, (CHLOROMETHYL)DIMETHYL-",003144-74-9,6327474,,C[Si](C)CCl,"InChI=1S/C3H8ClSi/c1-5(2)3-4/h3H2,1-2H3",PAJFATIYVLZNFC-UHFFFAOYSA-N,C3H8ClSi,107.63,107.0083795,,0,20,0,0,0,1,5,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"SILANE, (BROMOMETHYL)TRIMETHYL-",018243-41-9,87523,bromomethyl(trimethyl)silane,C[Si](C)(C)CBr,"InChI=1S/C4H11BrSi/c1-6(2,3)4-5/h4H2,1-3H3",ACAUYCZBWABOLI-UHFFFAOYSA-N,C4H11BrSi,167.12,165.98134,,0,37,0,0,0,1,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"SILANE, DICHLORODODECYLMETHYL-",018407-07-3,87628,dichloro-dodecyl-methylsilane,CCCCCCCCCCCC[Si](C)(Cl)Cl,"InChI=1S/C13H28Cl2Si/c1-3-4-5-6-7-8-9-10-11-12-13-16(2,14)15/h3-13H2,1-2H3",ZAADUWCLWTWDSZ-UHFFFAOYSA-N,C13H28Cl2Si,283.3,282.1337328,,0,149,0,0,0,11,16,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
"HEXANOIC ACID, 2-ETHYL-, LANTHANUM(3+) SALT",067816-09-5,171899,tris(2-ethylhexanoate);lanthanum(3+),CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[La+3],"InChI=1S/3C8H16O2.La/c3*1-3-5-6-7(4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);/q;;;+3/p-3",PPNFILUQDVDXDA-UHFFFAOYSA-K,C24H45LaO6,568.5,568.227977,,120,93,0,0,6,12,31,,,0,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,1,1
"3,4-DIMETHYLHEPTANE",000922-28-1,13534,"3,4-dimethylheptane",CCCC(C)C(C)CC,"InChI=1S/C9H20/c1-5-7-9(4)8(3)6-2/h8-9H,5-7H2,1-4H3",MAKRYGRRIKSDES-UHFFFAOYSA-N,C9H20,128.25,128.1565006,4.5,0,57,0,0,0,4,9,,140.60 °C. @ 760.00 mm Hg,1,0,0,0,1,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
(T-4)-TRIBUTYL(3-METHOXY-1-PROPANAMINE-KAPPAN)BORON,345269-15-0,134693669,hydron;tributyl-(3-methoxypropylamino)boranuide,[H+].[B-](CCCC)(CCCC)(CCCC)NCCCOC,"InChI=1S/C16H37BNO/c1-5-8-12-17(13-9-6-2,14-10-7-3)18-15-11-16-19-4/h18H,5-16H2,1-4H3/q-1/p+1",RKQRIKIWTIJVHZ-UHFFFAOYSA-O,C16H38BNO,271.3,271.304645,,21.3,166,0,2,3,14,19,,,0,0,0,1,0,0,1,1,1,0,0,0,0,0,0,0,1,1,0,0
TERT-BUTYL METHYL-D3 ETHER,029366-08-3,16212833,2-methyl-2-(trideuteriomethoxy)propane,[2H]C([2H])([2H])OC(C)(C)C,"InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3/i4D3",BZLVMXJERCGZMT-GKOSEXJESA-N,C5H12O,91.17,91.10764524,0.9,9.2,33,0,0,1,1,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
1-BROMOPROPANE,000106-94-5,7840,1-bromopropane,CCCBr,"InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3",CYNYIHKIEHGYOZ-UHFFFAOYSA-N,C3H7Br,122.99,121.97311,2.1,0,7,0,0,0,1,4,"78 °F (USCG, 1999)","160 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,1,1,0,0,0,0,1,0,0,1,0,1,1
METHYL BUTYL KETONE,000591-78-6,11583,hexan-2-one,CCCCC(=O)C,"InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3",QQZOPKMRPOGIEB-UHFFFAOYSA-N,C6H12O,100.16,100.088815,1.4,17.1,57,0,0,1,3,7,"73 °F (NTP, 1992)","261 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,1,1
1-IODOBUTANE,000542-69-8,10962,1-iodobutane,CCCCI,"InChI=1S/C4H9I/c1-2-3-4-5/h2-4H2,1H3",KMGBZBJJOKUPIA-UHFFFAOYSA-N,C4H9I,184.02,183.9749,3.1,0,13,0,0,0,2,5,,,0,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
ACETOIN,000513-86-0,179,3-hydroxybutan-2-one,CC(C(=O)C)O,"InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3",ROWKJAVDOGWPAT-UHFFFAOYSA-N,C4H8O2,88.11,88.05242949,-0.3,37.3,58,0,1,2,1,6,41 °C,148 °C at 760 mm Hg,0,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,1,0,0,0
3-DIMETHYLAMINO-1-PROPANOL,003179-63-3,76646,3-(dimethylamino)propan-1-ol,CN(C)CCCO,"InChI=1S/C5H13NO/c1-6(2)4-3-5-7/h7H,3-5H2,1-2H3",PYSGFFTXMUWEOT-UHFFFAOYSA-N,C5H13NO,103.16,103.099714,-0.1,23.5,37,0,1,2,3,7,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
METHYL TRIFLUOROMETHANESULFONATE,000333-27-7,9526,methyl trifluoromethanesulfonate,COS(=O)(=O)C(F)(F)F,"InChI=1S/C2H3F3O3S/c1-8-9(6,7)2(3,4)5/h1H3",OIRDBPQYVWXNSJ-UHFFFAOYSA-N,C2H3F3O3S,164.11,163.9754996,0.9,51.8,172,0,0,6,1,9,"101 °F (NTP, 1992)","201 to 210 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
3-METHYL-2-BUTEN-1-OL,000556-82-1,11173,3-methylbut-2-en-1-ol,CC(=CCO)C,"InChI=1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3",ASUAYTHWZCLXAN-UHFFFAOYSA-N,C5H10O,86.13,86.07316494,1,20.2,51,0,1,1,1,6,50 °C c.c.,138.00 to 174.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"ACETIC ACID, CHLOROFLUORO-, ETHYL ESTER",000401-56-9,101668,ethyl 2-chloro-2-fluoroacetate,CCOC(=O)C(F)Cl,"InChI=1S/C4H6ClFO2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3",WUHVJSONZHSDFC-UHFFFAOYSA-N,C4H6ClFO2,140.54,140.0040353,1.1,26.3,86,0,0,3,3,8,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"CARBONOPEROXOIC ACID, OO-(1,1-DIMETHYLETHYL) O-(1-METHYLETHYL) ESTER",002372-21-6,75406,(2-methylpropan-2-yl)oxy propan-2-yl carbonate,CC(C)OC(=O)OOC(C)(C)C,"InChI=1S/C8H16O4/c1-6(2)10-7(9)11-12-8(3,4)5/h6H,1-5H3",KDGNCLDCOVTOCS-UHFFFAOYSA-N,C8H16O4,176.21,176.104859,2.4,44.8,146,0,0,4,5,12,,,1,0,0,0,0,0,1,1,1,0,0,0,1,0,0,1,1,1,0,0
"CARBONOCHLORIDOTHIOIC ACID, S-ETHYL ESTER",002941-64-2,18056,S-ethyl chloromethanethioate,CCSC(=O)Cl,"InChI=1S/C3H5ClOS/c1-2-6-3(4)5/h2H2,1H3",QCMHWZUFWLOOGI-UHFFFAOYSA-N,C3H5ClOS,124.59,123.9749636,2.1,42.4,54,0,0,2,2,6,"87 °F (NTP, 1992)","270 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
"NONANE, 5-METHYL-",015869-85-9,27518,5-methylnonane,CCCCC(C)CCCC,"InChI=1S/C10H22/c1-4-6-8-10(3)9-7-5-2/h10H,4-9H2,1-3H3",TYSIILFJZXHVPU-UHFFFAOYSA-N,C10H22,142.28,142.1721507,5.3,0,49,0,0,0,6,10,,,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"PROPANOIC ACID, 2,2-DIMETHYL-, CHLOROMETHYL ESTER",018997-19-8,87885,"chloromethyl 2,2-dimethylpropanoate",CC(C)(C)C(=O)OCCl,"InChI=1S/C6H11ClO2/c1-6(2,3)5(8)9-4-7/h4H2,1-3H3",GGRHYQCXXYLUTL-UHFFFAOYSA-N,C6H11ClO2,150.6,150.0447573,2.2,26.3,104,0,0,2,3,9,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"HEXANE, 3,4-DIETHYL-",019398-77-7,88038,"3,4-diethylhexane",CCC(CC)C(CC)CC,"InChI=1S/C10H22/c1-5-9(6-2)10(7-3)8-4/h9-10H,5-8H2,1-4H3",VBZCRMTUDYIWIH-UHFFFAOYSA-N,C10H22,142.28,142.1721507,5.1,0,48,0,0,0,5,10,,,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
LANTHANUM METHOXYETHOXIDE,115685-56-8,71317437,lanthanum(3+);tris(1-methoxyethanolate),CC([O-])OC.CC([O-])OC.CC([O-])OC.[La+3],"InChI=1S/3C3H7O2.La/c3*1-3(4)5-2;/h3*3H,1-2H3;/q3*-1;+3",UHDUMRBTZQQTHV-UHFFFAOYSA-N,C9H21LaO6,364.16,364.040176,,96.9,20,0,0,6,3,16,,,0,1,1,1,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0
"2,5-DIMETHYL-2,4-HEXADIENE",000764-13-6,12992,"2,5-dimethylhexa-2,4-diene",CC(=CC=C(C)C)C,"InChI=1S/C8H14/c1-7(2)5-6-8(3)4/h5-6H,1-4H3",DZPCYXCBXGQBRN-UHFFFAOYSA-N,C8H14,110.2,110.1095504,3.6,0,92,0,0,0,1,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
TRIETHOXYOCTYLSILANE,002943-75-1,76262,triethoxy(octyl)silane,CCCCCCCC[Si](OCC)(OCC)OCC,"InChI=1S/C14H32O3Si/c1-5-9-10-11-12-13-14-18(15-6-2,16-7-3)17-8-4/h5-14H2,1-4H3",MSRJTTSHWYDFIU-UHFFFAOYSA-N,C14H32O3Si,276.49,276.2120714,,27.7,159,0,0,3,13,18,,,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
3-(PERFLUOROHEXYL)PROPANOL,080806-68-4,2776181,"4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-1-ol",C(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CO,"InChI=1S/C9H7F13O/c10-4(11,2-1-3-23)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h23H,1-3H2",HMGDEQANNRNNKX-UHFFFAOYSA-N,C9H7F13O,378.13,378.0289309,4.7,20.2,410,0,1,14,7,23,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
BUTYL PENTANOATE,000591-68-4,61137,butyl pentanoate,CCCCC(=O)OCCCC,"InChI=1S/C9H18O2/c1-3-5-7-9(10)11-8-6-4-2/h3-8H2,1-2H3",OKJADYKTJJGKDX-UHFFFAOYSA-N,C9H18O2,158.24,158.1306798,2.7,26.3,99,0,0,2,7,11,,185.80 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
2-ETHYLHEXANAL,000123-05-7,31241,2-ethylhexanal,CCCCC(CC)C=O,"InChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h7-8H,3-6H2,1-2H3",LGYNIFWIKSEESD-UHFFFAOYSA-N,C8H16O,128.21,128.1201151,2.6,17.1,69,0,0,1,5,9,"125 °F (NTP, 1992)","326.1 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,1,0,0,0,0,1,0,0,1,1,0,0
ISOBUTYLTRIMETHOXYSILANE,018395-30-7,87622,trimethoxy(2-methylpropyl)silane,CC(C)C[Si](OC)(OC)OC,"InChI=1S/C7H18O3Si/c1-7(2)6-11(8-3,9-4)10-5/h7H,6H2,1-5H3",XYJRNCYWTVGEEG-UHFFFAOYSA-N,C7H18O3Si,178.3,178.102521,,27.7,93,0,0,3,5,11,,,0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
TRI-2-PROPYNYLAMINE,006921-29-5,23351,"N,N-bis(prop-2-ynyl)prop-2-yn-1-amine",C#CCN(CC#C)CC#C,"InChI=1S/C9H9N/c1-4-7-10(8-5-2)9-6-3/h1-3H,7-9H2",ZHOBJWVNWMQMLF-UHFFFAOYSA-N,C9H9N,131.17,131.0734993,1.3,3.2,180,0,0,1,3,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2,9-DIMETHYL-5-DECYNE",019550-56-2,140552,"2,9-dimethyldec-5-yne",CC(C)CCC#CCCC(C)C,"InChI=1S/C12H22/c1-11(2)9-7-5-6-8-10-12(3)4/h11-12H,7-10H2,1-4H3",RCFYJIGZQAOTFV-UHFFFAOYSA-N,C12H22,166.3,166.1721507,5,0,135,0,0,0,4,12,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2-PENTANOL, 4-METHYL-, ACETATE",000108-84-9,7959,4-methylpentan-2-yl acetate,CC(C)CC(C)OC(=O)C,"InChI=1S/C8H16O2/c1-6(2)5-7(3)10-8(4)9/h6-7H,5H2,1-4H3",CPIVYSAVIPTCCX-UHFFFAOYSA-N,C8H16O2,144.21,144.1150297,2.2,26.3,108,0,0,2,4,10,"113 °F (USCG, 1999)","295.2 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"HEPTANE, 3,5-DIMETHYL-",000926-82-9,13558,"3,5-dimethylheptane",CCC(C)CC(C)CC,"InChI=1S/C9H20/c1-5-8(3)7-9(4)6-2/h8-9H,5-7H2,1-4H3",DZJTZGHZAWTWGA-UHFFFAOYSA-N,C9H20,128.25,128.1565006,4.5,0,49,0,0,0,4,9,,,1,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
"BUTANE, 2,2-DICHLORO-",004279-22-5,521118,"2,2-dichlorobutane",CCC(C)(Cl)Cl,"InChI=1S/C4H8Cl2/c1-3-4(2,5)6/h3H2,1-2H3",BSRTYNDWQXVCKR-UHFFFAOYSA-N,C4H8Cl2,127.01,126.0003056,2.8,0,40,0,0,0,1,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-HEXENE, 1,1-DIMETHOXY-, (E)-",018318-83-7,6436486,"(E)-1,1-dimethoxyhex-2-ene",CCC/C=C/C(OC)OC,"InChI=1S/C8H16O2/c1-4-5-6-7-8(9-2)10-3/h6-8H,4-5H2,1-3H3/b7-6+",OSVRJMZINDGZFB-VOTSOKGWSA-N,C8H16O2,144.21,144.1150297,1.9,18.5,85,0,0,2,5,10,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0
"1,3-DIAMINOPROPANE",000109-76-2,428,"propane-1,3-diamine",C(CN)CN,InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2,XFNJVJPLKCPIBV-UHFFFAOYSA-N,C3H10N2,74.13,74.08439833,-1.4,52,12,0,2,2,2,5,"75 °F (NTP, 1992)","275.9 °F at 738 mmHg (NTP, 1992)",0,1,0,1,0,0,0,1,1,0,0,0,0,0,1,0,1,1,0,0
PALLADIUM METAL (SOLID),007440-05-3,23938,palladium,[Pd],InChI=1S/Pd,KDLHZDBZIXYQEI-UHFFFAOYSA-N,Pd,106.42,105.90348,,0,0,0,0,0,0,1,,2963 °C,0,0,0,0,0,0,1,1,0,1,0,0,0,0,0,0,1,0,0,1
LITHIUM BIS(TRIMETHYLSILYL)AMIDE,004039-32-1,57426343,,[Li].C[Si](C)(C)N[Si](C)(C)C,"InChI=1S/C6H19NSi2.Li/c1-8(2,3)7-9(4,5)6;/h7H,1-6H3;",QQIRAVWVGBTHMJ-UHFFFAOYSA-N,C6H19LiNSi2,168.4,168.1216061,,12,76,0,1,1,2,10,,,0,1,1,1,0,0,1,1,0,1,0,0,0,0,0,0,1,0,0,0
"OXONIUM, TRIETHYL-, HEXAFLUOROPHOSPHATE(1-)",017950-40-2,167684,triethyloxidanium hexafluorophosphate,CC[O+](CC)CC.F[P-](F)(F)(F)(F)F,"InChI=1S/C6H15O.F6P/c1-4-7(5-2)6-3;1-7(2,3,4,5)6/h4-6H2,1-3H3;/q+1;-1",JRHIFBONIQGZFC-UHFFFAOYSA-N,C6H15F6OP,248.15,248.0764711,,1,88,0,0,7,3,14,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0
"1-OCTADECANOL, TITANIUM(4+) SALT",005128-29-0,78803,tetrakis(octadecan-1-olate);titanium(4+),CCCCCCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCCCCCC[O-].[Ti+4],"InChI=1S/4C18H37O.Ti/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h4*2-18H2,1H3;/q4*-1;+4",KQJBQMSCFSJABN-UHFFFAOYSA-N,C72H148O4Ti,1125.8,1125.085704,,92.2,145,0,0,4,64,77,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
MANGANESE METAL (SOLID),007439-96-5,23930,manganese,[Mn],InChI=1S/Mn,PWHULOQIROXLJO-UHFFFAOYSA-N,Mn,54.93804,54.938043,,0,0,0,0,0,0,1,,"3564 °F at 760 mmHg (NIOSH, 2024)",0,0,0,0,0,0,1,1,0,1,0,0,0,0,0,0,0,0,0,0
DIISOPROPYL PEROXYDICARBONATE,000105-64-6,7769,propan-2-yl propan-2-yloxycarbonyloxy carbonate,CC(C)OC(=O)OOC(=O)OC(C)C,"InChI=1S/C8H14O6/c1-5(2)11-7(9)13-14-8(10)12-6(3)4/h5-6H,1-4H3",BWJUFXUULUEGMA-UHFFFAOYSA-N,C8H14O6,206.19,206.0790382,2.6,71.1,176,0,0,6,7,14,,,1,0,0,1,0,0,1,1,0,0,0,0,1,0,0,1,1,0,1,1
"(1,1-DIMETHYLETHYL)LITHIUM",000594-19-4,53628101,,[Li].C[C](C)C,InChI=1S/C4H9.Li/c1-4(2)3;/h1-3H3;,BKDLGMUIXWPYGD-UHFFFAOYSA-N,C4H9Li,64.1,64.08642872,,0,4,0,0,0,0,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"LITHIUM, (1-METHYLPROPYL)-",000598-30-1,102446,lithium butane,[Li+].CC[CH-]C,"InChI=1S/C4H9.Li/c1-3-4-2;/h3H,4H2,1-2H3;/q-1;+1",WGOPGODQLGJZGL-UHFFFAOYSA-N,C4H9Li,64.1,64.08642872,,0,7,0,0,1,1,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
NICKEL(II) CHLORIDE ETHYLENE GLYCOL DIMETHYL ETHER COMPLEX,029046-78-4,15773433,"dichloronickel;1,2-dimethoxyethane",COCCOC.Cl[Ni]Cl,"InChI=1S/C4H10O2.2ClH.Ni/c1-5-3-4-6-2;;;/h3-4H2,1-2H3;2*1H;/q;;;+2/p-2",OCMNCWNTDDVHFK-UHFFFAOYSA-L,C4H10Cl2NiO2,219.72,217.941127,,18.5,20,0,0,2,3,9,,,1,0,0,1,0,1,0,1,0,0,0,0,0,0,1,0,1,0,0,0
SODIUM TRIETHYLHYDROBORATE(1-),017979-81-6,23667700,,[B-](CC)(CC)CC.[Na+],"InChI=1S/C6H15B.Na/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;/q-1;+1",UKYGKELSBAWRAN-UHFFFAOYSA-N,C6H15BNa,120.99,121.1164499,,0,30,0,0,1,0,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
POTASSIUM PEROXYMONOSULFATE SULFATE (K5[HSO3(O2)][SO3(O2)](HSO4)2),070693-62-8,15793144,pentapotassium;hydrogen sulfate;oxido hydrogen sulfate;sulfate,OS(=O)(=O)[O-].OS(=O)(=O)O[O-].OS(=O)(=O)O[O-].[O-]S(=O)(=O)[O-].[K+].[K+].[K+].[K+].[K+],"InChI=1S/5K.2H2O5S.2H2O4S/c;;;;;2*1-5-6(2,3)4;2*1-5(2,3)4/h;;;;;2*1H,(H,2,3,4);2*(H2,1,2,3,4)/q5*+1;;;;/p-5",HJKYXKSLRZKNSI-UHFFFAOYSA-I,H3K5O18S4,614.8,613.6387554,,365,239,0,3,18,0,27,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
LANTHANUM NITRATE HEXAHYDRATE,010277-43-7,16211478,lanthanum(3+);trinitrate;hexahydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.O.[La+3],InChI=1S/La.3NO3.6H2O/c;3*2-1(3)4;;;;;;/h;;;;6*1H2/q+3;3*-1;;;;;;,GJKFIJKSBFYMQK-UHFFFAOYSA-N,H12LaN3O15,433.01,432.933205,,195,18,0,6,15,0,19,,"259 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POTASSIUM NITRATE,007757-79-1,24434,potassium nitrate,[N+](=O)([O-])[O-].[K+],InChI=1S/K.NO3/c;2-1(3)4/q+1;-1,FGIUAXJPYTZDNR-UHFFFAOYSA-N,KNO3,101.103,100.9515244,,62.9,18,0,0,3,0,5,,"752 °F at 760 mmHg (decomposes) (USCG, 1999)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NICKEL NITRATE,013138-45-9,25736,nickel(2+) dinitrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Ni+2],InChI=1S/2NO3.Ni/c2*2-1(3)4;/q2*-1;+2,KBJMLQFLOWQJNF-UHFFFAOYSA-N,N2NiO6,182.7,181.910977,,126,18,0,0,6,0,9,,,1,0,1,1,0,1,1,1,0,0,1,0,0,1,1,0,1,1,1,0
IRIDIUM(IV) OXIDE,012030-49-8,82821,dioxoiridium,O=[Ir]=O,InChI=1S/Ir.2O,HTXDPTMKBJXEOW-UHFFFAOYSA-N,IrO2,224.22,224.95275,,34.1,18,0,0,2,0,3,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
TERBIUM (III) NITRATE HYDRATE,094219-56-4,91886285,terbium(3+);trinitrate;hydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.[Tb+3],InChI=1S/3NO3.H2O.Tb/c3*2-1(3)4;;/h;;;1H2;/q3*-1;;+3,UNSPFWLYDUXJHT-UHFFFAOYSA-N,H2N3O10Tb,362.96,362.89937,,190,18,0,1,10,0,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PERCHLORIC ACID, CERIUM(4+) SALT",014338-93-3,167073,cerium(4+) tetraperchlorate,[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Ce+4],"InChI=1S/Ce.4ClHO4/c;4*2-1(3,4)5/h;4*(H,2,3,4,5)/q+4;;;;/p-4",VDNBDUGCNUZGGR-UHFFFAOYSA-J,CeCl4O16,537.9,537.69654,,297,95,0,0,16,0,21,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PERCHLORIC ACID, ALUMINUM SALT",014452-39-2,159740,aluminum triperchlorate,[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Al+3],"InChI=1S/Al.3ClHO4/c;3*2-1(3,4)5/h;3*(H,2,3,4,5)/q+3;;;/p-3",ZRGUXTGDSGGHLR-UHFFFAOYSA-K,AlCl3O12,325.33,323.827072,,223,95,0,0,12,0,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
CALCIUM CHLORATE,010137-74-3,24978,calcium dichlorate,[O-]Cl(=O)=O.[O-]Cl(=O)=O.[Ca+2],"InChI=1S/Ca.2ClHO3/c;2*2-1(3)4/h;2*(H,2,3,4)/q+2;;/p-2",YALMXYPQBUJUME-UHFFFAOYSA-L,CaCl2O6,206.98,205.869784,,114,36,0,0,6,0,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
HELIUM,007440-59-7,23987,helium,[He],InChI=1S/He,SWQJXJOGLNCZEY-UHFFFAOYSA-N,He,4.0026,4.002603254,,0,0,0,0,0,0,1,,-268.928 °C,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-(2-AMINOETHOXY) ETHANOL,000929-06-6,13578,2-(2-aminoethoxy)ethanol,C(COCCO)N,"InChI=1S/C4H11NO2/c5-1-3-7-4-2-6/h6H,1-5H2",GIAFURWZWWWBQT-UHFFFAOYSA-N,C4H11NO2,105.14,105.0789786,-1.5,55.5,32,0,2,3,4,7,Flash point =126 °C,221 °C,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"2-PHOSPHONO-1,2,4-BUTANETRICARBOXYLIC ACID",037971-36-1,61973,"2-phosphonobutane-1,2,4-tricarboxylic acid",C(CC(CC(=O)O)(C(=O)O)P(=O)(O)O)C(=O)O,"InChI=1S/C7H11O9P/c8-4(9)1-2-7(6(12)13,3-5(10)11)17(14,15)16/h1-3H2,(H,8,9)(H,10,11)(H,12,13)(H2,14,15,16)",SZHQPBJEOCHCKM-UHFFFAOYSA-N,C7H11O9P,270.13,270.0140689,-2.8,169,383,0,5,9,7,17,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
TETRABUTYLPHOSPHONIUM HYDROXIDE,014518-69-5,84487,tetrabutylphosphanium hydroxide,CCCC[P+](CCCC)(CCCC)CCCC.[OH-],"InChI=1S/C16H36P.H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H2/q+1;/p-1",DFQPZDGUFQJANM-UHFFFAOYSA-M,C16H37OP,276.44,276.2582028,,1,116,0,1,1,12,18,,,0,0,0,1,0,0,1,0,0,0,0,1,0,0,0,0,1,0,0,0
SODIUM SULFIDE,001313-82-2,237873,disodium;sulfanide,[Na+].[Na+].[SH-],InChI=1S/2Na.H2S/h;;1H2/q2*+1;/p-1,VDQVEACBQKUUSU-UHFFFAOYSA-M,HNa2S+,79.06,78.95943477,,1,2,1,1,1,0,3,,,1,1,0,1,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
STANNOUS CHLORIDE,007772-99-8,24479,dichlorotin,Cl[Sn]Cl,InChI=1S/2ClH.Sn/h2*1H;/q;;+2/p-2,AXZWODMDQAVCJE-UHFFFAOYSA-L,Cl2Sn,189.61,189.839908,,0,2,0,0,0,0,3,,"1206 °F at 760 mmHg (NTP, 1992)",1,1,1,1,0,0,1,1,0,0,0,1,0,0,0,0,1,1,1,1
ALUMINUM ACETYLACETONATE,013963-57-0,16702007,"3-[bis(2,4-dioxopentan-3-yl)alumanyl]pentane-2,4-dione",CC(=O)C(C(=O)C)[Al](C(C(=O)C)C(=O)C)C(C(=O)C)C(=O)C,"InChI=1S/3C5H7O2.Al/c3*1-4(6)3-5(2)7;/h3*3H,1-2H3;",XBIUWALDKXACEA-UHFFFAOYSA-N,C15H21AlO6,324.3,324.1153518,,102,418,0,0,6,9,22,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
ALDICARB SULFOXIDE,001646-87-3,15437,[(2-methyl-2-methylsulfinylpropylidene)amino] N-methylcarbamate,CC(C)(C=NOC(=O)NC)S(=O)C,"InChI=1S/C7H14N2O3S/c1-7(2,13(4)11)5-9-12-6(10)8-3/h5H,1-4H3,(H,8,10)",BXPMAGSOWXBZHS-UHFFFAOYSA-N,C7H14N2O3S,206.27,206.0725135,-0.2,87,238,0,1,5,4,13,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
FLUOROACETIC ACID,000144-49-0,5237,2-fluoroacetic acid,C(C(=O)O)F,"InChI=1S/C2H3FO2/c3-1-2(4)5/h1H2,(H,4,5)",QEWYKACRFQMRMB-UHFFFAOYSA-N,C2H3FO2,78.04,78.0117075,0.2,37.3,42,0,1,3,1,5,,"329 °F at 760 mmHg (EPA, 1998)",1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-BROMOETHYLDIETHYLAMMONIUM BROMIDE,001069-72-3,70607,"2-bromo-N,N-diethylethanamine;hydrobromide",CCN(CC)CCBr.Br,"InChI=1S/C6H14BrN.BrH/c1-3-8(4-2)6-5-7;/h3-6H2,1-2H3;1H",HLMHCDKXKXBKQK-UHFFFAOYSA-N,C6H15Br2N,261,260.95508,,3.2,43,0,1,1,4,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIMEFOX,000115-26-4,8264,N-[dimethylamino(fluoro)phosphoryl]-N-methylmethanamine,CN(C)P(=O)(N(C)C)F,"InChI=1S/C4H12FN2OP/c1-6(2)9(5,8)7(3)4/h1-4H3",PGJBQBDNXAZHBP-UHFFFAOYSA-N,C4H12FN2OP,154.12,154.0671282,-0.1,23.6,125,0,0,4,2,9,,"187 °F at 15 mmHg (EPA, 1998)",0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
HYDROXYMETHYL MERCURY,001184-57-2,14451,methylmercury(1+) hydroxide,C[Hg+].[OH-],InChI=1S/CH3.Hg.H2O/h1H3;;1H2/q;+1;/p-1,KRZWEBVPFGCYMY-UHFFFAOYSA-M,CH4HgO,232.63,233.996858,,1,2,0,1,1,0,3,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"HYDRAZINECARBOXYLIC ACID, ETHYL ESTER",004114-31-2,20064,ethyl N-aminocarbamate,CCOC(=O)NN,"InChI=1S/C3H8N2O2/c1-2-7-3(6)5-4/h2,4H2,1H3,(H,5,6)",VYSYZMNJHYOXGN-UHFFFAOYSA-N,C3H8N2O2,104.11,104.0585775,-0.4,64.4,64,0,2,3,2,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CYANOGEN BROMIDE,000506-68-3,10476,carbononitridic bromide,C(#N)Br,InChI=1S/CBrN/c2-1-3,ATDGTVJJHBUTRL-UHFFFAOYSA-N,CBrN,105.92,104.92141,1.1,23.8,31,0,0,1,0,3,"Not Applicable. Not flammable. (USCG, 1999)","142 °F at 760 mmHg (EPA, 1998)",1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
HEXAFLUOROANTIMONYIC ACID,016950-06-4,11118066,pentafluoro-lambda5-stibane;hydrofluoride,F.F[Sb](F)(F)(F)F,InChI=1S/6FH.Sb/h6*1H;/q;;;;;;+5/p-5,MBAKFIZHTUAVJN-UHFFFAOYSA-I,F6HSb,236.758,235.90206,,0,37,0,1,6,0,7,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
URANYL ACETATE,000541-09-3,21226249,dioxouranium(2+) diacetate,CC(=O)[O-].CC(=O)[O-].O=[U+2]=O,"InChI=1S/2C2H4O2.2O.U/c2*1-2(3)4;;;/h2*1H3,(H,3,4);;;/q;;;;+2/p-2",MCRZASGCXKHFTN-UHFFFAOYSA-L,C4H6O6U,388.12,388.06722,,114,43,0,0,6,0,11,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
URANIUM METAL (SOLID),007440-61-1,23989,uranium,[U],InChI=1S/U,JFALSRSLKYAFGM-UHFFFAOYSA-N,U,238.0289,238.05079,,0,0,0,0,0,0,1,,4131 °C,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
TERBUFOS,013071-79-9,25670,tert-butylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane,CCOP(=S)(OCC)SCSC(C)(C)C,"InChI=1S/C9H21O2PS3/c1-6-10-12(13,11-7-2)15-8-14-9(3,4)5/h6-8H2,1-5H3",XLNZEKHULJKQBA-UHFFFAOYSA-N,C9H21O2PS3,288.4,288.0441304,4.5,101,206,0,0,5,8,15,"190 °F (EPA, 1998)","156 °F at 0.01 mmHg (EPA, 1998)",1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
BIS(TRIETHOXYSILYL)ETHANE,016068-37-4,85266,triethoxy(2-triethoxysilylethyl)silane,CCO[Si](CC[Si](OCC)(OCC)OCC)(OCC)OCC,"InChI=1S/C14H34O6Si2/c1-7-15-21(16-8-2,17-9-3)13-14-22(18-10-4,19-11-5)20-12-6/h7-14H2,1-6H3",IZRJPHXTEXTLHY-UHFFFAOYSA-N,C14H34O6Si2,354.59,354.1893919,,55.4,208,0,0,6,15,22,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
COBALT(II) FLUORIDE,010026-17-2,24820,difluorocobalt,F[Co]F,InChI=1S/Co.2FH/h;2*1H/q+2;;/p-2,YCYBZKSMUPTWEE-UHFFFAOYSA-L,CoF2,96.93,96.93,,0,2,0,0,2,0,3,,"Volatilizes at about 2552.0 °F (USCG, 1999)",0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0,0
Iron Arsenide,012005-88-8,74765660,,[Fe].[Fe]=[As],InChI=1S/As.2Fe,FDKAYGUKROYPRO-UHFFFAOYSA-N,AsFe2,186.61,186.79147,,0,2,0,0,0,0,3,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
HYDRAZINE SULFATE-15N2,088491-70-7,16213373,,[15NH2][15NH2].OS(=O)(=O)O,"InChI=1S/H4N2.H2O4S/c1-2;1-5(2,3)4/h1-2H2;(H2,1,2,3,4)/i1+1,2+1;",ZGCHATBSUIJLRL-AWQJXPNKSA-N,H6N2O4S,132.11,131.9988976,,135,81,0,4,6,0,7,,,1,1,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0
2-CYANOACETYL CHLORIDE,016130-58-8,11051594,2-cyanoacetyl chloride,C(C#N)C(=O)Cl,InChI=1S/C3H2ClNO/c4-3(6)1-2-5/h1H2,GEQZTCMVWVDEDF-UHFFFAOYSA-N,C3H2ClNO,103.51,102.9824914,0.7,40.9,101,0,0,2,1,6,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANAMIDE, N-(AMINOCARBONYL)-2-BROMO-2-ETHYL-",000077-65-6,6488,2-bromo-N-carbamoyl-2-ethylbutanamide,CCC(CC)(C(=O)NC(=O)N)Br,"InChI=1S/C7H13BrN2O2/c1-3-7(8,4-2)5(11)10-6(9)12/h3-4H2,1-2H3,(H3,9,10,11,12)",OPNPQXLQERQBBV-UHFFFAOYSA-N,C7H13BrN2O2,237.09,236.01604,1.5,72.2,190,0,2,2,3,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANAL, 2-METHYL-, OXIME",000151-00-8,5324282,(NE)-N-(2-methylpropylidene)hydroxylamine,CC(C)/C=N/O,"InChI=1S/C4H9NO/c1-4(2)3-5-6/h3-4,6H,1-2H3/b5-3+",SYJPAKDNFZLSMV-HWKANZROSA-N,C4H9NO,87.12,87.06841391,1,32.6,49,0,1,2,1,6,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Hydrazine, 1,2-dimethyl-, dihydrochloride",000306-37-6,9380,"1,2-dimethylhydrazine;dihydrochloride",CNNC.Cl.Cl,"InChI=1S/C2H8N2.2ClH/c1-3-4-2;;/h3-4H,1-2H3;2*1H",WLDRFJDGKMTPPV-UHFFFAOYSA-N,C2H10Cl2N2,133.02,132.0221037,,24.1,6,0,4,2,1,6,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"METHANOL, PHOSPHINIDYNETRIS-",002767-80-8,76001,bis(hydroxymethyl)phosphanylmethanol,C(O)P(CO)CO,"InChI=1S/C3H9O3P/c4-1-7(2-5)3-6/h4-6H,1-3H2",JMXMXKRNIYCNRV-UHFFFAOYSA-N,C3H9O3P,124.08,124.0289311,-1.8,60.7,31,0,3,3,3,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
IRON ARSENIDE (FEAS2),012006-21-2,159390,bis(arsanylidyne)iron,[Fe](#[As])#[As],InChI=1S/2As.Fe,YZGDXCSWFQZASX-UHFFFAOYSA-N,As2Fe,205.69,205.77812,,0,72,0,0,0,0,3,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"DODECANOIC ACID, BARIUM CADMIUM SALT",015337-60-7,159754,barium(2+);cadmium(2+);dodecanoic acid,CCCCCCCCCCCC(=O)O.[Cd+2].[Ba+2],"InChI=1S/C12H24O2.Ba.Cd/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;;/h2-11H2,1H3,(H,13,14);;/q;2*+2",GDQLRTRAFQBKOA-UHFFFAOYSA-N,C12H24BaCdO2+4,450.06,451.986242,,37.3,132,4,1,2,10,16,,,0,1,1,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"ARSENATE(1-), HEXAFLUORO-, POTASSIUM",017029-22-0,159810,potassium hexafluoroarsenic(1-),F[As-](F)(F)(F)(F)F.[K+],"InChI=1S/AsF6.K/c2-1(3,4,5,6)7;/q-1;+1",DITNVAZRXJOPSJ-UHFFFAOYSA-N,AsF6K,228.0103,227.87572,,0,62,0,0,7,0,8,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
MOLYBDENUM ZINC OXIDE,061583-60-6,160987,zinc;molybdenum;tetrakis(oxygen(2-)),[O-2].[O-2].[O-2].[O-2].[Zn+2].[Mo],InChI=1S/Mo.4O.Zn/q;4*-2;+2,CEKVBJSJDXQDQR-UHFFFAOYSA-N,MoO4Zn-6,225.3,225.814204,,4,0,-6,0,4,0,6,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1
"12-HYDROXYOCTADECANOIC ACID, CADMIUM SALT (2:1)",069121-20-6,20512616,cadmium(2+);bis(12-hydroxyoctadecanoate),CCCCCCC(CCCCCCCCCCC(=O)[O-])O.CCCCCCC(CCCCCCCCCCC(=O)[O-])O.[Cd+2],"InChI=1S/2C18H36O3.Cd/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h2*17,19H,2-16H2,1H3,(H,20,21);/q;;+2/p-2",GZAFZVLKVLWJJD-UHFFFAOYSA-L,C36H70CdO6,711.4,712.420605,,121,223,0,2,6,30,43,,,0,1,1,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0
RHENIUM SELENIDE (RESE2),012038-64-1,82865,bis(selanylidene)rhenium,[Se]=[Re]=[Se],InChI=1S/Re.2Se,CUYHGAIVHCHFIA-UHFFFAOYSA-N,ReSe2,344.15,346.7888,,0,18,0,0,0,0,3,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
ARSENIC ACID,007778-39-4,234,arsoric acid,O[As](=O)(O)O,"InChI=1S/AsH3O4/c2-1(3,4)5/h(H3,2,3,4,5)",DJHGAFSJWGLOIV-UHFFFAOYSA-N,AsH3O4,141.943,141.924728,,77.8,49,0,3,4,0,5,,Boiling point (-H2O): 160 °C /Hemihydrate/,1,1,1,1,0,1,1,1,0,0,0,0,0,1,0,0,1,0,0,0
"ETHANOL, 2-HYDRAZINO-",000109-84-2,8017,2-hydrazinylethanol,C(CO)NN,"InChI=1S/C2H8N2O/c3-4-1-2-5/h4-5H,1-3H2",GBHCABUWWQUMAJ-UHFFFAOYSA-N,C2H8N2O,76.1,76.06366288,-1.6,58.3,17,0,3,3,2,5,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-BUTENOIC ACID, 2,3-DICHLORO-4-OXO-, (Z)-",000087-56-9,2771871,"(Z)-2,3-dichloro-4-oxobut-2-enoic acid",C(=O)/C(=C(\C(=O)O)/Cl)/Cl,"InChI=1S/C4H2Cl2O3/c5-2(1-7)3(6)4(8)9/h1H,(H,8,9)/b3-2-",LUMLZKVIXLWTCI-IHWYPQMZSA-N,C4H2Cl2O3,168.96,167.9380993,1.2,54.4,173,0,1,3,2,9,212 °F (100 °C): closed cup,,0,0,0,1,0,0,1,1,0,0,1,0,0,0,0,0,1,1,0,0
BERYLLIUM OXIDE,001304-56-9,14775,oxoberyllium,[Be]=O,InChI=1S/Be.O,LTPBRCUWZOMYOC-UHFFFAOYSA-N,BeO,25.012,25.0070977,,17.1,2,0,0,1,0,2,,3787 °C,0,0,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,1,1,1
METHYL OXALATE,000553-90-2,11120,dimethyl oxalate,COC(=O)C(=O)OC,InChI=1S/C4H6O4/c1-7-3(5)4(6)8-2/h1-2H3,LOMVENUNSWAXEN-UHFFFAOYSA-N,C4H6O4,118.09,118.0266087,-0.2,52.6,92,0,0,4,3,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
THIOPHOSPHORYL CHLORIDE,003982-91-0,19883,trichloro(sulfanylidene)-lambda5-phosphane,P(=S)(Cl)(Cl)Cl,"InChI=1S/Cl3PS/c1-4(2,3)5",WQYSXVGEZYESBR-UHFFFAOYSA-N,Cl3PS,169.4,167.852391,3.5,32.1,53,0,0,1,0,5,,125 °C @ 760 MM HG,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-DIAMINO-2-HYDROXYPROPANE",000616-29-5,61157,"1,3-diaminopropan-2-ol",C(C(CN)O)N,"InChI=1S/C3H10N2O/c4-1-3(6)2-5/h3,6H,1-2,4-5H2",UYBWIEGTWASWSR-UHFFFAOYSA-N,C3H10N2O,90.12,90.07931295,-2.3,72.3,28,0,3,3,2,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
TERBIUM OXALATE DECAHYDRATE,024670-06-2,164770,oxalate;bis(terbium(3+)),C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Tb+3].[Tb+3],"InChI=1S/3C2H2O4.2Tb/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6",JZNKXIAEFQDQDF-UHFFFAOYSA-H,C6O12Tb2,581.91,581.78968,,241,60,0,0,12,0,20,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
DI-T-BUTOXYDIACETOXYSILANE,013170-23-5,83199,[acetyloxy-bis[(2-methylpropan-2-yl)oxy]silyl] acetate,CC(=O)O[Si](OC(=O)C)(OC(C)(C)C)OC(C)(C)C,"InChI=1S/C12H24O6Si/c1-9(13)15-19(16-10(2)14,17-11(3,4)5)18-12(6,7)8/h1-8H3",OPARTXXEFXPWJL-UHFFFAOYSA-N,C12H24O6Si,292.4,292.134215,,71.1,305,0,0,6,8,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"N,N-DIMETHYLDECYLAMINE",001120-24-7,70711,"N,N-dimethyldecan-1-amine",CCCCCCCCCCN(C)C,"InChI=1S/C12H27N/c1-4-5-6-7-8-9-10-11-12-13(2)3/h4-12H2,1-3H3",YWWNNLPSZSEZNZ-UHFFFAOYSA-N,C12H27N,185.35,185.2143499,5.3,3.2,89,0,0,1,9,13,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
5-AMINO-1-PENTANOL,002508-29-4,75634,5-aminopentan-1-ol,C(CCN)CCO,"InChI=1S/C5H13NO/c6-4-2-1-3-5-7/h7H,1-6H2",LQGKDMHENBFVRC-UHFFFAOYSA-N,C5H13NO,103.16,103.099714,-0.3,46.3,31,0,2,2,4,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
6-AMINO-HEXANENITRILE,002432-74-8,17079,6-aminohexanenitrile,C(CCC#N)CCN,"InChI=1S/C6H12N2/c7-5-3-1-2-4-6-8/h1-5,7H2",KBMSFJFLSXLIDJ-UHFFFAOYSA-N,C6H12N2,112.17,112.1000484,0,49.8,79,0,1,2,4,8,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHACROLEIN DIACETATE,010476-95-6,25305,(1-acetyloxy-2-methylprop-2-enyl) acetate,CC(=C)C(OC(=O)C)OC(=O)C,"InChI=1S/C8H12O4/c1-5(2)8(11-6(3)9)12-7(4)10/h8H,1H2,2-4H3",QFXJBPCTHSTOPE-UHFFFAOYSA-N,C8H12O4,172.18,172.0735589,1.4,52.6,191,0,0,4,5,12,215 °C (open cup),"375.8 °F at 760 mmHg (EPA, 1998)",0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHOSPHORIC ACID, 2-ETHYLHEXYL ESTER",012645-31-7,83024,2-ethylhexan-1-ol;phosphoric acid,CCCCC(CC)CO.OP(=O)(O)O,"InChI=1S/C8H18O.H3O4P/c1-3-5-6-8(4-2)7-9;1-5(2,3)4/h8-9H,3-7H2,1-2H3;(H3,1,2,3,4)",FZQYZMODYSBPES-UHFFFAOYSA-N,C8H21O5P,228.22,228.1126608,,98,102,0,4,5,5,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
IODOETHANE-D5,006485-58-1,2724853,"1,1,1,2,2-pentadeuterio-2-iodoethane",[2H]C([2H])([2H])C([2H])([2H])I,"InChI=1S/C2H5I/c1-2-3/h2H2,1H3/i1D3,2D2",HVTICUPFWKNHNG-ZBJDZAJPSA-N,C2H5I,161,160.97498,2.1,0,2,0,0,0,0,3,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"DI-TERT-BUTYL (AZANEDIYLBIS(ETHANE-2,1-DIYL))DICARBAMATE",117499-16-8,15157893,tert-butyl N-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]ethyl]carbamate,CC(C)(C)OC(=O)NCCNCCNC(=O)OC(C)(C)C,"InChI=1S/C14H29N3O4/c1-13(2,3)20-11(18)16-9-7-15-8-10-17-12(19)21-14(4,5)6/h15H,7-10H2,1-6H3,(H,16,18)(H,17,19)",KNORWRWRHNHJAV-UHFFFAOYSA-N,C14H29N3O4,303.4,303.2158064,1.2,88.7,300,0,3,5,10,21,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-PROPANEDIAMINE, N,N-DIBUTYL-",000102-83-0,1626,"N',N'-dibutylpropane-1,3-diamine",CCCCN(CCCC)CCCN,"InChI=1S/C11H26N2/c1-3-5-9-13(10-6-4-2)11-7-8-12/h3-12H2,1-2H3",KYCGURZGBKFEQB-UHFFFAOYSA-N,C11H26N2,186.34,186.2095988,2.2,29.3,86,0,1,2,9,13,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Valeric acid, 2-propyl-, sodium salt",001069-66-5,16760703,sodium 2-propylpentanoate,CCCC(CCC)C(=O)[O-].[Na+],"InChI=1S/C8H16O2.Na/c1-3-5-7(6-4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1",AEQFSUDEHCCHBT-UHFFFAOYSA-M,C8H15NaO2,166.19,166.096974,,40.1,98,0,0,2,5,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"PHOSPHORODICHLORIDOTHIOIC ACID, O-ETHYL ESTER",001498-64-2,73907,dichloro-ethoxy-sulfanylidene-lambda5-phosphane,CCOP(=S)(Cl)Cl,"InChI=1S/C2H5Cl2OPS/c1-2-5-6(3,4)7/h2H2,1H3",SMODMOZAUKBGGM-UHFFFAOYSA-N,C2H5Cl2OPS,179,177.9175783,3.1,41.3,89,0,0,2,2,7,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BUTANAMIDE, 2-CHLORO-N,N-DIMETHYL-3-OXO-",005810-11-7,93011,"2-chloro-N,N-dimethyl-3-oxobutanamide",CC(=O)C(C(=O)N(C)C)Cl,"InChI=1S/C6H10ClNO2/c1-4(9)5(7)6(10)8(2)3/h5H,1-3H3",QJACRCAPQIYMIH-UHFFFAOYSA-N,C6H10ClNO2,163.6,163.0400063,0.3,37.4,156,0,0,2,2,10,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
LEAD TUNGSTEN OXIDE (PBWO4),007759-01-5,24464,dioxido(dioxo)tungsten;lead(2+),[O-][W](=O)(=O)[O-].[Pb+2],InChI=1S/4O.Pb.W/q;;2*-1;+2;,NKTZYSOLHFIEMF-UHFFFAOYSA-N,O4PbW,455,455.90724,,80.3,62,0,0,4,0,6,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"GLYCINE, N,N-BIS(CARBOXYMETHYL)-, SODIUM SALT",010042-84-9,23674482,sodium 2-[bis(carboxymethyl)amino]acetate,C(C(=O)O)N(CC(=O)O)CC(=O)[O-].[Na+],"InChI=1S/C6H9NO6.Na/c8-4(9)1-7(2-5(10)11)3-6(12)13;/h1-3H2,(H,8,9)(H,10,11)(H,12,13);/q;+1/p-1",ZAWGLAXBGYSUHN-UHFFFAOYSA-M,C6H8NNaO6,213.12,213.0249313,,118,214,0,2,7,6,14,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"NEODECANOIC ACID, MANGANESE SALT",027253-32-3,117960,"manganese(2+);bis(3,3,5,5-tetramethylhexanoate)",CC(C)(C)CC(C)(C)CC(=O)[O-].CC(C)(C)CC(C)(C)CC(=O)[O-].[Mn+2],"InChI=1S/2C10H20O2.Mn/c2*1-9(2,3)7-10(4,5)6-8(11)12;/h2*6-7H2,1-5H3,(H,11,12);/q;;+2/p-2",QPTLZSCCHURYRY-UHFFFAOYSA-L,C20H38MnO4,397.5,397.215053,,80.3,158,0,0,4,6,25,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,1,0
"1-DECENE-1-SULFONIC ACID, SODIUM SALT",041999-41-1,6450292,(E)-dec-1-ene-1-sulfonic acid,CCCCCCCC/C=C/S(=O)(=O)O,"InChI=1S/C10H20O3S/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h9-10H,2-8H2,1H3,(H,11,12,13)/b10-9+",SVDCMXMRTJEAHD-MDZDMXLPSA-N,C10H20O3S,220.33,220.1133157,3.5,62.8,237,0,1,3,8,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ALPHA.-ISODECYL-OMEGA.-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)",061827-42-7,94600,2-(8-methylnonoxy)ethanol,CC(C)CCCCCCCOCCO,"InChI=1S/C12H26O2/c1-12(2)8-6-4-3-5-7-10-14-11-9-13/h12-13H,3-11H2,1-2H3",LHTCFGRXHNJRBP-UHFFFAOYSA-N,C12H26O2,202.33,202.1932801,3.7,29.5,102,0,1,2,10,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphonic acid, (4-amino-1-hydroxybutylidene)bis-, monosodium salt",121268-17-5,23681107,sodium;(4-amino-1-hydroxy-1-phosphonobutyl)-hydroxyphosphinate;trihydrate,C(CC(O)(P(=O)(O)O)P(=O)(O)[O-])CN.O.O.O.[Na+],"InChI=1S/C4H13NO7P2.Na.3H2O/c5-3-1-2-4(6,13(7,8)9)14(10,11)12;;;;/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12);;3*1H2/q;+1;;;/p-1",DCSBSVSZJRSITC-UHFFFAOYSA-M,C4H18NNaO10P2,325.12,325.0303641,,167,293,0,8,11,5,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,1,1
ETHYL FUMARATE,000623-91-6,638144,diethyl (E)-but-2-enedioate,CCOC(=O)/C=C/C(=O)OCC,"InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5+",IEPRKVQEAMIZSS-AATRIKPKSA-N,C8H12O4,172.18,172.0735589,0.9,52.6,163,0,0,4,6,12,104 °C Closed Cup,214 °C,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,1,1
PLATINUM ACETYLACETONATE,015170-57-7,10960186,bis((Z)-4-hydroxypent-3-en-2-one);platinum,C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.[Pt],"InChI=1S/2C5H8O2.Pt/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/b2*4-3-;",VEJOYRPGKZZTJW-FDGPNNRMSA-N,C10H16O4Pt,395.32,395.069653,,74.6,239,0,2,4,2,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
SODIUM ORTHOVANADATE,013721-39-6,61671,trisodium;trioxido(oxo)vanadium,[O-][V](=O)([O-])[O-].[Na+].[Na+].[Na+],InChI=1S/3Na.4O.V/q3*+1;;3*-1;,IHIXIJGXTJIKRB-UHFFFAOYSA-N,Na3O4V,183.908,183.892924,,86.3,36,0,0,4,0,8,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PENTADECANENITRILE,018300-91-9,87568,pentadecanenitrile,CCCCCCCCCCCCCCC#N,"InChI=1S/C15H29N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-14H2,1H3",KRKQHNVYOWTEQO-UHFFFAOYSA-N,C15H29N,223.4,223.2299999,6.4,23.8,166,0,0,1,12,16,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
METHYLTRIOCTYLAMMONIUM NITRATE,006243-39-6,11059075,methyl(trioctyl)azanium nitrate,CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.[N+](=O)([O-])[O-],"InChI=1S/C25H54N.NO3/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;2-1(3)4/h5-25H2,1-4H3;/q+1;-1",UEPYVEILIFKOAA-UHFFFAOYSA-N,C25H54N2O3,430.7,430.4134436,,62.9,239,0,0,3,21,30,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-PROPANEDITHIOL",000109-80-8,8013,"propane-1,3-dithiol",C(CS)CS,"InChI=1S/C3H8S2/c4-2-1-3-5/h4-5H,1-3H2",ZJLMKPKYJBQJNH-UHFFFAOYSA-N,C3H8S2,108.23,108.0067426,1.2,2,12,0,2,2,2,5,"138 °F (NTP, 1992)","336 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRABUTYLGERMANIUM,001067-42-1,70599,tetrabutylgermane,CCCC[Ge](CCCC)(CCCC)CCCC,"InChI=1S/C16H36Ge/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3",HDVLQIDIYKIVRE-UHFFFAOYSA-N,C16H36Ge,301.1,302.2028789,,0,116,0,0,0,12,17,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-AMINOETHANETHIOL HYDROCHLORIDE,000156-57-0,9082,2-aminoethanethiol;hydrochloride,C(CS)N.Cl,"InChI=1S/C2H7NS.ClH/c3-1-2-4;/h4H,1-3H2;1H",OGMADIBCHLQMIP-UHFFFAOYSA-N,C2H8ClNS,113.61,113.0065981,,27,10,0,3,2,1,5,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,1
TERT-BUTYL CARBAMATE,004248-19-5,77922,tert-butyl carbamate,CC(C)(C)OC(=O)N,"InChI=1S/C5H11NO2/c1-5(2,3)8-4(6)7/h1-3H3,(H2,6,7)",LFKDJXLFVYVEFG-UHFFFAOYSA-N,C5H11NO2,117.15,117.0789786,0.5,52.3,93,0,1,2,2,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-CARBAMYL-B-ALANINE,000462-88-4,111,3-(carbamoylamino)propanoic acid,C(CNC(=O)N)C(=O)O,"InChI=1S/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9)",JSJWCHRYRHKBBW-UHFFFAOYSA-N,C4H8N2O3,132.12,132.0534921,-1.5,92.4,123,0,3,3,3,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LITHIUM TANTALUM OXIDE (LITAO3),012031-66-2,159405,lithium;tris(oxygen(2-));tantalum(5+),[Li+].[O-2].[O-2].[O-2].[Ta+5],InChI=1S/Li.3O.Ta/q+1;3*-2;+5,JNQQEOHHHGGZCY-UHFFFAOYSA-N,LiO3Ta,235.9,235.94875,,3,0,0,0,3,0,5,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"NITRILOTRIACETIC ACID, DISODIUM SALT",015467-20-6,27301,disodium;2-[carboxylatomethyl(carboxymethyl)amino]acetate,C(C(=O)O)N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+],"InChI=1S/C6H9NO6.2Na/c8-4(9)1-7(2-5(10)11)3-6(12)13;;/h1-3H2,(H,8,9)(H,10,11)(H,12,13);;/q;2*+1/p-2",RHPXYIKALIRNFA-UHFFFAOYSA-L,C6H7NNa2O6,235.1,235.0068755,,121,198,0,1,7,4,15,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-BUTENE-1,2-DIOL",000497-06-3,10338,"but-3-ene-1,2-diol",C=CC(CO)O,"InChI=1S/C4H8O2/c1-2-4(6)3-5/h2,4-6H,1,3H2",ITMIAZBRRZANGB-UHFFFAOYSA-N,C4H8O2,88.11,88.05242949,-0.5,40.5,42,0,2,2,2,6,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TERT-BUTYL N-HYDROXYCARBAMATE,036016-38-3,97534,tert-butyl N-hydroxycarbamate,CC(C)(C)OC(=O)NO,"InChI=1S/C5H11NO3/c1-5(2,3)9-4(7)6-8/h8H,1-3H3,(H,6,7)",DRDVJQOGFWAVLH-UHFFFAOYSA-N,C5H11NO3,133.15,133.0738932,0.4,58.6,105,0,2,3,2,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LITHIUM CHLORIDE (6LiCl),020227-31-0,44152111,hexalithium;hexachloride,[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-],InChI=1S/6ClH.6Li/h6*1H;;;;;;/q;;;;;;6*+1/p-6,GCPNLDYWHHIXMX-UHFFFAOYSA-H,Cl6Li6,255,253.906187,,0,0,0,0,6,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TITANIUM(IV) OXYACETYLACETONATE,014024-64-7,539986,bis(4-hydroxypent-3-en-2-one);oxotitanium,CC(=CC(=O)C)O.CC(=CC(=O)C)O.O=[Ti],"InChI=1S/2C5H8O2.O.Ti/c2*1-4(6)3-5(2)7;;/h2*3,6H,1-2H3;;",ADVORQMAWLEPOI-UHFFFAOYSA-N,C10H16O5Ti,264.1,264.0477143,,91.7,253,0,2,5,2,16,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9-OCTADECENOIC ACID (Z)-, BARIUM SALT",000591-65-1,13685672,barium(2+);bis((Z)-octadec-9-enoate),CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[Ba+2],"InChI=1S/2C18H34O2.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+2/p-2/b2*10-9-;",BHDOPTZJCSDVJE-CVBJKYQLSA-L,C36H66BaO4,700.2,700.401358,,80.3,228,0,0,4,28,41,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-DODECANAMINE, HYDROCHLORIDE",000929-73-7,458426,dodecan-1-amine;hydrochloride,CCCCCCCCCCCCN.Cl,"InChI=1S/C12H27N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13;/h2-13H2,1H3;1H",TWFQJFPTTMIETC-UHFFFAOYSA-N,C12H28ClN,221.81,221.1910276,,26,81,0,2,1,10,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ACETIC ACID, 2-ACETYLHYDRAZIDE",003148-73-0,72884,N'-acetylacetohydrazide,CC(=O)NNC(=O)C,"InChI=1S/C4H8N2O2/c1-3(7)5-6-4(2)8/h1-2H3,(H,5,7)(H,6,8)",ZLHNYIHIHQEHJQ-UHFFFAOYSA-N,C4H8N2O2,116.12,116.0585775,-1,58.2,96,0,2,2,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-PROPANAMINE, 3-CHLORO-N,N-DIMETHYL-, HYDROCHLORIDE",005407-04-5,94308,"3-chloro-N,N-dimethylpropan-1-amine;hydrochloride",CN(C)CCCCl.Cl,"InChI=1S/C5H12ClN.ClH/c1-7(2)5-3-4-6;/h3-5H2,1-2H3;1H",LJQNMDZRCXJETK-UHFFFAOYSA-N,C5H13Cl2N,158.07,157.0425048,,3.2,37,0,1,1,3,8,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHOROFLUORIDIC ACID, SODIUM SALT",007631-97-2,24266,disodium;fluoro-dioxido-oxo-lambda5-phosphane,[O-]P(=O)([O-])F.[Na+].[Na+],"InChI=1S/FH2O3P.2Na/c1-5(2,3)4;;/h(H2,2,3,4);;/q;2*+1/p-2",BFDWBSRJQZPEEB-UHFFFAOYSA-L,FNa2O3P,143.95,143.9364476,,63.2,49,0,0,4,0,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PROPANAMIDE, 2-CHLORO-N,N-DIMETHYL-",010397-68-9,112034,"2-chloro-N,N-dimethylpropanamide",CC(C(=O)N(C)C)Cl,"InChI=1S/C5H10ClNO/c1-4(6)5(8)7(2)3/h4H,1-3H3",WDOAUKIEENWZNC-UHFFFAOYSA-N,C5H10ClNO,135.59,135.0450916,0.7,20.3,92,0,0,1,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MANGANESE TUNGSTEN OXIDE (MNWO4),014177-46-9,84239,dioxido(dioxo)tungsten;manganese(2+),[O-][W](=O)(=O)[O-].[Mn+2],InChI=1S/Mn.4O.W/q+2;;;2*-1;,CRLHSBRULQUYOK-UHFFFAOYSA-N,MnO4W,302.78,302.868635,,80.3,62,0,0,4,0,6,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"STANNANE, BUTYLTRIS(DODECYLTHIO)-",015666-28-1,85041,butyl-tris(dodecylsulfanyl)stannane,CCCCCCCCCCCCS[Sn](CCCC)(SCCCCCCCCCCCC)SCCCCCCCCCCCC,"InChI=1S/3C12H26S.C4H9.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13;1-3-4-2;/h3*13H,2-12H2,1H3;1,3-4H2,2H3;/q;;;;+3/p-3",BXTPXLVVVVHPKJ-UHFFFAOYSA-K,C40H84S3Sn,780,780.475719,,75.9,450,0,0,3,39,44,,,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"ETHANOL, 2-AMINO-, ACETATE (SALT)",054300-24-2,108573,acetic acid;2-aminoethanol,CC(=O)O.C(CO)N,"InChI=1S/C2H7NO.C2H4O2/c3-1-2-4;1-2(3)4/h4H,1-3H2;1H3,(H,3,4)",VVLAIYIMMFWRFW-UHFFFAOYSA-N,C4H11NO3,121.14,121.0738932,,83.6,41,0,3,4,1,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"NEODECANOIC ACID, INDIUM(3+) SALT",068310-35-0,110024,"indium(3+);tris(3,3,5,5-tetramethylhexanoate)",CC(C)(C)CC(C)(C)CC(=O)[O-].CC(C)(C)CC(C)(C)CC(=O)[O-].CC(C)(C)CC(C)(C)CC(=O)[O-].[In+3],"InChI=1S/3C10H20O2.In/c3*1-9(2,3)7-10(4,5)6-8(11)12;/h3*6-7H2,1-5H3,(H,11,12);/q;;;+3/p-3",QCXCZCSWWHCVIF-UHFFFAOYSA-K,C30H57InO6,628.6,628.3193933,,120,158,0,0,6,9,37,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIBUTYLMETHYLAMMONIUM DIBUTYL PHOSPHATE,922724-14-9,16218229,dibutyl phosphate;tributyl(methyl)azanium,CCCC[N+](C)(CCCC)CCCC.CCCCOP(=O)([O-])OCCCC,"InChI=1S/C13H30N.C8H19O4P/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;1-3-5-7-11-13(9,10)12-8-6-4-2/h5-13H2,1-4H3;3-8H2,1-2H3,(H,9,10)/q+1;/p-1",JDRIIKLOBAZQQE-UHFFFAOYSA-M,C21H48NO4P,409.6,409.332096,,58.6,237,0,0,4,17,27,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
OCTYLDIMETHYLMETHOXYSILANE,093804-29-6,175558,methoxy-dimethyl-octylsilane,CCCCCCCC[Si](C)(C)OC,"InChI=1S/C11H26OSi/c1-5-6-7-8-9-10-11-13(3,4)12-2/h5-11H2,1-4H3",BAXHQTUUOKMMGV-UHFFFAOYSA-N,C11H26OSi,202.41,202.175292,,9.2,113,0,0,1,8,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
LITHIUM THIOCYANATE,000556-65-0,23673451,lithium thiocyanate,[Li+].C(#N)[S-],InChI=1S/CHNS.Li/c2-1-3;/h3H;/q;+1/p-1,ZJZXSOKJEJFHCP-UHFFFAOYSA-M,CLiNS,65.1,64.99114861,,24.8,34,0,0,2,0,4,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
HEXADECANENITRILE,000629-79-8,69424,hexadecanenitrile,CCCCCCCCCCCCCCCC#N,"InChI=1S/C16H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-15H2,1H3",WGXGAUQEMYSVJM-UHFFFAOYSA-N,C16H31N,237.42,237.24565,6.9,23.8,177,0,0,1,13,17,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
POTASSIUM THIOCYANATE,000333-20-0,516872,potassium thiocyanate,C(#N)[S-].[K+],InChI=1S/CHNS.K/c2-1-3;/h3H;/q;+1/p-1,ZNNZYHKDIALBAK-UHFFFAOYSA-M,CKNS,97.18,96.93885166,,24.8,34,0,0,2,0,4,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"CYANAMIDE, LEAD(2+) SALT (1:1)",020837-86-9,57375663,cyanamide;lead(2+),C(#N)N.[Pb+2],InChI=1S/CH2N2.Pb/c2-1-3;/h2H2;/q;+2,HBROYSQCJFVOHF-UHFFFAOYSA-N,CH2N2Pb+2,249,249.99845,,49.8,29,2,1,2,0,4,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
LITHIUM HEPTADECAFLUOROOCTANESULFONATE,029457-72-5,23677927,"lithium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate",[Li+].C(C(C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C8HF17O3S.Li/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;/h(H,26,27,28);/q;+1/p-1",XVCUGNWRDDNCRD-UHFFFAOYSA-M,C8F17LiO3S,506.1,505.9456722,,65.6,733,0,0,20,7,30,,,0,0,1,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,0
CROTONIC ACID,003724-65-0,637090,(E)-but-2-enoic acid,C/C=C/C(=O)O,"InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+",LDHQCZJRKDOVOX-NSCUHMNNSA-N,C4H6O2,86.09,86.03677943,0.7,37.3,73,0,1,2,1,6,"190 °F (NFPA, 2010)",185 °C,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ETHANEDIOIC ACID, IRON(3+) SODIUM SALT (3:1:3)",000555-34-0,168920,trisodium;iron(3+);oxalate,C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Na+].[Na+].[Na+].[Fe+3],"InChI=1S/3C2H2O4.Fe.3Na/c3*3-1(4)2(5)6;;;;/h3*(H,3,4)(H,5,6);;;;/q;;;+3;3*+1/p-6",XIPRSXSGWQCSHH-UHFFFAOYSA-H,C6FeNa3O12,388.87,388.843219,,241,60,0,0,12,0,22,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ACETAMIDE, 2-CYANO-N-[(ETHYLAMINO)CARBONYL]-2-(METHOXYIMINO)-",057966-95-7,5364079,(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide,CCNC(=O)NC(=O)/C(=N/OC)/C#N,"InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+",XERJKGMBORTKEO-VZUCSPMQSA-N,C7H10N4O3,198.18,198.0752902,0.7,104,301,0,2,5,3,14,,,1,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,1,1,0
C.I. PIGMENT ORANGE 21,001344-38-3,29078,dioxido(dioxo)chromium;lead(2+);oxolead,[O-][Cr](=O)(=O)[O-].O=[Pb].[Pb+2],InChI=1S/Cr.5O.2Pb/q;;;;2*-1;;+2,BXVHGCHMBBNRBU-UHFFFAOYSA-N,CrO5Pb2,550,547.86838,,97.3,64,0,0,5,0,8,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
BROMODICHLOROMETHANE,000075-27-4,6359,bromo(dichloro)methane,C(Cl)(Cl)Br,InChI=1S/CHBrCl2/c2-1(3)4/h1H,FMWLUWPQPKEARP-UHFFFAOYSA-N,CHBrCl2,163.83,161.86387,2.4,0,13,0,0,0,0,4,,"189 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,1,2,2,3,3,4,4,5,5,6,6,6-TRIDECAFLUORO-1-HEXANESULFONIC ACID",000355-46-4,67734,"1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonic acid",C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F,"InChI=1S/C6HF13O3S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22/h(H,20,21,22)",QZHDEAJFRJCDMF-UHFFFAOYSA-N,C6HF13O3S,400.12,399.9438812,3.7,62.8,553,0,1,16,5,23,,238-239 °C,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
1-DOCOSENE,001599-67-3,74138,docos-1-ene,CCCCCCCCCCCCCCCCCCCCC=C,"InChI=1S/C22H44/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-22H2,2H3",SPURMHFLEKVAAS-UHFFFAOYSA-N,C22H44,308.6,308.3443014,12.2,0,194,0,0,0,19,22,,,0,0,0,0,1,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
4-METHYLPENTANOIC ACID,000646-07-1,12587,4-methylpentanoic acid,CC(C)CCC(=O)O,"InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)",FGKJLKRYENPLQH-UHFFFAOYSA-N,C6H12O2,116.16,116.0837296,1.4,37.3,76,0,1,2,3,8,,199.00 to 201.00 °C. @ 760.00 mm Hg,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-HYDROXYETHYL ACRYLATE,000818-61-1,13165,2-hydroxyethyl prop-2-enoate,C=CC(=O)OCCO,"InChI=1S/C5H8O3/c1-2-5(7)8-4-3-6/h2,6H,1,3-4H2",OMIGHNLMNHATMP-UHFFFAOYSA-N,C5H8O3,116.11,116.0473441,-0.2,46.5,87,0,1,3,4,8,"214 °F (NFPA, 2010)","greater than 346 °F at 760 mmHg (USCG, 1999)",1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"ETHANOL, 2-[(1,1-DIMETHYLETHYL)AMINO]-",004620-70-6,78361,2-(tert-butylamino)ethanol,CC(C)(C)NCCO,"InChI=1S/C6H15NO/c1-6(2,3)7-4-5-8/h7-8H,4-5H2,1-3H3",IUXYVKZUDNLISR-UHFFFAOYSA-N,C6H15NO,117.19,117.1153641,0.4,32.3,56,0,2,2,3,8,,,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PROPANENITRILE, 3-[[2-[[2-[(2-AMINOETHYL)AMINO]ETHYL]AMINO]ETHYL]AMINO]-",068310-68-9,110031,3-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]propanenitrile,C(CNCCNCCNCCN)C#N,"InChI=1S/C9H21N5/c10-2-1-4-12-6-8-14-9-7-13-5-3-11/h12-14H,1,3-9,11H2",IHUXKNVDSOLKCH-UHFFFAOYSA-N,C9H21N5,199.3,199.1796957,-2.3,85.9,151,0,4,5,10,14,,,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
DIMETHYL(3-((2-METHYL-1-OXOALLYL)AMINO)PROPYL)-3-SULPHOPROPYLAMMONIUM HYDROXIDE,005205-95-8,78883,3-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]propane-1-sulfonate,CC(=C)C(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-],"InChI=1S/C12H24N2O4S/c1-11(2)12(15)13-7-5-8-14(3,4)9-6-10-19(16,17)18/h1,5-10H2,2-4H3,(H-,13,15,16,17,18)",OIETYYKGJGVJFT-UHFFFAOYSA-N,C12H24N2O4S,292.4,292.1456784,0.1,94.7,397,0,1,4,8,19,,,0,1,1,0,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,0
"1-HEXANOL, 6-CHLORO-",002009-83-8,74828,6-chlorohexan-1-ol,C(CCCCl)CCO,"InChI=1S/C6H13ClO/c7-5-3-1-2-4-6-8/h8H,1-6H2",JNTPTNNCGDAGEJ-UHFFFAOYSA-N,C6H13ClO,136.62,136.0654927,1.6,20.2,39,0,1,1,5,8,,,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-BUTYNOIC ACID,000590-93-2,68535,but-2-ynoic acid,CC#CC(=O)O,"InChI=1S/C4H4O2/c1-2-3-4(5)6/h1H3,(H,5,6)",LUEHNHVFDCZTGL-UHFFFAOYSA-N,C4H4O2,84.07,84.02112937,0.8,37.3,112,0,1,2,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,2-BIS(CHLORODIMETHYLSILYL)ETHANE",013528-93-3,83552,chloro-[2-[chloro(dimethyl)silyl]ethyl]-dimethylsilane,C[Si](C)(CC[Si](C)(C)Cl)Cl,"InChI=1S/C6H16Cl2Si2/c1-9(2,7)5-6-10(3,4)8/h5-6H2,1-4H3",VGQOKOYKFDUPPJ-UHFFFAOYSA-N,C6H16Cl2Si2,215.26,214.016759,,0,98,0,0,0,3,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
DL-2-HYDROXYDECANOIC ACID,005393-81-7,21488,2-hydroxydecanoic acid,CCCCCCCCC(C(=O)O)O,"InChI=1S/C10H20O3/c1-2-3-4-5-6-7-8-9(11)10(12)13/h9,11H,2-8H2,1H3,(H,12,13)",GHPVDCPCKSNJDR-UHFFFAOYSA-N,C10H20O3,188.26,188.1412445,3.1,57.5,134,0,2,3,8,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHOXYACETIC ACID,000627-03-2,12301,2-ethoxyacetic acid,CCOCC(=O)O,"InChI=1S/C4H8O3/c1-2-7-3-4(5)6/h2-3H2,1H3,(H,5,6)",YZGQDNOIGFBYKF-UHFFFAOYSA-N,C4H8O3,104.1,104.0473441,0,46.5,60,0,1,3,3,7,"208 °F (NTP, 1992)","403 to 405 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SULFUR TRIOXIDE,007446-11-9,24682,sulfur trioxide,O=S(=O)=O,InChI=1S/O3S/c1-4(2)3,AKEJUJNQAAGONA-UHFFFAOYSA-N,O3S,80.07,79.95681503,-0.5,52.2,61,0,0,3,0,4,,"113 °F at 760 mmHg all forms (EPA, 1998)",0,0,1,0,0,1,1,1,0,0,0,0,0,0,0,0,1,0,0,1
TRICHLOROSILANE-3-CYANOPROPYL,001071-27-8,14063,4-trichlorosilylbutanenitrile,C(CC#N)C[Si](Cl)(Cl)Cl,"InChI=1S/C4H6Cl3NSi/c5-9(6,7)4-2-1-3-8/h1-2,4H2",HMFFOEBLYHLRQN-UHFFFAOYSA-N,C4H6Cl3NSi,202.54,200.933509,,23.8,122,0,0,1,2,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
S-CARBOXYMETHYL-L-CYSTEINE,000638-23-3,193653,(2R)-2-amino-3-(carboxymethylsulfanyl)propanoic acid,C([C@@H](C(=O)O)N)SCC(=O)O,"InChI=1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1",GBFLZEXEOZUWRN-VKHMYHEASA-N,C5H9NO4S,179.2,179.0252289,-3.1,126,161,0,3,6,5,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
ACETYL PHOSPHATE LITHIUM POTASSIUM,094249-01-1,71300541,lithium;potassium;phosphono acetate,[Li+].CC(=O)OP(=O)(O)O.[K+],"InChI=1S/C2H5O5P.K.Li/c1-2(3)7-8(4,5)6;;/h1H3,(H2,4,5,6);;/q;2*+1",RLQMPLKXFIXRCV-UHFFFAOYSA-N,C2H5KLiO5P+2,186.1,185.9671702,,83.8,133,2,2,5,2,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0
(S)-(+)-1-AMINO-2-PROPANOL,002799-17-9,7311736,(2S)-1-aminopropan-2-ol,C[C@@H](CN)O,"InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/t3-/m0/s1",HXKKHQJGJAFBHI-VKHMYHEASA-N,C3H9NO,75.11,75.06841391,-1,46.3,22,0,2,2,1,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"METHACRYLIC ACID, 3-(TRICHLOROSILYL)PROPYL ESTER",007351-61-3,81811,3-trichlorosilylpropyl 2-methylprop-2-enoate,CC(=C)C(=O)OCCC[Si](Cl)(Cl)Cl,"InChI=1S/C7H11Cl3O2Si/c1-6(2)7(11)12-4-3-5-13(8,9)10/h1,3-5H2,2H3",DOGMJCPBZJUYGB-UHFFFAOYSA-N,C7H11Cl3O2Si,261.6,259.959389,,26.3,200,0,0,2,5,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"ALPHA-METHYL-OMEGA-(3-(TRICHLOROSILYL)PROPOXY)POLY(OXY-1,2-ETHANEDIYL)",036493-41-1,71360816,trichloro-[3-(2-methoxyethoxy)propyl]silane,COCCOCCC[Si](Cl)(Cl)Cl,"InChI=1S/C6H13Cl3O2Si/c1-10-4-5-11-3-2-6-12(7,8)9/h2-6H2,1H3",DGTBKVZURRVYSG-UHFFFAOYSA-N,C6H13Cl3O2Si,251.6,249.975039,,18.5,107,0,0,2,6,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
DEUTERIUM BROMIDE,013536-59-9,518779,(2H)bromane,[2H]Br,InChI=1S/BrH/h1H/i/hD,CPELXLSAUQHCOX-DYCDLGHISA-N,BrH,81.92,80.93244,1,0,0,0,1,0,0,1,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
2-MERCAPTOETHANESULPHONIC ACID,003375-50-6,598,2-sulfanylethanesulfonic acid,C(CS(=O)(=O)O)S,"InChI=1S/C2H6O3S2/c3-7(4,5)2-1-6/h6H,1-2H2,(H,3,4,5)",ZNEWHQLOPFWXOF-UHFFFAOYSA-N,C2H6O3S2,142.2,141.9758364,-0.6,63.8,118,0,2,4,2,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
COPPER(II) TETRAFLUOROBORATE HEXAHYDRATE,072259-10-0,15774553,copper;ditetrafluoroborate;hexahydrate,[B-](F)(F)(F)F.[B-](F)(F)(F)F.O.O.O.O.O.O.[Cu+2],"InChI=1S/2BF4.Cu.6H2O/c2*2-1(3,4)5;;;;;;;/h;;;6*1H2/q2*-1;+2;;;;;;",FBYIXFBIARQMJJ-UHFFFAOYSA-N,B2CuF8H12O6,345.25,344.998821,,6,19,0,6,16,0,17,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORIC ACID, MONODECYL ESTER",003921-30-0,62532,decyl dihydrogen phosphate,CCCCCCCCCCOP(=O)(O)O,"InChI=1S/C10H23O4P/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H2,11,12,13)",SCIGVHCNNXTQDB-UHFFFAOYSA-N,C10H23O4P,238.26,238.1333962,2.9,66.8,178,0,2,4,10,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PROPANOYL CHLORIDE, 3-BROMO-",015486-96-1,84944,3-bromopropanoyl chloride,C(CBr)C(=O)Cl,InChI=1S/C3H4BrClO/c4-2-1-3(5)6/h1-2H2,IHBVNSPHKMCPST-UHFFFAOYSA-N,C3H4BrClO,171.42,169.91341,1.5,17.1,54,0,0,1,2,6,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"SODIUM HYDROXIDE, SOLID",001310-73-2,14798,sodium hydroxide,[OH-].[Na+],InChI=1S/Na.H2O/h;1H2/q+1;/p-1,HEMHJVSKTPXQMS-UHFFFAOYSA-M,HNaO,39.997,39.99250893,,1,2,0,1,1,0,2,,"greater than 266 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
CERIUM ACETATE,000537-00-8,10826,cerium(3+) triacetate,CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Ce+3],"InChI=1S/3C2H4O2.Ce/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",VGBWDOLBWVJTRZ-UHFFFAOYSA-K,C6H9CeO6,317.25,316.94536,,120,25,0,0,6,0,13,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
MANGANESE SULFIDE,018820-29-6,87809,sulfanylidenemanganese,S=[Mn],InChI=1S/Mn.S,CADICXFYUNYKGD-UHFFFAOYSA-N,MnS,87.01,86.910114,,32.1,2,0,0,1,0,2,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,1,1
DIBUTYL CARBONATE,000542-52-9,68333,dibutyl carbonate,CCCCOC(=O)OCCCC,"InChI=1S/C9H18O3/c1-3-5-7-11-9(10)12-8-6-4-2/h3-8H2,1-2H3",QLVWOKQMDLQXNN-UHFFFAOYSA-N,C9H18O3,174.24,174.1255944,3,35.5,100,0,0,3,8,12,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
SODIUM N-(2-CARBOXYETHYL)-N-DODECYL-BETA-ALANINATE,014960-06-6,23675351,sodium 3-[2-carboxyethyl(dodecyl)amino]propanoate,CCCCCCCCCCCCN(CCC(=O)O)CCC(=O)[O-].[Na+],"InChI=1S/C18H35NO4.Na/c1-2-3-4-5-6-7-8-9-10-11-14-19(15-12-17(20)21)16-13-18(22)23;/h2-16H2,1H3,(H,20,21)(H,22,23);/q;+1/p-1",LLKGTXLYJMUQJX-UHFFFAOYSA-M,C18H34NNaO4,351.5,351.2385529,,80.7,313,0,1,5,17,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,2,3-PROPANETRIOL, MONO(DIHYDROGEN PHOSPHATE), DIPOTASSIUM SALT",001319-69-3,80278,"dipotassium;2,3-dihydroxypropyl phosphate",C(C(COP(=O)([O-])[O-])O)O.[K+].[K+],"InChI=1S/C3H9O6P.2K/c4-1-3(5)2-9-10(6,7)8;;/h3-5H,1-2H2,(H2,6,7,8);;/q;2*+1/p-2",CHFUHGDBYUITQJ-UHFFFAOYSA-L,C3H7K2O6P,248.25,247.9254379,,113,117,0,2,6,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"HEXANOIC ACID, 2-ETHYL-, BISMUTH(3+) SALT",067874-71-9,3034787,bismuth tris(2-ethylhexanoate),CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Bi+3],"InChI=1S/3C8H16O2.Bi/c3*1-3-5-6-7(4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);/q;;;+3/p-3",NUMHJBONQMZPBW-UHFFFAOYSA-K,C24H45BiO6,638.6,638.30201,,120,93,0,0,6,12,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0
"N,N-DIETHYLDODECANAMIDE",003352-87-2,18783,"N,N-diethyldodecanamide",CCCCCCCCCCCC(=O)N(CC)CC,"InChI=1S/C16H33NO/c1-4-7-8-9-10-11-12-13-14-15-16(18)17(5-2)6-3/h4-15H2,1-3H3",CWNSVVHTTQBGQB-UHFFFAOYSA-N,C16H33NO,255.44,255.2562147,5.6,20.3,188,0,0,1,12,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-DIIODOETHANE",000624-73-7,12224,"1,2-diiodoethane",C(CI)I,InChI=1S/C2H4I2/c3-1-2-4/h1-2H2,GBBZLMLLFVFKJM-UHFFFAOYSA-N,C2H4I2,281.86,281.84025,2.7,0,6,0,0,0,1,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CALCIUM PHOSPHATE DIBASIC DIHYDRATE,007789-77-7,104805,calcium;hydrogen phosphate;dihydrate,O.O.OP(=O)([O-])[O-].[Ca+2],"InChI=1S/Ca.H3O4P.2H2O/c;1-5(2,3)4;;/h;(H3,1,2,3,4);2*1H2/q+2;;;/p-2",XAAHAAMILDNBPS-UHFFFAOYSA-L,CaH5O6P,172.09,171.9449657,,85.4,46,0,3,6,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAMETHYLAMMONIUM HYDROGEN SULFATE MONOHYDRATE,103812-00-6,157340,hydrogen sulfate;tetramethylazanium,C[N+](C)(C)C.OS(=O)(=O)[O-],"InChI=1S/C4H12N.H2O4S/c2*1-5(2,3)4/h1-4H3;(H2,1,2,3,4)/q+1;/p-1",DWTYPCUOWWOADE-UHFFFAOYSA-M,C4H13NO4S,171.22,171.0565291,,85.8,95,0,1,4,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIMETHYL SUBERIMIDATE DIHYDROCHLORIDE,034490-86-3,118696,dimethyl octanediimidate;dihydrochloride,COC(=N)CCCCCCC(=N)OC.Cl.Cl,"InChI=1S/C10H20N2O2.2ClH/c1-13-9(11)7-5-3-4-6-8-10(12)14-2;;/h11-12H,3-8H2,1-2H3;2*1H",ILKCDNKCNSNFMP-UHFFFAOYSA-N,C10H22Cl2N2O2,273.2,272.1058333,,66.2,161,0,4,4,9,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
C.I. SOLVENT BLACK 5,011099-03-9,19828004,"2-amino-N,N-dipropylacetamide;hydrochloride",CCCN(CCC)C(=O)CN.Cl,"InChI=1S/C8H18N2O.ClH/c1-3-5-10(6-4-2)8(11)7-9;/h3-7,9H2,1-2H3;1H",GBPWTMZRCAESKB-UHFFFAOYSA-N,C8H19ClN2O,194.7,194.1185909,,46.3,109,0,2,2,5,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
DL-HOMOSERINE,001927-25-9,779,2-amino-4-hydroxybutanoic acid,C(CO)C(C(=O)O)N,"InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)",UKAUYVFTDYCKQA-UHFFFAOYSA-N,C4H9NO3,119.12,119.0582431,-4.4,83.6,83,0,3,4,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"D-PANTOTHENIC ACID, SODIUM",000867-81-2,23679004,"sodium 3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate",CC(C)(CO)[C@H](C(=O)NCCC(=O)[O-])O.[Na+],"InChI=1S/C9H17NO5.Na/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;+1/p-1/t7-;/m0./s1",GQTHJBOWLPZUOI-FJXQXJEOSA-M,C9H16NNaO5,241.22,241.0926169,,110,244,0,3,5,6,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GLUTATHIONE OXIDIZED,027025-41-8,65359,(2S)-2-amino-5-[[(2R)-3-[[(2R)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid,C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,"InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/t9-,10-,11-,12-/m0/s1",YPZRWBKMTBYPTK-BJDJZHNGSA-N,C20H32N6O12S2,612.6,612.1519628,-9.1,368,879,0,10,16,21,40,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-N-BUTYL 2,4-PENTANEDIONE",001540-36-9,73763,"3-butylpentane-2,4-dione",CCCCC(C(=O)C)C(=O)C,"InChI=1S/C9H16O2/c1-4-5-6-9(7(2)10)8(3)11/h9H,4-6H2,1-3H3",MBXOOYPCIDHXGH-UHFFFAOYSA-N,C9H16O2,156.22,156.1150297,1.8,34.1,136,0,0,2,5,11,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
ETHYLUREA,000625-52-5,12254,ethylurea,CCNC(=O)N,"InChI=1S/C3H8N2O/c1-2-5-3(4)6/h2H2,1H3,(H3,4,5,6)",RYECOJGRJDOGPP-UHFFFAOYSA-N,C3H8N2O,88.11,88.06366288,-0.7,55.1,52,0,2,1,1,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
18-METHYLNONADECANOIC ACID,006250-72-2,4383090,18-methylnonadecanoic acid,CC(C)CCCCCCCCCCCCCCCCC(=O)O,"InChI=1S/C20H40O2/c1-19(2)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(21)22/h19H,3-18H2,1-2H3,(H,21,22)",UCDAVJCKGYOYNI-UHFFFAOYSA-N,C20H40O2,312.5,312.3028305,8.2,37.3,236,0,1,2,17,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-OCTADECYLTRIMETHOXYSILANE,003069-42-9,76486,trimethoxy(octadecyl)silane,CCCCCCCCCCCCCCCCCC[Si](OC)(OC)OC,"InChI=1S/C21H46O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22-2,23-3)24-4/h5-21H2,1-4H3",SLYCYWCVSGPDFR-UHFFFAOYSA-N,C21H46O3Si,374.7,374.3216219,,27.7,249,0,0,3,20,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM METHANESULPHONATE,002386-57-4,638112,sodium methanesulfonate,CS(=O)(=O)[O-].[Na+],"InChI=1S/CH4O3S.Na/c1-5(2,3)4;/h1H3,(H,2,3,4);/q;+1/p-1",KKVTYAVXTDIPAP-UHFFFAOYSA-M,CH3NaO3S,118.09,117.9700594,,65.6,96,0,0,3,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-BUTANEDITHIOL",001191-08-8,79148,"butane-1,4-dithiol",C(CCS)CS,"InChI=1S/C4H10S2/c5-3-1-2-4-6/h5-6H,1-4H2",SMTOKHQOVJRXLK-UHFFFAOYSA-N,C4H10S2,122.3,122.0223927,1.5,2,17,0,2,2,3,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PRASEODYMIUM NITRIDE,025764-09-4,117626,azanylidynepraseodymium,N#[Pr],InChI=1S/N.Pr,JCWZBEIBQMTAIH-UHFFFAOYSA-N,NPr,154.915,154.91073,,23.8,10,0,0,1,0,2,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BIS(TRIETHOXYSILYL)OCTANE,052217-60-4,22559815,triethoxy(8-triethoxysilyloctyl)silane,CCO[Si](CCCCCCCC[Si](OCC)(OCC)OCC)(OCC)OCC,"InChI=1S/C20H46O6Si2/c1-7-21-27(22-8-2,23-9-3)19-17-15-13-14-16-18-20-28(24-10-4,25-11-5)26-12-6/h7-20H2,1-6H3",OSAJVUUALHWJEM-UHFFFAOYSA-N,C20H46O6Si2,438.7,438.2832923,,55.4,281,0,0,6,21,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAHEXYLAMMONIUM BROMIDE,004328-13-6,78026,tetrahexylazanium bromide,CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.[Br-],"InChI=1S/C24H52N.BrH/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4;/h5-24H2,1-4H3;1H/q+1;/p-1",SYZCZDCAEVUSPM-UHFFFAOYSA-M,C24H52BrN,434.6,433.32831,,0,195,0,0,1,20,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAMETHYLAMMONIUM SULFATE HYDRATE,014190-16-0,14746849,bis(tetramethylazanium);sulfate,C[N+](C)(C)C.C[N+](C)(C)C.[O-]S(=O)(=O)[O-],"InChI=1S/2C4H12N.H2O4S/c3*1-5(2,3)4/h2*1-4H3;(H2,1,2,3,4)/q2*+1;/p-2",KJFVITRRNTVAPC-UHFFFAOYSA-L,C8H24N2O4S,244.36,244.1456784,,88.6,81,0,0,4,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-CARBAMYL-DL-A-AMINO-N-BUTYRIC ACID CRYSTALLINE,055512-98-6,4095663,2-(carbamoylamino)butanoic acid,CCC(C(=O)O)NC(=O)N,"InChI=1S/C5H10N2O3/c1-2-3(4(8)9)7-5(6)10/h3H,2H2,1H3,(H,8,9)(H3,6,7,10)",YZKPZSDKMUSSHE-UHFFFAOYSA-N,C5H10N2O3,146.14,146.0691422,-0.5,92.4,146,0,3,3,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N-[4-(1H,1H,2H,2H-PERFLUORODECYL)BENZYLOXYCARBONYLOXY] SUCCINIMIDE",356056-15-0,16211076,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-di(propan-2-yl)silane",CC(C)[SiH](CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C)C,"InChI=1S/C16H19F17Si/c1-7(2)34(8(3)4)6-5-9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h7-8,34H,5-6H2,1-4H3",BFRDVGYAJGMBJI-UHFFFAOYSA-N,C16H19F17Si,562.38,562.0984559,,0,684,0,0,17,11,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BIS(2-(METHACRYLOYLOXY)ETHYL)PHOSPHATE,032435-46-4,122612,2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl 2-methylprop-2-enoate,CC(=C)C(=O)OCCOP(=O)(O)OCCOC(=O)C(=C)C,"InChI=1S/C12H19O8P/c1-9(2)11(13)17-5-7-19-21(15,16)20-8-6-18-12(14)10(3)4/h1,3,5-8H2,2,4H3,(H,15,16)",NXBXJOWBDCQIHF-UHFFFAOYSA-N,C12H19O8P,322.25,322.0817546,0.7,108,418,0,1,8,12,21,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 2-METHYL-, OCTYL ESTER",002157-01-9,16542,octyl 2-methylprop-2-enoate,CCCCCCCCOC(=O)C(=C)C,"InChI=1S/C12H22O2/c1-4-5-6-7-8-9-10-14-12(13)11(2)3/h2,4-10H2,1,3H3",NZIDBRBFGPQCRY-UHFFFAOYSA-N,C12H22O2,198.3,198.1619799,5,26.3,173,0,0,2,9,14,"195 °F (NTP, 1992)",,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
MOLYBDENUM ZINC OXIDE (MOZNO4),013767-32-3,16213780,zinc dioxido(dioxo)molybdenum,[O-][Mo](=O)(=O)[O-].[Zn+2],InChI=1S/Mo.4O.Zn/q;;;2*-1;+2,XAEWLETZEZXLHR-UHFFFAOYSA-N,MoO4Zn,225.3,225.814204,,80.3,62,0,0,4,0,6,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"LUTETIUM CHLORIDE, HEXAHYDRATE",015230-79-2,71311333,trichlorolutetium;hexahydrate,O.O.O.O.O.O.Cl[Lu](Cl)Cl,InChI=1S/3ClH.Lu.6H2O/h3*1H;;6*1H2/q;;;+3;;;;;;/p-3,SJOQNHYDCUXYED-UHFFFAOYSA-K,Cl3H12LuO6,389.41,387.91072,,6,8,0,6,6,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TERT-BUTYL N-(3-HYDROXYPROPYL.) CARBAMATE,058885-58-8,3838134,tert-butyl N-(3-hydroxypropyl)carbamate,CC(C)(C)OC(=O)NCCCO,"InChI=1S/C8H17NO3/c1-8(2,3)12-7(11)9-5-4-6-10/h10H,4-6H2,1-3H3,(H,9,11)",XDJCYKMWJCYQJM-UHFFFAOYSA-N,C8H17NO3,175.23,175.1208434,0.6,58.6,140,0,2,3,5,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-HYDROXY-2-(1-METHYLETHYL)BUTANEDIOIC ACID,003237-44-3,77,2-hydroxy-2-propan-2-ylbutanedioic acid,CC(C)C(CC(=O)O)(C(=O)O)O,"InChI=1S/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11)",BITYXLXUCSKTJS-UHFFFAOYSA-N,C7H12O5,176.17,176.0684735,-0.2,94.8,198,0,3,5,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
[3-(DIMETHYLAMINO)-2-AZAPROP-2-EN-1-YLIDENE]DIMETHYLAMMONIUM CHLORIDE,020353-93-9,11008255,(dimethylaminomethylideneamino)methylidene-dimethylazanium chloride,CN(C)C=NC=[N+](C)C.[Cl-],"InChI=1S/C6H14N3.ClH/c1-8(2)5-7-6-9(3)4;/h5-6H,1-4H3;1H/q+1;/p-1",DEIBXAPEZDJDRC-UHFFFAOYSA-M,C6H14ClN3,163.65,163.0876252,,18.6,106,0,0,1,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-(METHYLSULPHONYL)ETHANOL,015205-66-0,84834,2-methylsulfonylethanol,CS(=O)(=O)CCO,"InChI=1S/C3H8O3S/c1-7(5,6)3-2-4/h4H,2-3H2,1H3",KFTYFTKODBWKOU-UHFFFAOYSA-N,C3H8O3S,124.16,124.0194153,-1.1,62.8,118,0,1,3,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
2-CYANO-FUNCTIONALIZED SILICA GEL,1173021-70-9,16217124,,CCC#N.O=[Si],"InChI=1S/C3H5N.OSi/c1-2-3-4;1-2/h2H2,1H3;",ZTGCCJHRDUJZKJ-UHFFFAOYSA-N,C3H5NOSi,99.16,99.01404032,,40.9,40,0,0,2,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
11-(TRIETHOXYSILYL)UDECANAL,116047-42-8,11515490,11-triethoxysilylundecanal,CCO[Si](CCCCCCCCCCC=O)(OCC)OCC,"InChI=1S/C17H36O4Si/c1-4-19-22(20-5-2,21-6-3)17-15-13-11-9-7-8-10-12-14-16-18/h16H,4-15,17H2,1-3H3",SJJMMZVIBLQHLI-UHFFFAOYSA-N,C17H36O4Si,332.5,332.2382862,,44.8,232,0,0,4,17,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,5-HEXANEDIOL",000928-40-5,79126,"hexane-1,5-diol",CC(CCCCO)O,"InChI=1S/C6H14O2/c1-6(8)4-2-3-5-7/h6-8H,2-5H2,1H3",UNVGBIALRHLALK-UHFFFAOYSA-N,C6H14O2,118.17,118.0993797,0.4,40.5,45,0,2,2,4,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POTASSIUM 3-SULPHOPROPYL METHACRYLATE,031098-21-2,23682747,potassium 3-(2-methylprop-2-enoyloxy)propane-1-sulfonate,CC(=C)C(=O)OCCCS(=O)(=O)[O-].[K+],"InChI=1S/C7H12O5S.K/c1-6(2)7(8)12-4-3-5-13(9,10)11;/h1,3-5H2,2H3,(H,9,10,11);/q;+1/p-1",PNOXUQIZPBURMT-UHFFFAOYSA-M,C7H11KO5S,246.32,245.9964261,,91.9,290,0,0,5,6,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
L-GLUTAMINE T-BUTYL ESTER HYDROCHLORIDE,039741-62-3,16219456,"tert-butyl 2,5-diamino-5-oxopentanoate;hydrochloride",CC(C)(C)OC(=O)C(CCC(=O)N)N.Cl,"InChI=1S/C9H18N2O3.ClH/c1-9(2,3)14-8(13)6(10)4-5-7(11)12;/h6H,4-5,10H2,1-3H3,(H2,11,12);1H",ZEPNUNKDKQACNC-UHFFFAOYSA-N,C9H19ClN2O3,238.71,238.1084202,,95.4,221,0,3,4,6,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
9-(BROMOMETHYL)NONADECANE,069620-20-8,23148745,9-(bromomethyl)nonadecane,CCCCCCCCCCC(CCCCCCCC)CBr,"InChI=1S/C20H41Br/c1-3-5-7-9-11-12-14-16-18-20(19-21)17-15-13-10-8-6-4-2/h20H,3-19H2,1-2H3",XSQSDBVMLJNZKU-UHFFFAOYSA-N,C20H41Br,361.4,360.23916,10.6,0,179,0,0,0,17,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"N-BOC-1,6-HEXANEDIAMINE HYDROCHLORIDE",065915-94-8,3017638,tert-butyl N-(6-aminohexyl)carbamate;hydrochloride,CC(C)(C)OC(=O)NCCCCCCN.Cl,"InChI=1S/C11H24N2O2.ClH/c1-11(2,3)15-10(14)13-9-7-5-4-6-8-12;/h4-9,12H2,1-3H3,(H,13,14);1H",JSBWQIZQJOQPFN-UHFFFAOYSA-N,C11H25ClN2O2,252.78,252.1604557,,64.4,176,0,3,3,8,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-(2-(2-METHOXYETHOXY)ETHOXY)ETHYL ACRYLATE,048067-72-7,3016467,2-[2-(2-methoxyethoxy)ethoxy]ethyl prop-2-enoate,COCCOCCOCCOC(=O)C=C,"InChI=1S/C10H18O5/c1-3-10(11)15-9-8-14-7-6-13-5-4-12-2/h3H,1,4-9H2,2H3",NMLCFUMBGQIRJX-UHFFFAOYSA-N,C10H18O5,218.25,218.1154237,0.3,54,169,0,0,5,11,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ETHANAMINIUM, 2-HYDROXY-N,N,N-TRIMETHYL-, SALT WITH [R-(R*,R*)]-2,3-DIHYDROXYB",000087-67-2,6900,"2-hydroxyethyl(trimethyl)azanium;(2R,3R)-2,3,4-trihydroxy-4-oxobutanoate",C[N+](C)(C)CCO.[C@@H]([C@H](C(=O)[O-])O)(C(=O)O)O,"InChI=1S/C5H14NO.C4H6O6/c1-6(2,3)4-5-7;5-1(3(7)8)2(6)4(9)10/h7H,4-5H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/q+1;/p-1/t;1-,2-/m.1/s1",QWJSAWXRUVVRLH-LREBCSMRSA-M,C9H19NO7,253.25,253.116152,,138,193,0,4,7,4,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANENITRILE, 3-(1-METHYLETHOXY)-",000110-47-4,66969,3-propan-2-yloxypropanenitrile,CC(C)OCCC#N,"InChI=1S/C6H11NO/c1-6(2)8-5-3-4-7/h6H,3,5H2,1-2H3",BMSYXLRQGIFLFO-UHFFFAOYSA-N,C6H11NO,113.16,113.084064,0.6,33,89,0,0,2,3,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BUTANEDIOIC ACID, 2,3-DIHYDROXY- [R-(R*,R*)]-, DIMETHYL ESTER",000608-68-4,11851,"dimethyl (2R,3R)-2,3-dihydroxybutanedioate",COC(=O)[C@@H]([C@H](C(=O)OC)O)O,"InChI=1S/C6H10O6/c1-11-5(9)3(7)4(8)6(10)12-2/h3-4,7-8H,1-2H3/t3-,4-/m1/s1",PVRATXCXJDHJJN-QWWZWVQMSA-N,C6H10O6,178.14,178.047738,-1,93.1,157,0,2,6,5,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-PROPANEDIOL, 2-ETHYL-2-[(2-PROPENYLOXY)METHYL]-",000682-11-1,12683,"2-ethyl-2-(prop-2-enoxymethyl)propane-1,3-diol",CCC(CO)(CO)COCC=C,"InChI=1S/C9H18O3/c1-3-5-12-8-9(4-2,6-10)7-11/h3,10-11H,1,4-8H2,2H3",LZDXRPVSAKWYDH-UHFFFAOYSA-N,C9H18O3,174.24,174.1255944,0.4,49.7,119,0,2,3,7,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-METHYL2-PROPENOIC ACID 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-HENEICOSAFLUORODODECYL ESTER",002144-54-9,102214,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl 2-methylprop-2-enoate",CC(=C)C(=O)OCCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C16H9F21O2/c1-5(2)6(38)39-4-3-7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)37/h1,3-4H2,2H3",FQHLOOOXLDQLPF-UHFFFAOYSA-N,C16H9F21O2,632.21,632.0267209,8.6,26.3,929,0,0,23,13,39,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BORIC ACID (H3BO3), TRIOCTYL ESTER",002467-12-1,17176,trioctyl borate,B(OCCCCCCCC)(OCCCCCCCC)OCCCCCCCC,"InChI=1S/C24H51BO3/c1-4-7-10-13-16-19-22-26-25(27-23-20-17-14-11-8-5-2)28-24-21-18-15-12-9-6-3/h4-24H2,1-3H3",DTBRTYHFHGNZFX-UHFFFAOYSA-N,C24H51BO3,398.5,398.3931257,,27.7,234,0,0,3,24,28,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-BUTENOIC ACID, 4-(OCTADECYLAMINO)-4-OXO-, (Z)-",003077-27-8,13685295,(Z)-4-(octadecylamino)-4-oxobut-2-enoic acid,CCCCCCCCCCCCCCCCCCNC(=O)/C=C\C(=O)O,"InChI=1S/C22H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21(24)18-19-22(25)26/h18-19H,2-17,20H2,1H3,(H,23,24)(H,25,26)/b19-18-",NWODYZCQADERLP-HNENSFHCSA-N,C22H41NO3,367.6,367.3086442,8.1,66.4,366,0,2,3,19,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"DL-CYSTEINE, METHYL ESTER, HYDROCHLORIDE",005714-80-7,21951,methyl 2-amino-3-sulfanylpropanoate;hydrochloride,COC(=O)C(CS)N.Cl,"InChI=1S/C4H9NO2S.ClH/c1-7-4(6)3(5)2-8;/h3,8H,2,5H2,1H3;1H",WHOHXJZQBJXAKL-UHFFFAOYSA-N,C4H10ClNO2S,171.65,171.0120774,,53.3,86,0,3,4,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHONIC ACID, [NITRILOTRIS(METHYLENE)]TRIS-, TRISODIUM SALT",007611-50-9,160899,trisodium;hydroxy-[[phosphonatomethyl(phosphonomethyl)amino]methyl]phosphinate,C(N(CP(=O)(O)[O-])CP(=O)([O-])[O-])P(=O)(O)O.[Na+].[Na+].[Na+],"InChI=1S/C3H12NO9P3.3Na/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;;;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);;;/q;3*+1/p-3",SOBHUZYZLFQYFK-UHFFFAOYSA-K,C3H9NNa3O9P3,365,364.9183247,,184,348,0,3,10,5,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BISMUTHINE, CHLOROOXO-",007787-59-9,173065887,oxobismuthanylium chloride,O=[Bi+].[Cl-],InChI=1S/Bi.ClH.O/h;1H;/q+1;;/p-1,GLQBXSIPUULYOG-UHFFFAOYSA-M,BiClO,260.43,259.94417,,17.1,2,0,0,2,0,3,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 1,10-DECANEDIYL ESTER",013048-34-5,83079,10-prop-2-enoyloxydecyl prop-2-enoate,C=CC(=O)OCCCCCCCCCCOC(=O)C=C,"InChI=1S/C16H26O4/c1-3-15(17)19-13-11-9-7-5-6-8-10-12-14-20-16(18)4-2/h3-4H,1-2,5-14H2",RHNJVKIVSXGYBD-UHFFFAOYSA-N,C16H26O4,282.37,282.1831093,4.8,52.6,267,0,0,4,15,20,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"PROPANOIC ACID, 3-CHLORO-2,2-DIMETHYL-",013511-38-1,83542,"3-chloro-2,2-dimethylpropanoic acid",CC(C)(CCl)C(=O)O,"InChI=1S/C5H9ClO2/c1-5(2,3-6)4(7)8/h3H2,1-2H3,(H,7,8)",YBJGQSNSAWZZHL-UHFFFAOYSA-N,C5H9ClO2,136.58,136.0291072,1.2,37.3,98,0,1,2,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9-OCTADECENAMIDE, N-[2-(2-HYDROXYETHOXY)ETHYL]-, (Z)-",020429-33-8,6436522,(Z)-N-[2-(2-hydroxyethoxy)ethyl]octadec-9-enamide,CCCCCCCC/C=C\CCCCCCCC(=O)NCCOCCO,"InChI=1S/C22H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)23-18-20-26-21-19-24/h9-10,24H,2-8,11-21H2,1H3,(H,23,25)/b10-9-",ULHGTPIJYDGNHZ-KTKRTIGZSA-N,C22H43NO3,369.6,369.3242942,6.2,58.6,319,0,2,3,20,26,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"CARBAMODITHIOIC ACID, METHYL-, COMPD. WITH METHANAMINE (1:1)",021160-95-2,3037097,methanamine;methylcarbamodithioic acid,CN.CNC(=S)S,"InChI=1S/C2H5NS2.CH5N/c1-3-2(4)5;1-2/h1H3,(H2,3,4,5);2H2,1H3",CLNJKWUFFSDNLL-UHFFFAOYSA-N,C3H10N2S2,138.3,138.0285407,,71.1,44,0,3,3,0,7,,,1,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"OCTANAMIDE, N-(2-HYDROXYPROPYL)-",023054-60-6,5463938,N-(2-hydroxypropyl)octanamide,CCCCCCCC(=O)NCC(C)O,"InChI=1S/C11H23NO2/c1-3-4-5-6-7-8-11(14)12-9-10(2)13/h10,13H,3-9H2,1-2H3,(H,12,14)",HYALHALGUKZZPY-UHFFFAOYSA-N,C11H23NO2,201.31,201.172879,2.3,49.3,148,0,2,2,8,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9,12-TETRADECADIEN-1-OL, ACETATE, (Z,E)-",031654-77-0,6436633,"[(9E,12Z)-tetradeca-9,12-dienyl] acetate",C/C=C\C/C=C/CCCCCCCCOC(=O)C,"InChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3-4,6-7H,5,8-15H2,1-2H3/b4-3-,7-6+",ZZGJZGSVLNSDPG-WWVFNRLHSA-N,C16H28O2,252.39,252.2089301,5.3,26.3,241,0,0,2,12,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"METHANE, (METHYLSULFINYL)(METHYLTHIO)-",033577-16-1,99129,methylsulfanyl(methylsulfinyl)methane,CSCS(=O)C,"InChI=1S/C3H8OS2/c1-5-3-6(2)4/h3H2,1-2H3",OTKFCIVOVKCFHR-UHFFFAOYSA-N,C3H8OS2,124.23,124.0016572,0.1,61.6,52,0,0,3,2,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-SULFO-.OMEGA.-(TRIDECYLOXY)-, SODIUM SALT",054116-08-4,23705734,sodium 2-tridecoxyethyl sulfate,CCCCCCCCCCCCCOCCOS(=O)(=O)[O-].[Na+],"InChI=1S/C15H32O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-14-15-20-21(16,17)18;/h2-15H2,1H3,(H,16,17,18);/q;+1/p-1",ZBWSHGCWHFPLBI-UHFFFAOYSA-M,C15H31NaO5S,346.5,346.1789895,,84,304,0,0,5,16,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-HEXENE, 6,6-DIMETHOXY-2,5,5-TRIMETHYL-",067674-46-8,106766,"6,6-dimethoxy-2,5,5-trimethylhex-2-ene",CC(=CCC(C)(C)C(OC)OC)C,"InChI=1S/C11H22O2/c1-9(2)7-8-11(3,4)10(12-5)13-6/h7,10H,8H2,1-6H3",RDHNTAXPFZIMDN-UHFFFAOYSA-N,C11H22O2,186.29,186.1619799,3.2,18.5,163,0,0,2,5,13,,214.00 to 215.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-BUTENOIC ACID, 2-METHYL-, 3-HEXENYL ESTER, (E,Z)-",067883-79-8,15461361,[(Z)-hex-3-enyl] (E)-2-methylbut-2-enoate,CC/C=C\CCOC(=O)/C(=C/C)/C,"InChI=1S/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5-7H,4,8-9H2,1-3H3/b7-6-,10-5+",JNWQKXUWZWKUAY-JQEGGOPCSA-N,C11H18O2,182.26,182.1306798,3.1,26.3,202,0,0,2,6,13,,140.00 °C. @ 30.00 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,2,3-PROPANETRICARBOXYLIC ACID, 2-HYDROXY-, SODIUM TITANIUM(4+) SALT",068959-15-9,155229,"trisodium;pentakis(2-hydroxypropane-1,2,3-tricarboxylate);tris(titanium(4+))",C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Na+].[Na+].[Na+].[Ti+4].[Ti+4].[Ti+4],"InChI=1S/5C6H8O7.3Na.3Ti/c5*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;/h5*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;;;/q;;;;;3*+1;3*+4/p-15",NUZYGONUYYINRR-UHFFFAOYSA-A,C30H25Na3O35Ti3,1158.1,1157.830767,,703,211,0,5,35,10,71,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
1-PROPANOL-2-BUTOXY,015821-83-7,177691,2-butoxypropan-1-ol,CCCCOC(C)CO,"InChI=1S/C7H16O2/c1-3-4-5-9-7(2)6-8/h7-8H,3-6H2,1-2H3",WGKZYJXRTIPTCV-UHFFFAOYSA-N,C7H16O2,132.2,132.1150297,1.1,29.5,54,0,1,2,5,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
CIS-VACCENIC ACID METHYL ESTER (METHYL VACCENATE),001937-63-9,5364505,methyl (Z)-octadec-11-enoate,CCCCCC/C=C\CCCCCCCCCC(=O)OC,"InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h8-9H,3-7,10-18H2,1-2H3/b9-8-",PVVODBCDJBGMJL-HJWRWDBZSA-N,C19H36O2,296.5,296.2715304,7.6,26.3,246,0,0,2,16,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TUNGSTEN V ETHOXIDE,026143-11-3,57357833,ethanolate;tungsten,CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].[W],"InChI=1S/5C2H5O.W/c5*1-2-3;/h5*2H2,1H3;/q5*-1;",RBZKAYBXYBXUCL-UHFFFAOYSA-N,C10H25O5W-5,409.14,409.121132,,115,2,-5,0,5,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"18-METHYLNONADECYL 2,2 -DIMETHYLPROPANOATE",125496-22-2,178374,"18-methylnonadecyl 2,2-dimethylpropanoate",CC(C)CCCCCCCCCCCCCCCCCOC(=O)C(C)(C)C,"InChI=1S/C25H50O2/c1-23(2)21-19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-22-27-24(26)25(3,4)5/h23H,6-22H2,1-5H3",HLPUIYHSLAVSHY-UHFFFAOYSA-N,C25H50O2,382.7,382.3810808,11.1,26.3,328,0,0,2,20,27,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
POTASSIUM TRIFLUOROHYDROXYBORATE(1-),013876-98-7,23697317,potassium trifluoro(hydroxy)boranuide,[B-](O)(F)(F)F.[K+],"InChI=1S/BF3HO.K/c2-1(3,4)5;/h5H;/q-1;+1",YKFUDQQSSVOYFF-UHFFFAOYSA-N,BF3HKO,123.91,123.9709608,,20.2,32,0,1,5,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DL-MALIC ACID,000617-48-1,525,2-hydroxybutanedioic acid,C(C(C(=O)O)O)C(=O)O,"InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)",BJEPYKJPYRNKOW-UHFFFAOYSA-N,C4H6O5,134.09,134.0215233,-1.3,94.8,129,0,3,5,3,9,,Decomposes at >225 °C and <235 °C (BP not determinable) /OECD Guideline 103 (Boiling point/boiling range)/,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TERT-BUTYLAMINOETHYL METHACRYLATE,003775-90-4,19601,2-(tert-butylamino)ethyl 2-methylprop-2-enoate,CC(=C)C(=O)OCCNC(C)(C)C,"InChI=1S/C10H19NO2/c1-8(2)9(12)13-7-6-11-10(3,4)5/h11H,1,6-7H2,2-5H3",BEWCNXNIQCLWHP-UHFFFAOYSA-N,C10H19NO2,185.26,185.1415788,1.7,38.3,192,0,1,3,6,13,96.1 °C (Cleveland open cup),100-105 °C @ 12 MM HG,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
STANNOUS SULFATE,007488-55-3,62643,tin(2+) sulfate,[O-]S(=O)(=O)[O-].[Sn+2],"InChI=1S/H2O4S.Sn/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+2/p-2",OBBXFSIWZVFYJR-UHFFFAOYSA-L,O4SSn,214.78,215.853932,,88.6,62,0,0,4,0,6,,,1,0,1,0,0,0,1,1,0,0,1,0,0,0,0,0,1,1,1,1
PENTAERYTHRITOL TETRAACRYLATE,004986-89-4,62556,"[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate",C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,"InChI=1S/C17H20O8/c1-5-13(18)22-9-17(10-23-14(19)6-2,11-24-15(20)7-3)12-25-16(21)8-4/h5-8H,1-4,9-12H2",KNSXNCFKSZZHEA-UHFFFAOYSA-N,C17H20O8,352.3,352.1158176,2.3,105,459,0,0,8,16,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"POTASSIUM PHOSPHATE, TRIBASIC",007778-53-2,62657,tripotassium;phosphate,[O-]P(=O)([O-])[O-].[K+].[K+].[K+],"InChI=1S/3K.H3O4P/c;;;1-5(2,3)4/h;;;(H3,1,2,3,4)/q3*+1;/p-3",LWIHDJKSTIGBAC-UHFFFAOYSA-K,K3O4P,212.266,211.8445399,,86.3,36,0,0,4,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NICKEL TITANIUM OXIDE,012035-39-1,91886670,dioxido(oxo)titanium;nickel(2+),[O-][Ti](=O)[O-].[Ni+2],InChI=1S/Ni.3O.Ti/q+2;;2*-1;,DGXKDBWJDQHNCI-UHFFFAOYSA-N,NiO3Ti,154.559,153.868026,,63.2,18,0,0,3,0,5,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,1,0
"PHOSPHORIC ACID, CALCIUM NICKEL SALT",017169-61-8,22174092,calcium;nickel(2+);phosphate,[O-]P(=O)([O-])[O-].[Ca+2].[Ni+2],"InChI=1S/Ca.Ni.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q2*+2;/p-3",FIQNIRPYLPNUDK-UHFFFAOYSA-K,CaNiO4P+,193.74,192.851353,,86.3,36,1,0,4,0,7,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1,1,0
ANTIMONY NICKEL TITANIUM OXIDE,054576-53-3,171357,antimony(3+);nickel(2+);oxygen(2-);titanium(4+),[O-2].[Ti+4].[Ni+2].[Sb+3],InChI=1S/Ni.O.Sb.Ti/q+2;-2;+3;+4,LANLMTRJCBLOQH-UHFFFAOYSA-N,NiOSbTi+7,244.32,242.78201,,1,0,7,0,1,0,4,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,1,0
COBALT SULFIDE,001317-42-6,14832,sulfanylidenecobalt,S=[Co],InChI=1S/Co.S,VRRFSFYSLSPWQY-UHFFFAOYSA-N,CoS,91,90.905265,,32.1,2,0,0,1,0,2,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"OCTANE, 2-CHLORO-",000628-61-5,12347,2-chlorooctane,CCCCCCC(C)Cl,"InChI=1S/C8H17Cl/c1-3-4-5-6-7-8(2)9/h8H,3-7H2,1-2H3",HKDCIIMOALDWHF-UHFFFAOYSA-N,C8H17Cl,148.67,148.1018782,4.2,0,52,0,0,0,5,9,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
COBALT(II) CARBONATE,000513-79-1,10565,cobalt(2+) carbonate,C(=O)([O-])[O-].[Co+2],"InChI=1S/CH2O3.Co/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",ZOTKGJBKKKVBJZ-UHFFFAOYSA-L,CCoO3,118.942,118.917937,,63.2,18,0,0,3,0,5,,,1,0,0,0,0,1,1,0,0,0,1,0,0,1,1,0,0,1,0,0
"1,2-DECANEDIOL",001119-86-4,79141,"decane-1,2-diol",CCCCCCCCC(CO)O,"InChI=1S/C10H22O2/c1-2-3-4-5-6-7-8-10(12)9-11/h10-12H,2-9H2,1H3",YSRSBDQINUMTIF-UHFFFAOYSA-N,C10H22O2,174.28,174.1619799,2.9,40.5,83,0,2,2,8,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
N-ACETYL-DL-METHIONINE,001115-47-5,6180,2-acetamido-4-methylsulfanylbutanoic acid,CC(=O)NC(CCSC)C(=O)O,"InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)",XUYPXLNMDZIRQH-UHFFFAOYSA-N,C7H13NO3S,191.25,191.0616145,0.1,91.7,172,0,2,4,5,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-ETHANEDIOL, MONOACETATE",000542-59-6,10960,2-hydroxyethyl acetate,CC(=O)OCCO,"InChI=1S/C4H8O3/c1-4(6)7-3-2-5/h5H,2-3H2,1H3",HXDLWJWIAHWIKI-UHFFFAOYSA-N,C4H8O3,104.1,104.0473441,-0.6,46.5,60,0,1,3,3,7,"215 °F (NTP, 1992)","358 to 360 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"PHOSPHONIC ACID, [[(2-HYDROXYETHYL)IMINO]BIS(METHYLENE)]BIS-",005995-42-6,80101,[2-hydroxyethyl(phosphonomethyl)amino]methylphosphonic acid,C(CO)N(CP(=O)(O)O)CP(=O)(O)O,"InChI=1S/C4H13NO7P2/c6-2-1-5(3-13(7,8)9)4-14(10,11)12/h6H,1-4H2,(H2,7,8,9)(H2,10,11,12)",YAWYUSRBDMEKHZ-UHFFFAOYSA-N,C4H13NO7P2,249.1,249.0167258,-6.2,139,232,0,5,8,6,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"SODIUM CARBONATE, MONOHYDRATE",005968-11-6,2735133,disodium;carbonate;hydrate,C(=O)([O-])[O-].O.[Na+].[Na+],"InChI=1S/CH2O3.2Na.H2O/c2-1(3)4;;;/h(H2,2,3,4);;;1H2/q;2*+1;/p-2",MQRJBSHKWOFOGF-UHFFFAOYSA-L,CH2Na2O4,124,123.9748471,,64.2,18,0,1,4,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
N-ACETYL-L-THREONINE,017093-74-2,152204,"(2S,3R)-2-acetamido-3-hydroxybutanoic acid",C[C@H]([C@@H](C(=O)O)NC(=O)C)O,"InChI=1S/C6H11NO4/c1-3(8)5(6(10)11)7-4(2)9/h3,5,8H,1-2H3,(H,7,9)(H,10,11)/t3-,5+/m1/s1",PEDXUVCGOLSNLQ-WUJLRWPWSA-N,C6H11NO4,161.16,161.0688078,-0.9,86.6,168,0,3,4,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,3-PROPANETRICARBOXYLIC ACID, 2-HYDROXY-, ZINC SALT (2:3)",000546-46-3,11023,"trizinc bis(2-hydroxypropane-1,2,3-tricarboxylate)",C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Zn+2].[Zn+2].[Zn+2],"InChI=1S/2C6H8O7.3Zn/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6",WGIWBXUNRXCYRA-UHFFFAOYSA-H,C12H10O14Zn3,574.3,571.79137,,281,211,0,2,14,4,29,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"FORMAMIDE, N-(2-HYDROXYETHYL)-",000693-06-1,69657,N-(2-hydroxyethyl)formamide,C(CO)NC=O,"InChI=1S/C3H7NO2/c5-2-1-4-3-6/h3,5H,1-2H2,(H,4,6)",BAMUPQJDKBGDPU-UHFFFAOYSA-N,C3H7NO2,89.09,89.04767847,-1.1,49.3,37,0,2,2,2,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ACETAMIDE, N-ACETYL-N-METHYL-",001113-68-4,14214,N-acetyl-N-methylacetamide,CC(=O)N(C)C(=O)C,InChI=1S/C5H9NO2/c1-4(7)6(3)5(2)8/h1-3H3,ZNQFZPCFVNOXJQ-UHFFFAOYSA-N,C5H9NO2,115.13,115.0633285,-0.5,37.4,106,0,0,2,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"GLYCINE, N-DODECYL-N-METHYL-, SODIUM SALT",007631-98-3,23691688,sodium 2-[dodecyl(methyl)amino]acetate,CCCCCCCCCCCCN(C)CC(=O)[O-].[Na+],"InChI=1S/C15H31NO2.Na/c1-3-4-5-6-7-8-9-10-11-12-13-16(2)14-15(17)18;/h3-14H2,1-2H3,(H,17,18);/q;+1/p-1",ADWNFGORSPBALY-UHFFFAOYSA-M,C15H30NNaO2,279.39,279.2174235,,43.4,201,0,0,3,13,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
7-OXO-8-NONENOIC ACID,,3624959,7-oxonon-8-enoic acid,C=CC(=O)CCCCCC(=O)O,"InChI=1S/C9H14O3/c1-2-8(10)6-4-3-5-7-9(11)12/h2H,1,3-7H2,(H,11,12)",ULPCQFRHLZORMS-UHFFFAOYSA-N,C9H14O3,170.21,170.0942943,1.2,54.4,173,0,1,3,7,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
MOLYBDENUM(VI) OXIDE,001313-27-5,14802,trioxomolybdenum,O=[Mo](=O)=O,InChI=1S/Mo.3O,JKQOBWVOAYFWKG-UHFFFAOYSA-N,MoO3,143.95,145.890147,,51.2,61,0,0,3,0,4,,"2111 °F at 760 mmHg (Sublimes) (NTP, 1992)",0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,1
METHYL CHLOROFORM,000071-55-6,6278,"1,1,1-trichloroethane",CC(Cl)(Cl)Cl,"InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3",UOCLXMDMGBRAIB-UHFFFAOYSA-N,C2H3Cl3,133.4,131.930033,2.4,0,26,0,0,0,0,5,"greater than 200 °F (NTP, 1992)","165.4 °F at 760 mmHg (NTP, 1992)",0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,1,1,2,2,3,3,4,4-NONAFLUORO-4-METHOXYBUTANE",163702-07-6,164514,"1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxybutane",COC(C(C(C(F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C5H3F9O/c1-15-5(13,14)3(8,9)2(6,7)4(10,11)12/h1H3",OKIYQFLILPKULA-UHFFFAOYSA-N,C5H3F9O,250.06,250.0040182,3.3,9.2,229,0,0,10,3,15,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHOSPHATASE, ACID",009001-77-8,12951370,1-prop-2-ynoxypropan-2-ol,CC(COCC#C)O,"InChI=1S/C6H10O2/c1-3-4-8-5-6(2)7/h1,6-7H,4-5H2,2H3",GZCWLCBFPRFLKL-UHFFFAOYSA-N,C6H10O2,114.14,114.0680796,-0.1,29.5,89,0,1,2,3,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
AZODICARBONAMIDE,000123-77-3,5462814,(E)-carbamoyliminourea,C(=O)(N)/N=N/C(=O)N,"InChI=1S/C2H4N4O2/c3-1(7)5-6-2(4)8/h(H2,3,7)(H2,4,8)/b6-5+",XOZUGNYVDXMRKW-AATRIKPKSA-N,C2H4N4O2,116.08,116.0334254,-1,111,123,0,2,2,0,8,"205 °F (NTP, 1992)","Decomposes (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
"2-BUTANOL, 3-[(2-MERCAPTO-1-METHYLPROPYL)THIO]-, MONOSODIUM SALT",067801-35-8,23675904,sodium 3-(3-hydroxybutan-2-ylsulfanyl)butane-2-thiolate,CC(C(C)SC(C)C(C)[S-])O.[Na+],"InChI=1S/C8H18OS2.Na/c1-5(9)7(3)11-8(4)6(2)10;/h5-10H,1-4H3;/q;+1/p-1",NOPPVMNVQAVKKJ-UHFFFAOYSA-M,C8H17NaOS2,216.3,216.0618518,,46.5,113,0,1,3,4,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
FORMAMIDE,000075-12-7,713,formamide,C(=O)N,"InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)",ZHNUHDYFZUAESO-UHFFFAOYSA-N,CH3NO,45.041,45.02146372,-0.8,43.1,12,0,1,1,0,3,"310 °F (NTP, 1992)","410 °F at 760 mmHg (decomposes) (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"DIBUTYLBIS(PENTANE-2,4-DIONATO-O,O')TIN",022673-19-4,5484047,bis((Z)-4-oxopent-2-en-2-olate);bis(pentane);tin(4+),CCCC[CH2-].CCCC[CH2-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Sn+4],"InChI=1S/2C5H8O2.2C5H11.Sn/c2*1-4(6)3-5(2)7;2*1-3-5-4-2;/h2*3,6H,1-2H3;2*1,3-5H2,2H3;/q;;2*-1;+4/p-2/b2*4-3-;;;",UQFXPYKWVFOQTH-VGKOASNMSA-L,C20H36O4Sn,459.2,460.163562,,80.3,99,0,0,6,6,25,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
Tris(2-(2-(2-methoxyethoxy)ethoxy)ethyl) orthoborate,030989-05-0,14402222,tris[2-[2-(2-methoxyethoxy)ethoxy]ethyl] borate,B(OCCOCCOCCOC)(OCCOCCOCCOC)OCCOCCOCCOC,"InChI=1S/C21H45BO12/c1-23-4-7-26-10-13-29-16-19-32-22(33-20-17-30-14-11-27-8-5-24-2)34-21-18-31-15-12-28-9-6-25-3/h4-21H2,1-3H3",BYRJZJXBVKUYFH-UHFFFAOYSA-N,C21H45BO12,500.4,500.300407,,111,318,0,0,12,30,34,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"1,1,2,2-TETRAHYDROPERFLUOROOCTANOL",000647-42-7,69537,"3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol",C(CO)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C8H5F13O/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h22H,1-2H2",GRJRKPMIRMSBNK-UHFFFAOYSA-N,C8H5F13O,364.1,364.0132809,4.4,20.2,395,0,1,14,6,22,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
1-BROMOOCTANE,000111-83-1,8140,1-bromooctane,CCCCCCCCBr,"InChI=1S/C8H17Br/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3",VMKOFRJSULQZRM-UHFFFAOYSA-N,C8H17Br,193.12,192.05136,4.9,0,43,0,0,0,6,9,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
BIS(N-PANTOTHENYLAMIDOETHYL) DISULFIDE,016816-67-4,452306,"(2R)-N-[3-[2-[2-[3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyldisulfanyl]ethylamino]-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide",CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O)O,"InChI=1S/C22H42N4O8S2/c1-21(2,13-27)17(31)19(33)25-7-5-15(29)23-9-11-35-36-12-10-24-16(30)6-8-26-20(34)18(32)22(3,4)14-28/h17-18,27-28,31-32H,5-14H2,1-4H3,(H,23,29)(H,24,30)(H,25,33)(H,26,34)/t17-,18-/m0/s1",DJWYOLJPSHDSAL-ROUUACIJSA-N,C22H42N4O8S2,554.7,554.2444067,-2.2,248,652,0,8,10,19,36,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"POLY(OXY-1,4-BUTANEDIYL), .ALPHA.-(4-AMINOBUTYL)-.OMEGA.-(4-AMINOBUTOXY)-",027417-83-0,168697,4-[4-(4-aminobutoxy)butoxy]butan-1-amine,C(CCOCCCCOCCCCN)CN,InChI=1S/C12H28N2O2/c13-7-1-3-9-15-11-5-6-12-16-10-4-2-8-14/h1-14H2,ZJGRZPCOLBDFIZ-UHFFFAOYSA-N,C12H28N2O2,232.36,232.2150781,0.2,70.5,110,0,2,4,13,16,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,7-OCTADIEN-4-OL, 2-METHYL-6-METHYLENE-, (S)-",035628-00-3,92301,"(4S)-2-methyl-6-methylideneocta-2,7-dien-4-ol",CC(=C[C@H](CC(=C)C=C)O)C,"InChI=1S/C10H16O/c1-5-9(4)7-10(11)6-8(2)3/h5-6,10-11H,1,4,7H2,2-3H3/t10-/m1/s1",NHMKYUHMPXBMFI-SNVBAGLBSA-N,C10H16O,152.23,152.1201151,3.2,20.2,173,0,1,1,4,11,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"POTASSIUM FERROCYANIDE, ANHYDROUS",013943-58-3,9605257,tetrapotassium;iron(2+);hexacyanide,[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[K+].[K+].[K+].[K+].[Fe+2],InChI=1S/6CN.Fe.4K/c6*1-2;;;;;/q6*-1;+2;4*+1,XOGGUFAVLNCTRS-UHFFFAOYSA-N,C6FeK4N6,368.34,367.808206,,143,127,0,0,12,0,17,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-PROPENOIC ACID, MAGNESIUM SALT",005698-98-6,165336,magnesium bis(prop-2-enoate),C=CC(=O)[O-].C=CC(=O)[O-].[Mg+2],"InChI=1S/2C3H4O2.Mg/c2*1-2-3(4)5;/h2*2H,1H2,(H,4,5);/q;;+2/p-2",DWLAVVBOGOXHNH-UHFFFAOYSA-L,C6H6MgO4,166.41,166.0116504,,80.3,50,0,0,4,0,11,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,1,1,2,2,4,5,5,5-NONAFLUORO-4-(TRIFLUOROMETHYL )-3-PENTANONE",000756-13-8,2782408,"1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentan-3-one",C(=O)(C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(F)F,"InChI=1S/C6F12O/c7-2(4(10,11)12,5(13,14)15)1(19)3(8,9)6(16,17)18",RMLFHPWPTXWZNJ-UHFFFAOYSA-N,C6F12O,316.04,315.9757526,4.2,17.1,342,0,0,13,2,19,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
HEXYL ETHER,000112-58-3,8198,1-hexoxyhexane,CCCCCCOCCCCCC,"InChI=1S/C12H26O/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-12H2,1-2H3",BPIUIOXAFBGMNB-UHFFFAOYSA-N,C12H26O,186.33,186.1983654,4.7,9.2,71,0,0,1,10,13,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
ZINC OXIDE SULFATE (ZN4O3(SO4)),059766-35-7,86278602,tetrazinc;tris(oxygen(2-));sulfate,[O-2].[O-2].[O-2].[O-]S(=O)(=O)[O-].[Zn+2].[Zn+2].[Zn+2].[Zn+2],"InChI=1S/H2O4S.3O.4Zn/c1-5(2,3)4;;;;;;;/h(H2,1,2,3,4);;;;;;;/q;3*-2;4*+2/p-2",VEVDFHYTLQZUJT-UHFFFAOYSA-L,O7SZn4,405.6,405.64563,,91.6,62,0,0,7,0,12,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethylene, 1-chloro-1,2-difluoro-",359-04-6,5369146,"(Z)-1-chloro-1,2-difluoroethene",C(=C(/F)\Cl)\F,InChI=1S/C2HClF2/c3-2(5)1-4/h1H/b2-1+,CJENPNUXCMYXPT-OWOJBTEDSA-N,C2HClF2,98.48,97.9734841,1.5,0,49,0,0,2,0,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Octanesulfonyl chloride, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-",423-60-9,324956,"1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonyl chloride",C(C(C(C(C(F)(F)S(=O)(=O)Cl)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C8ClF17O2S/c9-29(27,28)8(25,26)6(20,21)4(16,17)2(12,13)1(10,11)3(14,15)5(18,19)7(22,23)24",FJHZKRYJOILIGD-UHFFFAOYSA-N,C8ClF17O2S,518.58,517.9036069,6.3,42.5,730,0,0,19,7,29,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Nitrous acid, propyl ester",543-67-9,10979,propyl nitrite,CCCON=O,"InChI=1S/C3H7NO2/c1-2-3-6-4-5/h2-3H2,1H3",KAOQVXHBVNKNHA-UHFFFAOYSA-N,C3H7NO2,89.09,89.04767847,0.9,38.7,37,0,0,3,2,6,,,0,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Isovaleric acid, propyl ester",557-00-6,11176,propyl 3-methylbutanoate,CCCOC(=O)CC(C)C,"InChI=1S/C8H16O2/c1-4-5-10-8(9)6-7(2)3/h7H,4-6H2,1-3H3",LSJMDWFAADPNAX-UHFFFAOYSA-N,C8H16O2,144.21,144.1150297,2.3,26.3,97,0,0,2,5,10,,156.00 to 157.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Butylamine, 2-ethyl-",617-79-8,12049,2-ethylbutan-1-amine,CCC(CC)CN,"InChI=1S/C6H15N/c1-3-6(4-2)5-7/h6H,3-5,7H2,1-2H3",MGWAGIQQTULHGU-UHFFFAOYSA-N,C6H15N,101.19,101.1204495,1.3,26,31,0,1,1,3,7,,125 °C,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"Ether, ethyl propenyl",928-55-2,13570,1-ethoxyprop-1-ene,CCOC=CC,"InChI=1S/C5H10O/c1-3-5-6-4-2/h3,5H,4H2,1-2H3",XDHOEHJVXXTEDV-UHFFFAOYSA-N,C5H10O,86.13,86.07316494,1.4,9.2,39,0,0,1,2,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Stannane, dibromodibutyl-",996-08-7,93569,dibromo(dibutyl)stannane,CCCC[Sn](CCCC)(Br)Br,"InChI=1S/2C4H9.2BrH.Sn/c2*1-3-4-2;;;/h2*1,3-4H2,2H3;2*1H;/q;;;;+2/p-2",QSHZUFRQHSINTB-UHFFFAOYSA-L,C8H18Br2Sn,392.75,393.87768,,0,84,0,0,0,6,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Ammonium, decamethylenebis(trimethyl-, diiodide",1420-40-2,74014,trimethyl-[10-(trimethylazaniumyl)decyl]azanium diiodide,C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[I-].[I-],"InChI=1S/C16H38N2.2HI/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6;;/h7-16H2,1-6H3;2*1H/q+2;;/p-2",ARMLJSXXXFXSLQ-UHFFFAOYSA-L,C16H38I2N2,512.3,512.11244,,0,164,0,0,2,11,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-Propanediamine, N,N,N',N'-tetramethyl-",1822-45-3,98164,"1-N,1-N,2-N,2-N-tetramethylpropane-1,2-diamine",CC(CN(C)C)N(C)C,"InChI=1S/C7H18N2/c1-7(9(4)5)6-8(2)3/h7H,6H2,1-5H3",JUXXCHAGQCBNTI-UHFFFAOYSA-N,C7H18N2,130.23,130.1469986,0.7,6.5,69,0,0,2,3,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"Ethanol, 2-dimethylamino-, hydrochloride",2498-25-1,200674,2-(dimethylamino)ethanol;hydrochloride,CN(C)CCO.Cl,"InChI=1S/C4H11NO.ClH/c1-5(2)3-4-6;/h6H,3-4H2,1-2H3;1H",YJHSJERLYWNLQL-UHFFFAOYSA-N,C4H12ClNO,125.6,125.0607417,,23.5,28,0,2,2,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphorothioic acid, S-(2-(ethylsulfinyl)-1-methylethyl) O,O-dimethyl ester",2674-91-1,91523,2-dimethoxyphosphorylsulfanyl-1-ethylsulfinylpropane,CCS(=O)CC(C)SP(=O)(OC)OC,"InChI=1S/C7H17O4PS2/c1-5-14(9)6-7(2)13-12(8,10-3)11-4/h7H,5-6H2,1-4H3",JAYZFNIOOYPIAH-UHFFFAOYSA-N,C7H17O4PS2,260.3,260.0305884,-0.3,97.1,226,0,0,6,7,14,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"Butanedioic acid, (dimethoxyphosphinyl)-, dimethyl ester",2788-26-3,102330,dimethyl 2-dimethoxyphosphorylbutanedioate,COC(=O)CC(C(=O)OC)P(=O)(OC)OC,"InChI=1S/C8H15O7P/c1-12-7(9)5-6(8(10)13-2)16(11,14-3)15-4/h6H,5H2,1-4H3",LGAMILCIMHCDPT-UHFFFAOYSA-N,C8H15O7P,254.17,254.0555398,-0.7,88.1,293,0,0,7,8,16,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Carbamic acid, diethylthio-, S-ethyl ester",2941-55-1,18055,"S-ethyl N,N-diethylcarbamothioate",CCN(CC)C(=O)SCC,"InChI=1S/C7H15NOS/c1-4-8(5-2)7(9)10-6-3/h4-6H2,1-3H3",WARIWGPBHKPYON-UHFFFAOYSA-N,C7H15NOS,161.27,161.0874353,2.2,45.6,102,0,0,2,4,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Valerohydroxamic acid,4312-92-9,134571,N-hydroxypentanamide,CCCCC(=O)NO,"InChI=1S/C5H11NO2/c1-2-3-4-5(7)6-8/h8H,2-4H2,1H3,(H,6,7)",ZMJLZDJLNRHSSQ-UHFFFAOYSA-N,C5H11NO2,117.15,117.0789786,0.4,49.3,72,0,2,2,3,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Butenenitrile, 2-methyl-",4403-61-6,29935,2-methylbut-2-enenitrile,CC=C(C)C#N,"InChI=1S/C5H7N/c1-3-5(2)4-6/h3H,1-2H3",IHXNSHZBFXGOJM-UHFFFAOYSA-N,C5H7N,81.12,81.05784923,1.2,23.8,102,0,0,1,0,6,"less than 67 °F (NTP, 1992)",,0,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Formic acid, cadmium salt",4464-23-7,54601500,cadmium;formic acid,C(=O)O.[Cd],"InChI=1S/CH2O2.Cd/c2-1-3;/h1H,(H,2,3);",XIQOAFTWVKWYOG-UHFFFAOYSA-N,CH2CdO2,158.44,159.908844,,37.3,10,0,1,2,0,4,,,1,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"Diethylamine, 2-chloro-N-methyl-, hydrochloride",4535-88-0,20649,2-chloroethyl-ethyl-methylazanium chloride,CC[NH+](C)CCCl.[Cl-],"InChI=1S/C5H12ClN.ClH/c1-3-7(2)5-4-6;/h3-5H2,1-2H3;1H",JNZADWSFSFZFLJ-UHFFFAOYSA-N,C5H13Cl2N,158.07,157.0425048,,4.4,39,0,1,1,3,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Boric acid, trioctadecyl ester",5337-41-7,21425,trioctadecyl borate,B(OCCCCCCCCCCCCCCCCCC)(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C54H111BO3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-56-55(57-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)58-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-54H2,1-3H3",GZKLCETYSGSMRA-UHFFFAOYSA-N,C54H111BO3,819.3,818.8626276,,27.7,599,0,0,3,54,58,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, methoxy-, methyl ester",6290-49-9,80507,methyl 2-methoxyacetate,COCC(=O)OC,"InChI=1S/C4H8O3/c1-6-3-4(5)7-2/h3H2,1-2H3",QRMHDGWGLNLHMN-UHFFFAOYSA-N,C4H8O3,104.1,104.0473441,0,35.5,60,0,0,3,3,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"Phosphonic acid, (2-chloro-1-methylethyl)-, bis(2-chloro-1-methylethyl) ester",7316-55-4,110959,1-chloro-2-[1-chloropropan-2-yl(1-chloropropan-2-yloxy)phosphoryl]oxypropane,CC(CCl)OP(=O)(C(C)CCl)OC(C)CCl,"InChI=1S/C9H18Cl3O3P/c1-7(4-10)14-16(13,9(3)6-12)15-8(2)5-11/h7-9H,4-6H2,1-3H3",AOTIRVBHFRETEJ-UHFFFAOYSA-N,C9H18Cl3O3P,311.6,310.005915,2.5,35.5,224,0,0,3,8,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propylamine, N-(2-chloroethyl)-N-ethyl-, hydrochloride",13105-93-6,202692,N-(2-chloroethyl)-N-ethylpropan-1-amine;hydrochloride,CCCN(CC)CCCl.Cl,"InChI=1S/C7H16ClN.ClH/c1-3-6-9(4-2)7-5-8;/h3-7H2,1-2H3;1H",LPAYIGBMBQUNHV-UHFFFAOYSA-N,C7H17Cl2N,186.12,185.0738049,,3.2,56,0,1,1,5,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cobaltate(2-), ((N,N'-1,2-ethanediylbis(N-(carboxymethyl)glycinato))(4-)-N,N',O,O',O(sup N), O(sup N)-, disodium, (OC-6-21)",15137-09-4,9865343,disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;cobalt(2+),C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Co+2],"InChI=1S/C10H16N2O8.Co.2Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;/q;+2;2*+1/p-4",SRRLDCNCJFKVFJ-UHFFFAOYSA-J,C10H12CoN2Na2O8,393.12,392.972097,,167,293,0,0,10,7,23,,,0,0,0,1,0,1,1,0,0,0,1,0,0,1,1,0,0,1,1,0
"Urea, (3-hydroxypropyl)-",16517-53-6,204506,3-hydroxypropylurea,C(CNC(=O)N)CO,"InChI=1S/C4H10N2O2/c5-4(8)6-2-1-3-7/h7H,1-3H2,(H3,5,6,8)",DNPHEDNKXRMPAX-UHFFFAOYSA-N,C4H10N2O2,118.13,118.0742276,-1.4,75.4,74,0,3,2,3,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Aspartic acid, N-methyl-",17833-53-3,4376,2-(methylamino)butanedioic acid,CNC(CC(=O)O)C(=O)O,"InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)",HOKKHZGPKSLGJE-UHFFFAOYSA-N,C5H9NO4,147.13,147.0531578,-3.4,86.6,145,0,3,5,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, N,N''-1,6-hexanediylbis(N'-(2-hydroxyethyl)-",23194-13-0,90024,1-(2-hydroxyethyl)-3-[6-(2-hydroxyethylcarbamoylamino)hexyl]urea,C(CCCNC(=O)NCCO)CCNC(=O)NCCO,"InChI=1S/C12H26N4O4/c17-9-7-15-11(19)13-5-3-1-2-4-6-14-12(20)16-8-10-18/h17-18H,1-10H2,(H2,13,15,19)(H2,14,16,20)",IEPBGXYJCMRGCN-UHFFFAOYSA-N,C12H26N4O4,290.36,290.1954053,-1.4,123,238,0,6,4,11,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hexanoic acid, 3-propyl-",25110-61-6,212838,3-propylhexanoic acid,CCCC(CCC)CC(=O)O,"InChI=1S/C9H18O2/c1-3-5-8(6-4-2)7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)",VSWVHHCWUCZFBB-UHFFFAOYSA-N,C9H18O2,158.24,158.1306798,3.2,37.3,104,0,1,2,6,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Carbamic acid, (3-(dimethylamino)propyl)-, propyl ester, hydrochloride",25606-41-1,15575641,propyl N-[3-(dimethylamino)propyl]carbamate;hydrochloride,CCCOC(=O)NCCCN(C)C.Cl,"InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H",MKIMSXGUTQTKJU-UHFFFAOYSA-N,C9H21ClN2O2,224.73,224.1291556,,41.6,138,0,2,3,7,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"Propylamine, 3,3'-dithiobis-, dihydrochloride",29205-72-9,207124,3-(3-aminopropyldisulfanyl)propan-1-amine;dihydrochloride,C(CN)CSSCCCN.Cl.Cl,InChI=1S/C6H16N2S2.2ClH/c7-3-1-5-9-10-6-2-4-8;;/h1-8H2;2*1H,UBGCDCQBNHPNME-UHFFFAOYSA-N,C6H18Cl2N2S2,253.3,252.0288463,,103,53,0,4,4,7,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pseudourea, 2-dodecyl-1,3-dimethyl-2-thio-, hydrobromide",63680-50-2,113701,"dodecyl N,N'-dimethylcarbamimidothioate;hydrobromide",CCCCCCCCCCCCSC(=NC)NC.Br,"InChI=1S/C15H32N2S.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-18-15(16-2)17-3;/h4-14H2,1-3H3,(H,16,17);1H",YSRRUZMIQBDYBJ-UHFFFAOYSA-N,C15H33BrN2S,353.4,352.15478,,49.7,193,0,2,2,13,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Cornmint oil,68917-18-0,167312527,cobalt,[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co],InChI=1S/18Co,YBGRQIPXAOGIJC-UHFFFAOYSA-N,Co18,1060.7975,1060.79748,,0,0,0,0,0,0,18,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"5-Hexenoic acid, 4-amino-, (4S)-",74046-07-4,10219440,(4S)-4-aminohex-5-enoic acid,C=C[C@H](CCC(=O)O)N,"InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-/m1/s1",PJDFLNIOAUIZSL-RXMQYKEDSA-N,C6H11NO2,129.16,129.0789786,-2.2,63.3,112,0,2,3,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Poly((dimethyliminio)-2-butene-1,4-diyl chloride), alpha-(4-(tris(2-hydroxyethyl)ammonio)-2-buten-1-yl)-gamma-(tris(2-hydroxyethyl)ammonio)-, dichloride",75345-27-6,5282453,dimethyl-bis[(E)-4-[tris(2-hydroxyethyl)azaniumyl]but-2-enyl]azanium trichloride,C[N+](C/C=C/C[N+](CCO)(CCO)CCO)(C/C=C/C[N+](CCO)(CCO)CCO)C.[Cl-].[Cl-].[Cl-],"InChI=1S/C22H48N3O6.3ClH/c1-23(2,7-3-5-9-24(11-17-26,12-18-27)13-19-28)8-4-6-10-25(14-20-29,15-21-30)16-22-31;;;/h3-6,26-31H,7-22H2,1-2H3;3*1H/q+3;;;/p-3/b5-3+,6-4+;;;",OTIWYSKRSMXGNK-VHJGTCNUSA-K,C22H48Cl3N3O6,557,555.260869,,121,424,0,6,9,20,34,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Butenedioic acid, dibromo-, dimethyl ester",,11087957,"dimethyl (E)-2,3-dibromobut-2-enedioate",COC(=O)/C(=C(/C(=O)OC)\Br)/Br,InChI=1S/C6H6Br2O4/c1-11-5(9)3(7)4(8)6(10)12-2/h1-2H3/b4-3+,XMUOGQHVYZDUCF-ONEGZZNKSA-N,C6H6Br2O4,301.92,301.86123,2,52.6,210,0,0,4,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENEDIAZONIUM, 2-METHOXY-4-NITRO-",027761-26-8,91799,2-methoxy-4-nitrobenzenediazonium,COC1=C(C=CC(=C1)[N+](=O)[O-])[N+]#N,"InChI=1S/C7H6N3O3/c1-13-7-4-5(10(11)12)2-3-6(7)9-8/h2-4H,1H3/q+1",QCONCWPZAHEPSP-UHFFFAOYSA-N,C7H6N3O3+,180.14,180.0409161,2.8,83.2,241,1,0,4,1,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"NITRO-1,3-BENZENEDIOL LEAD(2+) SALT (1:1)",070268-38-1,172526,"lead(2+);2-nitrobenzene-1,3-diolate",C1=CC(=C(C(=C1)[O-])[N+](=O)[O-])[O-].[Pb+2],"InChI=1S/C6H5NO4.Pb/c8-4-2-1-3-5(9)6(4)7(10)11;/h1-3,8-9H;/q;+2/p-2",XHJSXRAOLYVLSJ-UHFFFAOYSA-L,C6H3NO4Pb,360,360.98286,,91.9,145,0,0,4,0,12,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
TRINITROTOLUENE,000118-96-7,8376,"2-methyl-1,3,5-trinitrobenzene",CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3",SPSSULHKWOKEEL-UHFFFAOYSA-N,C7H5N3O6,227.13,227.0178349,1.6,137,292,0,0,6,0,16,"(Explodes) (NIOSH, 2024)","464 °F at 760 mmHg EXPLODES (NTP, 1992)",0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"N,N,N-TRIMETHYLBENZENEMETHANAMINIUM HYDROXIDE",000100-85-6,66854,benzyl(trimethyl)azanium hydroxide,C[N+](C)(C)CC1=CC=CC=C1.[OH-],"InChI=1S/C10H16N.H2O/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H2/q+1;/p-1",NDKBVBUGCNGSJJ-UHFFFAOYSA-M,C10H17NO,167.25,167.1310142,,1,107,0,1,1,2,12,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"BENZENE-1,3,5-D3",001684-47-5,16212250,"1,3,5-trideuteriobenzene",[2H]C1=CC(=CC(=C1)[2H])[2H],"InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,4D,5D",UHOVQNZJYSORNB-NHPOFCFZSA-N,C6H6,81.13,81.06578043,2.1,0,15,0,0,0,0,6,,,0,0,0,0,1,1,0,1,1,0,1,0,0,0,0,0,1,0,1,0
4-FLUORO-O-XYLENE,000452-64-2,253306,"4-fluoro-1,2-dimethylbenzene",CC1=C(C=C(C=C1)F)C,"InChI=1S/C8H9F/c1-6-3-4-8(9)5-7(6)2/h3-5H,1-2H3",WYHBENDEZDFJNU-UHFFFAOYSA-N,C8H9F,124.15,124.0688284,3.3,0,90,0,0,1,0,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 1-FLUORO-2-(TRIFLUOROMETHYL)-",000392-85-8,9807,1-fluoro-2-(trifluoromethyl)benzene,C1=CC=C(C(=C1)C(F)(F)F)F,"InChI=1S/C7H4F4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H",BGVGHYOIWIALFF-UHFFFAOYSA-N,C7H4F4,164.1,164.0249128,3,0,129,0,0,4,0,11,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1-FLUORO-4-(TRIFLUOROMETHYL)-",000402-44-8,67873,1-fluoro-4-(trifluoromethyl)benzene,C1=CC(=CC=C1C(F)(F)F)F,"InChI=1S/C7H4F4/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H",UNNNAIWPDLRVRN-UHFFFAOYSA-N,C7H4F4,164.1,164.0249128,3.3,0,121,0,0,4,0,11,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"ETHANONE, 2,2,2-TRIFLUORO-1-(3-FLUOROPHENYL)-",000708-64-5,69723,"2,2,2-trifluoro-1-(3-fluorophenyl)ethanone",C1=CC(=CC(=C1)F)C(=O)C(F)(F)F,"InChI=1S/C8H4F4O/c9-6-3-1-2-5(4-6)7(13)8(10,11)12/h1-4H",NQSPTMFCJGKOQJ-UHFFFAOYSA-N,C8H4F4O,192.11,192.0198274,2.9,17.1,199,0,0,5,1,13,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"MAGNESIUM, CHLORO(PHENYLMETHYL)-",006921-34-2,2733352,magnesium;methanidylbenzene;chloride,[CH2-]C1=CC=CC=C1.[Mg+2].[Cl-],"InChI=1S/C7H7.ClH.Mg/c1-7-5-3-2-4-6-7;;/h2-6H,1H2;1H;/q-1;;+2/p-1",SCEZYJKGDJPHQO-UHFFFAOYSA-M,C7H7ClMg,150.89,150.0086696,,0,50,0,0,2,0,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
BENZENE,000071-43-2,241,benzene,C1=CC=CC=C1,InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H,UHOVQNZJYSORNB-UHFFFAOYSA-N,C6H6,78.11,78.04695019,2.1,0,15,0,0,0,0,6,"12 °F (NTP, 1992)","176.2 °F at 760 mmHg (NTP, 1992)",0,0,0,0,1,1,0,1,1,0,1,0,0,0,0,0,1,0,1,0
CUMENE,000098-82-8,7406,cumene,CC(C)C1=CC=CC=C1,"InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3",RWGFKTVRMDUZSP-UHFFFAOYSA-N,C9H12,120.19,120.0939004,3.7,0,68,0,0,0,1,9,"96 °F (USCG, 1999)","306.3 °F at 760 mmHg (USCG, 1999)",0,0,0,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,1
1-METHYL-2-N-PROPYLBENZENE,001074-17-5,14091,1-methyl-2-propylbenzene,CCCC1=CC=CC=C1C,"InChI=1S/C10H14/c1-3-6-10-8-5-4-7-9(10)2/h4-5,7-8H,3,6H2,1-2H3",YQZBFMJOASEONC-UHFFFAOYSA-N,C10H14,134.22,134.1095504,4.1,0,86,0,0,0,2,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0
2-FLUOROPHENOL,000367-12-4,9707,2-fluorophenol,C1=CC=C(C(=C1)O)F,"InChI=1S/C6H5FO/c7-5-3-1-2-4-6(5)8/h1-4,8H",HFHFGHLXUCOHLN-UHFFFAOYSA-N,C6H5FO,112.1,112.0324429,1.7,20.2,74,0,1,2,0,8,,"304 to 306 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
PHENYLDIMETHYLSILANE,000766-77-8,13014,dimethyl(phenyl)silane,C[SiH](C)C1=CC=CC=C1,"InChI=1S/C8H12Si/c1-9(2)8-6-4-3-5-7-8/h3-7,9H,1-2H3",ZISUALSZTAEPJH-UHFFFAOYSA-N,C8H12Si,136.27,136.0708269,,0,72,0,0,0,1,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"3,5-BIS(TRIFLUOROMETHYL)BENZYL BROMIDE",032247-96-4,122573,"1-(bromomethyl)-3,5-bis(trifluoromethyl)benzene",C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CBr,"InChI=1S/C9H5BrF6/c10-4-5-1-6(8(11,12)13)3-7(2-5)9(14,15)16/h1-3H,4H2",ATLQGZVLWOURFU-UHFFFAOYSA-N,C9H5BrF6,307.03,305.94788,4.2,0,211,0,0,6,1,16,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, 1-(CHLOROMETHYL)-3-FLUORO-",000456-42-8,9974,1-(chloromethyl)-3-fluorobenzene,C1=CC(=CC(=C1)F)CCl,"InChI=1S/C7H6ClF/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2",XBDXMDVEZLOGMC-UHFFFAOYSA-N,C7H6ClF,144.57,144.014206,2.8,0,85,0,0,1,1,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"2-ETHYL-1,4-DIMETHYLBENZENE",001758-88-9,15653,"2-ethyl-1,4-dimethylbenzene",CCC1=C(C=CC(=C1)C)C,"InChI=1S/C10H14/c1-4-10-7-8(2)5-6-9(10)3/h5-7H,4H2,1-3H3",AXIUBBVSOWPLDA-UHFFFAOYSA-N,C10H14,134.22,134.1095504,3.4,0,96,0,0,0,1,10,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"BENZENEMETHANAMINE, N-(1,1-DIMETHYLETHYL)-",003378-72-1,76908,N-benzyl-2-methylpropan-2-amine,CC(C)(C)NCC1=CC=CC=C1,"InChI=1S/C11H17N/c1-11(2,3)12-9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3",DLSOILHAKCBARI-UHFFFAOYSA-N,C11H17N,163.26,163.1360995,2.5,12,117,0,1,1,3,12,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"BENZENEMETHANAMINE, 3-CHLORO-N-METHYL-",039191-07-6,122721,1-(3-chlorophenyl)-N-methylmethanamine,CNCC1=CC(=CC=C1)Cl,"InChI=1S/C8H10ClN/c1-10-6-7-3-2-4-8(9)5-7/h2-5,10H,6H2,1H3",ZPNLAQVYPIAHTO-UHFFFAOYSA-N,C8H10ClN,155.62,155.050177,2.2,12,95,0,1,1,2,10,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
3-ETHYLVINYLBENZENE (3-ETHYLSTYRENE),007525-62-4,24143,1-ethenyl-3-ethylbenzene,CCC1=CC(=CC=C1)C=C,"InChI=1S/C10H12/c1-3-9-6-5-7-10(4-2)8-9/h3,5-8H,1,4H2,2H3",XHUZSRRCICJJCN-UHFFFAOYSA-N,C10H12,132.2,132.0939004,3.5,0,105,0,0,0,2,10,,,0,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
1-BROMO-4-FLUOROBENZENE,000460-00-4,9993,1-bromo-4-fluorobenzene,C1=CC(=CC=C1F)Br,InChI=1S/C6H4BrF/c7-5-1-3-6(8)4-2-5/h1-4H,AITNMTXHTIIIBB-UHFFFAOYSA-N,C6H4BrF,175,173.94804,3.2,0,66,0,0,1,0,8,"140 °F (NTP, 1992)","306 °F at 764 mmHg (NTP, 1992)",0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
DIMETHYLPHENYLPHOSPHINE,000672-66-2,69597,dimethyl(phenyl)phosphane,CP(C)C1=CC=CC=C1,"InChI=1S/C8H11P/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3",HASCQPSFPAKVEK-UHFFFAOYSA-N,C8H11P,138.15,138.0598373,1.5,0,72,0,0,0,1,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
2-METHYL-1-PHENYL-1-PROPENE,000768-49-0,13030,2-methylprop-1-enylbenzene,CC(=CC1=CC=CC=C1)C,"InChI=1S/C10H12/c1-9(2)8-10-6-4-3-5-7-10/h3-8H,1-2H3",BTOVVHWKPVSLBI-UHFFFAOYSA-N,C10H12,132.2,132.0939004,3.8,0,112,0,0,0,1,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
4-METHYLANISOLE,000104-93-8,7731,1-methoxy-4-methylbenzene,CC1=CC=C(C=C1)OC,"InChI=1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3",CHLICZRVGGXEOD-UHFFFAOYSA-N,C8H10O,122.16,122.0731649,2.7,9.2,72,0,0,1,1,9,60 °C,175.5 °C AT 760 MM HG,0,0,0,1,0,0,1,1,1,0,0,0,0,1,0,0,1,0,0,0
"2,5-DIFLUOROBENZALDE",002646-90-4,137663,"2,5-difluorobenzaldehyde",C1=CC(=C(C=C1F)C=O)F,InChI=1S/C7H4F2O/c8-6-1-2-7(9)5(3-6)4-10/h1-4H,VVVOJODFBWBNBI-UHFFFAOYSA-N,C7H4F2O,142.1,142.0230211,1.8,17.1,127,0,0,3,1,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"(2,2-DIMETHYLPROPYL)BENZENE",001007-26-7,13877,"2,2-dimethylpropylbenzene",CC(C)(C)CC1=CC=CC=C1,"InChI=1S/C11H16/c1-11(2,3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3",CJGXJKVMUHXVHL-UHFFFAOYSA-N,C11H16,148.24,148.1252005,4.3,0,102,0,0,0,2,11,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2,3,4,5,6-PENTAFLUOROSTYRENE",000653-34-9,69556,"1-ethenyl-2,3,4,5,6-pentafluorobenzene",C=CC1=C(C(=C(C(=C1F)F)F)F)F,"InChI=1S/C8H3F5/c1-2-3-4(9)6(11)8(13)7(12)5(3)10/h2H,1H2",LVJZCPNIJXVIAT-UHFFFAOYSA-N,C8H3F5,194.1,194.0154909,3.2,0,179,0,0,5,1,13,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, (ETHOXYMETHYL)-",000539-30-0,10873,ethoxymethylbenzene,CCOCC1=CC=CC=C1,"InChI=1S/C9H12O/c1-2-10-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3",AXPZDYVDTMMLNB-UHFFFAOYSA-N,C9H12O,136.19,136.088815,2.3,9.2,74,0,0,1,3,10,,87.00 to 88.00 °C. @ 30.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"STYRENE-BETA,BETA-D2",000934-85-0,12998934,"2,2-dideuterioethenylbenzene",[2H]C(=CC1=CC=CC=C1)[2H],"InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2/i1D2",PPBRXRYQALVLMV-DICFDUPASA-N,C8H8,106.16,106.0751537,2.9,0,68,0,0,0,1,8,,,0,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"SILANE, DIMETHYL(PHENYLMETHYL)-",001631-70-5,6328719,,C[Si](C)CC1=CC=CC=C1,"InChI=1S/C9H13Si/c1-10(2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3",SKDKWDVYZOKBPL-UHFFFAOYSA-N,C9H13Si,149.28,149.0786519,,0,82,0,0,0,2,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"ETHANONE, 1-[4-(2-METHYLPROPYL)PHENYL]-",038861-78-8,93214,1-[4-(2-methylpropyl)phenyl]ethanone,CC(C)CC1=CC=C(C=C1)C(=O)C,"InChI=1S/C12H16O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13/h4-7,9H,8H2,1-3H3",KEAGRYYGYWZVPC-UHFFFAOYSA-N,C12H16O,176.25,176.1201151,3.3,17.1,164,0,0,1,3,13,,,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,1,1,0,0
4-VINYLANISOLE,000637-69-4,12507,1-ethenyl-4-methoxybenzene,COC1=CC=C(C=C1)C=C,"InChI=1S/C9H10O/c1-3-8-4-6-9(10-2)7-5-8/h3-7H,1H2,2H3",UAJRSHJHFRVGMG-UHFFFAOYSA-N,C9H10O,134.17,134.0731649,3.1,9.2,101,0,0,1,2,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"2',3',4',5',6'-PENTAFLUOROACETOPHENONE",000652-29-9,69546,"1-(2,3,4,5,6-pentafluorophenyl)ethanone",CC(=O)C1=C(C(=C(C(=C1F)F)F)F)F,InChI=1S/C8H3F5O/c1-2(14)3-4(9)6(11)8(13)7(12)5(3)10/h1H3,FBGHCYZBCMDEOX-UHFFFAOYSA-N,C8H3F5O,210.1,210.0104055,2.1,17.1,218,0,0,6,1,14,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
1-CHLORO-2-METHOXY-BENZENE,000766-51-8,13011,1-chloro-2-methoxybenzene,COC1=CC=CC=C1Cl,"InChI=1S/C7H7ClO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3",QGRPVMLBTFGQDQ-UHFFFAOYSA-N,C7H7ClO,142.58,142.0185425,2.7,9.2,85,0,0,1,1,9,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
3-BROMO-4-FLUOROBENZOTRIFLUORIDE,068322-84-9,144295,2-bromo-1-fluoro-4-(trifluoromethyl)benzene,C1=CC(=C(C=C1C(F)(F)F)Br)F,"InChI=1S/C7H3BrF4/c8-5-3-4(7(10,11)12)1-2-6(5)9/h1-3H",RZJOIMPUMMQKFR-UHFFFAOYSA-N,C7H3BrF4,243,241.93543,3.6,0,156,0,0,4,0,12,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2,4-DINITROPHENYL HYDRAZINE",000119-26-6,3772977,"(2,4-dinitrophenyl)hydrazine",C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NN,"InChI=1S/C6H6N4O4/c7-8-5-2-1-4(9(11)12)3-6(5)10(13)14/h1-3,8H,7H2",HORQAOAYAYGIBM-UHFFFAOYSA-N,C6H6N4O4,198.14,198.0389047,1.5,130,235,0,2,6,1,14,,,0,0,0,1,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0
PENTAMETHYLBENZENE,000700-12-9,12784,"1,2,3,4,5-pentamethylbenzene",CC1=CC(=C(C(=C1C)C)C)C,"InChI=1S/C11H16/c1-7-6-8(2)10(4)11(5)9(7)3/h6H,1-5H3",BEZDDPMMPIDMGJ-UHFFFAOYSA-N,C11H16,148.24,148.1252005,4.6,0,114,0,0,0,0,11,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
IODOSYLBENZENE,000536-80-1,92125,iodosylbenzene,C1=CC=C(C=C1)I=O,InChI=1S/C6H5IO/c8-7-6-4-2-1-3-5-6/h1-5H,JYJVVHFRSFVEJM-UHFFFAOYSA-N,C6H5IO,220.01,219.93851,2,17.1,76,0,0,1,0,8,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,0
"2,4-DINITROPHENYLHYDRAZINIUM(1+) CHLORIDE",055907-61-4,5463312,"(2,4-dinitrophenyl)hydrazine;hydrochloride",C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NN.Cl,"InChI=1S/C6H6N4O4.ClH/c7-8-5-2-1-4(9(11)12)3-6(5)10(13)14;/h1-3,8H,7H2;1H",PUYFAZQODQZOFK-UHFFFAOYSA-N,C6H7ClN4O4,234.6,234.0155824,,130,235,0,3,6,1,15,,,0,0,0,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,0
"PHENOL, 5-METHOXY-2-NITROSO-",013895-38-0,83801,5-methoxy-2-nitrosophenol,COC1=CC(=C(C=C1)N=O)O,"InChI=1S/C7H7NO3/c1-11-5-2-3-6(8-10)7(9)4-5/h2-4,9H,1H3",RNBFLAJNUZQUIK-UHFFFAOYSA-N,C7H7NO3,153.14,153.0425931,1.5,58.9,140,0,1,4,1,11,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,0
TOLUENE-4-SULFONOHYDRAZIDE,001576-35-8,15303,4-methylbenzenesulfonohydrazide,CC1=CC=C(C=C1)S(=O)(=O)NN,"InChI=1S/C7H10N2O2S/c1-6-2-4-7(5-3-6)12(10,11)9-8/h2-5,9H,8H2,1H3",ICGLPKIVTVWCFT-UHFFFAOYSA-N,C7H10N2O2S,186.23,186.0462987,0.2,80.6,224,0,2,4,2,12,,,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0
"HYDROPEROXIDE, 1-METHYL-1-[4-(1-METHYLETHYL)PHENYL]ETHYL",000098-49-7,60989,1-(2-hydroperoxypropan-2-yl)-4-propan-2-ylbenzene,CC(C)C1=CC=C(C=C1)C(C)(C)OO,"InChI=1S/C12H18O2/c1-9(2)10-5-7-11(8-6-10)12(3,4)14-13/h5-9,13H,1-4H3",HWCBEGMIBCYKST-UHFFFAOYSA-N,C12H18O2,194.27,194.1306798,2.8,29.5,167,0,1,2,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,1,1,0,0,0
"PHENOL, 2-NITRO-, SODIUM SALT",000824-39-5,69985,sodium 2-nitrophenolate,C1=CC=C(C(=C1)[N+](=O)[O-])[O-].[Na+],"InChI=1S/C6H5NO3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H;/q;+1/p-1",AXKBOWBNOCUNJL-UHFFFAOYSA-M,C6H4NNaO3,161.09,161.0088873,,68.9,131,0,0,3,0,11,,,1,0,0,1,0,0,1,1,0,0,0,0,1,0,0,1,0,0,0,0
"BENZOYL CHLORIDE, 2,5-DICHLORO-",002905-61-5,17945,"2,5-dichlorobenzoyl chloride",C1=CC(=C(C=C1Cl)C(=O)Cl)Cl,InChI=1S/C7H3Cl3O/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,RSINFFVFOTUDEC-UHFFFAOYSA-N,C7H3Cl3O,209.5,207.924948,3.8,17.1,160,0,0,1,1,11,,,0,0,0,1,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,1
"BENZENESULFONYL CHLORIDE, 2,5-DIMETHYL-",019040-62-1,87910,"2,5-dimethylbenzenesulfonyl chloride",CC1=CC(=C(C=C1)C)S(=O)(=O)Cl,"InChI=1S/C8H9ClO2S/c1-6-3-4-7(2)8(5-6)12(9,10)11/h3-5H,1-2H3",FZVZUIBYLZZOEW-UHFFFAOYSA-N,C8H9ClO2S,204.67,204.0011784,2.7,42.5,242,0,0,2,1,12,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"BENZENE, (CHLOROMETHYL)ETHYL-",026968-58-1,524243,1-(chloromethyl)-2-ethylbenzene,CCC1=CC=CC=C1CCl,"InChI=1S/C9H11Cl/c1-2-8-5-3-4-6-9(8)7-10/h3-6H,2,7H2,1H3",IYRCFBNKBGBMIT-UHFFFAOYSA-N,C9H11Cl,154.63,154.054928,3.1,0,90,0,0,0,2,10,,,0,0,0,1,0,1,0,1,0,0,0,1,0,0,0,0,1,0,0,1
"BENZENE, 1-CHLORO-2-(DICHLOROMETHYL)-",000088-66-4,66624,1-chloro-2-(dichloromethyl)benzene,C1=CC=C(C(=C1)C(Cl)Cl)Cl,"InChI=1S/C7H5Cl3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,7H",BXSVYGKOUULJCL-UHFFFAOYSA-N,C7H5Cl3,195.5,193.945683,3.7,0,103,0,0,0,1,10,,,0,0,0,1,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,1
"BENZENE, 1-(CHLOROMETHYL)-2-METHYL-",000552-45-4,11093,1-(chloromethyl)-2-methylbenzene,CC1=CC=CC=C1CCl,"InChI=1S/C8H9Cl/c1-7-4-2-3-5-8(7)6-9/h2-5H,6H2,1H3",VQRBXYBBGHOGFT-UHFFFAOYSA-N,C8H9Cl,140.61,140.039278,2.9,0,80,0,0,0,1,9,165 °F,195-203 °C,0,0,0,1,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
4-PHENYLTHIOSEMICARBAZIDE,005351-69-9,730679,1-amino-3-phenylthiourea,C1=CC=C(C=C1)NC(=S)NN,"InChI=1S/C7H9N3S/c8-10-7(11)9-6-4-2-1-3-5-6/h1-5H,8H2,(H2,9,10,11)",KKIGUVBJOHCXSP-UHFFFAOYSA-N,C7H9N3S,167.23,167.0517185,0.8,82.2,132,0,3,2,1,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DL-4-FLUOROPHENYLALANINE,000051-65-0,4654,2-amino-3-(4-fluorophenyl)propanoic acid,C1=CC(=CC=C1CC(C(=O)O)N)F,"InChI=1S/C9H10FNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)",XWHHYOYVRVGJJY-UHFFFAOYSA-N,C9H10FNO2,183.18,183.0695567,-1.9,63.3,178,0,2,4,3,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"N,N-DIMETHYL-P-PHENYLENEDIAMINE MONOHYDROCHLORIDE",002052-46-2,7736,"4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride",CN(C)C1=CC=C(C=C1)N.Cl,"InChI=1S/C8H12N2.ClH/c1-10(2)8-5-3-7(9)4-6-8;/h3-6H,9H2,1-2H3;1H",KTWNIUBGGFBRKH-UHFFFAOYSA-N,C8H13ClN2,172.65,172.0767261,,29.3,93,0,2,2,1,11,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
L-NOREPINEPHRINE,000051-41-2,439260,"4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol",C1=CC(=C(C=C1[C@H](CN)O)O)O,"InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1",SFLSHLFXELFNJZ-QMMMGPOBSA-N,C8H11NO3,169.18,169.0738932,-1.2,86.7,142,0,4,4,2,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"N,N-DIMETHYL-P-PHENYLENEDIAMINE DIHYDROCHLORIDE",000536-46-9,2724166,"4-N,4-N-dimethylbenzene-1,4-diamine;dihydrochloride",CN(C)C1=CC=C(C=C1)N.Cl.Cl,"InChI=1S/C8H12N2.2ClH/c1-10(2)8-5-3-7(9)4-6-8;;/h3-6H,9H2,1-2H3;2*1H",IAEDWDXMFDKWFU-UHFFFAOYSA-N,C8H14Cl2N2,209.11,208.0534038,,29.3,93,0,3,2,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
P-CHLOROMERCURIBENZOIC ACID,000059-85-8,1730,(4-carboxyphenyl)-chloromercury,C1=CC(=CC=C1C(=O)O)[Hg]Cl,"InChI=1S/C7H5O2.ClH.Hg/c8-7(9)6-4-2-1-3-5-6;;/h2-5H,(H,8,9);1H;/q;;+1/p-1",YFZOUMNUDGGHIW-UHFFFAOYSA-M,C7H5ClHgO2,357.16,357.968451,,37.3,143,0,1,2,1,11,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"1,2,4,5-BENZENETETRACARBONITRILE",000712-74-3,12838,"benzene-1,2,4,5-tetracarbonitrile",C1=C(C(=CC(=C1C#N)C#N)C#N)C#N,InChI=1S/C10H2N4/c11-3-7-1-8(4-12)10(6-14)2-9(7)5-13/h1-2H,FAAXSAZENACQBT-UHFFFAOYSA-N,C10H2N4,178.15,178.0279461,0.8,95.2,332,0,0,4,0,14,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"(1-METHYLETHYL)PHOSPHORAMIDIC ACID, ETHYL 3-METHYL-4-(METHYLSULFONYL)PHENYL ESTER",031972-44-8,36028,N-[ethoxy-(3-methyl-4-methylsulfonylphenoxy)phosphoryl]propan-2-amine,CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)S(=O)(=O)C)C,"InChI=1S/C13H22NO5PS/c1-6-18-20(15,14-10(2)3)19-12-7-8-13(11(4)9-12)21(5,16)17/h7-10H,6H2,1-5H3,(H,14,15)",LVNYJXIBJFXIRZ-UHFFFAOYSA-N,C13H22NO5PS,335.36,335.095631,2,90.1,473,0,1,6,7,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CHLORO(4-METHYLPHENYL)MERCURY,000539-43-5,101757,chloro-(4-methylphenyl)mercury,CC1=CC=C(C=C1)[Hg]Cl,"InChI=1S/C7H7.ClH.Hg/c1-7-5-3-2-4-6-7;;/h3-6H,1H3;1H;/q;;+1/p-1",PWIXOHDPHIQCLY-UHFFFAOYSA-M,C7H7ClHg,327.17,327.994272,,0,77,0,0,0,0,9,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"Aniline, 4-chloro-3-nitro-",000635-22-3,12477,4-chloro-3-nitroaniline,C1=CC(=C(C=C1N)[N+](=O)[O-])Cl,"InChI=1S/C6H5ClN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2",FOHHWGVAOVDVLP-UHFFFAOYSA-N,C6H5ClN2O2,172.57,172.0039551,2.1,71.8,159,0,1,3,0,11,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"PHOSPHORIC ACID, DIMETHYL 4-(METHYLTHIO)PHENYL ESTER",003254-63-5,18621,dimethyl (4-methylsulfanylphenyl) phosphate,COP(=O)(OC)OC1=CC=C(C=C1)SC,"InChI=1S/C9H13O4PS/c1-11-14(10,12-2)13-8-4-6-9(15-3)7-5-8/h4-7H,1-3H3",BUDNNLHZOCBLAU-UHFFFAOYSA-N,C9H13O4PS,248.24,248.0272171,2,70.1,220,0,0,5,5,15,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-(O-CHLOROPHENYL)THIOUREA,005344-82-1,737139,(2-chlorophenyl)thiourea,C1=CC=C(C(=C1)NC(=S)N)Cl,"InChI=1S/C7H7ClN2S/c8-5-3-1-2-4-6(5)10-7(9)11/h1-4H,(H3,9,10,11)",YZUKKTCDYSIWKJ-UHFFFAOYSA-N,C7H7ClN2S,186.66,186.0018471,1.9,70.1,151,0,2,1,1,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
PHENYLMERCURIC CHLORIDE,000100-56-1,7511,chloro(phenyl)mercury,C1=CC=C(C=C1)[Hg]Cl,InChI=1S/C6H5.ClH.Hg/c1-2-4-6-5-3-1;;/h1-5H;1H;/q;;+1/p-1,AWGTVRDHKJQFAX-UHFFFAOYSA-M,C6H5ClHg,313.15,313.978621,,0,59,0,0,0,0,8,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"1,2-DIFLUORO-4,5-DINITROBENZENE",085686-97-1,12700910,"1,2-difluoro-4,5-dinitrobenzene",C1=C(C(=CC(=C1F)F)[N+](=O)[O-])[N+](=O)[O-],InChI=1S/C6H2F2N2O4/c7-3-1-5(9(11)12)6(10(13)14)2-4(3)8/h1-2H,XOAAAPHKZDETSB-UHFFFAOYSA-N,C6H2F2N2O4,204.09,203.9982629,1.8,91.6,225,0,0,6,0,14,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
"2,4-DINITROPHENOL",000051-28-5,1493,"2,4-dinitrophenol",C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O,"InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H",UFBJCMHMOXMLKC-UHFFFAOYSA-N,C6H4N2O5,184.11,184.0120212,1.7,112,220,0,1,5,0,13,,"Sublimes (when carefully heated) (NTP, 1992)",1,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
P-DINITROBENZENE,000100-25-4,7492,"1,4-dinitrobenzene",C1=CC(=CC=C1[N+](=O)[O-])[N+](=O)[O-],InChI=1S/C6H4N2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,FYFDQJRXFWGIBS-UHFFFAOYSA-N,C6H4N2O4,168.11,168.0171066,1.5,91.6,165,0,0,4,0,12,"302 °F (USCG, 1999)","570.2 °F at 760 mmHg (USCG, 1999)",1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
DINITRO-O-CRESOL,000534-52-1,10800,"2-methyl-4,6-dinitrophenol",CC1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,1H3",ZXVONLUNISGICL-UHFFFAOYSA-N,C7H6N2O5,198.13,198.0276713,2.1,112,245,0,1,5,0,14,"None (EPA, 1998)","594 °F at 760 mmHg (EPA, 1998)",1,1,1,1,0,0,1,1,0,0,1,0,0,0,0,0,1,1,0,0
CHLORFENVINPHOS,000470-90-6,10107,"[2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate",CCOP(=O)(OCC)OC(=CCl)C1=C(C=C(C=C1)Cl)Cl,"InChI=1S/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3",FSAVDKDHPDSCTO-UHFFFAOYSA-N,C12H14Cl3O4P,359.6,357.969529,3.1,44.8,368,0,0,4,7,20,,"333 to 338 °F at 0.5 mmHg (EPA, 1998)",1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
M-NITROBENZONITRILE,000619-24-9,12079,3-nitrobenzonitrile,C1=CC(=CC(=C1)[N+](=O)[O-])C#N,InChI=1S/C7H4N2O2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H,RUSAWEHOGCWOPG-UHFFFAOYSA-N,C7H4N2O2,148.12,148.0272774,1.2,69.6,200,0,0,3,0,11,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PHENYLARSINE OXIDE,000637-03-6,4778,arsorosobenzene,C1=CC=C(C=C1)[As]=O,InChI=1S/C6H5AsO/c8-7-6-4-2-1-3-5-6/h1-5H,BQVCCPGCDUSGOE-UHFFFAOYSA-N,C6H5AsO,168.02,167.955634,,17.1,76,0,0,1,0,8,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,6-DIMETHYLPHENOL",000576-26-1,11335,"2,6-dimethylphenol",CC1=C(C(=CC=C1)C)O,"InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3",NXXYKOUNUYWIHA-UHFFFAOYSA-N,C8H10O,122.16,122.0731649,2.4,20.2,80,0,1,1,0,9,"165 °F (NTP, 1992)","397 °F at 760 mmHg (NTP, 1992)",0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"N,N-DIMETHYL-P-PHENYLENEDIAMINE SULFATE",006219-73-4,80351,"4-N,4-N-dimethylbenzene-1,4-diamine;sulfuric acid",CN(C)C1=CC=C(C=C1)N.OS(=O)(=O)O,"InChI=1S/C8H12N2.H2O4S/c1-10(2)8-5-3-7(9)4-6-8;1-5(2,3)4/h3-6H,9H2,1-2H3;(H2,1,2,3,4)",GLUKPDKNLKRLHX-UHFFFAOYSA-N,C8H14N2O4S,234.28,234.0674281,,112,175,0,3,6,1,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PHENYLARSONIC ACID,000098-05-5,7365,phenylarsonic acid,C1=CC=C(C=C1)[As](=O)(O)O,"InChI=1S/C6H7AsO3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H,(H2,8,9,10)",LVKZSFMYNWRPJX-UHFFFAOYSA-N,C6H7AsO3,202.04,201.961114,,57.5,145,0,2,3,1,10,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
PHENYLMETHYLSULFONYL FLUORIDE,000329-98-6,4784,phenylmethanesulfonyl fluoride,C1=CC=C(C=C1)CS(=O)(=O)F,"InChI=1S/C7H7FO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2",YBYRMVIVWMBXKQ-UHFFFAOYSA-N,C7H7FO2S,174.19,174.0150788,1.3,42.5,199,0,0,3,2,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
THIOBENZAMIDE,002227-79-4,683563,benzenecarbothioamide,C1=CC=C(C=C1)C(=S)N,"InChI=1S/C7H7NS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)",QIOZLISABUUKJY-UHFFFAOYSA-N,C7H7NS,137.2,137.0299204,1.5,58.1,105,0,1,1,1,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BENZOIC HYDRAZIDE,000613-94-5,11955,benzohydrazide,C1=CC=C(C=C1)C(=O)NN,"InChI=1S/C7H8N2O/c8-9-7(10)6-4-2-1-3-5-6/h1-5H,8H2,(H,9,10)",WARCRYXKINZHGQ-UHFFFAOYSA-N,C7H8N2O,136.15,136.0636629,0.2,55.1,119,0,2,2,1,10,,267 °C (decomposes),0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-METHYL-3-NITROANILINE,000119-32-4,8390,4-methyl-3-nitroaniline,CC1=C(C=C(C=C1)N)[N+](=O)[O-],"InChI=1S/C7H8N2O2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,8H2,1H3",GDIIPKWHAQGCJF-UHFFFAOYSA-N,C7H8N2O2,152.15,152.0585775,1.7,71.8,155,0,1,3,0,11,"315 °F (NTP, 1992)",,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
M-FLUOROANILINE,000372-19-0,9742,3-fluoroaniline,C1=CC(=CC(=C1)F)N,"InChI=1S/C6H6FN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2",QZVQQUVWFIZUBQ-UHFFFAOYSA-N,C6H6FN,111.12,111.0484274,1.3,26,74,0,1,2,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"N,N-DIETHYL-N'-PHENYLETHYLENEDIAMINE",001665-59-4,74271,"N',N'-diethyl-N-phenylethane-1,2-diamine",CCN(CC)CCNC1=CC=CC=C1,"InChI=1S/C12H20N2/c1-3-14(4-2)11-10-13-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3",QUMIGAREEPSVLG-UHFFFAOYSA-N,C12H20N2,192.3,192.1626486,2.3,15.3,126,0,1,2,6,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
4-AMINOBENZONITRILE,000873-74-5,13396,4-aminobenzonitrile,C1=CC(=CC=C1C#N)N,"InChI=1S/C7H6N2/c8-5-6-1-3-7(9)4-2-6/h1-4H,9H2",YBAZINRZQSAIAY-UHFFFAOYSA-N,C7H6N2,118.14,118.0530982,1.3,49.8,125,0,1,2,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-HYDROXYBENZENAMINE,000100-65-2,7518,N-phenylhydroxylamine,C1=CC=C(C=C1)NO,"InChI=1S/C6H7NO/c8-7-6-4-2-1-3-5-6/h1-5,7-8H",CKRZKMFTZCFYGB-UHFFFAOYSA-N,C6H7NO,109.13,109.0527638,0.8,32.3,59,0,2,2,1,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4,6-TRIBROMOBENZENAMINE",000147-82-0,8986,"2,4,6-tribromoaniline",C1=C(C=C(C(=C1Br)N)Br)Br,"InChI=1S/C6H4Br3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2",GVPODVKBTHCGFU-UHFFFAOYSA-N,C6H4Br3N,329.81,328.78734,3.3,26,108,0,1,1,0,10,,300 °C,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,0
3-PHENYLPROPIONITRILE,000645-59-0,12581,3-phenylpropanenitrile,C1=CC=C(C=C1)CCC#N,"InChI=1S/C9H9N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7H2",ACRWYXSKEHUQDB-UHFFFAOYSA-N,C9H9N,131.17,131.0734993,1.7,23.8,125,0,0,1,2,10,,261.00 °C. @ 760.00 mm Hg,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N-DIETHYL-4-NITROANILINE",002216-15-1,75185,"N,N-diethyl-4-nitroaniline",CCN(CC)C1=CC=C(C=C1)[N+](=O)[O-],"InChI=1S/C10H14N2O2/c1-3-11(4-2)9-5-7-10(8-6-9)12(13)14/h5-8H,3-4H2,1-2H3",CFPIZMWTMRWZRO-UHFFFAOYSA-N,C10H14N2O2,194.23,194.1055277,3,49.1,179,0,0,3,3,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-BROMO-1,3-BENZENEDICARBOXYLIC ACID",023351-91-9,90073,"5-bromobenzene-1,3-dicarboxylic acid",C1=C(C=C(C=C1C(=O)O)Br)C(=O)O,"InChI=1S/C8H5BrO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3H,(H,10,11)(H,12,13)",JATKASGNRMGFSW-UHFFFAOYSA-N,C8H5BrO4,245.03,243.93712,1.7,74.6,206,0,2,4,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4,6-TRIFLUOROBENZONITRILE",096606-37-0,737177,"2,4,6-trifluorobenzonitrile",C1=C(C=C(C(=C1F)C#N)F)F,InChI=1S/C7H2F3N/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2H,HTKFGTCCOJIUIK-UHFFFAOYSA-N,C7H2F3N,157.09,157.0139336,1.9,23.8,173,0,0,4,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TOSYLACETONITRILE,005697-44-9,79776,2-(4-methylphenyl)sulfonylacetonitrile,CC1=CC=C(C=C1)S(=O)(=O)CC#N,"InChI=1S/C9H9NO2S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h2-5H,7H2,1H3",BBNNLJMGPASZPD-UHFFFAOYSA-N,C9H9NO2S,195.24,195.0353997,1.3,66.3,298,0,0,3,2,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 2,6-DIIODO-4-NITRO-",000305-85-1,9370,"2,6-diiodo-4-nitrophenol",C1=C(C=C(C(=C1I)O)I)[N+](=O)[O-],"InChI=1S/C6H3I2NO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H",UVGTXNPVQOQFQW-UHFFFAOYSA-N,C6H3I2NO3,390.9,390.82024,2.1,66.1,172,0,1,3,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-CHLORO-4-FLUORONITROBENZENE,000350-30-1,67688,2-chloro-1-fluoro-4-nitrobenzene,C1=CC(=C(C=C1[N+](=O)[O-])Cl)F,InChI=1S/C6H3ClFNO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,DPHCXXYPSYMICK-UHFFFAOYSA-N,C6H3ClFNO2,175.54,174.9836342,2.6,45.8,161,0,0,3,0,11,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"Aniline, N-ethyl-N-nitroso-",000612-64-6,11929,N-ethyl-N-phenylnitrous amide,CCN(C1=CC=CC=C1)N=O,"InChI=1S/C8H10N2O/c1-2-10(9-11)8-6-4-3-5-7-8/h3-7H,2H2,1H3",WXRXVZXYLBWKRG-UHFFFAOYSA-N,C8H10N2O,150.18,150.0793129,2.1,32.7,121,0,0,3,2,11,,"266 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Biguanide, 1-(p-chlorophenyl)-5-isopropyl-, monohydrochloride",000637-32-1,9570076,(1E)-1-[amino-(4-chloroanilino)methylidene]-2-propan-2-ylguanidine;hydrochloride,CC(C)N=C(N)/N=C(\N)/NC1=CC=C(C=C1)Cl.Cl,"InChI=1S/C11H16ClN5.ClH/c1-7(2)15-10(13)17-11(14)16-9-5-3-8(12)4-6-9;/h3-7H,1-2H3,(H5,13,14,15,16,17);1H",SARMGXPVOFNNNG-UHFFFAOYSA-N,C11H17Cl2N5,290.19,289.086101,,88.8,292,0,4,1,4,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENAMINE, N,3-DIMETHYL-",000696-44-6,69675,"N,3-dimethylaniline",CC1=CC(=CC=C1)NC,"InChI=1S/C8H11N/c1-7-4-3-5-8(6-7)9-2/h3-6,9H,1-2H3",FBGJJTQNZVNEQU-UHFFFAOYSA-N,C8H11N,121.18,121.0891494,2.6,12,80,0,1,1,1,9,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"BENZENAMINE, N,N,2,6-TETRAMETHYL-",000769-06-2,69853,"N,N,2,6-tetramethylaniline",CC1=C(C(=CC=C1)C)N(C)C,"InChI=1S/C10H15N/c1-8-6-5-7-9(2)10(8)11(3)4/h5-7H,1-4H3",SCVRZFQSPISLTD-UHFFFAOYSA-N,C10H15N,149.23,149.1204495,2.8,3.2,110,0,0,1,1,11,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
4-VINYLPHENOL,002628-17-3,62453,4-ethenylphenol,C=CC1=CC=C(C=C1)O,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",FUGYGGDSWSUORM-UHFFFAOYSA-N,C8H8O,120.15,120.0575149,2.4,20.2,90,0,1,1,1,9,,,0,1,1,1,0,0,0,1,0,0,1,0,0,1,1,0,1,1,1,1
"BENZENE, 1,4-DICHLORO-2-ISOCYANATO-",005392-82-5,79360,"1,4-dichloro-2-isocyanatobenzene",C1=CC(=C(C=C1Cl)N=C=O)Cl,InChI=1S/C7H3Cl2NO/c8-5-1-2-6(9)7(3-5)10-4-11/h1-3H,PEQMJVGRHNZPAM-UHFFFAOYSA-N,C7H3Cl2NO,188.01,186.9591691,4,29.4,179,0,0,2,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
C.I. SOLVENT BLACK 7,008005-02-5,73894736,N-[4-(2-hydroxyethylsulfamoyl)phenyl]hexanamide,CCCCCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCO,"InChI=1S/C14H22N2O4S/c1-2-3-4-5-14(18)16-12-6-8-13(9-7-12)21(19,20)15-10-11-17/h6-9,15,17H,2-5,10-11H2,1H3,(H,16,18)",ZOTFNDQLJIXYRU-UHFFFAOYSA-N,C14H22N2O4S,314.4,314.1300284,1.3,104,398,0,3,5,9,21,,,1,1,1,1,0,1,0,1,0,0,1,0,0,0,0,0,0,1,1,0
"BENZENAMINE, 4-(ETHYLSULFONYL)-2-NITRO-",023306-60-7,90061,4-ethylsulfonyl-2-nitroaniline,CCS(=O)(=O)C1=CC(=C(C=C1)N)[N+](=O)[O-],"InChI=1S/C8H10N2O4S/c1-2-15(13,14)6-3-4-7(9)8(5-6)10(11)12/h3-5H,2,9H2,1H3",NAELBNIEPRXPCO-UHFFFAOYSA-N,C8H10N2O4S,230.24,230.036128,0.8,114,330,0,1,5,2,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"1,2-BENZENEDIAMINE, N-METHYL-, DIHYDROCHLORIDE",025148-68-9,91296,"2-N-methylbenzene-1,2-diamine;dihydrochloride",CNC1=CC=CC=C1N.Cl.Cl,"InChI=1S/C7H10N2.2ClH/c1-9-7-5-3-2-4-6(7)8;;/h2-5,9H,8H2,1H3;2*1H",DKEONVNYXODZRQ-UHFFFAOYSA-N,C7H12Cl2N2,195.09,194.0377538,,38.1,83,0,4,2,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Benzenemethanol, 4-amino-3,5-dichloro-alpha-(((1,1-dimethylethyl)amino)methyl)",037148-27-9,2783,"1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol",CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O,"InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3",STJMRWALKKWQGH-UHFFFAOYSA-N,C12H18Cl2N2O,277.19,276.0796186,2.2,58.3,233,0,3,3,4,17,,,0,0,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,1,0
"SELENOCYANIC ACID, 2-NITROPHENYL ESTER",051694-22-5,103931,(2-nitrophenyl) selenocyanate,C1=CC=C(C(=C1)[N+](=O)[O-])[Se]C#N,InChI=1S/C7H4N2O2Se/c8-5-12-7-4-2-1-3-6(7)9(10)11/h1-4H,LHBLJWULWKQRON-UHFFFAOYSA-N,C7H4N2O2Se,227.09,227.9438,,69.6,217,0,0,3,1,12,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"3,4-DIMETHYLMETHCATHINONE",1081772-06-6,52988260,"1-(3,4-dimethylphenyl)-2-(methylamino)propan-1-one;hydrochloride",CC1=C(C=C(C=C1)C(=O)C(C)NC)C.Cl,"InChI=1S/C12H17NO.ClH/c1-8-5-6-11(7-9(8)2)12(14)10(3)13-4;/h5-7,10,13H,1-4H3;1H",XTCDQRBKOHSIMB-UHFFFAOYSA-N,C12H18ClNO,227.73,227.1076919,,29.1,202,0,2,2,3,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"TRIBUTYL(2,4-DICHLOROBENZYL) PHOSPHONIUM CHLORIDE",000115-78-6,8286,"tributyl-[(2,4-dichlorophenyl)methyl]phosphanium chloride",CCCC[P+](CCCC)(CCCC)CC1=C(C=C(C=C1)Cl)Cl.[Cl-],"InChI=1S/C19H32Cl2P.ClH/c1-4-7-12-22(13-8-5-2,14-9-6-3)16-17-10-11-18(20)15-19(17)21;/h10-11,15H,4-9,12-14,16H2,1-3H3;1H/q+1;/p-1",IVHVNMLJNASKHW-UHFFFAOYSA-M,C19H32Cl3P,397.8,396.130721,,0,261,0,0,1,11,23,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-ALLYLPHENOL,001745-81-9,15624,2-prop-2-enylphenol,C=CCC1=CC=CC=C1O,"InChI=1S/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7,10H,1,5H2",QIRNGVVZBINFMX-UHFFFAOYSA-N,C9H10O,134.17,134.0731649,2.7,20.2,109,0,1,1,2,10,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
4-ETHYLANILINE,000589-16-2,11504,4-ethylaniline,CCC1=CC=C(C=C1)N,"InChI=1S/C8H11N/c1-2-7-3-5-8(9)6-4-7/h3-6H,2,9H2,1H3",HRXZRAXKKNUKRF-UHFFFAOYSA-N,C8H11N,121.18,121.0891494,2,26,72,0,1,1,1,9,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"BENZENE-1,3,5-TRICARBONITRILE",010365-94-3,82587,"benzene-1,3,5-tricarbonitrile",C1=C(C=C(C=C1C#N)C#N)C#N,InChI=1S/C9H3N3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3H,SGLGUTWNGVJXPP-UHFFFAOYSA-N,C9H3N3,153.14,153.0326971,1.1,71.4,240,0,0,3,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHENOL, POTASSIUM SALT",000100-67-4,23670670,potassium phenoxide,C1=CC=C(C=C1)[O-].[K+],"InChI=1S/C6H6O.K/c7-6-4-2-1-3-5-6;/h1-5,7H;/q;+1/p-1",ZGJADVGJIVEEGF-UHFFFAOYSA-M,C6H5KO,132.2,131.9977463,,23.1,50,0,0,1,0,8,,,0,1,1,1,0,0,1,1,0,0,1,0,0,0,0,0,1,0,1,0
"1,4-BENZENEDIAMINE, N4,N4-DIETHYL-2-METHYL-",000148-71-0,67364,"4-N,4-N-diethyl-2-methylbenzene-1,4-diamine",CCN(CC)C1=CC(=C(C=C1)N)C,"InChI=1S/C11H18N2/c1-4-13(5-2)10-6-7-11(12)9(3)8-10/h6-8H,4-5,12H2,1-3H3",XBTWVJKPQPQTDW-UHFFFAOYSA-N,C11H18N2,178.27,178.1469986,2.1,29.3,143,0,1,2,3,13,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
PHENOL-1-13C,,12205416,(113C)cyclohexatrienol,C1=CC=[13C](C=C1)O,"InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H/i6+1",ISWSIDIOOBJBQZ-PTQBSOBMSA-N,C6H6O,95.1,95.04521965,1.5,20.2,46,0,1,1,0,7,,,0,1,1,1,0,0,1,1,0,0,1,0,0,0,0,0,1,0,1,0
"BENZENAMINE, 2,3-DICHLORO-",000608-27-5,11844,"2,3-dichloroaniline",C1=CC(=C(C(=C1)Cl)Cl)N,"InChI=1S/C6H5Cl2N/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2",BRPSAOUFIJSKOT-UHFFFAOYSA-N,C6H5Cl2N,162.01,160.9799046,2.9,26,97,0,1,1,0,9,>112 °C (closed cup),252 °C,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,1,0
"N,N-DIMETHYL-P-PHENYLENEDIAMINE",000099-98-9,7472,"4-N,4-N-dimethylbenzene-1,4-diamine",CN(C)C1=CC=C(C=C1)N,"InChI=1S/C8H12N2/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3",BZORFPDSXLZWJF-UHFFFAOYSA-N,C8H12N2,136.19,136.1000484,1.8,29.3,93,0,1,2,1,10,"195 °F (NTP, 1992)","504 °F at 760 mmHg (EPA, 1998)",0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenethylamine, p-methoxy-alpha-methyl-, hydrochloride",003706-26-1,135236,1-(4-methoxyphenyl)propan-2-amine;hydrochloride,CC(CC1=CC=C(C=C1)OC)N.Cl,"InChI=1S/C10H15NO.ClH/c1-8(11)7-9-3-5-10(12-2)6-4-9;/h3-6,8H,7,11H2,1-2H3;1H",VSHZXOLHFRVZND-UHFFFAOYSA-N,C10H16ClNO,201.69,201.0920418,,35.3,119,0,2,2,3,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
NITROBENZENE,000098-95-3,7416,nitrobenzene,C1=CC=C(C=C1)[N+](=O)[O-],InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H,LQNUZADURLCDLV-UHFFFAOYSA-N,C6H5NO2,123.11,123.0320284,1.9,45.8,102,0,0,2,0,9,"190.4 °F (EPA, 1998)","411.4 °F at 760 mmHg (EPA, 1998)",0,1,1,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"N,N-DIMETHYLANILINE",000121-69-7,949,"N,N-dimethylaniline",CN(C)C1=CC=CC=C1,"InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3",JLTDJTHDQAWBAV-UHFFFAOYSA-N,C8H11N,121.18,121.0891494,2.3,3.2,72,0,0,1,1,9,"145 °F (NTP, 1992)","381 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
M-NITROANILINE,000099-09-2,7423,3-nitroaniline,C1=CC(=CC(=C1)[N+](=O)[O-])N,"InChI=1S/C6H6N2O2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H,7H2",XJCVRTZCHMZPBD-UHFFFAOYSA-N,C6H6N2O2,138.12,138.0429274,1.4,71.8,132,0,1,3,0,10,199 °C,"581 to 585 °F at 760 mmHg (decomposes) (NTP, 1992)",0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
P-NITROCHLOROBENZENE,000100-00-5,7474,1-chloro-4-nitrobenzene,C1=CC(=CC=C1[N+](=O)[O-])Cl,InChI=1S/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,CZGCEKJOLUNIFY-UHFFFAOYSA-N,C6H4ClNO2,157.55,156.9930561,2.4,45.8,126,0,0,2,0,10,"230 °F (NTP, 1992)","468 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,1,1,0,0,0,1,0,0,0,0,0,0,0,1,0
"2,4,6-TRIMETHYLANILINE",000088-05-1,6913,"2,4,6-trimethylaniline",CC1=CC(=C(C(=C1)C)N)C,"InChI=1S/C9H13N/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,10H2,1-3H3",KWVPRPSXBZNOHS-UHFFFAOYSA-N,C9H13N,135.21,135.1047994,2.3,26,99,0,1,1,0,10,,"450 to 451 °F at 760 mmHg (EPA, 1998)",0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"3,4-DINITROTOLUENE",000610-39-9,11883,"4-methyl-1,2-dinitrobenzene",CC1=CC(=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3",INYDMNPNDHRJQJ-UHFFFAOYSA-N,C7H6N2O4,182.13,182.0327567,2.1,91.6,220,0,0,4,0,13,"404 °F (est.) (USCG, 1999)",336.9 °C /extrapolated/,0,1,1,1,0,1,1,0,0,0,1,0,0,1,0,0,0,0,1,0
O-CHLOROBENZYLIDENE MALONONITRILE,002698-41-1,17604,2-[(2-chlorophenyl)methylidene]propanedinitrile,C1=CC=C(C(=C1)C=C(C#N)C#N)Cl,InChI=1S/C10H5ClN2/c11-10-4-2-1-3-9(10)5-8(6-12)7-13/h1-5H,JJNZXLAFIPKXIG-UHFFFAOYSA-N,C10H5ClN2,188.61,188.0141259,2.3,47.6,283,0,0,2,1,13,,"590 to 599 °F at 760 mmHg (NTP, 1992)",1,0,1,1,0,0,1,1,0,0,0,0,0,0,1,0,1,1,0,1
"PHENOL, 2-(1,1-DIMETHYLETHYL)-4,6-DIMETHYL-",001879-09-0,15884,"2-tert-butyl-4,6-dimethylphenol",CC1=CC(=C(C(=C1)C(C)(C)C)O)C,"InChI=1S/C12H18O/c1-8-6-9(2)11(13)10(7-8)12(3,4)5/h6-7,13H,1-5H3",OPLCSTZDXXUYDU-UHFFFAOYSA-N,C12H18O,178.27,178.1357652,4,20.2,168,0,1,1,1,13,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
"4-CHLORO-O-TOLUIDINE, HYDROCHLORIDE",003165-93-3,18487,4-chloro-2-methylaniline;hydrochloride,CC1=C(C=CC(=C1)Cl)N.Cl,"InChI=1S/C7H8ClN.ClH/c1-5-4-6(8)2-3-7(5)9;/h2-4H,9H2,1H3;1H",VKYZDCTWJGBFDW-UHFFFAOYSA-N,C7H9Cl2N,178.06,177.0112047,,26,94,0,2,1,0,10,,,1,1,1,1,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0
"2,3-DINITROTOLUENE",000602-01-7,11761,"1-methyl-2,3-dinitrobenzene",CC1=C(C(=CC=C1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C7H6N2O4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3",DYSXLQBUUOPLBB-UHFFFAOYSA-N,C7H6N2O4,182.13,182.0327567,1.9,91.6,220,0,0,4,0,13,"404 °F (NIOSH, 2024)","482 °F at 760 mmHg (NTP, 1992)",1,1,1,1,0,1,1,0,0,0,1,0,0,1,0,0,0,0,1,0
"2,4-XYLENOL",000105-67-9,7771,"2,4-dimethylphenol",CC1=CC(=C(C=C1)O)C,"InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3",KUFFULVDNCHOFZ-UHFFFAOYSA-N,C8H10O,122.16,122.0731649,2.3,20.2,90,0,1,1,0,9,"greater than 235 °F (NTP, 1992)","414 °F at 766 mmHg (NTP, 1992)",0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENEPROPANAL, 4-(1,1-DIMETHYLETHYL)-",018127-01-0,64832,3-(4-tert-butylphenyl)propanal,CC(C)(C)C1=CC=C(C=C1)CCC=O,"InChI=1S/C13H18O/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14/h6-10H,4-5H2,1-3H3",FZJUFJKVIYFBSY-UHFFFAOYSA-N,C13H18O,190.28,190.1357652,3.3,17.1,170,0,0,1,4,14,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,1,1,1,0
O-NITROANILINE,000088-74-4,6946,2-nitroaniline,C1=CC=C(C(=C1)N)[N+](=O)[O-],"InChI=1S/C6H6N2O2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H,7H2",DPJCXCZTLWNFOH-UHFFFAOYSA-N,C6H6N2O2,138.12,138.0429274,1.9,71.8,132,0,1,3,0,10,"335 °F (NTP, 1992)","543 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
BENZENESULFONYL CHLORIDE,000098-09-9,7369,benzenesulfonyl chloride,C1=CC=C(C=C1)S(=O)(=O)Cl,"InChI=1S/C6H5ClO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H",CSKNSYBAZOQPLR-UHFFFAOYSA-N,C6H5ClO2S,176.62,175.9698783,1.3,42.5,186,0,0,2,1,10,"greater than 233.6 °F (USCG, 1999)","484.7 °F at 760 mmHg (USCG, 1999)",0,0,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,0
P-CRESIDINE,000120-71-8,8445,2-methoxy-5-methylaniline,CC1=CC(=C(C=C1)OC)N,"InChI=1S/C8H11NO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,9H2,1-2H3",WXWCDTXEKCVRRO-UHFFFAOYSA-N,C8H11NO,137.18,137.084064,1.7,35.3,105,0,1,2,1,10,"greater than 230 °F (NTP, 1992)","455 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BENZYLTRIBUTYLAMMONIUM CHLORIDE,023616-79-7,159952,benzyl(tributyl)azanium chloride,CCCC[N+](CCCC)(CCCC)CC1=CC=CC=C1.[Cl-],"InChI=1S/C19H34N.ClH/c1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19;/h10-14H,4-9,15-18H2,1-3H3;1H/q+1;/p-1",VJGNLOIQCWLBJR-UHFFFAOYSA-M,C19H34ClN,311.9,311.2379778,,0,196,0,0,1,11,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TEREPHTHALALDEHYDE,000623-27-8,12173,terephthalaldehyde,C1=CC(=CC=C1C=O)C=O,InChI=1S/C8H6O2/c9-5-7-1-2-8(6-10)4-3-7/h1-6H,KUCOHFSKRZZVRO-UHFFFAOYSA-N,C8H6O2,134.13,134.0367794,0.9,34.1,107,0,0,2,2,10,76 °C (169 °F) - closed cup,246 °C,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-ACETOXYSTYRENE,002628-16-2,75821,(4-ethenylphenyl) acetate,CC(=O)OC1=CC=C(C=C1)C=C,"InChI=1S/C10H10O2/c1-3-9-4-6-10(7-5-9)12-8(2)11/h3-7H,1H2,2H3",JAMNSIXSLVPNLC-UHFFFAOYSA-N,C10H10O2,162.18,162.0680796,2.5,26.3,167,0,0,2,3,12,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,1,1
2-ETHYLANILINE,000578-54-1,11357,2-ethylaniline,CCC1=CC=CC=C1N,"InChI=1S/C8H11N/c1-2-7-5-3-4-6-8(7)9/h3-6H,2,9H2,1H3",MLPVBIWIRCKMJV-UHFFFAOYSA-N,C8H11N,121.18,121.0891494,1.7,26,80,0,1,1,1,9,"185 °F (NFPA, 2010)",209.65 °C,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,0
3-METHYLSALICYLIC ACID,000083-40-9,6738,2-hydroxy-3-methylbenzoic acid,CC1=C(C(=CC=C1)C(=O)O)O,"InChI=1S/C8H8O3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3,(H,10,11)",WHSXTWFYRGOBGO-UHFFFAOYSA-N,C8H8O3,152.15,152.0473441,2.9,57.5,155,0,2,3,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DICHLOROPROP ACID,000120-36-5,8427,"2-(2,4-dichlorophenoxy)propanoic acid",CC(C(=O)O)OC1=C(C=C(C=C1)Cl)Cl,"InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)",MZHCENGPTKEIGP-UHFFFAOYSA-N,C9H8Cl2O3,235.06,233.9850495,3.4,46.5,210,0,1,3,3,14,204 °C o.c.,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
5-FLUORO-2-METHYLANILINE,000367-29-3,67774,5-fluoro-2-methylaniline,CC1=C(C=C(C=C1)F)N,"InChI=1S/C7H8FN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3",JLCDTNNLXUMYFQ-UHFFFAOYSA-N,C7H8FN,125.14,125.0640774,0.9,26,94,0,1,2,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
4-METHYL-3-NITROPHENOL,002042-14-0,16271,4-methyl-3-nitrophenol,CC1=C(C=C(C=C1)O)[N+](=O)[O-],"InChI=1S/C7H7NO3/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4,9H,1H3",BQEXDUKMTVYBRK-UHFFFAOYSA-N,C7H7NO3,153.14,153.0425931,2.1,66.1,154,0,1,3,0,11,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"ALPHA, ALPHA'-DICHLORO-O-XYLENE",000612-12-4,11919,"1,2-bis(chloromethyl)benzene",C1=CC=C(C(=C1)CCl)CCl,"InChI=1S/C8H8Cl2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5-6H2",FMGGHNGKHRCJLL-UHFFFAOYSA-N,C8H8Cl2,175.05,174.0003056,2.7,0,81,0,0,0,2,10,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,1
CHLOROHYDROQUINONE,000615-67-8,301,"2-chlorobenzene-1,4-diol",C1=CC(=C(C=C1O)Cl)O,"InChI=1S/C6H5ClO2/c7-5-3-4(8)1-2-6(5)9/h1-3,8-9H",AJPXTSMULZANCB-UHFFFAOYSA-N,C6H5ClO2,144.55,143.9978071,1.4,40.5,97,0,2,2,0,9,,263 °C,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
2-NITROBENZONITRILE,000612-24-8,11922,2-nitrobenzonitrile,C1=CC=C(C(=C1)C#N)[N+](=O)[O-],InChI=1S/C7H4N2O2/c8-5-6-3-1-2-4-7(6)9(10)11/h1-4H,SWBDKCMOLSUXRH-UHFFFAOYSA-N,C7H4N2O2,148.12,148.0272774,1,69.6,200,0,0,3,0,11,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BENZYLAMINE HYDROCHLORIDE,003287-99-8,2724127,phenylmethanamine;hydrochloride,C1=CC=C(C=C1)CN.Cl,"InChI=1S/C7H9N.ClH/c8-6-7-4-2-1-3-5-7;/h1-5H,6,8H2;1H",XKXHCNPAFAXVRZ-UHFFFAOYSA-N,C7H10ClN,143.61,143.050177,,26,55,0,2,1,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-BENZENEDITHIOL",000626-04-0,522062,"benzene-1,3-dithiol",C1=CC(=CC(=C1)S)S,"InChI=1S/C6H6S2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H",ZWOASCVFHSYHOB-UHFFFAOYSA-N,C6H6S2,142.2,141.9910925,2.2,2,64,0,2,2,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
P-CHLOROPHENYL METHYL SULFOXIDE,000934-73-6,13626,1-chloro-4-methylsulfinylbenzene,CS(=O)C1=CC=C(C=C1)Cl,"InChI=1S/C7H7ClOS/c1-10(9)7-4-2-6(8)3-5-7/h2-5H,1H3",UBDUBBTYCRJUHW-UHFFFAOYSA-N,C7H7ClOS,174.65,173.9906137,1.7,36.3,130,0,0,2,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
CHLORAMINE T HYDRATE,000127-65-1,3641960,sodium chloro-(4-methylphenyl)sulfonylazanide,CC1=CC=C(C=C1)S(=O)(=O)[N-]Cl.[Na+],"InChI=1S/C7H7ClNO2S.Na/c1-6-2-4-7(5-3-6)12(10,11)9-8;/h2-5H,1H3;/q-1;+1",VDQQXEISLMTGAB-UHFFFAOYSA-N,C7H7ClNNaO2S,227.64,226.9783716,,43.5,231,0,0,3,1,13,192 °C c.c. (trihydrate),,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0
"1,4-PHENYLENE DIISOCYANATE",000104-49-4,61009,"1,4-diisocyanatobenzene",C1=CC(=CC=C1N=C=O)N=C=O,InChI=1S/C8H4N2O2/c11-5-9-7-1-2-8(4-3-7)10-6-12/h1-4H,ALQLPWJFHRMHIU-UHFFFAOYSA-N,C8H4N2O2,160.13,160.0272774,3.5,58.9,205,0,0,4,2,12,"greater than 210 °F (NTP, 1992)","500 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,1,1,0,0,0,0,0,0,1,0,1,1,0,1
PHENYLPHOSPHINIC ACID,001779-48-2,72903,phenylphosphonous acid,C1=CC=C(C=C1)P(O)O,"InChI=1S/C6H7O2P/c7-9(8)6-4-2-1-3-5-6/h1-5,7-8H",CGNKSELPNJJTSM-UHFFFAOYSA-N,C6H7O2P,142.09,142.0183665,0.5,40.5,79,0,2,2,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
NITRO-15N-BENZENE,003681-79-6,12210406,[oxido(oxo)(15N)(15N)azaniumyl]benzene,C1=CC=C(C=C1)[15N+](=O)[O-],InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H/i7+1,LQNUZADURLCDLV-CDYZYAPPSA-N,C6H5NO2,124.1,124.0290633,1.9,45.8,102,0,0,2,0,9,,,0,0,1,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,0
4-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE,001645-65-4,137134,1-isothiocyanato-4-(trifluoromethyl)benzene,C1=CC(=CC=C1C(F)(F)F)N=C=S,"InChI=1S/C8H4F3NS/c9-8(10,11)6-1-3-7(4-2-6)12-5-13/h1-4H",DQEVDFQAYLIBRD-UHFFFAOYSA-N,C8H4F3NS,203.19,203.0016548,4.4,44.5,212,0,0,5,1,13,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0
4-IODOPHENYL ISOCYANATE,015845-62-2,3399787,1-iodo-4-isocyanatobenzene,C1=CC(=CC=C1N=C=O)I,InChI=1S/C7H4INO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H,KVMKUTIUJGYHBA-UHFFFAOYSA-N,C7H4INO,245.02,244.93376,3.6,29.4,146,0,0,2,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"ALPHA,ALPHA,ALPHA-TRIFLUORO-P-TOLYL ISOCYANATE",001548-13-6,73768,1-isocyanato-4-(trifluoromethyl)benzene,C1=CC(=CC=C1C(F)(F)F)N=C=O,"InChI=1S/C8H4F3NO/c9-8(10,11)6-1-3-7(4-2-6)12-5-13/h1-4H",QZTWVDCKDWZCLV-UHFFFAOYSA-N,C8H4F3NO,187.12,187.0244982,3.6,29.4,212,0,0,5,1,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
2-HYDROXYPHENETHYL ALCOHOL,007768-28-7,82200,2-(2-hydroxyethyl)phenol,C1=CC=C(C(=C1)CCO)O,"InChI=1S/C8H10O2/c9-6-5-7-3-1-2-4-8(7)10/h1-4,9-10H,5-6H2",ABFCOJLLBHXNOU-UHFFFAOYSA-N,C8H10O2,138.16,138.0680796,1.2,40.5,93,0,2,2,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
3-AMINOBENZENETHIOL,022948-02-3,31577,3-aminobenzenethiol,C1=CC(=CC(=C1)S)N,"InChI=1S/C6H7NS/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2",KFFUEVDMVNIOHA-UHFFFAOYSA-N,C6H7NS,125.19,125.0299204,0.5,27,74,0,2,2,0,8,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
2-ACETOXYBENZOYL CHLORIDE,005538-51-2,79668,(2-carbonochloridoylphenyl) acetate,CC(=O)OC1=CC=CC=C1C(=O)Cl,"InChI=1S/C9H7ClO3/c1-6(11)13-8-5-3-2-4-7(8)9(10)12/h2-5H,1H3",DSGKWFGEUBCEIE-UHFFFAOYSA-N,C9H7ClO3,198.6,198.0083718,2.2,43.4,215,0,0,3,3,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
2-CHLORO-5-FLUOROPHENOL,003827-49-4,2724522,2-chloro-5-fluorophenol,C1=CC(=C(C=C1F)O)Cl,"InChI=1S/C6H4ClFO/c7-5-2-1-4(8)3-6(5)9/h1-3,9H",CMQOZIKIOASEIN-UHFFFAOYSA-N,C6H4ClFO,146.54,145.9934706,2.5,20.2,99,0,1,2,0,9,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-BIS(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE",023165-29-9,2733395,"1-isothiocyanato-3,5-bis(trifluoromethyl)benzene",C1=C(C=C(C=C1C(F)(F)F)N=C=S)C(F)(F)F,"InChI=1S/C9H3F6NS/c10-8(11,12)5-1-6(9(13,14)15)3-7(2-5)16-4-17/h1-3H",FXOSSGVJGGNASE-UHFFFAOYSA-N,C9H3F6NS,271.18,270.9890393,5.7,44.5,294,0,0,8,1,17,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONAMIDE, N-[(BUTYLAMINO)CARBONYL]-4-METHYL-",000064-77-7,5505,1-butyl-3-(4-methylphenyl)sulfonylurea,CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C,"InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)",JLRGJRBPOGGCBT-UHFFFAOYSA-N,C12H18N2O3S,270.35,270.1038136,2.3,83.7,354,0,2,3,5,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,1
"BENZENEMETHANAMINE, 2-CHLORO-",000089-97-4,66648,(2-chlorophenyl)methanamine,C1=CC=C(C(=C1)CN)Cl,"InChI=1S/C7H8ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H,5,9H2",KDDNKZCVYQDGKE-UHFFFAOYSA-N,C7H8ClN,141.6,141.034527,1.4,26,85,0,1,1,1,9,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONIC ACID, 4-HYDRAZINO-",000098-71-5,66825,4-hydrazinylbenzenesulfonic acid,C1=CC(=CC=C1NN)S(=O)(=O)O,"InChI=1S/C6H8N2O3S/c7-8-5-1-3-6(4-2-5)12(9,10)11/h1-4,8H,7H2,(H,9,10,11)",IOMZCWUHFGMSEJ-UHFFFAOYSA-N,C6H8N2O3S,188.21,188.0255633,-2.4,101,226,0,3,5,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 2,4-BIS(1,1-DIMETHYLPROPYL)-",000120-95-6,8455,"2,4-bis(2-methylbutan-2-yl)phenol",CCC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)CC,"InChI=1S/C16H26O/c1-7-15(3,4)12-9-10-14(17)13(11-12)16(5,6)8-2/h9-11,17H,7-8H2,1-6H3",WMVJWKURWRGJCI-UHFFFAOYSA-N,C16H26O,234.38,234.1983654,6,20.2,242,0,1,1,4,17,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHENOL, 2,4,5-TRIMETHYL-",000496-78-6,10335,"2,4,5-trimethylphenol",CC1=CC(=C(C=C1C)O)C,"InChI=1S/C9H12O/c1-6-4-8(3)9(10)5-7(6)2/h4-5,10H,1-3H3",VXSCPERJHPWROZ-UHFFFAOYSA-N,C9H12O,136.19,136.088815,2.7,20.2,111,0,1,1,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"1,4-BENZENEDIOL, 2,6-DIMETHYL-",000654-42-2,69560,"2,6-dimethylbenzene-1,4-diol",CC1=CC(=CC(=C1O)C)O,"InChI=1S/C8H10O2/c1-5-3-7(9)4-6(2)8(5)10/h3-4,9-10H,1-2H3",SGWZVZZVXOJRAQ-UHFFFAOYSA-N,C8H10O2,138.16,138.0680796,1,40.5,102,0,2,2,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0
"BORON, (BENZENEMETHANAMINE)TRIFLUORO-, (T-4)-",000696-99-1,101841,phenylmethanamine;trifluoroborane,B(F)(F)F.C1=CC=C(C=C1)CN,"InChI=1S/C7H9N.BF3/c8-6-7-4-2-1-3-5-7;2-1(3)4/h1-5H,6,8H2;",YRZFHTRSHNGOSR-UHFFFAOYSA-N,C7H9BF3N,174.96,175.0780139,,26,63,0,1,4,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, (1-METHOXY-1-METHYLETHYL)-",000935-67-1,70289,2-methoxypropan-2-ylbenzene,CC(C)(C1=CC=CC=C1)OC,"InChI=1S/C10H14O/c1-10(2,11-3)9-7-5-4-6-8-9/h4-8H,1-3H3",MRFQFQYRTNGOCZ-UHFFFAOYSA-N,C10H14O,150.22,150.1044651,3.1,9.2,112,0,0,1,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, DODECYL-, AMMONIUM SALT",001331-61-9,21881409,azanium 2-dodecylbenzenesulfonate,CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[NH4+],"InChI=1S/C18H30O3S.H3N/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);1H3",ZLWPAELISNYYGM-UHFFFAOYSA-N,C18H33NO3S,343.5,343.2181151,,66.6,346,0,1,3,11,23,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, 1-METHOXY-4-(METHOXYMETHYL)-",001515-81-7,73689,1-methoxy-4-(methoxymethyl)benzene,COCC1=CC=C(C=C1)OC,"InChI=1S/C9H12O2/c1-10-7-8-3-5-9(11-2)6-4-8/h3-6H,7H2,1-2H3",RSOYRXBYZFBWFS-UHFFFAOYSA-N,C9H12O2,152.19,152.0837296,1.6,18.5,95,0,0,2,3,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEMETHANAMINE, N-PROPYL-",002032-33-9,74850,N-benzylpropan-1-amine,CCCNCC1=CC=CC=C1,"InChI=1S/C10H15N/c1-2-8-11-9-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3",OUMBFMLKPJUWDQ-UHFFFAOYSA-N,C10H15N,149.23,149.1204495,2.4,12,84,0,1,1,4,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, N-(3-ISOTHIOCYANATOPHENYL)-",003137-83-5,18444,N-(3-isothiocyanatophenyl)acetamide,CC(=O)NC1=CC(=CC=C1)N=C=S,"InChI=1S/C9H8N2OS/c1-7(12)11-9-4-2-3-8(5-9)10-6-13/h2-5H,1H3,(H,11,12)",HLWVGQKSSIHUAX-UHFFFAOYSA-N,C9H8N2OS,192.24,192.0357341,3,73.6,236,0,1,3,2,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"PHENOL, 2-(1,1-DIMETHYLPROPYL)-",003279-27-4,76769,2-(2-methylbutan-2-yl)phenol,CCC(C)(C)C1=CC=CC=C1O,"InChI=1S/C11H16O/c1-4-11(2,3)9-7-5-6-8-10(9)12/h5-8,12H,4H2,1-3H3",BGRKGHSKCFAPCL-UHFFFAOYSA-N,C11H16O,164.24,164.1201151,3.9,20.2,140,0,1,1,2,12,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZOYL CHLORIDE, 3-(CHLOROSULFONYL)-",004052-92-0,77671,3-chlorosulfonylbenzoyl chloride,C1=CC(=CC(=C1)S(=O)(=O)Cl)C(=O)Cl,"InChI=1S/C7H4Cl2O3S/c8-7(10)5-2-1-3-6(4-5)13(9,11)12/h1-4H",XWEBTVZIZWEJOO-UHFFFAOYSA-N,C7H4Cl2O3S,239.07,237.9258205,2.4,59.6,293,0,0,3,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Veratrylamine-,005763-61-1,79832,"(3,4-dimethoxyphenyl)methanamine",COC1=C(C=C(C=C1)CN)OC,"InChI=1S/C9H13NO2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,6,10H2,1-2H3",DIVNUTGTTIRPQA-UHFFFAOYSA-N,C9H13NO2,167.2,167.0946287,0.4,44.5,130,0,1,3,3,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONYL CHLORIDE, 5-(ACETYLAMINO)-2-METHOXY-",005804-73-9,79866,5-acetamido-2-methoxybenzenesulfonyl chloride,CC(=O)NC1=CC(=C(C=C1)OC)S(=O)(=O)Cl,"InChI=1S/C9H10ClNO4S/c1-6(12)11-7-3-4-8(15-2)9(5-7)16(10,13)14/h3-5H,1-2H3,(H,11,12)",VWKRNDWDKNOMAD-UHFFFAOYSA-N,C9H10ClNO4S,263.7,263.0019067,1.2,80.9,351,0,1,4,3,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONIC ACID, 5-AMINO-2,4-DIMETHYL-",006370-23-6,80735,"5-amino-2,4-dimethylbenzenesulfonic acid",CC1=CC(=C(C=C1N)S(=O)(=O)O)C,"InChI=1S/C8H11NO3S/c1-5-3-6(2)8(4-7(5)9)13(10,11)12/h3-4H,9H2,1-2H3,(H,10,11,12)",NTPCHAXHWPDMEI-UHFFFAOYSA-N,C8H11NO3S,201.25,201.0459644,0.7,88.8,270,0,2,4,1,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENEACETALDEHYDE, 2-METHYL-",010166-08-2,66286,2-(2-methylphenyl)acetaldehyde,CC1=CC=CC=C1CC=O,"InChI=1S/C9H10O/c1-8-4-2-3-5-9(8)6-7-10/h2-5,7H,6H2,1H3",ACHWKVVBZRANAV-UHFFFAOYSA-N,C9H10O,134.17,134.0731649,1.9,17.1,109,0,0,1,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
(+)- 2-((4-CHLORO-O-TOLYL)OXY)-PROPIONIC ACID,016484-77-8,185588,(2R)-2-(4-chloro-2-methylphenoxy)propanoic acid,CC1=C(C=CC(=C1)Cl)O[C@H](C)C(=O)O,"InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)/t7-/m1/s1",WNTGYJSOUMFZEP-SSDOTTSWSA-N,C10H11ClO3,214.64,214.0396719,3.1,46.5,208,0,1,3,3,14,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
4-AMINO-3-CHLOROPHENOL,017609-80-2,87184,4-amino-3-chlorophenol,C1=CC(=C(C=C1O)Cl)N,"InChI=1S/C6H6ClNO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H,8H2",PNLPXABQLXSICH-UHFFFAOYSA-N,C6H6ClNO,143.57,143.0137915,1.9,46.3,99,0,2,2,0,9,,,1,1,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"BENZAMIDE, 3-AMINO-4-METHYL-",019406-86-1,88043,3-amino-4-methylbenzamide,CC1=C(C=C(C=C1)C(=O)N)N,"InChI=1S/C8H10N2O/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,9H2,1H3,(H2,10,11)",VYBKAZXQKUFAHG-UHFFFAOYSA-N,C8H10N2O,150.18,150.0793129,-0.3,69.1,158,0,2,2,1,11,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 3-PENTYL-",020056-66-0,88345,3-pentylphenol,CCCCCC1=CC(=CC=C1)O,"InChI=1S/C11H16O/c1-2-3-4-6-10-7-5-8-11(12)9-10/h5,7-9,12H,2-4,6H2,1H3",LWZQGUMHXPGQAF-UHFFFAOYSA-N,C11H16O,164.24,164.1201151,4,20.2,112,0,1,1,4,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZONITRILE, 3-(BROMOMETHYL)-",028188-41-2,97249,3-(bromomethyl)benzonitrile,C1=CC(=CC(=C1)C#N)CBr,"InChI=1S/C8H6BrN/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5H2",CVKOOKPNCVYHNY-UHFFFAOYSA-N,C8H6BrN,196.04,194.96836,2.3,23.8,147,0,0,1,1,10,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"2,4-DICHLOROPHENOXYACETIC ACID, TRIISOPROPANOLAMINE SALT",032341-80-3,62724,"1-[bis(2-hydroxypropyl)amino]propan-2-ol;2-(2,4-dichlorophenoxy)acetic acid",CC(CN(CC(C)O)CC(C)O)O.C1=CC(=C(C=C1Cl)Cl)OCC(=O)O,"InChI=1S/C9H21NO3.C8H6Cl2O3/c1-7(11)4-10(5-8(2)12)6-9(3)13;9-5-1-2-7(6(10)3-5)13-4-8(11)12/h7-9,11-13H,4-6H2,1-3H3;1-3H,4H2,(H,11,12)",SRPJGPPDQIFOGY-UHFFFAOYSA-N,C17H27Cl2NO6,412.3,411.121543,,110,294,0,4,7,9,26,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"BENZOIC ACID, 2-CHLORO-4-HYDROXY-",056363-84-9,91821,2-chloro-4-hydroxybenzoic acid,C1=CC(=C(C=C1O)Cl)C(=O)O,"InChI=1S/C7H5ClO3/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3,9H,(H,10,11)",WIPYZRZPNMUSER-UHFFFAOYSA-N,C7H5ClO3,172.56,171.9927217,1.8,57.5,160,0,2,3,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1,2-DICHLORO-4-(DICHLOROMETHYL)-",056961-84-3,92598,"1,2-dichloro-4-(dichloromethyl)benzene",C1=CC(=C(C=C1C(Cl)Cl)Cl)Cl,"InChI=1S/C7H4Cl4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,7H",LLPBAWYATBAOQG-UHFFFAOYSA-N,C7H4Cl4,229.9,229.903761,4.9,0,126,0,0,0,1,11,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEMETHANAMINIUM, N,N-DIMETHYL-N-[3-[(1-OXOOCTADECYL)AMINO]PROPYL]-, CHLOR",065694-10-2,3034712,benzyl-dimethyl-[3-(octadecanoylamino)propyl]azanium chloride,CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-],"InChI=1S/C30H54N2O.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-30(33)31-26-22-27-32(2,3)28-29-23-19-18-20-24-29;/h18-20,23-24H,4-17,21-22,25-28H2,1-3H3;1H",HLRGNDHZJRNZJH-UHFFFAOYSA-N,C30H55ClN2O,495.2,494.4002921,,29.1,443,0,1,2,22,34,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONIC ACID, 4-SEC-DODECYL-, SODIUM SALT",068628-60-4,23691965,sodium 4-dodecan-2-ylbenzenesulfonate,CCCCCCCCCCC(C)C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+],"InChI=1S/C18H30O3S.Na/c1-3-4-5-6-7-8-9-10-11-16(2)17-12-14-18(15-13-17)22(19,20)21;/h12-16H,3-11H2,1-2H3,(H,19,20,21);/q;+1/p-1",GHRHULTYHYEOQB-UHFFFAOYSA-M,C18H29NaO3S,348.5,348.1735102,,65.6,370,0,0,3,11,23,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
PENTEDRONE,879722-57-3,57501499,2-(methylamino)-1-phenylpentan-1-one,CCCC(C(=O)C1=CC=CC=C1)NC,"InChI=1S/C12H17NO/c1-3-7-11(13-2)12(14)10-8-5-4-6-9-10/h4-6,8-9,11,13H,3,7H2,1-2H3",WLIWIUNEJRETFX-UHFFFAOYSA-N,C12H17NO,191.27,191.1310142,2.5,29.1,173,0,1,2,5,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1
"2,4-DICHLOROPHENOXYACETIC ACID CHOLINE SALT",1048373-72-3,71714410,"2-(2,4-dichlorophenoxy)acetate;2-hydroxyethyl(trimethyl)azanium",C[N+](C)(C)CCO.C1=CC(=C(C=C1Cl)Cl)OCC(=O)[O-],"InChI=1S/C8H6Cl2O3.C5H14NO/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;1-6(2,3)4-5-7/h1-3H,4H2,(H,11,12);7H,4-5H2,1-3H3/q;+1/p-1",OXJISOJFVQITNG-UHFFFAOYSA-M,C13H19Cl2NO4,324.2,323.0691135,,69.6,227,0,1,4,4,20,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
(DIMETHYLAMINOMETHYL)PHENOL,025338-55-0,32895,4-[(dimethylamino)methyl]phenol,CN(C)CC1=CC=C(C=C1)O,"InChI=1S/C9H13NO/c1-10(2)7-8-3-5-9(11)6-4-8/h3-6,11H,7H2,1-2H3",NFVPEIKDMMISQO-UHFFFAOYSA-N,C9H13NO,151.21,151.099714,1,23.5,106,0,1,2,2,11,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONIC ACID, DECYL-, SODIUM SALT",001322-98-1,23707962,sodium 4-decan-3-ylbenzenesulfonate,CCCCCCCC(CC)C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+],"InChI=1S/C16H26O3S.Na/c1-3-5-6-7-8-9-14(4-2)15-10-12-16(13-11-15)20(17,18)19;/h10-14H,3-9H2,1-2H3,(H,17,18,19);/q;+1/p-1",RKYIBTYKESBLTH-UHFFFAOYSA-M,C16H25NaO3S,320.4,320.1422101,,65.6,343,0,0,3,9,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENEDIMETHANAMINE, N-(2-CYANOETHYL) DERIVS.",073050-11-0,431968,[2-(aminomethyl)phenyl]methanamine,C1=CC=C(C(=C1)CN)CN,"InChI=1S/C8H12N2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5-6,9-10H2",GKXVJHDEWHKBFH-UHFFFAOYSA-N,C8H12N2,136.19,136.1000484,-0.4,52,81,0,2,2,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
P-TOLYL ACETATE,000140-39-6,8797,(4-methylphenyl) acetate,CC1=CC=C(C=C1)OC(=O)C,"InChI=1S/C9H10O2/c1-7-3-5-9(6-4-7)11-8(2)10/h3-6H,1-2H3",CDJJKTLOZJAGIZ-UHFFFAOYSA-N,C9H10O2,150.17,150.0680796,2.1,26.3,134,0,0,2,2,11,,208.00 to 212.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
SALICYLALDOXIME,000094-67-7,135408751,2-[(E)-hydroxyiminomethyl]phenol,C1=CC=C(C(=C1)/C=N/O)O,"InChI=1S/C7H7NO2/c9-7-4-2-1-3-6(7)5-8-10/h1-5,9-10H/b8-5+",ORIHZIZPTZTNCU-VMPITWQZSA-N,C7H7NO2,137.14,137.0476785,1.5,52.8,125,0,2,3,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-AMINOBENZYL ALCOHOL,000623-04-1,69331,(4-aminophenyl)methanol,C1=CC(=CC=C1CO)N,"InChI=1S/C7H9NO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5,8H2",AXKGIPZJYUNAIW-UHFFFAOYSA-N,C7H9NO,123.15,123.0684139,-0.2,46.3,77,0,2,2,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-PROPYLPHENOL,000644-35-9,12570,2-propylphenol,CCCC1=CC=CC=C1O,"InChI=1S/C9H12O/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7,10H,2,5H2,1H3",LCHYEKKJCUJAKN-UHFFFAOYSA-N,C9H12O,136.19,136.088815,2.9,20.2,90,0,1,1,2,10,,224.00 to 226.00 °C. @ 760.00 mm Hg,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-ETHYL-6-ISOPROPYLANILINE,053443-93-9,104499,2-ethyl-6-propan-2-ylaniline,CCC1=C(C(=CC=C1)C(C)C)N,"InChI=1S/C11H17N/c1-4-9-6-5-7-10(8(2)3)11(9)12/h5-8H,4,12H2,1-3H3",OTZUSNPBNWUXCQ-UHFFFAOYSA-N,C11H17N,163.26,163.1360995,2.9,26,131,0,1,1,2,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DL-3-FLUOROPHENYLALANINE,002629-54-1,9976,2-amino-3-(3-fluorophenyl)propanoic acid,C1=CC(=CC(=C1)F)CC(C(=O)O)N,"InChI=1S/C9H10FNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)",VWHRYODZTDMVSS-UHFFFAOYSA-N,C9H10FNO2,183.18,183.0695567,-1.9,63.3,186,0,2,4,3,13,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
3'-AMINOACETOPHENONE,000099-03-6,7417,1-(3-aminophenyl)ethanone,CC(=O)C1=CC(=CC=C1)N,"InChI=1S/C8H9NO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,9H2,1H3",CKQHAYFOPRIUOM-UHFFFAOYSA-N,C8H9NO,135.16,135.0684139,1.2,43.1,133,0,1,2,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2,4-DIMETHYLBENZALDEHYDE",015764-16-6,61814,"2,4-dimethylbenzaldehyde",CC1=CC(=C(C=C1)C=O)C,"InChI=1S/C9H10O/c1-7-3-4-9(6-10)8(2)5-7/h3-6H,1-2H3",GISVICWQYMUPJF-UHFFFAOYSA-N,C9H10O,134.17,134.0731649,2.5,17.1,120,0,0,1,1,10,,102.50 to 103.00 °C. @ 14.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PSEUDOEPHEDRINE,000090-82-4,7028,"(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol",C[C@@H]([C@H](C1=CC=CC=C1)O)NC,"InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10+/m0/s1",KWGRBVOPPLSCSI-WCBMZHEXSA-N,C10H15NO,165.23,165.1153641,0.9,32.3,121,0,2,2,3,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"1,2-DIMETHOXY-4-NITROBENZENE",000709-09-1,69728,"1,2-dimethoxy-4-nitrobenzene",COC1=C(C=C(C=C1)[N+](=O)[O-])OC,"InChI=1S/C8H9NO4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3",YFWBUVZWCBFSQN-UHFFFAOYSA-N,C8H9NO4,183.16,183.0531578,2.1,64.3,179,0,0,4,2,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
3-METHYL-2-NITROPHENOL,004920-77-8,21026,3-methyl-2-nitrophenol,CC1=C(C(=CC=C1)O)[N+](=O)[O-],"InChI=1S/C7H7NO3/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4,9H,1H3",QIORDSKCCHRSSD-UHFFFAOYSA-N,C7H7NO3,153.14,153.0425931,2.3,66.1,154,0,1,3,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-METHYL-4-NITROPHENOL,002581-34-2,17412,3-methyl-4-nitrophenol,CC1=C(C=CC(=C1)O)[N+](=O)[O-],"InChI=1S/C7H7NO3/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4,9H,1H3",PIIZYNQECPTVEO-UHFFFAOYSA-N,C7H7NO3,153.14,153.0425931,2.5,66.1,154,0,1,3,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-METHYL-3-NITROBENZOIC ACID,000096-98-0,7319,4-methyl-3-nitrobenzoic acid,CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-],"InChI=1S/C8H7NO4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3,(H,10,11)",BBEWSMNRCUXQRF-UHFFFAOYSA-N,C8H7NO4,181.15,181.0375077,1.9,83.1,223,0,1,4,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-L-PHENYLALANYLGLYCINE,000721-90-4,98207,2-[(2-amino-3-phenylpropanoyl)amino]acetic acid,C1=CC=C(C=C1)CC(C(=O)NCC(=O)O)N,"InChI=1S/C11H14N2O3/c12-9(11(16)13-7-10(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)(H,14,15)",GLUBLISJVJFHQS-UHFFFAOYSA-N,C11H14N2O3,222.24,222.1004423,-2.5,92.4,250,0,3,4,5,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-AMINO-5-CHLOROBENZOTRIFLUORIDE,000445-03-4,67961,4-chloro-2-(trifluoromethyl)aniline,C1=CC(=C(C=C1Cl)C(F)(F)F)N,"InChI=1S/C7H5ClF3N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2",CVINWVPRKDIGLL-UHFFFAOYSA-N,C7H5ClF3N,195.57,195.0062613,2.1,26,159,0,1,4,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"2,4,6-TRIIODOPHENOL",000609-23-4,11862,"2,4,6-triiodophenol",C1=C(C=C(C(=C1I)O)I)I,"InChI=1S/C6H3I3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H",VAPDZNUFNKUROY-UHFFFAOYSA-N,C6H3I3O,471.8,471.7318,3.5,20.2,108,0,1,1,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-DIBROMOPHENOL",000608-33-3,11847,"2,6-dibromophenol",C1=CC(=C(C(=C1)Br)O)Br,"InChI=1S/C6H4Br2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H",SSIZLKDLDKIHEV-UHFFFAOYSA-N,C6H4Br2O,251.9,251.86084,3.4,20.2,87,0,1,1,0,9,,255 °C; 162 °C at 21 mm Hg,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(R)-(-)-PHENYLEPHRINE HYDROCHLORIDE,000061-76-7,5284443,3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride,CNC[C@@H](C1=CC(=CC=C1)O)O.Cl,"InChI=1S/C9H13NO2.ClH/c1-10-6-9(12)7-3-2-4-8(11)5-7;/h2-5,9-12H,6H2,1H3;1H/t9-;/m0./s1",OCYSGIYOVXAGKQ-FVGYRXGTSA-N,C9H14ClNO2,203.66,203.0713064,,52.5,130,0,4,3,3,13,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
METHOXYHYDROQUINONE,000824-46-4,69988,"2-methoxybenzene-1,4-diol",COC1=C(C=CC(=C1)O)O,"InChI=1S/C7H8O3/c1-10-7-4-5(8)2-3-6(7)9/h2-4,8-9H,1H3",LAQYHRQFABOIFD-UHFFFAOYSA-N,C7H8O3,140.14,140.0473441,0.5,49.7,105,0,2,3,1,10,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,1-DIMETHYL-3-(3-TRIFLUOROMETHYLPHENYL) UREA",002164-17-2,16562,"1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea",CN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F,"InChI=1S/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)",RZILCCPWPBTYDO-UHFFFAOYSA-N,C10H11F3N2O,232.2,232.0823475,2.4,32.3,253,0,1,4,1,16,,approx. 280 °C @ 760 mm Hg,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
4'-METHOXYACETOPHENONE,000100-06-1,7476,1-(4-methoxyphenyl)ethanone,CC(=O)C1=CC=C(C=C1)OC,"InChI=1S/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3",NTPLXRHDUXRPNE-UHFFFAOYSA-N,C9H10O2,150.17,150.0680796,1.7,26.3,134,0,0,2,2,11,138 °C (280 °F) - open cup,254 °C,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3,4-DIFLUOROBENZOIC ACID",000455-86-7,99166,"3,4-difluorobenzoic acid",C1=CC(=C(C=C1C(=O)O)F)F,"InChI=1S/C7H4F2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)",FPENCTDAQQQKNY-UHFFFAOYSA-N,C7H4F2O2,158.1,158.0179357,1.8,37.3,161,0,1,4,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BROMO-4-TERT-BUTYLBENZENE,003972-65-4,77595,1-bromo-4-tert-butylbenzene,CC(C)(C)C1=CC=C(C=C1)Br,"InChI=1S/C10H13Br/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H3",XHCAGOVGSDHHNP-UHFFFAOYSA-N,C10H13Br,213.11,212.02006,4.4,0,115,0,0,0,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-METHOXYBENZENETHIOL,000696-63-9,12765,4-methoxybenzenethiol,COC1=CC=C(C=C1)S,"InChI=1S/C7H8OS/c1-8-6-2-4-7(9)5-3-6/h2-5,9H,1H3",NIFAOMSJMGEFTQ-UHFFFAOYSA-N,C7H8OS,140.2,140.0295861,2.3,10.2,77,0,1,2,1,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NOREPINEPHRINE BITARTRATE,069815-49-2,53399078,"4-(2-amino-1-hydroxyethyl)benzene-1,2-diol;2,3-dihydroxybutanedioic acid;hydrate",C1=CC(=C(C=C1C(CN)O)O)O.C(C(C(=O)O)O)(C(=O)O)O.O,"InChI=1S/C8H11NO3.C4H6O6.H2O/c9-4-8(12)5-1-2-6(10)7(11)3-5;5-1(3(7)8)2(6)4(9)10;/h1-3,8,10-12H,4,9H2;1-2,5-6H,(H,7,8)(H,9,10);1H2",LNBCGLZYLJMGKP-UHFFFAOYSA-N,C12H19NO10,337.28,337.1008958,,203,276,0,9,11,5,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
3-METHYLCATECHOL,000488-17-5,340,"3-methylbenzene-1,2-diol",CC1=C(C(=CC=C1)O)O,"InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3",PGSWEKYNAOWQDF-UHFFFAOYSA-N,C7H8O2,124.14,124.0524295,1.8,40.5,92,0,2,2,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-(TERT-BUTOXYCARBONYL)-L-PHENYLALANINE,013734-34-4,77857,(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid,CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O,"InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m0/s1",ZYJPUMXJBDHSIF-NSHDSACASA-N,C14H19NO4,265.3,265.1314081,2.2,75.6,316,0,2,4,6,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-AMINO-3-METHYLBENZOIC ACID,004389-45-1,78101,2-amino-3-methylbenzoic acid,CC1=C(C(=CC=C1)C(=O)O)N,"InChI=1S/C8H9NO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,9H2,1H3,(H,10,11)",WNAJXPYVTFYEST-UHFFFAOYSA-N,C8H9NO2,151.16,151.0633285,2.5,63.3,158,0,2,3,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ALPHA,ALPHA,ALPHA-TRIFLUORO-P-TOLUALDEHYDE",000455-19-6,67996,4-(trifluoromethyl)benzaldehyde,C1=CC(=CC=C1C=O)C(F)(F)F,"InChI=1S/C8H5F3O/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-5H",BEOBZEOPTQQELP-UHFFFAOYSA-N,C8H5F3O,174.12,174.0292493,2.6,17.1,156,0,0,4,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-METHOXYBENZONITRILE,000874-90-8,70129,4-methoxybenzonitrile,COC1=CC=C(C=C1)C#N,"InChI=1S/C8H7NO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,1H3",XDJAAZYHCCRJOK-UHFFFAOYSA-N,C8H7NO,133.15,133.0527638,1.9,33,139,0,0,2,1,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-PHENYLBUTYRIC ACID,000090-27-7,7012,2-phenylbutanoic acid,CCC(C1=CC=CC=C1)C(=O)O,"InChI=1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)",OFJWFSNDPCAWDK-UHFFFAOYSA-N,C10H12O2,164.2,164.0837296,2.3,37.3,148,0,1,2,3,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ORTHO-ACETOACETANISIDIDE,000092-15-9,7078,N-(2-methoxyphenyl)-3-oxobutanamide,CC(=O)CC(=O)NC1=CC=CC=C1OC,"InChI=1S/C11H13NO3/c1-8(13)7-11(14)12-9-5-3-4-6-10(9)15-2/h3-6H,7H2,1-2H3,(H,12,14)",KYYRTDXOHQYZPO-UHFFFAOYSA-N,C11H13NO3,207.23,207.0895433,1.5,55.4,240,0,1,3,4,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
BENZOYLACETONITRILE,000614-16-4,64799,3-oxo-3-phenylpropanenitrile,C1=CC=C(C=C1)C(=O)CC#N,"InChI=1S/C9H7NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6H2",ZJRCIQAMTAINCB-UHFFFAOYSA-N,C9H7NO,145.16,145.0527638,1,40.9,183,0,0,2,2,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL GALLATE,000099-24-1,7428,"methyl 3,4,5-trihydroxybenzoate",COC(=O)C1=CC(=C(C(=C1)O)O)O,"InChI=1S/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H3",FBSFWRHWHYMIOG-UHFFFAOYSA-N,C8H8O5,184.15,184.0371734,0.9,87,181,0,3,5,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"3,4-DIHYDROXYBENZONITRILE",017345-61-8,87065,"3,4-dihydroxybenzonitrile",C1=CC(=C(C=C1C#N)O)O,"InChI=1S/C7H5NO2/c8-4-5-1-2-6(9)7(10)3-5/h1-3,9-10H",NUWHYWYSMAPBHK-UHFFFAOYSA-N,C7H5NO2,135.12,135.0320284,1.5,64.3,160,0,2,3,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GUAIACOL GLYCERYL ETHER,000093-14-1,3516,"3-(2-methoxyphenoxy)propane-1,2-diol",COC1=CC=CC=C1OCC(CO)O,"InChI=1S/C10H14O4/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3",HSRJKNPTNIJEKV-UHFFFAOYSA-N,C10H14O4,198.22,198.0892089,1.4,58.9,151,0,2,4,5,14,,215 °C at 19 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-(METHYLAMINO)BENZOIC ACID,010541-83-0,66345,4-(methylamino)benzoic acid,CNC1=CC=C(C=C1)C(=O)O,"InChI=1S/C8H9NO2/c1-9-7-4-2-6(3-5-7)8(10)11/h2-5,9H,1H3,(H,10,11)",ZVIDMSBTYRSMAR-UHFFFAOYSA-N,C8H9NO2,151.16,151.0633285,2.2,49.3,139,0,2,3,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
4-(METHYLTHIO)BENZOIC ACID,013205-48-6,83230,4-methylsulfanylbenzoic acid,CSC1=CC=C(C=C1)C(=O)O,"InChI=1S/C8H8O2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)",KWHCPERWLHBLOT-UHFFFAOYSA-N,C8H8O2S,168.21,168.0245007,2.7,62.6,139,0,1,3,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-AMINO-PARA-CRESOL,000095-84-1,7264,2-amino-4-methylphenol,CC1=CC(=C(C=C1)O)N,"InChI=1S/C7H9NO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,8H2,1H3",ZMXYNJXDULEQCK-UHFFFAOYSA-N,C7H9NO,123.15,123.0684139,1.2,46.3,94,0,2,2,0,9,,"Sublimes (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(S)-(+)-4-ISOBUTYL-ALPHA-METHYLPHENYL-ACETIC ACID,051146-56-6,39912,(2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid,C[C@@H](C1=CC=C(C=C1)CC(C)C)C(=O)O,"InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1",HEFNNWSXXWATRW-JTQLQIEISA-N,C13H18O2,206.28,206.1306798,3.5,37.3,203,0,1,2,4,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
Ronnel,000299-84-3,9298,"dimethoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane",COP(=S)(OC)OC1=CC(=C(C=C1Cl)Cl)Cl,"InChI=1S/C8H8Cl3O3PS/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3",JHJOOSLFWRRSGU-UHFFFAOYSA-N,C8H8Cl3O3PS,321.5,319.899735,5.1,59.8,273,0,0,4,4,16,,"Decomposes (NIOSH, 2024)",1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,6-DIETHYLBENZENAMINE",000579-66-8,11369,"2,6-diethylaniline",CCC1=C(C(=CC=C1)CC)N,"InChI=1S/C10H15N/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4,11H2,1-2H3",FOYHNROGBXVLLX-UHFFFAOYSA-N,C10H15N,149.23,149.1204495,2.7,26,99,0,1,1,2,11,,235.5 °C,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,4-TRIAMINOBENZENE DIHYDROCHLORIDE",000615-47-4,94179,"benzene-1,2,4-triamine;dihydrochloride",C1=CC(=C(C=C1N)N)N.Cl.Cl,"InChI=1S/C6H9N3.2ClH/c7-4-1-2-5(8)6(9)3-4;;/h1-3H,7-9H2;2*1H",RKMFFOLUBJFMBQ-UHFFFAOYSA-N,C6H11Cl2N3,196.07,195.0330028,,78.1,94,0,5,3,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4-DIMETHYLBENZOIC ACID",000619-04-5,12073,"3,4-dimethylbenzoic acid",CC1=C(C=C(C=C1)C(=O)O)C,"InChI=1S/C9H10O2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H,10,11)",OPVAJFQBSDUNQA-UHFFFAOYSA-N,C9H10O2,150.17,150.0680796,2.7,37.3,154,0,1,2,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BENZYL IODIDE,000620-05-3,12098,iodomethylbenzene,C1=CC=C(C=C1)CI,"InChI=1S/C7H7I/c8-6-7-4-2-1-3-5-7/h1-5H,6H2",XJTQJERLRPWUGL-UHFFFAOYSA-N,C7H7I,218.03,217.95925,3.4,0,55,0,0,0,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-NITROPHENYL ISOCYANATE,003320-86-3,76834,1-isocyanato-2-nitrobenzene,C1=CC=C(C(=C1)N=C=O)[N+](=O)[O-],InChI=1S/C7H4N2O3/c10-5-8-6-3-1-2-4-7(6)9(11)12/h1-4H,JRVZITODZAQRQM-UHFFFAOYSA-N,C7H4N2O3,164.12,164.022192,2.6,75.3,217,0,0,4,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-BROMO-1,2-DICHLOROBENZENE",018282-59-2,29013,"4-bromo-1,2-dichlorobenzene",C1=CC(=C(C=C1Br)Cl)Cl,InChI=1S/C6H3BrCl2/c7-4-1-2-5(8)6(9)3-4/h1-3H,CFPZDVAZISWERM-UHFFFAOYSA-N,C6H3BrCl2,225.89,223.87952,4.1,0,97,0,0,0,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-CHLOROPHENOL-D4,093951-73-6,16212938,"2-chloro-3,4,5,6-tetradeuteriophenol",[2H]C1=C(C(=C(C(=C1[2H])O)Cl)[2H])[2H],"InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H/i1D,2D,3D,4D",ISPYQTSUDJAMAB-RHQRLBAQSA-N,C6H5ClO,132.58,132.0279995,2.1,20.2,74,0,1,1,0,8,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
P-TOLUOHYDRAZIDE,003619-22-5,77174,4-methylbenzohydrazide,CC1=CC=C(C=C1)C(=O)NN,"InChI=1S/C8H10N2O/c1-6-2-4-7(5-3-6)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)",MFFVZXOPRXMVET-UHFFFAOYSA-N,C8H10N2O,150.18,150.0793129,0.7,55.1,139,0,2,2,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-BROMO-3,5-DI-TERT-BUTYLBENZENE",022385-77-9,620136,"1-bromo-3,5-ditert-butylbenzene",CC(C)(C)C1=CC(=CC(=C1)Br)C(C)(C)C,"InChI=1S/C14H21Br/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9H,1-6H3",BUOWTUULDKULFI-UHFFFAOYSA-N,C14H21Br,269.22,268.08266,6,0,184,0,0,0,2,15,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-BENZENEDIBORONIC ACID",004612-26-4,230478,(4-boronophenyl)boronic acid,B(C1=CC=C(C=C1)B(O)O)(O)O,"InChI=1S/C6H8B2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4,9-12H",BODYVHJTUHHINQ-UHFFFAOYSA-N,C6H8B2O4,165.75,166.0608691,,80.9,118,0,4,4,2,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-BROMO-2-NITROBENZOIC ACID,099277-71-1,3774467,4-bromo-2-nitrobenzoic acid,C1=CC(=C(C=C1Br)[N+](=O)[O-])C(=O)O,"InChI=1S/C7H4BrNO4/c8-4-1-2-5(7(10)11)6(3-4)9(12)13/h1-3H,(H,10,11)",ZIRHHEZLJGORGU-UHFFFAOYSA-N,C7H4BrNO4,246.01,244.93237,2.1,83.1,227,0,1,4,1,13,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"ETHYL 2,5-DIHYDROXYPHENYLACETATE",076196-46-8,297396,"ethyl 2-(2,5-dihydroxyphenyl)acetate",CCOC(=O)CC1=C(C=CC(=C1)O)O,"InChI=1S/C10H12O4/c1-2-14-10(13)6-7-5-8(11)3-4-9(7)12/h3-5,11-12H,2,6H2,1H3",QTMILHTUDCGNJF-UHFFFAOYSA-N,C10H12O4,196.2,196.0735589,1.4,66.8,193,0,2,4,4,14,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-AMINO-4-BROMOBENZONITRILE,304858-65-9,9920636,2-amino-4-bromobenzonitrile,C1=CC(=C(C=C1Br)N)C#N,"InChI=1S/C7H5BrN2/c8-6-2-1-5(4-9)7(10)3-6/h1-3H,10H2",PWJBXJQMHYIRKI-UHFFFAOYSA-N,C7H5BrN2,197.03,195.96361,2.2,49.8,160,0,1,2,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4,5-TRIFLUOROANILINE",163733-96-8,2724991,"3,4,5-trifluoroaniline",C1=C(C=C(C(=C1F)F)F)N,"InChI=1S/C6H4F3N/c7-4-1-3(10)2-5(8)6(4)9/h1-2H,10H2",SZRDJHHKIJHJHQ-UHFFFAOYSA-N,C6H4F3N,147.1,147.0295836,1.6,26,108,0,1,4,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-[(E)-3-HYDROXY-1-PROPENYL]PHENOL,003690-05-9,5280535,4-[(E)-3-hydroxyprop-1-enyl]phenol,C1=CC(=CC=C1/C=C/CO)O,"InChI=1S/C9H10O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-6,10-11H,7H2/b2-1+",PTNLHDGQWUGONS-OWOJBTEDSA-N,C9H10O2,150.17,150.0680796,1.3,40.5,124,0,2,2,2,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-METHYLPHTHALONITRILE,063089-50-9,2733971,"4-methylbenzene-1,2-dicarbonitrile",CC1=CC(=C(C=C1)C#N)C#N,"InChI=1S/C9H6N2/c1-7-2-3-8(5-10)9(4-7)6-11/h2-4H,1H3",MDXGRFMFORMPGT-UHFFFAOYSA-N,C9H6N2,142.16,142.0530982,1.7,47.6,226,0,0,2,0,11,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,3-DIAMINOBENZOIC ACID",000603-81-6,198069,"2,3-diaminobenzoic acid",C1=CC(=C(C(=C1)N)N)C(=O)O,"InChI=1S/C7H8N2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,8-9H2,(H,10,11)",KKTUQAYCCLMNOA-UHFFFAOYSA-N,C7H8N2O2,152.15,152.0585775,0.5,89.3,161,0,3,4,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"TETRAFLUOROBENZENE-1,2-DIOL",001996-23-2,2778870,"3,4,5,6-tetrafluorobenzene-1,2-diol",C1(=C(C(=C(C(=C1F)F)F)F)O)O,InChI=1S/C6H2F4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9/h11-12H,AQSZAISVBFUJQG-UHFFFAOYSA-N,C6H2F4O2,182.07,181.999092,2.8,40.5,150,0,2,6,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TERT-BUTYL (4-AMINOPHENYL)CARBAMATE,071026-66-9,688611,tert-butyl N-(4-aminophenyl)carbamate,CC(C)(C)OC(=O)NC1=CC=C(C=C1)N,"InChI=1S/C11H16N2O2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h4-7H,12H2,1-3H3,(H,13,14)",WIVYTYZCVWHWSH-UHFFFAOYSA-N,C11H16N2O2,208.26,208.1211778,1.5,64.4,215,0,2,3,3,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"1,4-DIBROMO-2-IODOBENZENE",089284-52-6,13406348,"1,4-dibromo-2-iodobenzene",C1=CC(=C(C=C1Br)I)Br,InChI=1S/C6H3Br2I/c7-4-1-2-5(8)6(9)3-4/h1-3H,VLRYPRKTXDPVNN-UHFFFAOYSA-N,C6H3Br2I,361.8,361.76257,4,0,97,0,0,0,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-MERCAPTOBENZONITRILE,036801-01-1,585058,4-sulfanylbenzonitrile,C1=CC(=CC=C1C#N)S,"InChI=1S/C7H5NS/c8-5-6-1-3-7(9)4-2-6/h1-4,9H",MVPUXVBBHWUOFS-UHFFFAOYSA-N,C7H5NS,135.19,135.0142703,2.1,24.8,127,0,1,2,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAFLUOROISOPHTHALONITRILE,002377-81-3,608182,"2,4,5,6-tetrafluorobenzene-1,3-dicarbonitrile",C(#N)C1=C(C(=C(C(=C1F)F)F)C#N)F,InChI=1S/C8F4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14,WVHMPQKZPHOCRD-UHFFFAOYSA-N,C8F4N2,200.09,199.9997607,1.8,47.6,284,0,0,6,0,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-BROMOBENZALDEHYDE DIETHYL ACETAL,034421-94-8,688340,1-bromo-4-(diethoxymethyl)benzene,CCOC(C1=CC=C(C=C1)Br)OCC,"InChI=1S/C11H15BrO2/c1-3-13-11(14-4-2)9-5-7-10(12)8-6-9/h5-8,11H,3-4H2,1-2H3",BFSNEBVTOODGHZ-UHFFFAOYSA-N,C11H15BrO2,259.14,258.02554,3,18.5,138,0,0,2,5,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PENTAFLUOROPHENYLACETONITRILE,000653-30-5,69554,"2-(2,3,4,5,6-pentafluorophenyl)acetonitrile",C(C#N)C1=C(C(=C(C(=C1F)F)F)F)F,InChI=1S/C8H2F5N/c9-4-3(1-2-14)5(10)7(12)8(13)6(4)11/h1H2,YDNOJUAQBFXZCR-UHFFFAOYSA-N,C8H2F5N,207.1,207.0107399,2.1,23.8,233,0,0,6,1,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-DIHYDROXYTEREPHTHALALDEHYDE",001951-36-6,11084236,"2,5-dihydroxyterephthalaldehyde",C1=C(C(=CC(=C1O)C=O)O)C=O,"InChI=1S/C8H6O4/c9-3-5-1-7(11)6(4-10)2-8(5)12/h1-4,11-12H",PIWMYUGNZBJTID-UHFFFAOYSA-N,C8H6O4,166.13,166.0266087,1.2,74.6,160,0,2,4,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-CHLORO-4-FLUOROPHENOL,001996-41-4,74814,2-chloro-4-fluorophenol,C1=CC(=C(C=C1F)Cl)O,"InChI=1S/C6H4ClFO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H",IGYXYGDEYHNFFT-UHFFFAOYSA-N,C6H4ClFO,146.54,145.9934706,2.5,20.2,99,0,1,2,0,9,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-DICHLORO-4-FLUORO-5-NITROBENZENE",002339-78-8,533951,"1,2-dichloro-4-fluoro-5-nitrobenzene",C1=C(C(=CC(=C1Cl)Cl)F)[N+](=O)[O-],InChI=1S/C6H2Cl2FNO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H,FXOCDIKCKFOUDE-UHFFFAOYSA-N,C6H2Cl2FNO2,209.99,208.9446619,3,45.8,187,0,0,3,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-CYANO-BENZENEACETONITRILE,000876-31-3,136686,4-(cyanomethyl)benzonitrile,C1=CC(=CC=C1CC#N)C#N,"InChI=1S/C9H6N2/c10-6-5-8-1-3-9(7-11)4-2-8/h1-4H,5H2",QILKKAFYAFEWGU-UHFFFAOYSA-N,C9H6N2,142.16,142.0530982,1.6,47.6,206,0,0,2,1,11,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-(4-BROMO-2-HYDROXYPHENYL)ETHANONE,030186-18-6,10727403,1-(4-bromo-2-hydroxyphenyl)ethanone,CC(=O)C1=C(C=C(C=C1)Br)O,"InChI=1S/C8H7BrO2/c1-5(10)7-3-2-6(9)4-8(7)11/h2-4,11H,1H3",LQCMMXGKEGWUIM-UHFFFAOYSA-N,C8H7BrO2,215.04,213.96294,2.7,37.3,158,0,1,2,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-IODOBENZENE-1,3-DIOL",041046-67-7,616833,"2-iodobenzene-1,3-diol",C1=CC(=C(C(=C1)O)I)O,"InChI=1S/C6H5IO2/c7-6-4(8)2-1-3-5(6)9/h1-3,8-9H",BNJXHRMYHDWZKL-UHFFFAOYSA-N,C6H5IO2,236.01,235.93343,1.9,40.5,87,0,2,2,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TYROSINE METHYL ESTER,001080-06-4,70652,methyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate,COC(=O)[C@H](CC1=CC=C(C=C1)O)N,"InChI=1S/C10H13NO3/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7/h2-5,9,12H,6,11H2,1H3/t9-/m0/s1",MWZPENIJLUWBSY-VIFPVBQESA-N,C10H13NO3,195.21,195.0895433,0.3,72.6,188,0,2,4,4,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrocatechol, 4-(2-aminoethyl)-",000051-61-6,681,"4-(2-aminoethyl)benzene-1,2-diol",C1=CC(=C(C=C1CCN)O)O,"InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2",VYFYYTLLBUKUHU-UHFFFAOYSA-N,C8H11NO2,153.18,153.0789786,-1,66.5,119,0,3,3,2,11,,,1,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"BENZENESULFONIC ACID, 2-AMINO-3,5-DIMETHYL-",000088-22-2,66608,"2-amino-3,5-dimethylbenzenesulfonic acid",CC1=CC(=C(C(=C1)S(=O)(=O)O)N)C,"InChI=1S/C8H11NO3S/c1-5-3-6(2)8(9)7(4-5)13(10,11)12/h3-4H,9H2,1-2H3,(H,10,11,12)",CFCXQQUQLZIZPI-UHFFFAOYSA-N,C8H11NO3S,201.25,201.0459644,1.3,88.8,270,0,2,4,1,13,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,2-BENZENEDICARBOXYLIC ACID, 4-CHLORO-",000089-20-3,6964,4-chlorophthalic acid,C1=CC(=C(C=C1Cl)C(=O)O)C(=O)O,"InChI=1S/C8H5ClO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13)",DVIPPHSQIBKWSA-UHFFFAOYSA-N,C8H5ClO4,200.57,199.9876363,2.4,74.6,228,0,2,4,2,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANENITRILE, 3-[(4-FORMYLPHENYL)METHYLAMINO]-",000094-21-3,66744,3-(4-formyl-N-methylanilino)propanenitrile,CN(CCC#N)C1=CC=C(C=C1)C=O,"InChI=1S/C11H12N2O/c1-13(8-2-7-12)11-5-3-10(9-14)4-6-11/h3-6,9H,2,8H2,1H3",DNRTTXXWWAKULZ-UHFFFAOYSA-N,C11H12N2O,188.23,188.094963,1.2,44.1,223,0,0,3,4,14,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"BENZENAMINE, N,N-DIMETHYL-4-NITRO-",000100-23-2,7491,"N,N-dimethyl-4-nitroaniline",CN(C)C1=CC=C(C=C1)[N+](=O)[O-],"InChI=1S/C8H10N2O2/c1-9(2)7-3-5-8(6-4-7)10(11)12/h3-6H,1-2H3",QJAIOCKFIORVFU-UHFFFAOYSA-N,C8H10N2O2,166.18,166.0742276,2.3,49.1,157,0,0,3,1,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENAMINE, 2-CHLORO-4-NITRO-",000121-87-9,8492,2-chloro-4-nitroaniline,C1=CC(=C(C=C1[N+](=O)[O-])Cl)N,"InChI=1S/C6H5ClN2O2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,8H2",LOCWBQIWHWIRGN-UHFFFAOYSA-N,C6H5ClN2O2,172.57,172.0039551,2.1,71.8,159,0,1,3,0,11,205 °C,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
CRAG HERBACIDE (SESONE)  (RESPIRABLE FRACTION),000136-78-7,23690431,"sodium 2-(2,4-dichlorophenoxy)ethyl sulfate",C1=CC(=C(C=C1Cl)Cl)OCCOS(=O)(=O)[O-].[Na+],"InChI=1S/C8H8Cl2O5S.Na/c9-6-1-2-8(7(10)5-6)14-3-4-15-16(11,12)13;/h1-2,5H,3-4H2,(H,11,12,13);/q;+1/p-1",KISFEBPWFCGRGN-UHFFFAOYSA-M,C8H7Cl2NaO5S,309.1,307.9288942,,84,308,0,0,5,5,17,,"Decomposes (NIOSH, 2024)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"BENZENAMINE, 2-[(TRIFLUOROMETHYL)THIO]-",000347-55-7,67670,2-(trifluoromethylsulfanyl)aniline,C1=CC=C(C(=C1)N)SC(F)(F)F,"InChI=1S/C7H6F3NS/c8-7(9,10)12-6-4-2-1-3-5(6)11/h1-4H,11H2",HIPLFBJHUALLRK-UHFFFAOYSA-N,C7H6F3NS,193.19,193.0173049,3,51.3,148,0,1,5,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CHLORPHENTERMINE (DESOPIMON),000461-78-9,10007,1-(4-chlorophenyl)-2-methylpropan-2-amine,CC(C)(CC1=CC=C(C=C1)Cl)N,"InChI=1S/C10H14ClN/c1-10(2,12)7-8-3-5-9(11)6-4-8/h3-6H,7,12H2,1-2H3",ZCKAMNXUHHNZLN-UHFFFAOYSA-N,C10H14ClN,183.68,183.0814771,2.6,26,137,0,1,1,2,12,,100-102 °C at 2.00E+00 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONIC ACID, SODIUM SALT",000515-42-4,517327,sodium benzenesulfonate,C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+],"InChI=1S/C6H6O3S.Na/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H,7,8,9);/q;+1/p-1",MZSDGDXXBZSFTG-UHFFFAOYSA-M,C6H5NaO3S,180.16,179.9857095,,65.6,188,0,0,3,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-DODECANAMINIUM, N,N-DIMETHYL-N-(2-PHENOXYETHYL)-, BROMIDE",000538-71-6,10866,dodecyl-dimethyl-(2-phenoxyethyl)azanium bromide,CCCCCCCCCCCC[N+](C)(C)CCOC1=CC=CC=C1.[Br-],"InChI=1S/C22H40NO.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-23(2,3)20-21-24-22-17-14-13-15-18-22;/h13-15,17-18H,4-12,16,19-21H2,1-3H3;1H/q+1;/p-1",OJIYIVCMRYCWSE-UHFFFAOYSA-M,C22H40BrNO,414.5,413.22933,,9.2,271,0,0,2,15,25,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1-METHOXY-3-NITRO-",000555-03-3,11140,1-methoxy-3-nitrobenzene,COC1=CC=CC(=C1)[N+](=O)[O-],"InChI=1S/C7H7NO3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3",WGYFINWERLNPHR-UHFFFAOYSA-N,C7H7NO3,153.14,153.0425931,2.2,55.1,143,0,0,3,1,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ACETAMIDE, N-(2,4-DINITROPHENYL)-",000610-53-7,69124,"N-(2,4-dinitrophenyl)acetamide",CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C8H7N3O5/c1-5(12)9-7-3-2-6(10(13)14)4-8(7)11(15)16/h2-4H,1H3,(H,9,12)",BRZYMGKDOVQJGX-UHFFFAOYSA-N,C8H7N3O5,225.16,225.0385703,1,121,308,0,1,5,1,16,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 4-HYDROXY-3-METHOXY-, ETHYL ESTER",000617-05-0,12038,ethyl 4-hydroxy-3-methoxybenzoate,CCOC(=O)C1=CC(=C(C=C1)O)OC,"InChI=1S/C10H12O4/c1-3-14-10(12)7-4-5-8(11)9(6-7)13-2/h4-6,11H,3H2,1-2H3",MWAYRGBWOVHDDZ-UHFFFAOYSA-N,C10H12O4,196.2,196.0735589,2.1,55.8,193,0,1,4,4,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZAMIDE, 4-METHYL-",000619-55-6,69274,4-methylbenzamide,CC1=CC=C(C=C1)C(=O)N,"InChI=1S/C8H9NO/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H2,9,10)",UHBGYFCCKRAEHA-UHFFFAOYSA-N,C8H9NO,135.16,135.0684139,1.2,43.1,125,0,1,1,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ACETAMIDE, N-(3-AMINOPHENYL)-, MONOHYDROCHLORIDE",000621-35-2,458805,N-(3-aminophenyl)acetamide;hydrochloride,CC(=O)NC1=CC=CC(=C1)N.Cl,"InChI=1S/C8H10N2O.ClH/c1-6(11)10-8-4-2-3-7(9)5-8;/h2-5H,9H2,1H3,(H,10,11);1H",NALDFXSDXQXFPL-UHFFFAOYSA-N,C8H11ClN2O,186.64,186.0559907,,55.1,147,0,3,2,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-PROPENAMIDE, 3-PHENYL-",000621-79-4,12135,3-phenylprop-2-enamide,C1=CC=C(C=C1)C=CC(=O)N,"InChI=1S/C9H9NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H2,10,11)",APEJMQOBVMLION-UHFFFAOYSA-N,C9H9NO,147.17,147.0684139,1.4,43.1,157,0,1,1,2,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 1-ETHOXY-4-METHYL-",000622-60-6,73955,1-ethoxy-4-methylbenzene,CCOC1=CC=C(C=C1)C,"InChI=1S/C9H12O/c1-3-10-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3",WSWPHHNIHLTAHB-UHFFFAOYSA-N,C9H12O,136.19,136.088815,3,9.2,82,0,0,1,2,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZONITRILE, 2-CHLORO-",000873-32-5,13391,2-chlorobenzonitrile,C1=CC=C(C(=C1)C#N)Cl,InChI=1S/C7H4ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H,NHWQMJMIYICNBP-UHFFFAOYSA-N,C7H4ClN,137.56,137.0032268,2,23.8,135,0,0,1,0,9,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,4-BENZENEDIOL, 2,5-BIS(1,1,3,3-TETRAMETHYLBUTYL)-",000903-19-5,70180,"2,5-bis(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol",CC(C)(C)CC(C)(C)C1=CC(=C(C=C1O)C(C)(C)CC(C)(C)C)O,"InChI=1S/C22H38O2/c1-19(2,3)13-21(7,8)15-11-18(24)16(12-17(15)23)22(9,10)14-20(4,5)6/h11-12,23-24H,13-14H2,1-10H3",CLDZVCMRASJQFO-UHFFFAOYSA-N,C22H38O2,334.5,334.2871805,8,40.5,369,0,2,2,6,24,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,1,1
"PROPANENITRILE, 3-(PHENYLAMINO)-",001075-76-9,14100,3-anilinopropanenitrile,C1=CC=C(C=C1)NCCC#N,"InChI=1S/C9H10N2/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6,11H,4,8H2",FENJKTQEFUPECW-UHFFFAOYSA-N,C9H10N2,146.19,146.0843983,2,35.8,139,0,1,2,3,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4,5-T ESTERS [CAS NO. 001928-47-8]",001928-47-8,15998,"2-ethylhexyl 2-(2,4,5-trichlorophenoxy)acetate",CCCCC(CC)COC(=O)COC1=CC(=C(C=C1Cl)Cl)Cl,"InChI=1S/C16H21Cl3O3/c1-3-5-6-11(4-2)9-22-16(20)10-21-15-8-13(18)12(17)7-14(15)19/h7-8,11H,3-6,9-10H2,1-2H3",MNELUOHPQMJXGU-UHFFFAOYSA-N,C16H21Cl3O3,367.7,366.055628,6.8,35.5,328,0,0,3,10,22,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"(2,4-DICHLOROPHENOXY)ACETIC ACID BUTOXYETHYL ESTER",001929-73-3,16002,"2-butoxyethyl 2-(2,4-dichlorophenoxy)acetate",CCCCOCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl,"InChI=1S/C14H18Cl2O4/c1-2-3-6-18-7-8-19-14(17)10-20-13-5-4-11(15)9-12(13)16/h4-5,9H,2-3,6-8,10H2,1H3",ZMWGIGHRZQTQRE-UHFFFAOYSA-N,C14H18Cl2O4,321.2,320.0582144,4.2,44.8,276,0,0,4,10,20,"Greater than 175 °F (open cup) /2,4-D esters/",156-162 °C @ 1-1.5 mm Hg,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
BENZENEBUTANENITRILE,002046-18-6,74897,4-phenylbutanenitrile,C1=CC=C(C=C1)CCCC#N,"InChI=1S/C10H11N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8H2",ICMVGKQFVMTRLB-UHFFFAOYSA-N,C10H11N,145.2,145.0891494,2.2,23.8,136,0,0,1,3,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"GLYCINE, N-PHENYL-, ETHYL ESTER",002216-92-4,75190,ethyl 2-anilinoacetate,CCOC(=O)CNC1=CC=CC=C1,"InChI=1S/C10H13NO2/c1-2-13-10(12)8-11-9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3",MLSGRWDEDYJNER-UHFFFAOYSA-N,C10H13NO2,179.22,179.0946287,1.3,38.3,153,0,1,3,5,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANONE, 2-(ACETYLOXY)-1-PHENYL-",002243-35-8,222851,phenacyl acetate,CC(=O)OCC(=O)C1=CC=CC=C1,"InChI=1S/C10H10O3/c1-8(11)13-7-10(12)9-5-3-2-4-6-9/h2-6H,7H2,1H3",BGAXCPSNMHVHJC-UHFFFAOYSA-N,C10H10O3,178.18,178.0629942,1.5,43.4,192,0,0,3,4,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"GLYCINE, N-BENZOYL-N-METHYL-",002568-34-5,75728,2-[benzoyl(methyl)amino]acetic acid,CN(CC(=O)O)C(=O)C1=CC=CC=C1,"InChI=1S/C10H11NO3/c1-11(7-9(12)13)10(14)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,13)",PKCSYDDSNIJRIX-UHFFFAOYSA-N,C10H11NO3,193.2,193.0738932,1,57.6,221,0,1,3,3,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 5-METHYL-2-NITRO-",003113-72-2,18371,5-methyl-2-nitrobenzoic acid,CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O,"InChI=1S/C8H7NO4/c1-5-2-3-7(9(12)13)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)",QRRSIFNWHCKMSW-UHFFFAOYSA-N,C8H7NO4,181.15,181.0375077,2.4,83.1,223,0,1,4,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZAMIDE, 2,4-DIHYDROXY-",003147-45-3,76601,"2,4-dihydroxybenzamide",C1=CC(=C(C=C1O)O)C(=O)N,"InChI=1S/C7H7NO3/c8-7(11)5-2-1-4(9)3-6(5)10/h1-3,9-10H,(H2,8,11)",IIUJCQYKTGNRHH-UHFFFAOYSA-N,C7H7NO3,153.14,153.0425931,1,83.6,160,0,3,3,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZAMIDE, 3,5-DIHYDROXY-",003147-62-4,76604,"3,5-dihydroxybenzamide",C1=C(C=C(C=C1O)O)C(=O)N,"InChI=1S/C7H7NO3/c8-7(11)4-1-5(9)3-6(10)2-4/h1-3,9-10H,(H2,8,11)",PLYYMFBDRBSPJZ-UHFFFAOYSA-N,C7H7NO3,153.14,153.0425931,0.2,83.6,150,0,3,3,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"PHENOL, 3-METHOXY-5-METHYL-",003209-13-0,76674,3-methoxy-5-methylphenol,CC1=CC(=CC(=C1)OC)O,"InChI=1S/C8H10O2/c1-6-3-7(9)5-8(4-6)10-2/h3-5,9H,1-2H3",NOTCZLKDULMKBR-UHFFFAOYSA-N,C8H10O2,138.16,138.0680796,1.9,29.5,103,0,1,2,1,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"CARBAMIC ACID, METHYL-, 2-CHLOROPHENYL ESTER",003942-54-9,19841,(2-chlorophenyl) N-methylcarbamate,CNC(=O)OC1=CC=CC=C1Cl,"InChI=1S/C8H8ClNO2/c1-10-8(11)12-7-5-3-2-4-6(7)9/h2-5H,1H3,(H,10,11)",ZAGNMMRDHSEOPE-UHFFFAOYSA-N,C8H8ClNO2,185.61,185.0243562,1.6,38.3,163,0,1,2,2,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHOSPHONIC ACID, [1,4-PHENYLENEBIS(METHYLENE)]BIS-, TETRAETHYL ESTER",004546-04-7,78303,"1,4-bis(diethoxyphosphorylmethyl)benzene",CCOP(=O)(CC1=CC=C(C=C1)CP(=O)(OCC)OCC)OCC,"InChI=1S/C16H28O6P2/c1-5-19-23(17,20-6-2)13-15-9-11-16(12-10-15)14-24(18,21-7-3)22-8-4/h9-12H,5-8,13-14H2,1-4H3",XTKQUBKFKSHRPS-UHFFFAOYSA-N,C16H28O6P2,378.34,378.1361126,1.5,71.1,374,0,0,6,12,24,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BENZENEMETHANESULFONAMIDE,004563-33-1,78318,phenylmethanesulfonamide,C1=CC=C(C=C1)CS(=O)(=O)N,"InChI=1S/C7H9NO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)",ABOYDMHGKWRPFD-UHFFFAOYSA-N,C7H9NO2S,171.22,171.0353997,0.1,68.5,199,0,1,3,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HYDRAZINE, (2,4,6-TRICHLOROPHENYL)-",005329-12-4,79234,"(2,4,6-trichlorophenyl)hydrazine",C1=C(C=C(C(=C1Cl)NN)Cl)Cl,"InChI=1S/C6H5Cl3N2/c7-3-1-4(8)6(11-10)5(9)2-3/h1-2,11H,10H2",MULHANRBCQBHII-UHFFFAOYSA-N,C6H5Cl3N2,211.5,209.951831,3,38.1,121,0,2,2,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, N-(5-AMINO-2-METHYLPHENYL)-",005434-30-0,79492,N-(5-amino-2-methylphenyl)acetamide,CC1=C(C=C(C=C1)N)NC(=O)C,"InChI=1S/C9H12N2O/c1-6-3-4-8(10)5-9(6)11-7(2)12/h3-5H,10H2,1-2H3,(H,11,12)",UAZGSMMESOKKQZ-UHFFFAOYSA-N,C9H12N2O,164.2,164.094963,0.5,55.1,170,0,2,2,1,12,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANOL, 2-BUTOXY-, BENZOATE",005451-76-3,79543,2-butoxyethyl benzoate,CCCCOCCOC(=O)C1=CC=CC=C1,"InChI=1S/C13H18O3/c1-2-3-9-15-10-11-16-13(14)12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3",NMBQBIACXMPEQB-UHFFFAOYSA-N,C13H18O3,222.28,222.1255944,3.1,35.5,186,0,0,3,8,16,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEACETIC ACID, .ALPHA.-FORMYL-, METHYL ESTER",005894-79-1,110729,methyl 3-oxo-2-phenylpropanoate,COC(=O)C(C=O)C1=CC=CC=C1,"InChI=1S/C10H10O3/c1-13-10(12)9(7-11)8-5-3-2-4-6-8/h2-7,9H,1H3",ORJFSDFCHJQCOH-UHFFFAOYSA-N,C10H10O3,178.18,178.0629942,1.4,43.4,183,0,0,3,4,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENAMINE, 3-CHLORO-2-METHYL-, HYDROCHLORIDE",006259-40-1,80415,3-chloro-2-methylaniline;hydrochloride,CC1=C(C=CC=C1Cl)N.Cl,"InChI=1S/C7H8ClN.ClH/c1-5-6(8)3-2-4-7(5)9;/h2-4H,9H2,1H3;1H",WCZGXAZCBNLQJB-UHFFFAOYSA-N,C7H9Cl2N,178.06,177.0112047,,26,94,0,2,1,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ACETIC ACID, (2-FORMYLPHENOXY)-",006280-80-4,46533,2-(2-formylphenoxy)acetic acid,C1=CC=C(C(=C1)C=O)OCC(=O)O,"InChI=1S/C9H8O4/c10-5-7-3-1-2-4-8(7)13-6-9(11)12/h1-5H,6H2,(H,11,12)",ANWMNLAAFDCKMT-UHFFFAOYSA-N,C9H8O4,180.16,180.0422587,0.8,63.6,190,0,1,4,4,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 2-AMINO-4-CHLORO-5-NITRO-",006358-07-2,3894848,2-amino-4-chloro-5-nitrophenol,C1=C(C(=CC(=C1Cl)[N+](=O)[O-])O)N,"InChI=1S/C6H5ClN2O3/c7-3-1-4(8)6(10)2-5(3)9(11)12/h1-2,10H,8H2",ZARYBZGMUVAJMK-UHFFFAOYSA-N,C6H5ClN2O3,188.57,187.9988697,1.2,92.1,184,0,2,4,0,12,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONAMIDE, 3-AMINO-4-METHOXY-",006973-08-6,81451,3-amino-4-methoxybenzenesulfonamide,COC1=C(C=C(C=C1)S(=O)(=O)N)N,"InChI=1S/C7H10N2O3S/c1-12-7-3-2-5(4-6(7)8)13(9,10)11/h2-4H,8H2,1H3,(H2,9,10,11)",NPWOQOWGIUVRAU-UHFFFAOYSA-N,C7H10N2O3S,202.23,202.0412134,0.4,104,259,0,2,5,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-BENZENEDIAMINE, N,N-DIETHYL-, HYDROCHLORIDE",016713-15-8,19799983,"4-N,4-N-diethylbenzene-1,4-diamine;dihydrochloride",CCN(CC)C1=CC=C(C=C1)N.Cl.Cl,"InChI=1S/C10H16N2.2ClH/c1-3-12(4-2)10-7-5-9(11)6-8-10;;/h5-8H,3-4,11H2,1-2H3;2*1H",NHPCFKHZILUMDE-UHFFFAOYSA-N,C10H18Cl2N2,237.17,236.084704,,29.3,113,0,3,2,3,14,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHENOL, 4-PROPOXY-",018979-50-5,29352,4-propoxyphenol,CCCOC1=CC=C(C=C1)O,"InChI=1S/C9H12O2/c1-2-7-11-9-5-3-8(10)4-6-9/h3-6,10H,2,7H2,1H3",KIIIPQXXLVCCQP-UHFFFAOYSA-N,C9H12O2,152.19,152.0837296,2.3,29.5,95,0,1,2,3,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 4-NITRO-, AMMONIUM SALT",019416-70-7,12135445,azane;4-nitrobenzoic acid,C1=CC(=CC=C1C(=O)O)[N+](=O)[O-].N,"InChI=1S/C7H5NO4.H3N/c9-7(10)5-1-3-6(4-2-5)8(11)12;/h1-4H,(H,9,10);1H3",JZIWMKUVMWKKLP-UHFFFAOYSA-N,C7H8N2O4,184.15,184.0484067,,84.1,190,0,2,5,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HYDRAZINE, (3,4-DIMETHOXYPHENYL)-, HYDROCHLORIDE",020329-82-2,88490,"(3,4-dimethoxyphenyl)hydrazine;hydrochloride",COC1=C(C=C(C=C1)NN)OC.Cl,"InChI=1S/C8H12N2O2.ClH/c1-11-7-4-3-6(10-9)5-8(7)12-2;/h3-5,10H,9H2,1-2H3;1H",HRSRMSMAVYUKRC-UHFFFAOYSA-N,C8H13ClN2O2,204.65,204.0665554,,56.5,132,0,3,4,3,13,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-SULFO-.OMEGA.-(4-NONYLPHENOXY)-, AMMONIUM SA",031691-97-1,169348,azanium 2-(4-nonylphenoxy)ethyl sulfate,CCCCCCCCCC1=CC=C(C=C1)OCCOS(=O)(=O)[O-].[NH4+],"InChI=1S/C17H28O5S.H3N/c1-2-3-4-5-6-7-8-9-16-10-12-17(13-11-16)21-14-15-22-23(18,19)20;/h10-13H,2-9,14-15H2,1H3,(H,18,19,20);1H3",RMCWGZGQNDVYCY-UHFFFAOYSA-N,C17H31NO5S,361.5,361.1922943,,85,356,0,1,5,12,24,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZAMIDE, N-HYDROXY-, MONOPOTASSIUM SALT",032685-16-8,3808331,potassium N-oxidobenzamide,C1=CC=C(C=C1)C(=O)N[O-].[K+],"InChI=1S/C7H6NO2.K/c9-7(8-10)6-4-2-1-3-5-6;/h1-5H,(H-,8,9,10);/q-1;+1",KNALIXDZFLAJJD-UHFFFAOYSA-N,C7H6KNO2,175.23,175.0035599,,52.2,124,0,1,2,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 4-(DIMETHOXYMETHYL)-, METHYL ESTER",042228-16-0,170620,methyl 4-(dimethoxymethyl)benzoate,COC(C1=CC=C(C=C1)C(=O)OC)OC,"InChI=1S/C11H14O4/c1-13-10(12)8-4-6-9(7-5-8)11(14-2)15-3/h4-7,11H,1-3H3",YUTFBICAYRWLGQ-UHFFFAOYSA-N,C11H14O4,210.23,210.0892089,2,44.8,193,0,0,4,5,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-HYDROXY-, 2-METHYLBUTYL ESTER",051115-63-0,162626,2-methylbutyl 2-hydroxybenzoate,CCC(C)COC(=O)C1=CC=CC=C1O,"InChI=1S/C12H16O3/c1-3-9(2)8-15-12(14)10-6-4-5-7-11(10)13/h4-7,9,13H,3,8H2,1-2H3",LCMNCRZMVCRJNZ-UHFFFAOYSA-N,C12H16O3,208.25,208.1099444,4.3,46.5,203,0,1,3,5,15,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzyl alcohol, p-(isopropylthio)-alpha-(1-(octylamino)ethyl)-, erythro-",054767-75-8,6604413,"(1R,2S)-2-(octylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol",CCCCCCCCN[C@@H](C)[C@@H](C1=CC=C(C=C1)SC(C)C)O,"InChI=1S/C20H35NOS/c1-5-6-7-8-9-10-15-21-17(4)20(22)18-11-13-19(14-12-18)23-16(2)3/h11-14,16-17,20-22H,5-10,15H2,1-4H3/t17-,20-/m0/s1",BFCDFTHTSVTWOG-PXNSSMCTSA-N,C20H35NOS,337.6,337.2439359,5.8,57.6,277,0,2,3,12,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-(2,4-DICHLOROPHENOXY)PROPANOIC ACID, METHYL ESTER",057153-17-0,90988,"methyl 2-(2,4-dichlorophenoxy)propanoate",CC(C(=O)OC)OC1=C(C=C(C=C1)Cl)Cl,"InChI=1S/C10H10Cl2O3/c1-6(10(13)14-2)15-9-4-3-7(11)5-8(9)12/h3-6H,1-2H3",SCHCPDWDIOTCMJ-UHFFFAOYSA-N,C10H10Cl2O3,249.09,248.0006996,3.3,35.5,223,0,0,3,4,15,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, 1,3-DICHLORO-2-IODO-5-NITRO-",062778-19-2,112948,"1,3-dichloro-2-iodo-5-nitrobenzene",C1=C(C=C(C(=C1Cl)I)Cl)[N+](=O)[O-],InChI=1S/C6H2Cl2INO2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,FCDBEIIBODDDEJ-UHFFFAOYSA-N,C6H2Cl2INO2,317.89,316.85073,3.7,45.8,175,0,0,2,0,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
(S)-2-amino-1-phenyl-1-Propanone,071031-15-7,62258,(2S)-2-amino-1-phenylpropan-1-one,C[C@@H](C(=O)C1=CC=CC=C1)N,"InChI=1S/C9H11NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7H,10H2,1H3/t7-/m0/s1",PUAQLLVFLMYYJJ-ZETCQYMHSA-N,C9H11NO,149.19,149.084064,1.1,43.1,138,0,1,2,2,11,,BP: 93 °C at 0.8 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-DIISOPROPYLANILINE",079069-41-3,12750108,"2,4-di(propan-2-yl)aniline",CC(C)C1=CC(=C(C=C1)N)C(C)C,"InChI=1S/C12H19N/c1-8(2)10-5-6-12(13)11(7-10)9(3)4/h5-9H,13H2,1-4H3",ZPDPRPHPYMTWMA-UHFFFAOYSA-N,C12H19N,177.29,177.1517496,3.5,26,151,0,1,1,2,13,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4,5-T, ISOBUTYL ESTER",004938-72-1,21058,"2-methylpropyl 2-(2,4,5-trichlorophenoxy)acetate",CC(C)COC(=O)COC1=CC(=C(C=C1Cl)Cl)Cl,"InChI=1S/C12H13Cl3O3/c1-7(2)5-18-12(16)6-17-11-4-9(14)8(13)3-10(11)15/h3-4,7H,5-6H2,1-2H3",KIIVFWSIMRWBKW-UHFFFAOYSA-N,C12H13Cl3O3,311.6,309.993027,5,35.5,273,0,0,3,6,18,"265-420 °F (OPEN CUP) /2,4,5-T ESTERS/",,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
STARLICIDE TECHNICAL,,62651,3-chloro-4-methylaniline;hydrochloride,CC1=C(C=C(C=C1)N)Cl.Cl,"InChI=1S/C7H8ClN.ClH/c1-5-2-3-6(9)4-7(5)8;/h2-4H,9H2,1H3;1H",YOQUZCNSUOJWQS-UHFFFAOYSA-N,C7H9Cl2N,178.06,177.0112047,,26,94,0,2,1,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"2-METHYL-4-CHLOROPHENOXYACETIC ACID, DIMETHYLAMINE SALT",002039-46-5,62420,2-(4-chloro-2-methylphenoxy)acetic acid;N-methylmethanamine,CC1=C(C=CC(=C1)Cl)OCC(=O)O.CNC,"InChI=1S/C9H9ClO3.C2H7N/c1-6-4-7(10)2-3-8(6)13-5-9(11)12;1-3-2/h2-4H,5H2,1H3,(H,11,12);3H,1-2H3",PKAUICCNAWQPAU-UHFFFAOYSA-N,C11H16ClNO3,245.7,245.0818711,,58.6,186,0,2,4,3,16,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, 4-AMINO-5-METHOXY-2-METHYL-",006471-78-9,80961,4-amino-5-methoxy-2-methylbenzenesulfonic acid,CC1=CC(=C(C=C1S(=O)(=O)O)OC)N,"InChI=1S/C8H11NO4S/c1-5-3-6(9)7(13-2)4-8(5)14(10,11)12/h3-4H,9H2,1-2H3,(H,10,11,12)",JBAVAJIXZVRJHT-UHFFFAOYSA-N,C8H11NO4S,217.24,217.040879,0.3,98,284,0,2,5,2,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-BENZYLIMINODIACETIC ACID,003987-53-9,77606,2-[benzyl(carboxymethyl)amino]acetic acid,C1=CC=C(C=C1)CN(CC(=O)O)CC(=O)O,"InChI=1S/C11H13NO4/c13-10(14)7-12(8-11(15)16)6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,14)(H,15,16)",SZQUPQVVCLFZLC-UHFFFAOYSA-N,C11H13NO4,223.22,223.0844579,-1.3,77.8,232,0,2,5,6,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-NITROSTYRENE (STABILIZED),000100-13-0,7481,1-ethenyl-4-nitrobenzene,C=CC1=CC=C(C=C1)[N+](=O)[O-],"InChI=1S/C8H7NO2/c1-2-7-3-5-8(6-4-7)9(10)11/h2-6H,1H2",YFZHODLXYNDBSM-UHFFFAOYSA-N,C8H7NO2,149.15,149.0476785,2.8,45.8,154,0,0,2,1,11,,,0,1,1,1,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,1
"4-(1,1-DIMETHYLETHYL)BENZOIC ACID, METHYL ESTER",026537-19-9,97433,methyl 4-tert-butylbenzoate,CC(C)(C)C1=CC=C(C=C1)C(=O)OC,"InChI=1S/C12H16O2/c1-12(2,3)10-7-5-9(6-8-10)11(13)14-4/h5-8H,1-4H3",UPIJOAFHOIWPLT-UHFFFAOYSA-N,C12H16O2,192.25,192.1150297,4,26.3,195,0,0,2,3,14,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 2-HYDROXY-3,5-DINITRO-, HYDRAZIDE",000955-07-7,3663247,"2-hydroxy-3,5-dinitrobenzohydrazide",C1=C(C=C(C(=C1C(=O)NN)O)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C7H6N4O6/c8-9-7(13)4-1-3(10(14)15)2-5(6(4)12)11(16)17/h1-2,12H,8H2,(H,9,13)",HWTXGJCHJRRKNS-UHFFFAOYSA-N,C7H6N4O6,242.15,242.0287339,0.3,167,336,0,3,7,1,17,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LAURYLDIMETHYLBENZYL AMMONIUM CHLORIDE,000139-07-1,8753,benzyl-dodecyl-dimethylazanium chloride,CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-],"InChI=1S/C21H38N.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1",JBIROUFYLSSYDX-UHFFFAOYSA-M,C21H38ClN,340,339.2692779,,0,240,0,0,1,13,23,,,1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"Phenol, 4-bromo-2-nitro-",007693-52-9,24364,4-bromo-2-nitrophenol,C1=CC(=C(C=C1Br)[N+](=O)[O-])O,"InChI=1S/C6H4BrNO3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H",CUTFAPGINUFNQM-UHFFFAOYSA-N,C6H4BrNO3,218,216.93746,2.5,66.1,158,0,1,3,0,11,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BENZYLAMINE,000100-46-9,7504,phenylmethanamine,C1=CC=C(C=C1)CN,"InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2",WGQKYBSKWIADBV-UHFFFAOYSA-N,C7H9N,107.15,107.0734993,1.1,26,55,0,1,1,1,8,"168 °F (USCG, 1999)","364.1 °F at 760 mmHg (USCG, 1999)",0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
4-FLUOROANILINE,000371-40-4,9731,4-fluoroaniline,C1=CC(=CC=C1N)F,"InChI=1S/C6H6FN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2",KRZCOLNOCZKSDF-UHFFFAOYSA-N,C6H6FN,111.12,111.0484274,1.1,26,66,0,1,2,0,8,"165 °F (USCG, 1999)","358.7 °F at 760 mmHg (USCG, 1999)",1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
4'-CHLOROACETOPHENONE,000099-91-2,7467,1-(4-chlorophenyl)ethanone,CC(=O)C1=CC=C(C=C1)Cl,"InChI=1S/C8H7ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3",BUZYGTVTZYSBCU-UHFFFAOYSA-N,C8H7ClO,154.59,154.0185425,2.3,17.1,125,0,0,1,1,10,,237 °C,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
BETA-PHENYLETHYL BROMIDE,000103-63-9,7666,2-bromoethylbenzene,C1=CC=C(C=C1)CCBr,"InChI=1S/C8H9Br/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2",WMPPDTMATNBGJN-UHFFFAOYSA-N,C8H9Br,185.06,183.98876,3.1,0,65,0,0,0,2,9,,219 °C,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
4-ALLYANISOLE,000140-67-0,8815,1-methoxy-4-prop-2-enylbenzene,COC1=CC=C(C=C1)CC=C,"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3",ZFMSMUAANRJZFM-UHFFFAOYSA-N,C10H12O,148.2,148.088815,3.4,9.2,112,0,0,1,3,11,"178 °F (NTP, 1992)","421 °F at 764 mmHg (NTP, 1992)",0,0,0,1,0,1,1,0,0,0,1,0,0,0,0,0,1,1,0,0
"BENZENE, 1,2-DICHLORO-4-METHYL-",000095-75-0,7256,"1,2-dichloro-4-methylbenzene",CC1=CC(=C(C=C1)Cl)Cl,"InChI=1S/C7H6Cl2/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3",WYUIWKFIFOJVKW-UHFFFAOYSA-N,C7H6Cl2,161.03,159.9846556,4,0,92,0,0,0,0,9,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"NITROSOPHENOL, P-",000104-91-6,7729,4-nitrosophenol,C1=CC(=CC=C1N=O)O,"InChI=1S/C6H5NO2/c8-6-3-1-5(7-9)2-4-6/h1-4,8H",JSTCPNFNKICNNO-UHFFFAOYSA-N,C6H5NO2,123.11,123.0320284,1.3,49.7,97,0,1,3,0,9,,,0,0,0,1,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0
METHYL 3-(BROMOMETHYL)BENZOATE,001129-28-8,517981,methyl 3-(bromomethyl)benzoate,COC(=O)C1=CC=CC(=C1)CBr,"InChI=1S/C9H9BrO2/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-5H,6H2,1H3",YUHSMQQNPRLEEJ-UHFFFAOYSA-N,C9H9BrO2,229.07,227.97859,3,26.3,159,0,0,2,3,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
ALACHLOR,015972-60-8,2078,"2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide",CCC1=C(C(=CC=C1)CC)N(COC)C(=O)CCl,"InChI=1S/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3",XCSGPAVHZFQHGE-UHFFFAOYSA-N,C14H20ClNO2,269.77,269.1182566,3.5,29.5,248,0,0,2,6,18,137 °C c.c.,100 °C at 0.02 mm Hg; 135 °C at 0.3 mm Hg,1,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"PHENOL, 3,4-DIMETHYL-, METHYLCARBAMATE",002425-10-7,17040,"(3,4-dimethylphenyl) N-methylcarbamate",CC1=C(C=C(C=C1)OC(=O)NC)C,"InChI=1S/C10H13NO2/c1-7-4-5-9(6-8(7)2)13-10(12)11-3/h4-6H,1-3H3,(H,11,12)",WCJYTPVNMWIZCG-UHFFFAOYSA-N,C10H13NO2,179.22,179.0946287,2.3,38.3,182,0,1,2,2,13,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Glyoxylonitrile, phenyl-, oxime, O,O-diethyl phosphorothioate",014816-18-3,26927,N-diethoxyphosphinothioyloxybenzenecarboximidoyl cyanide,CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1,"InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-14-12(10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3",ATROHALUCMTWTB-UHFFFAOYSA-N,C12H15N2O3PS,298.3,298.0541005,4.4,95.9,389,0,0,6,7,19,,,1,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,1,0,0
"GEMFIBROZIL (FEMALE,MALE)",025812-30-0,3463,"5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid",CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O,"InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)",HEMJJKBWTPKOJG-UHFFFAOYSA-N,C15H22O3,250.33,250.1568946,3.8,46.5,273,0,1,3,6,18,,159 °C at 0.02 mm Hg,0,0,0,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0
4-CHLOROBENZOTRICHLORIDE,005216-25-1,21277,1-chloro-4-(trichloromethyl)benzene,C1=CC(=CC=C1C(Cl)(Cl)Cl)Cl,"InChI=1S/C7H4Cl4/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H",LVZPKYYPPLUECL-UHFFFAOYSA-N,C7H4Cl4,229.9,229.903761,4.6,0,121,0,0,0,0,11,,"473 °F at 760 mmHg (NTP, 1992)",0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,1,0,1,1
HYDROQUINONE,000123-31-9,785,"benzene-1,4-diol",C1=CC(=CC=C1O)O,"InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H",QIGBRXMKCJKVMJ-UHFFFAOYSA-N,C6H6O2,110.11,110.0367794,0.6,40.5,54,0,2,2,0,8,"329 °F (EPA, 1998)","545 to 549 °F at 760 mmHg (EPA, 1998)",1,0,0,1,0,1,0,1,0,0,1,0,0,0,0,0,0,1,0,0
DICAMBA,001918-00-9,3030,"3,6-dichloro-2-methoxybenzoic acid",COC1=C(C=CC(=C1C(=O)O)Cl)Cl,"InChI=1S/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)",IWEDIXLBFLAXBO-UHFFFAOYSA-N,C8H6Cl2O3,221.03,219.9693994,2.2,46.5,198,0,1,3,2,13,"Not Applicable. Not flammable. (USCG, 1999)",> 200 °C,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1
DIALLYL PHTHALATE,000131-17-9,8560,"bis(prop-2-enyl) benzene-1,2-dicarboxylate",C=CCOC(=O)C1=CC=CC=C1C(=O)OCC=C,"InChI=1S/C14H14O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3-8H,1-2,9-10H2",QUDWYFHPNIMBFC-UHFFFAOYSA-N,C14H14O4,246.26,246.0892089,3.2,52.6,290,0,0,4,8,18,"230 °F (NTP, 1992)","554 °F at 760 mmHg (NTP, 1992)",1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
M-AMINOPHENOL,000591-27-5,11568,3-aminophenol,C1=CC(=CC(=C1)O)N,"InChI=1S/C6H7NO/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2",CWLKGDAVCFYWJK-UHFFFAOYSA-N,C6H7NO,109.13,109.0527638,0.2,46.3,74,0,2,2,0,8,,"327 °F at 11 mmHg (NTP, 1992)",0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4,6-TRI(DIMETHYLAMINOMETHYL)PHENOL",000090-72-2,7026,"2,4,6-tris[(dimethylamino)methyl]phenol",CN(C)CC1=CC(=C(C(=C1)CN(C)C)O)CN(C)C,"InChI=1S/C15H27N3O/c1-16(2)9-12-7-13(10-17(3)4)15(19)14(8-12)11-18(5)6/h7-8,19H,9-11H2,1-6H3",AHDSRXYHVZECER-UHFFFAOYSA-N,C15H27N3O,265.39,265.2154125,1.1,30,236,0,1,4,6,19,124 °C (255 °F) - closed cup,BP: 130-135 °C at 1 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
POTASSIUM DODECYLBENZENE SULFONATE,027177-77-1,23694261,potassium 2-dodecylbenzenesulfonate,CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[K+],"InChI=1S/C18H30O3S.K/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);/q;+1/p-1",HSJXWMZKBLUOLQ-UHFFFAOYSA-M,C18H29KO3S,364.6,364.1474474,,65.6,365,0,0,3,12,23,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
DL-2-FLUOROPHENYLGLYCINE,002343-27-3,580073,2-amino-2-(2-fluorophenyl)acetic acid,C1=CC=C(C(=C1)C(C(=O)O)N)F,"InChI=1S/C8H8FNO2/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)",CGNMJIBUVDGMIY-UHFFFAOYSA-N,C8H8FNO2,169.15,169.0539067,-1.6,63.3,174,0,2,4,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-ISOPROPYLANILINE,000099-88-7,7464,4-propan-2-ylaniline,CC(C)C1=CC=C(C=C1)N,"InChI=1S/C9H13N/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,10H2,1-2H3",LRTFPLFDLJYEKT-UHFFFAOYSA-N,C9H13N,135.21,135.1047994,2.2,26,90,0,1,1,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ACETOPHENONE,000098-86-2,7410,1-phenylethanone,CC(=O)C1=CC=CC=C1,"InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3",KWOLFJPFCHCOCG-UHFFFAOYSA-N,C8H8O,120.15,120.0575149,1.6,17.1,101,0,0,1,1,9,"180 °F (USCG, 1999)","395.1 °F at 760 mmHg (USCG, 1999)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
P-ANISALDEHYDE,000123-11-5,31244,4-methoxybenzaldehyde,COC1=CC=C(C=C1)C=O,"InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3",ZRSNZINYAWTAHE-UHFFFAOYSA-N,C8H8O2,136.15,136.0524295,1.8,26.3,104,0,0,2,2,10,116 °C (241 °F) - closed cup,255 °C,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,3,5-TETRACHLOROBENZENE",000634-90-2,12468,"1,2,3,5-tetrachlorobenzene",C1=C(C=C(C(=C1Cl)Cl)Cl)Cl,InChI=1S/C6H2Cl4/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,QZYNWJQFTJXIRN-UHFFFAOYSA-N,C6H2Cl4,215.9,215.888111,4.7,0,104,0,0,0,0,10,"greater than 235 °F (NTP, 1992)","475 °F at 760 mmHg (NTP, 1992)",1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
4-BROMOPHENYL ISOCYANATE,002493-02-9,75609,1-bromo-4-isocyanatobenzene,C1=CC(=CC=C1N=C=O)Br,InChI=1S/C7H4BrNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H,CZQIJQFTRGDODI-UHFFFAOYSA-N,C7H4BrNO,198.02,196.94763,3.4,29.4,146,0,0,2,1,10,,,0,1,1,0,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"BUTANAMIDE, N-(4-ETHOXYPHENYL)-3-HYDROXY-",001083-57-4,14130,N-(4-ethoxyphenyl)-3-hydroxybutanamide,CCOC1=CC=C(C=C1)NC(=O)CC(C)O,"InChI=1S/C12H17NO3/c1-3-16-11-6-4-10(5-7-11)13-12(15)8-9(2)14/h4-7,9,14H,3,8H2,1-2H3,(H,13,15)",LIAWQASKBFCRNR-UHFFFAOYSA-N,C12H17NO3,223.27,223.1208434,1.8,58.6,212,0,2,3,5,16,,,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
HEXAMETHYLBENZENE,000087-85-4,6908,"1,2,3,4,5,6-hexamethylbenzene",CC1=C(C(=C(C(=C1C)C)C)C)C,InChI=1S/C12H18/c1-7-8(2)10(4)12(6)11(5)9(7)3/h1-6H3,YUWFEBAXEOLKSG-UHFFFAOYSA-N,C12H18,162.27,162.1408506,4.6,0,91,0,0,0,0,12,,,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
SALICYLOHYDROXAMIC ACID,000089-73-6,66644,"N,2-dihydroxybenzamide",C1=CC=C(C(=C1)C(=O)NO)O,"InChI=1S/C7H7NO3/c9-6-4-2-1-3-5(6)7(10)8-11/h1-4,9,11H,(H,8,10)",HBROZNQEVUILML-UHFFFAOYSA-N,C7H7NO3,153.14,153.0425931,0.9,69.6,149,0,3,3,1,11,,,0,1,1,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-(1,1,3,3-TETRAMETHYLBUTYL)PHENOL",003884-95-5,62530,"2-(2,4,4-trimethylpentan-2-yl)phenol",CC(C)(C)CC(C)(C)C1=CC=CC=C1O,"InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-8-6-7-9-12(11)15/h6-9,15H,10H2,1-5H3",XSXWOBXNYNULJG-UHFFFAOYSA-N,C14H22O,206.32,206.1670653,5,20.2,200,0,1,1,3,15,,,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
DICHLOBENIL,001194-65-6,3031,"2,6-dichlorobenzonitrile",C1=CC(=C(C(=C1)Cl)C#N)Cl,InChI=1S/C7H3Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H,YOYAIZYFCNQIRF-UHFFFAOYSA-N,C7H3Cl2N,172.01,170.9642545,2.7,23.8,150,0,0,1,0,10,"Not Applicable. Not flammable. (USCG, 1999)","518 °F at 760 mmHg (USCG, 1999)",0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4'-DIBROMOACETOPHENONE",000099-73-0,7454,2-bromo-1-(4-bromophenyl)ethanone,C1=CC(=CC=C1C(=O)CBr)Br,"InChI=1S/C8H6Br2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2",FKJSFKCZZIXQIP-UHFFFAOYSA-N,C8H6Br2O,277.94,277.87649,3.2,17.1,139,0,0,1,2,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
PENTAFLUOROBENZOYL CHLORIDE,002251-50-5,75256,"2,3,4,5,6-pentafluorobenzoyl chloride",C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)Cl,InChI=1S/C7ClF5O/c8-7(14)1-2(9)4(11)6(13)5(12)3(1)10,MYHOHFDYWMPGJY-UHFFFAOYSA-N,C7ClF5O,230.52,229.9557831,2.9,17.1,222,0,0,6,1,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
PHENYLTIN TRICHLORIDE,001124-19-2,14298,trichloro(phenyl)stannane,C1=CC=C(C=C1)[Sn](Cl)(Cl)Cl,InChI=1S/C6H5.3ClH.Sn/c1-2-4-6-5-3-1;;;;/h1-5H;3*1H;/q;;;;+3/p-3,UBOGEXSQACVGEC-UHFFFAOYSA-K,C6H5Cl3Sn,302.2,301.847886,,0,104,0,0,0,0,10,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-SULFOBENZOIC ACID HYDRATE,123333-68-6,24820382,2-sulfobenzoic acid;hydrate,C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)O.O,"InChI=1S/C7H6O5S.H2O/c8-7(9)5-3-1-2-4-6(5)13(10,11)12;/h1-4H,(H,8,9)(H,10,11,12);1H2",HVJWSZOEEIYKSS-UHFFFAOYSA-N,C7H8O6S,220.2,220.0041591,,101,288,0,3,6,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,3-BIS(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXYPROPYL)BENZENE",000802-93-7,69933,"1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol",C1=CC(=CC(=C1)C(C(F)(F)F)(C(F)(F)F)O)C(C(F)(F)F)(C(F)(F)F)O,"InChI=1S/C12H6F12O2/c13-9(14,15)7(25,10(16,17)18)5-2-1-3-6(4-5)8(26,11(19,20)21)12(22,23)24/h1-4,25-26H",PGUIOHNOYADLMU-UHFFFAOYSA-N,C12H6F12O2,410.15,410.0176174,4.6,40.5,428,0,2,14,2,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-BROMOBENZENESULFONYL CHLORIDE,000098-58-8,7396,4-bromobenzenesulfonyl chloride,C1=CC(=CC=C1S(=O)(=O)Cl)Br,"InChI=1S/C6H4BrClO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H",KMMHZIBWCXYAAH-UHFFFAOYSA-N,C6H4BrClO2S,255.52,253.88039,2.8,42.5,213,0,0,2,1,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
4-METHOXYBENZOYL CHLORIDE,000100-07-2,7477,4-methoxybenzoyl chloride,COC1=CC=C(C=C1)C(=O)Cl,"InChI=1S/C8H7ClO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3",MXMOTZIXVICDSD-UHFFFAOYSA-N,C8H7ClO2,170.59,170.0134572,2.9,26.3,139,0,0,2,2,11,,"504 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"3,5-DIMETHYLBENZYL BROMIDE",027129-86-8,141334,"1-(bromomethyl)-3,5-dimethylbenzene",CC1=CC(=CC(=C1)CBr)C,"InChI=1S/C9H11Br/c1-7-3-8(2)5-9(4-7)6-10/h3-5H,6H2,1-2H3",QXDHXCVJGBTQMK-UHFFFAOYSA-N,C9H11Br,199.09,198.00441,3.2,0,90,0,0,0,1,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
4-TERT-BUTYLBENZYLAMINE,039895-55-1,2735655,(4-tert-butylphenyl)methanamine,CC(C)(C)C1=CC=C(C=C1)CN,"InChI=1S/C11H17N/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,8,12H2,1-3H3",MPWSRGAWRAYBJK-UHFFFAOYSA-N,C11H17N,163.26,163.1360995,2.5,26,126,0,1,1,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
L-2-AMINO-3-PHENYLPROPAN-1-OL,003182-95-4,447213,(2S)-2-amino-3-phenylpropan-1-ol,C1=CC=C(C=C1)C[C@@H](CO)N,"InChI=1S/C9H13NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m0/s1",STVVMTBJNDTZBF-VIFPVBQESA-N,C9H13NO,151.21,151.099714,0.7,46.3,99,0,2,2,3,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, 1,3-DICHLORO-2-(DICHLOROMETHYL)-",000081-19-6,6671,"1,3-dichloro-2-(dichloromethyl)benzene",C1=CC(=C(C(=C1)Cl)C(Cl)Cl)Cl,"InChI=1S/C7H4Cl4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,7H",QQPXXHAEIGVZKQ-UHFFFAOYSA-N,C7H4Cl4,229.9,229.903761,4.3,0,116,0,0,0,1,11,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENEMETHANAMINE, 2,4-DICHLORO-",000095-00-1,1485,"(2,4-dichlorophenyl)methanamine",C1=CC(=C(C=C1Cl)Cl)CN,"InChI=1S/C7H7Cl2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H2",SJUKJZSTBBSGHF-UHFFFAOYSA-N,C7H7Cl2N,176.04,174.9955546,2.3,26,108,0,1,1,1,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PHENOL, 4-(1,1-DIMETHYLETHYL)-2-METHYL-",000098-27-1,7379,4-tert-butyl-2-methylphenol,CC1=C(C=CC(=C1)C(C)(C)C)O,"InChI=1S/C11H16O/c1-8-7-9(11(2,3)4)5-6-10(8)12/h5-7,12H,1-4H3",SNKLPZOJLXDZCW-UHFFFAOYSA-N,C11H16O,164.24,164.1201151,3.6,20.2,146,0,1,1,1,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONIC ACID, 3-CHLORO-4-METHYL-",000098-34-0,66815,3-chloro-4-methylbenzenesulfonic acid,CC1=C(C=C(C=C1)S(=O)(=O)O)Cl,"InChI=1S/C7H7ClO3S/c1-5-2-3-6(4-7(5)8)12(9,10)11/h2-4H,1H3,(H,9,10,11)",UPMIEBBZKWZYEZ-UHFFFAOYSA-N,C7H7ClO3S,206.65,205.9804429,2.4,62.8,244,0,1,3,1,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONIC ACID, 3-AMINO-4-METHOXY-",000098-42-0,66821,3-amino-4-methoxybenzenesulfonic acid,COC1=C(C=C(C=C1)S(=O)(=O)O)N,"InChI=1S/C7H9NO4S/c1-12-7-3-2-5(4-6(7)8)13(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)",FLIOATBXVNLPLK-UHFFFAOYSA-N,C7H9NO4S,203.22,203.0252289,0.6,98,258,0,2,5,2,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"BENZENEMETHANAMINE, 3-METHYL-",000100-81-2,66015,(3-methylphenyl)methanamine,CC1=CC(=CC=C1)CN,"InChI=1S/C8H11N/c1-7-3-2-4-8(5-7)6-9/h2-5H,6,9H2,1H3",RGXUCUWVGKLACF-UHFFFAOYSA-N,C8H11N,121.18,121.0891494,1.3,26,80,0,1,1,1,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PHENOL, SODIUM SALT",000139-02-6,66602278,,C1=CC=C(C=C1)O.[Na],"InChI=1S/C6H6O.Na/c7-6-4-2-1-3-5-6;/h1-5,7H;",PYOZTOXFQNWBIS-UHFFFAOYSA-N,C6H6NaO,117.1,117.0316341,,20.2,46,0,1,1,0,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZOYL CHLORIDE, 4-(TRIFLUOROMETHYL)-",000329-15-7,67607,4-(trifluoromethyl)benzoyl chloride,C1=CC(=CC=C1C(=O)Cl)C(F)(F)F,"InChI=1S/C8H4ClF3O/c9-7(13)5-1-3-6(4-2-5)8(10,11)12/h1-4H",OXZYBOLWRXENKT-UHFFFAOYSA-N,C8H4ClF3O,208.56,207.9902769,4.1,17.1,194,0,0,4,1,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, 1-(BROMOMETHYL)-4-FLUORO-",000459-46-1,68021,1-(bromomethyl)-4-fluorobenzene,C1=CC(=CC=C1CBr)F,"InChI=1S/C7H6BrF/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2",NVNPLEPBDPJYRZ-UHFFFAOYSA-N,C7H6BrF,189.02,187.96369,2.8,0,77,0,0,1,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, (CHLOROMETHYL)PENTAMETHYL-",000484-65-1,68087,"1-(chloromethyl)-2,3,4,5,6-pentamethylbenzene",CC1=C(C(=C(C(=C1C)C)CCl)C)C,"InChI=1S/C12H17Cl/c1-7-8(2)10(4)12(6-13)11(5)9(7)3/h6H2,1-5H3",CXUAEBDTJFKMBV-UHFFFAOYSA-N,C12H17Cl,196.71,196.1018782,4.1,0,151,0,0,0,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,2-ETHANEDIAMINE, N-PHENYL-",001664-40-0,74270,"N'-phenylethane-1,2-diamine",C1=CC=C(C=C1)NCCN,"InChI=1S/C8H12N2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2",OCIDXARMXNJACB-UHFFFAOYSA-N,C8H12N2,136.19,136.1000484,0.6,38.1,77,0,2,2,3,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZOYL CHLORIDE, 4-IODO-",001711-02-0,74373,4-iodobenzoyl chloride,C1=CC(=CC=C1C(=O)Cl)I,InChI=1S/C7H4ClIO/c8-7(10)5-1-3-6(9)4-2-5/h1-4H,NJAKCIUOTIPYED-UHFFFAOYSA-N,C7H4ClIO,266.46,265.89954,4,17.1,130,0,0,1,1,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZOYL CHLORIDE, 3-(TRIFLUOROMETHYL)-",002251-65-2,75257,3-(trifluoromethyl)benzoyl chloride,C1=CC(=CC(=C1)C(F)(F)F)C(=O)Cl,"InChI=1S/C8H4ClF3O/c9-7(13)5-2-1-3-6(4-5)8(10,11)12/h1-4H",RUJYJCANMOTJMO-UHFFFAOYSA-N,C8H4ClF3O,208.56,207.9902769,3.9,17.1,202,0,0,4,1,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"CARBAMIC CHLORIDE, ETHYL(5-ISOCYANATO-2-METHYLPHENYL)-",071832-33-2,172907,N-ethyl-N-(5-isocyanato-2-methylphenyl)carbamoyl chloride,CCN(C1=C(C=CC(=C1)N=C=O)C)C(=O)Cl,"InChI=1S/C11H11ClN2O2/c1-3-14(11(12)16)10-6-9(13-7-15)5-4-8(10)2/h4-6H,3H2,1-2H3",JZKGLBABVFZFIL-UHFFFAOYSA-N,C11H11ClN2O2,238.67,238.0509053,3.9,49.7,302,0,0,3,3,16,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,0
"2,4-TOLUENE DIISOCYANATE",000584-84-9,11443,"2,4-diisocyanato-1-methylbenzene",CC1=C(C=C(C=C1)N=C=O)N=C=O,"InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3",DVKJHBMWWAPEIU-UHFFFAOYSA-N,C9H6N2O2,174.16,174.0429274,3.9,58.9,265,0,0,4,2,13,"270 °F (EPA, 1998)","484 °F at 760 mmHg (EPA, 1998)",0,0,1,0,0,1,1,1,0,0,0,0,0,0,1,0,1,1,0,1
"1,3-DIISOPROPENYLBENZENE",003748-13-8,77353,"1,3-bis(prop-1-en-2-yl)benzene",CC(=C)C1=CC(=CC=C1)C(=C)C,"InChI=1S/C12H14/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-8H,1,3H2,2,4H3",IBVPVTPPYGGAEL-UHFFFAOYSA-N,C12H14,158.24,158.1095504,4.9,0,168,0,0,0,2,12,,,1,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
2-BROMOPROPIOPHENONE,002114-00-3,16452,2-bromo-1-phenylpropan-1-one,CC(C(=O)C1=CC=CC=C1)Br,"InChI=1S/C9H9BrO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7H,1H3",WPDWOCRJBPXJFM-UHFFFAOYSA-N,C9H9BrO,213.07,211.98368,2.8,17.1,138,0,0,1,2,11,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM TOLUENE SULFONATE,012068-03-0,3720192,sodium 4-methylbenzenesulfonate,CC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+],"InChI=1S/C7H8O3S.Na/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);/q;+1/p-1",KVCGISUBCHHTDD-UHFFFAOYSA-M,C7H7NaO3S,194.19,194.0013595,,65.6,211,0,0,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
3-FORMYLBENZOIC ACID,000619-21-6,12077,3-formylbenzoic acid,C1=CC(=CC(=C1)C(=O)O)C=O,"InChI=1S/C8H6O3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H,(H,10,11)",UHDNUPHSDMOGCR-UHFFFAOYSA-N,C8H6O3,150.13,150.031694,1.6,54.4,165,0,1,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
TYROSINE DISODIUM DIHYDRATE,122666-87-9,71587456,disodium;(2S)-2-amino-3-(4-oxidophenyl)propanoate;dihydrate,C1=CC(=CC=C1C[C@@H](C(=O)[O-])N)[O-].O.O.[Na+].[Na+],"InChI=1S/C9H11NO3.2Na.2H2O/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;;;;/h1-4,8,11H,5,10H2,(H,12,13);;;2*1H2/q;2*+1;;/p-2/t8-;;;;/m0..../s1",WFTCFVUQORELJZ-USHJOAKVSA-L,C9H13NNa2O5,261.18,261.0589111,,91.2,170,0,3,6,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-BENZENEDICARBOXYLIC ACID, 3,4,5,6-TETRABROMO-, DIPOTASSIUM SALT",018824-74-3,87814,"dipotassium;3,4,5,6-tetrabromophthalate",C1(=C(C(=C(C(=C1Br)Br)Br)Br)C(=O)[O-])C(=O)[O-].[K+].[K+],"InChI=1S/C8H2Br4O4.2K/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11;;/h(H,13,14)(H,15,16);;/q;2*+1/p-2",VQGCTIUJDSOQNU-UHFFFAOYSA-L,C8Br4K2O4,557.89,557.57632,,80.3,269,0,0,4,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
1-(DIIODOMETHYL) SULFONYL-4-METHYL BENZENE,020018-09-1,62738,1-(diiodomethylsulfonyl)-4-methylbenzene,CC1=CC=C(C=C1)S(=O)(=O)C(I)I,"InChI=1S/C8H8I2O2S/c1-6-2-4-7(5-3-6)13(11,12)8(9)10/h2-5,8H,1H3",XOILGBPDXMVFIP-UHFFFAOYSA-N,C8H8I2O2S,422.02,421.83345,3.8,42.5,248,0,0,2,2,13,,394 °C,1,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
N-ETHYLAMPHETAMINE,000457-87-4,9982,N-ethyl-1-phenylpropan-2-amine,CCNC(C)CC1=CC=CC=C1,"InChI=1S/C11H17N/c1-3-12-10(2)9-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3",YAGBSNMZQKEFCO-UHFFFAOYSA-N,C11H17N,163.26,163.1360995,2.5,12,106,0,1,1,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N-DIPROPYLANILINE",002217-07-4,75191,"N,N-dipropylaniline",CCCN(CCC)C1=CC=CC=C1,"InChI=1S/C12H19N/c1-3-10-13(11-4-2)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3",MMFBQHXDINNBMW-UHFFFAOYSA-N,C12H19N,177.29,177.1517496,3.8,3.2,110,0,0,1,5,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
P-TOLUIC ACID,000099-94-5,7470,4-methylbenzoic acid,CC1=CC=C(C=C1)C(=O)O,"InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)",LPNBBFKOUUSUDB-UHFFFAOYSA-N,C8H8O2,136.15,136.0524295,2.3,37.3,123,0,1,2,1,10,,"525 to 527 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"3,4,5-TRIMETHOXYBENZOIC ACID",000118-41-2,8357,"3,4,5-trimethoxybenzoic acid",COC1=CC(=CC(=C1OC)OC)C(=O)O,"InChI=1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)",SJSOFNCYXJUNBT-UHFFFAOYSA-N,C10H12O5,212.2,212.0684735,1.4,65,204,0,1,5,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-DIMETHYLSTYRENE",002039-89-6,16265,"2-ethenyl-1,4-dimethylbenzene",CC1=CC(=C(C=C1)C)C=C,"InChI=1S/C10H12/c1-4-10-7-8(2)5-6-9(10)3/h4-7H,1H2,2-3H3",DBWWINQJTZYDFK-UHFFFAOYSA-N,C10H12,132.2,132.0939004,3.4,0,115,0,0,0,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-PHENYLBUTYRIC ACID,001821-12-1,4775,4-phenylbutanoic acid,C1=CC=C(C=C1)CCCC(=O)O,"InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)",OBKXEAXTFZPCHS-UHFFFAOYSA-N,C10H12O2,164.2,164.0837296,2.4,37.3,137,0,1,2,4,12,,290.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BENZOYLACETONE,000093-91-4,7166,"1-phenylbutane-1,3-dione",CC(=O)CC(=O)C1=CC=CC=C1,"InChI=1S/C10H10O2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-6H,7H2,1H3",CVBUKMMMRLOKQR-UHFFFAOYSA-N,C10H10O2,162.18,162.0680796,1.6,34.1,178,0,0,2,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4-DIHYDROXYBENZOIC ACID",000099-50-3,72,"3,4-dihydroxybenzoic acid",C1=CC(=C(C=C1C(=O)O)O)O,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",YQUVCSBJEUQKSH-UHFFFAOYSA-N,C7H6O4,154.12,154.0266087,1.1,77.8,157,0,3,4,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL VANILLATE,003943-74-6,19844,methyl 4-hydroxy-3-methoxybenzoate,COC1=C(C=CC(=C1)C(=O)OC)O,"InChI=1S/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3",BVWTXUYLKBHMOX-UHFFFAOYSA-N,C9H10O4,182.17,182.0579088,1.8,55.8,180,0,1,4,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-DIBROMOBENZENE",000583-53-9,11414,"1,2-dibromobenzene",C1=CC=C(C(=C1)Br)Br,InChI=1S/C6H4Br2/c7-5-3-1-2-4-6(5)8/h1-4H,WQONPSCCEXUXTQ-UHFFFAOYSA-N,C6H4Br2,235.9,235.86593,3.6,0,62,0,0,0,0,8,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
DODECYLBENZENE,000123-01-3,31237,dodecylbenzene,CCCCCCCCCCCCC1=CC=CC=C1,"InChI=1S/C18H30/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3",KWKXNDCHNDYVRT-UHFFFAOYSA-N,C18H30,246.4,246.234751,8.8,0,155,0,0,0,11,18,"275 °F (NTP, 1992)","627.8 °F at 760 mmHg (NTP, 1992)",1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"(1S,2S)-(+)-2-AMINO-1-PHENYL-1,3-PROPANEDIOL",028143-91-1,119881,"(1S,2S)-2-amino-1-phenylpropane-1,3-diol",C1=CC=C(C=C1)[C@@H]([C@H](CO)N)O,"InChI=1S/C9H13NO2/c10-8(6-11)9(12)7-4-2-1-3-5-7/h1-5,8-9,11-12H,6,10H2/t8-,9-/m0/s1",JUCGVCVPNPBJIG-IUCAKERBSA-N,C9H13NO2,167.2,167.0946287,-0.2,66.5,124,0,3,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-PHENYLVALERIC ACID,002270-20-4,16757,5-phenylpentanoic acid,C1=CC=C(C=C1)CCCCC(=O)O,"InChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13)",BYHDDXPKOZIZRV-UHFFFAOYSA-N,C11H14O2,178.23,178.0993797,2.7,37.3,148,0,1,2,5,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-BROMOANISOLE,000104-92-7,7730,1-bromo-4-methoxybenzene,COC1=CC=C(C=C1)Br,"InChI=1S/C7H7BrO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3",QJPJQTDYNZXKQF-UHFFFAOYSA-N,C7H7BrO,187.03,185.96803,2.8,9.2,77,0,0,1,1,9,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,1,0
"4-OCTYLBENZENESULFONIC ACID, SODIUM SALT",006149-03-7,23670838,sodium 4-octylbenzenesulfonate,CCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+],"InChI=1S/C14H22O3S.Na/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)18(15,16)17;/h9-12H,2-8H2,1H3,(H,15,16,17);/q;+1/p-1",ASJUTVUXOMPOQH-UHFFFAOYSA-M,C14H21NaO3S,292.37,292.11091,,65.6,303,0,0,3,8,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL 4-AMINOBENZOATE,000619-45-4,12082,methyl 4-aminobenzoate,COC(=O)C1=CC=C(C=C1)N,"InChI=1S/C8H9NO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,9H2,1H3",LZXXNPOYQCLXRS-UHFFFAOYSA-N,C8H9NO2,151.16,151.0633285,1.4,52.3,139,0,1,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-METHOXYPHENETHYL ALCOHOL,000702-23-8,69705,2-(4-methoxyphenyl)ethanol,COC1=CC=C(C=C1)CCO,"InChI=1S/C9H12O2/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5,10H,6-7H2,1H3",AUWDOZOUJWEPBA-UHFFFAOYSA-N,C9H12O2,152.19,152.0837296,0.8,29.5,95,0,1,2,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-HYDROXY-3-NITROPHENYLACETIC ACID,010463-20-4,447364,2-(4-hydroxy-3-nitrophenyl)acetic acid,C1=CC(=C(C=C1CC(=O)O)[N+](=O)[O-])O,"InChI=1S/C8H7NO5/c10-7-2-1-5(4-8(11)12)3-6(7)9(13)14/h1-3,10H,4H2,(H,11,12)",QBHBHOSRLDPIHG-UHFFFAOYSA-N,C8H7NO5,197.14,197.0324223,1.5,103,236,0,2,5,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-HYDROXY-5-NITROBENZOIC ACID,000096-97-9,7318,2-hydroxy-5-nitrobenzoic acid,C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)O,"InChI=1S/C7H5NO5/c9-6-2-1-4(8(12)13)3-5(6)7(10)11/h1-3,9H,(H,10,11)",PPDRLQLKHRZIJC-UHFFFAOYSA-N,C7H5NO5,183.12,183.0167723,2.3,103,223,0,2,5,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-DINITROBENZOIC ACID",000610-30-0,11880,"2,4-dinitrobenzoic acid",C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)O,"InChI=1S/C7H4N2O6/c10-7(11)5-2-1-4(8(12)13)3-6(5)9(14)15/h1-3H,(H,10,11)",ZIIGSRYPZWDGBT-UHFFFAOYSA-N,C7H4N2O6,212.12,212.0069359,1.3,129,293,0,1,6,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-AMINO-3-NITROBENZOIC ACID,001588-83-6,74115,4-amino-3-nitrobenzoic acid,C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])N,"InChI=1S/C7H6N2O4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,8H2,(H,10,11)",ZZNAYFWAXZJITH-UHFFFAOYSA-N,C7H6N2O4,182.13,182.0327567,0.7,109,225,0,2,5,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-AMINOSALICYLIC ACID,000065-49-6,4649,4-amino-2-hydroxybenzoic acid,C1=CC(=C(C=C1N)O)C(=O)O,"InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)",WUBBRNOQWQTFEX-UHFFFAOYSA-N,C7H7NO3,153.14,153.0425931,1.3,83.6,160,0,3,4,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-IODOPHENYLACETIC ACID,018698-96-9,2780090,2-(2-iodophenyl)acetic acid,C1=CC=C(C(=C1)CC(=O)O)I,"InChI=1S/C8H7IO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H,10,11)",IUHXGZHKSYYDIL-UHFFFAOYSA-N,C8H7IO2,262.04,261.94908,2.3,37.3,147,0,1,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-BROMO-M-XYLENE,000556-96-7,136357,"1-bromo-3,5-dimethylbenzene",CC1=CC(=CC(=C1)Br)C,"InChI=1S/C8H9Br/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3",LMFRTSBQRLSJHC-UHFFFAOYSA-N,C8H9Br,185.06,183.98876,3.4,0,80,0,0,0,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-CYANO-3-(4-HYDROXYPHENYL)ACRYLIC ACID,028166-41-8,2102,2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid,C1=CC(=CC=C1C=C(C#N)C(=O)O)O,"InChI=1S/C10H7NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5,12H,(H,13,14)",AFVLVVWMAFSXCK-UHFFFAOYSA-N,C10H7NO3,189.17,189.0425931,1.4,81.3,292,0,2,4,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-TERT-BUTYLBENZYL ALCOHOL,000877-65-6,13416,(4-tert-butylphenyl)methanol,CC(C)(C)C1=CC=C(C=C1)CO,"InChI=1S/C11H16O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3",FVEINXLJOJPHLH-UHFFFAOYSA-N,C11H16O,164.24,164.1201151,2.9,20.2,126,0,1,1,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4'-FLUOROACETOPHENONE,000403-42-9,9828,1-(4-fluorophenyl)ethanone,CC(=O)C1=CC=C(C=C1)F,"InChI=1S/C8H7FO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3",ZDPAWHACYDRYIW-UHFFFAOYSA-N,C8H7FO,138.14,138.048093,1.7,17.1,125,0,0,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4'-HYDROXYPROPIOPHENONE,000070-70-2,6271,1-(4-hydroxyphenyl)propan-1-one,CCC(=O)C1=CC=C(C=C1)O,"InChI=1S/C9H10O2/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3",RARSHUDCJQSEFJ-UHFFFAOYSA-N,C9H10O2,150.17,150.0680796,2,37.3,134,0,1,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SILVER P-TOLUENESULFONATE,016836-95-6,85606,silver 4-methylbenzenesulfonate,CC1=CC=C(C=C1)S(=O)(=O)[O-].[Ag+],"InChI=1S/C7H8O3S.Ag/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);/q;+1/p-1",JUDUFOKGIZUSFP-UHFFFAOYSA-M,C7H7AgO3S,279.06,277.91668,,65.6,193,0,0,3,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
7-PHENYLHEPTANOIC ACID,040228-90-8,520987,7-phenylheptanoic acid,C1=CC=C(C=C1)CCCCCCC(=O)O,"InChI=1S/C13H18O2/c14-13(15)11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2,(H,14,15)",ZVSXKFNTWOIGJI-UHFFFAOYSA-N,C13H18O2,206.28,206.1306798,3.6,37.3,171,0,1,2,7,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2',6'-DIHYDROXYACETOPHENONE",000699-83-2,69687,"1-(2,6-dihydroxyphenyl)ethanone",CC(=O)C1=C(C=CC=C1O)O,"InChI=1S/C8H8O3/c1-5(9)8-6(10)3-2-4-7(8)11/h2-4,10-11H,1H3",YPTJKHVBDCRKNF-UHFFFAOYSA-N,C8H8O3,152.15,152.0473441,1.4,57.5,145,0,2,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-DIISOPROPYL-N,N-DIMETHYLANILINE",002909-77-5,76198,"N,N-dimethyl-2,6-di(propan-2-yl)aniline",CC(C)C1=C(C(=CC=C1)C(C)C)N(C)C,"InChI=1S/C14H23N/c1-10(2)12-8-7-9-13(11(3)4)14(12)15(5)6/h7-11H,1-6H3",ALXIOUGHHXXLKX-UHFFFAOYSA-N,C14H23N,205.34,205.1830497,4.3,3.2,168,0,0,1,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACROLEIN 2,4-DINITROPHENYLHYDRAZONE",000888-54-0,9568683,"2,4-dinitro-N-[(E)-prop-2-enylideneamino]aniline",C=C/C=N/NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C9H8N4O4/c1-2-5-10-11-8-4-3-7(12(14)15)6-9(8)13(16)17/h2-6,11H,1H2/b10-5+",JJPZHGIYUVFTGG-BJMVGYQFSA-N,C9H8N4O4,236.18,236.0545548,1.4,116,333,0,1,6,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
10-PHENYLDECANOIC ACID,018017-73-7,140324,10-phenyldecanoic acid,C1=CC=C(C=C1)CCCCCCCCCC(=O)O,"InChI=1S/C16H24O2/c17-16(18)14-10-5-3-1-2-4-7-11-15-12-8-6-9-13-15/h6,8-9,12-13H,1-5,7,10-11,14H2,(H,17,18)",IISIYJPTBDSIFM-UHFFFAOYSA-N,C16H24O2,248.36,248.17763,5.2,37.3,207,0,1,2,10,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ISOBUTYROPHENONE,000611-70-1,69144,2-methyl-1-phenylpropan-1-one,CC(C)C(=O)C1=CC=CC=C1,"InChI=1S/C10H12O/c1-8(2)10(11)9-6-4-3-5-7-9/h3-8H,1-2H3",BSMGLVDZZMBWQB-UHFFFAOYSA-N,C10H12O,148.2,148.088815,2.7,17.1,132,0,0,1,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4'-HYDROXY-3'-METHYLACETOPHENONE,000876-02-8,70135,1-(4-hydroxy-3-methylphenyl)ethanone,CC1=C(C=CC(=C1)C(=O)C)O,"InChI=1S/C9H10O2/c1-6-5-8(7(2)10)3-4-9(6)11/h3-5,11H,1-2H3",LXBHHIZIQVZGFN-UHFFFAOYSA-N,C9H10O2,150.17,150.0680796,1,37.3,154,0,1,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4-DIHYDROXYPHENYLACETIC ACID",000102-32-9,547,"2-(3,4-dihydroxyphenyl)acetic acid",C1=CC(=C(C=C1CC(=O)O)O)O,"InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)",CFFZDZCDUFSOFZ-UHFFFAOYSA-N,C8H8O4,168.15,168.0422587,0.5,77.8,168,0,3,4,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DL-P-HYDROXYPHENYLLACTIC,006482-98-0,9378,2-hydroxy-3-(4-hydroxyphenyl)propanoic acid,C1=CC(=CC=C1CC(C(=O)O)O)O,"InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)",JVGVDSSUAVXRDY-UHFFFAOYSA-N,C9H10O4,182.17,182.0579088,0.3,77.8,172,0,3,4,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DEOXYEPINEPHRINE HYDROCHLORIDE,000062-32-8,86470,"4-[2-(methylamino)ethyl]benzene-1,2-diol;hydrochloride",CNCCC1=CC(=C(C=C1)O)O.Cl,"InChI=1S/C9H13NO2.ClH/c1-10-5-4-7-2-3-8(11)9(12)6-7;/h2-3,6,10-12H,4-5H2,1H3;1H",JCDRZCWRRLKLTB-UHFFFAOYSA-N,C9H14ClNO2,203.66,203.0713064,,52.5,130,0,4,3,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-AMINO-1-PHENYLETHANOL,007568-93-6,1000,2-amino-1-phenylethanol,C1=CC=C(C=C1)C(CN)O,"InChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2",ULSIYEODSMZIPX-UHFFFAOYSA-N,C8H11NO,137.18,137.084064,0.1,46.3,89,0,2,2,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-(TRIFLUOROMETHYL)BENZYL ALCOHOL,000349-95-1,67684,[4-(trifluoromethyl)phenyl]methanol,C1=CC(=CC=C1CO)C(F)(F)F,"InChI=1S/C8H7F3O/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4,12H,5H2",MOOUWXDQAUXZRG-UHFFFAOYSA-N,C8H7F3O,176.14,176.0448993,2.1,20.2,136,0,1,4,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HEXAFLUORO-2-(P-TOLYL)ISOPROPANOL,002010-61-9,74829,"1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-ol",CC1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)O,"InChI=1S/C10H8F6O/c1-6-2-4-7(5-3-6)8(17,9(11,12)13)10(14,15)16/h2-5,17H,1H3",AOAVZPXKNQAALI-UHFFFAOYSA-N,C10H8F6O,258.16,258.0479339,3.8,20.2,247,0,1,7,1,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
3-BROMOSTYRENE,002039-86-3,74870,1-bromo-3-ethenylbenzene,C=CC1=CC(=CC=C1)Br,"InChI=1S/C8H7Br/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2",KQJQPCJDKBKSLV-UHFFFAOYSA-N,C8H7Br,183.04,181.97311,3.4,0,98,0,0,0,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-(TRIFLUOROMETHOXY)BENZALDEHYDE,000659-28-9,69573,4-(trifluoromethoxy)benzaldehyde,C1=CC(=CC=C1C=O)OC(F)(F)F,"InChI=1S/C8H5F3O2/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-5H",XQNVDQZWOBPLQZ-UHFFFAOYSA-N,C8H5F3O2,190.12,190.0241639,3,26.3,171,0,0,5,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-HYDROXY-3-METHOXYCINNAMALDEHYDE,000458-36-6,5280536,(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal,COC1=C(C=CC(=C1)/C=C/C=O)O,"InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+",DKZBBWMURDFHNE-NSCUHMNNSA-N,C10H10O3,178.18,178.0629942,1.5,46.5,189,0,1,3,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL BENZIMIDATE HYDROCHLORIDE,005873-90-5,5743287,methyl benzenecarboximidate;hydrochloride,COC(=N)C1=CC=CC=C1.Cl,"InChI=1S/C8H9NO.ClH/c1-10-8(9)7-5-3-2-4-6-7;/h2-6,9H,1H3;1H",HDJNHVNQRJMWSH-UHFFFAOYSA-N,C8H10ClNO,171.62,171.0450916,,33.1,116,0,2,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRABUTYLAMMONIUM THIOPHENOLATE,004670-62-6,11772529,benzenethiolate;tetrabutylazanium,CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C(C=C1)[S-],"InChI=1S/C16H36N.C6H6S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;7-6-4-2-1-3-5-6/h5-16H2,1-4H3;1-5,7H/q+1;/p-1",DCYKVBXIMAFNDD-UHFFFAOYSA-M,C22H41NS,351.6,351.2959715,,1,162,0,0,1,12,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-IODOBENZOIC ACID,000618-51-9,12060,3-iodobenzoic acid,C1=CC(=CC(=C1)I)C(=O)O,"InChI=1S/C7H5IO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)",KVBWBCRPWVKFQT-UHFFFAOYSA-N,C7H5IO2,248.02,247.93343,3.1,37.3,136,0,1,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-HYDROXYBENZALDEHYDE,000100-83-4,101,3-hydroxybenzaldehyde,C1=CC(=CC(=C1)O)C=O,"InChI=1S/C7H6O2/c8-5-6-2-1-3-7(9)4-6/h1-5,9H",IAVREABSGIHHMO-UHFFFAOYSA-N,C7H6O2,122.12,122.0367794,1.4,37.3,101,0,1,2,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-CHLORO-4-HYDROXYBENZOIC ACID,003964-58-7,19860,3-chloro-4-hydroxybenzoic acid,C1=CC(=C(C=C1C(=O)O)Cl)O,"InChI=1S/C7H5ClO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11)",QGNLHMKIGMZKJX-UHFFFAOYSA-N,C7H5ClO3,172.56,171.9927217,2,57.5,160,0,2,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL 4-METHOXYSALICYLATE,005446-02-6,79523,methyl 2-hydroxy-4-methoxybenzoate,COC1=CC(=C(C=C1)C(=O)OC)O,"InChI=1S/C9H10O4/c1-12-6-3-4-7(8(10)5-6)9(11)13-2/h3-5,10H,1-2H3",ZICRWXFGZCVTBZ-UHFFFAOYSA-N,C9H10O4,182.17,182.0579088,2.4,55.8,180,0,1,4,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-ACETAMIDOBENZOIC ACID,000587-48-4,48847,3-acetamidobenzoic acid,CC(=O)NC1=CC=CC(=C1)C(=O)O,"InChI=1S/C9H9NO3/c1-6(11)10-8-4-2-3-7(5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)",RGDPZMQZWZMONQ-UHFFFAOYSA-N,C9H9NO3,179.17,179.0582431,1.3,66.4,215,0,2,3,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-(4-BROMOPHENYL)OCTANE,051554-93-9,142854,1-bromo-4-octylbenzene,CCCCCCCCC1=CC=C(C=C1)Br,"InChI=1S/C14H21Br/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12H,2-8H2,1H3",OOZQSVXPBCINJF-UHFFFAOYSA-N,C14H21Br,269.22,268.08266,6.4,0,136,0,0,0,7,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ALPHA-METHYLCINNAMIC ACID,001199-77-5,637817,(E)-2-methyl-3-phenylprop-2-enoic acid,C/C(=C\C1=CC=CC=C1)/C(=O)O,"InChI=1S/C10H10O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)/b8-7+",XNCRUNXWPDJHGV-BQYQJAHWSA-N,C10H10O2,162.18,162.0680796,2.2,37.3,188,0,1,2,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
P-TOLYLACETIC ACID,000622-47-9,248474,2-(4-methylphenyl)acetic acid,CC1=CC=C(C=C1)CC(=O)O,"InChI=1S/C9H10O2/c1-7-2-4-8(5-3-7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)",GXXXUZIRGXYDFP-UHFFFAOYSA-N,C9H10O2,150.17,150.0680796,1.9,37.3,134,0,1,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-METHYLRESORCINOL,000496-73-1,10333,"4-methylbenzene-1,3-diol",CC1=C(C=C(C=C1)O)O,"InChI=1S/C7H8O2/c1-5-2-3-6(8)4-7(5)9/h2-4,8-9H,1H3",FNYDIAAMUCQQDE-UHFFFAOYSA-N,C7H8O2,124.14,124.0524295,1.6,40.5,92,0,2,2,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIMETHYL 5-HYDROXYISOPHTHALATE,013036-02-7,83065,"dimethyl 5-hydroxybenzene-1,3-dicarboxylate",COC(=O)C1=CC(=CC(=C1)O)C(=O)OC,"InChI=1S/C10H10O5/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5,11H,1-2H3",DOSDTCPDBPRFHQ-UHFFFAOYSA-N,C10H10O5,210.18,210.0528234,1.3,72.8,226,0,1,5,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-AMINOTEREPHTHALIC ACID,010312-55-7,2724822,2-aminoterephthalic acid,C1=CC(=C(C=C1C(=O)O)N)C(=O)O,"InChI=1S/C8H7NO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)",GPNNOCMCNFXRAO-UHFFFAOYSA-N,C8H7NO4,181.15,181.0375077,1.6,101,228,0,3,5,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3,5,6-TETRAFLUORO-4-AMINOBENZOTRIFLUORIDE",000651-83-2,616257,"2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline",C1(=C(C(=C(C(=C1F)F)N)F)F)C(F)(F)F,"InChI=1S/C7H2F7N/c8-2-1(7(12,13)14)3(9)5(11)6(15)4(2)10/h15H2",FJOACTZFMHZHSC-UHFFFAOYSA-N,C7H2F7N,233.09,233.0075462,2.5,26,214,0,1,8,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-HYDROXYBENZAMIDE,000619-57-8,65052,4-hydroxybenzamide,C1=CC(=CC=C1C(=O)N)O,"InChI=1S/C7H7NO2/c8-7(10)5-1-3-6(9)4-2-5/h1-4,9H,(H2,8,10)",QXSAKPUBHTZHKW-UHFFFAOYSA-N,C7H7NO2,137.14,137.0476785,0.3,63.3,128,0,2,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-DIMETHOXYBENZOIC ACID",001132-21-4,14332,"3,5-dimethoxybenzoic acid",COC1=CC(=CC(=C1)C(=O)O)OC,"InChI=1S/C9H10O4/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3,(H,10,11)",IWPZKOJSYQZABD-UHFFFAOYSA-N,C9H10O4,182.17,182.0579088,2.2,55.8,168,0,1,4,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-NITROBENZENEBORONIC ACID,013331-27-6,1677,(3-nitrophenyl)boronic acid,B(C1=CC(=CC=C1)[N+](=O)[O-])(O)O,"InChI=1S/C6H6BNO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,9-10H",ZNRGSYUVFVNSAW-UHFFFAOYSA-N,C6H6BNO4,166.93,167.0389878,,86.3,169,0,2,4,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CARBOBENZYLOXYGLYCINE,001138-80-3,14349,2-(phenylmethoxycarbonylamino)acetic acid,C1=CC=C(C=C1)COC(=O)NCC(=O)O,"InChI=1S/C10H11NO4/c12-9(13)6-11-10(14)15-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)",CJUMAFVKTCBCJK-UHFFFAOYSA-N,C10H11NO4,209.2,209.0688078,1,75.6,223,0,2,4,5,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N-((1,1-DIMETHYLETHOXY)CARBONYL)-L-GLUTAMIC ACID, 5-(PHENYLMETHYL) ESTER",013574-13-5,83589,(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylmethoxypentanoic acid,CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCC1=CC=CC=C1)C(=O)O,"InChI=1S/C17H23NO6/c1-17(2,3)24-16(22)18-13(15(20)21)9-10-14(19)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,20,21)/t13-/m0/s1",AJDUMMXHVCMISJ-ZDUSSCGKSA-N,C17H23NO6,337.4,337.1525375,2.2,102,437,0,2,6,10,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM 4-AMINOSALICYLATE DIHYDRATE,006018-19-5,16211148,sodium;4-amino-2-hydroxybenzoate;dihydrate,C1=CC(=C(C=C1N)O)C(=O)[O-].O.O.[Na+],"InChI=1S/C7H7NO3.Na.2H2O/c8-4-1-2-5(7(10)11)6(9)3-4;;;/h1-3,9H,8H2,(H,10,11);;2*1H2/q;+1;;/p-1",GMUQJDAYXZXBOT-UHFFFAOYSA-M,C7H10NNaO5,211.15,211.0456667,,88.4,165,0,4,6,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HYDRATROPIC ACID,000492-37-5,10296,2-phenylpropanoic acid,CC(C1=CC=CC=C1)C(=O)O,"InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)",YPGCWEMNNLXISK-UHFFFAOYSA-N,C9H10O2,150.17,150.0680796,1.9,37.3,136,0,1,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHYL 3-AMINOBENZOATE,000582-33-2,11400,ethyl 3-aminobenzoate,CCOC(=O)C1=CC(=CC=C1)N,"InChI=1S/C9H11NO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2,10H2,1H3",ZMCBYSBVJIMENC-UHFFFAOYSA-N,C9H11NO2,165.19,165.0789786,1.8,52.3,159,0,1,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-HYDROXYBENZENESULFONAMIDE,000599-71-3,69033,N-hydroxybenzenesulfonamide,C1=CC=C(C=C1)S(=O)(=O)NO,"InChI=1S/C6H7NO3S/c8-7-11(9,10)6-4-2-1-3-5-6/h1-5,7-8H",BRMDATNYMUMZLN-UHFFFAOYSA-N,C6H7NO3S,173.19,173.0146643,0.5,74.8,200,0,2,4,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-(2-HYDROXYPHENYL)ACETAMIDE,000614-80-2,11972,N-(2-hydroxyphenyl)acetamide,CC(=O)NC1=CC=CC=C1O,"InChI=1S/C8H9NO2/c1-6(10)9-7-4-2-3-5-8(7)11/h2-5,11H,1H3,(H,9,10)",ADVGKWPZRIDURE-UHFFFAOYSA-N,C8H9NO2,151.16,151.0633285,0.7,49.3,147,0,2,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-NITRO-1,3-BENZENEDICARBOXYLIC ACID",000618-88-2,12069,"5-nitrobenzene-1,3-dicarboxylic acid",C1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O,"InChI=1S/C8H5NO6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)",NBDAHKQJXVLAID-UHFFFAOYSA-N,C8H5NO6,211.13,211.0116869,0.8,120,274,0,2,6,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BROMO-2-CHLOROBENZENE,000694-80-4,12754,1-bromo-2-chlorobenzene,C1=CC=C(C(=C1)Cl)Br,InChI=1S/C6H4BrCl/c7-5-3-1-2-4-6(5)8/h1-4H,QBELEDRHMPMKHP-UHFFFAOYSA-N,C6H4BrCl,191.45,189.91849,3.2,0,74,0,0,0,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-BROMO-2-HYDROXYBENZALDEHYDE,001761-61-1,72863,5-bromo-2-hydroxybenzaldehyde,C1=CC(=C(C=C1Br)C=O)O,"InChI=1S/C7H5BrO2/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10H",MKKSTJKBKNCMRV-UHFFFAOYSA-N,C7H5BrO2,201.02,199.94729,2.5,37.3,127,0,1,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-OCTYLBENZOIC ACID,003575-31-3,19147,4-octylbenzoic acid,CCCCCCCCC1=CC=C(C=C1)C(=O)O,"InChI=1S/C15H22O2/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)15(16)17/h9-12H,2-8H2,1H3,(H,16,17)",ZQLDNJKHLQOJGE-UHFFFAOYSA-N,C15H22O2,234.33,234.1619799,6.1,37.3,205,0,1,2,8,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-DIMETHOXYTOLUENE",004179-19-5,77844,"1,3-dimethoxy-5-methylbenzene",CC1=CC(=CC(=C1)OC)OC,"InChI=1S/C9H12O2/c1-7-4-8(10-2)6-9(5-7)11-3/h4-6H,1-3H3",RIZBLVRXRWHLFA-UHFFFAOYSA-N,C9H12O2,152.19,152.0837296,2.2,18.5,102,0,0,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-CHLORO-5-NITROBENZALDEHYDE,006361-21-3,72933,2-chloro-5-nitrobenzaldehyde,C1=CC(=C(C=C1[N+](=O)[O-])C=O)Cl,InChI=1S/C7H4ClNO3/c8-7-2-1-6(9(11)12)3-5(7)4-10/h1-4H,VFVHWCKUHAEDMY-UHFFFAOYSA-N,C7H4ClNO3,185.56,184.9879707,2,62.9,192,0,0,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-CHLORO-3-NITROBENZALDEHYDE,016588-34-4,85505,4-chloro-3-nitrobenzaldehyde,C1=CC(=C(C=C1C=O)[N+](=O)[O-])Cl,InChI=1S/C7H4ClNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-4H,HETBKLHJEWXWBM-UHFFFAOYSA-N,C7H4ClNO3,185.56,184.9879707,1.7,62.9,192,0,0,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
4-BROMOBENZYL ALCOHOL,873-75-6,70119,(4-bromophenyl)methanol,C1=CC(=CC=C1CO)Br,"InChI=1S/C7H7BrO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2",VEDDBHYQWFOITD-UHFFFAOYSA-N,C7H7BrO,187.03,185.96803,2,20.2,77,0,1,1,1,9,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
3-HYDROXYPHENETHYL ALCOHOL,013398-94-2,83404,3-(2-hydroxyethyl)phenol,C1=CC(=CC(=C1)O)CCO,"InChI=1S/C8H10O2/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,9-10H,4-5H2",AMQIPHZFLIDOCB-UHFFFAOYSA-N,C8H10O2,138.16,138.0680796,1.2,40.5,93,0,2,2,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-ACETYL-L-TYROSINAMIDE,001948-71-6,735956,(2S)-2-acetamido-3-(4-hydroxyphenyl)propanamide,CC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N,"InChI=1S/C11H14N2O3/c1-7(14)13-10(11(12)16)6-8-2-4-9(15)5-3-8/h2-5,10,15H,6H2,1H3,(H2,12,16)(H,13,14)/t10-/m0/s1",RJNKBEQRBIJDNM-JTQLQIEISA-N,C11H14N2O3,222.24,222.1004423,-0.9,92.4,260,0,3,3,4,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-(TRIMETHYLSILYL)PHENYLBORONIC ACID,017865-11-1,1710,(4-trimethylsilylphenyl)boronic acid,B(C1=CC=C(C=C1)[Si](C)(C)C)(O)O,"InChI=1S/C9H15BO2Si/c1-13(2,3)9-6-4-8(5-7-9)10(11)12/h4-7,11-12H,1-3H3",NRPZMSUGPMYBCQ-UHFFFAOYSA-N,C9H15BO2Si,194.11,194.0934364,,40.5,159,0,2,2,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-METHOXYPHENETHYL ALCOHOL,005020-41-7,78724,2-(3-methoxyphenyl)ethanol,COC1=CC=CC(=C1)CCO,"InChI=1S/C9H12O2/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7,10H,5-6H2,1H3",UPPGEJSCUZMCMW-UHFFFAOYSA-N,C9H12O2,152.19,152.0837296,1.9,29.5,104,0,1,2,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-DI-TERT-BUTYL-2-HYDROXYBENZALDEHYDE",037942-07-7,688023,"3,5-ditert-butyl-2-hydroxybenzaldehyde",CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C=O,"InChI=1S/C15H22O2/c1-14(2,3)11-7-10(9-16)13(17)12(8-11)15(4,5)6/h7-9,17H,1-6H3",RRIQVLZDOZPJTH-UHFFFAOYSA-N,C15H22O2,234.33,234.1619799,4.9,37.3,270,0,1,2,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N-[(1,1-DIMETHYLETHOXY)CARBONYL]-L-ASPARTIC ACID 1-(PHENYMETHYL)ESTER",030925-18-9,7017887,(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylmethoxybutanoic acid,CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C(=O)OCC1=CC=CC=C1,"InChI=1S/C16H21NO6/c1-16(2,3)23-15(21)17-12(9-13(18)19)14(20)22-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,18,19)/t12-/m0/s1",LDRWTKQWSXGSTM-LBPRGKRZSA-N,C16H21NO6,323.34,323.1368874,1.9,102,423,0,2,6,9,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-ALLYL-2,6-DIMETHOXYPHENOL",006627-88-9,226486,"2,6-dimethoxy-4-prop-2-enylphenol",COC1=CC(=CC(=C1O)OC)CC=C,"InChI=1S/C11H14O3/c1-4-5-8-6-9(13-2)11(12)10(7-8)14-3/h4,6-7,12H,1,5H2,2-3H3",FWMPKHMKIJDEMJ-UHFFFAOYSA-N,C11H14O3,194.23,194.0942943,2.6,38.7,167,0,1,3,4,14,,168.00 to 169.00 °C. @ 11.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"2,5-DIMETHOXYTEREPHTHALDEHYDE",007310-97-6,606648,"2,5-dimethoxyterephthalaldehyde",COC1=CC(=C(C=C1C=O)OC)C=O,"InChI=1S/C10H10O4/c1-13-9-3-8(6-12)10(14-2)4-7(9)5-11/h3-6H,1-2H3",YSIIHTHHMPYKFP-UHFFFAOYSA-N,C10H10O4,194.18,194.0579088,0.8,52.6,182,0,0,4,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-HYDROXY-2-NITROBENZYL ALCOHOL,060463-12-9,108946,3-(hydroxymethyl)-4-nitrophenol,C1=CC(=C(C=C1O)CO)[N+](=O)[O-],"InChI=1S/C7H7NO4/c9-4-5-3-6(10)1-2-7(5)8(11)12/h1-3,9-10H,4H2",ODWVFIWBWJXDMT-UHFFFAOYSA-N,C7H7NO4,169.13,169.0375077,1.2,86.3,167,0,2,4,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-HYDROXY-2-NITROBENZALDEHYDE,042454-06-8,39211,5-hydroxy-2-nitrobenzaldehyde,C1=CC(=C(C=C1O)C=O)[N+](=O)[O-],"InChI=1S/C7H5NO4/c9-4-5-3-6(10)1-2-7(5)8(11)12/h1-4,10H",XLYPHUGUKGMURE-UHFFFAOYSA-N,C7H5NO4,167.12,167.0218576,0.9,83.1,188,0,1,4,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-BROMO-3-NITROANISOLE,005344-78-5,79288,1-bromo-4-methoxy-2-nitrobenzene,COC1=CC(=C(C=C1)Br)[N+](=O)[O-],"InChI=1S/C7H6BrNO3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3",KCOBIBRGPCFIGF-UHFFFAOYSA-N,C7H6BrNO3,232.03,230.95311,2.5,55.1,171,0,0,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4,5-TRIMETHOXYPHENOL",000642-71-7,69505,"3,4,5-trimethoxyphenol",COC1=CC(=CC(=C1OC)OC)O,"InChI=1S/C9H12O4/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5,10H,1-3H3",VTCDZPUMZAZMSB-UHFFFAOYSA-N,C9H12O4,184.19,184.0735589,0.5,47.9,137,0,1,4,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-DIBROMO-2,5-BIS(DECYLOXY)BENZENE",152269-98-2,5156492,"1,4-dibromo-2,5-didecoxybenzene",CCCCCCCCCCOC1=CC(=C(C=C1Br)OCCCCCCCCCC)Br,"InChI=1S/C26H44Br2O2/c1-3-5-7-9-11-13-15-17-19-29-25-21-24(28)26(22-23(25)27)30-20-18-16-14-12-10-8-6-4-2/h21-22H,3-20H2,1-2H3",JFMBJLMINSDIQC-UHFFFAOYSA-N,C26H44Br2O2,548.4,548.16876,12.2,18.5,333,0,0,2,20,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHYL 5-BROMO-2-CHLOROBENZOATE,076008-73-6,144749,ethyl 5-bromo-2-chlorobenzoate,CCOC(=O)C1=C(C=CC(=C1)Br)Cl,"InChI=1S/C9H8BrClO2/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2H2,1H3",AMGWDYLEMSMUIO-UHFFFAOYSA-N,C9H8BrClO2,263.51,261.93962,3.8,26.3,186,0,0,2,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SINAPYL ALCOHOL,000537-33-7,5280507,"4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenol",COC1=CC(=CC(=C1O)OC)/C=C/CO,"InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+",LZFOPEXOUVTGJS-ONEGZZNKSA-N,C11H14O4,210.23,210.0892089,1.3,58.9,191,0,2,4,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4,5-TRIMETHOXYPHENYLBORONIC ACID",182163-96-8,2734390,"(3,4,5-trimethoxyphenyl)boronic acid",B(C1=CC(=C(C(=C1)OC)OC)OC)(O)O,"InChI=1S/C9H13BO5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5,11-12H,1-3H3",RULQUTYJXDLRFL-UHFFFAOYSA-N,C9H13BO5,212.01,212.0856037,,68.2,175,0,2,5,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3-DIMETHOXYBENZALDEHYDE",000086-51-1,66581,"2,3-dimethoxybenzaldehyde",COC1=CC=CC(=C1OC)C=O,"InChI=1S/C9H10O3/c1-11-8-5-3-4-7(6-10)9(8)12-2/h3-6H,1-2H3",JIVGSHFYXPRRSZ-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,1.1,35.5,147,0,0,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3,5,6-TETRAFLUOROTEREPHTHALIC ACID",000652-36-8,69549,"2,3,5,6-tetrafluoroterephthalic acid",C1(=C(C(=C(C(=C1F)F)C(=O)O)F)F)C(=O)O,"InChI=1S/C8H2F4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)",WFNRNCNCXRGUKN-UHFFFAOYSA-N,C8H2F4O4,238.09,237.9889212,1.4,74.6,264,0,2,8,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
L-TYROSINE HYDROCHLORIDE,016870-43-2,12209702,(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrochloride,C1=CC(=CC=C1C[C@@H](C(=O)O)N)O.Cl,"InChI=1S/C9H11NO3.ClH/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;/h1-4,8,11H,5,10H2,(H,12,13);1H/t8-;/m0./s1",JJWFIVDAMOFNPS-QRPNPIFTSA-N,C9H12ClNO3,217.65,217.0505709,,83.6,176,0,4,4,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3',5'-DIMETHOXYACETOPHENONE",039151-19-4,95997,"1-(3,5-dimethoxyphenyl)ethanone",CC(=O)C1=CC(=CC(=C1)OC)OC,"InChI=1S/C10H12O3/c1-7(11)8-4-9(12-2)6-10(5-8)13-3/h4-6H,1-3H3",YJKHOUIVWKQRSL-UHFFFAOYSA-N,C10H12O3,180.2,180.0786442,1.5,35.5,167,0,0,3,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIMETHYL(PHENYLETHYNYL)SILANE,002170-06-1,137464,trimethyl(2-phenylethynyl)silane,C[Si](C)(C)C#CC1=CC=CC=C1,"InChI=1S/C11H14Si/c1-12(2,3)10-9-11-7-5-4-6-8-11/h4-8H,1-3H3",UZIXCCMXZQWTPB-UHFFFAOYSA-N,C11H14Si,174.31,174.086477,,0,192,0,0,0,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-DIFLUOROBENZYL ALCOHOL",056456-47-4,91867,"(2,4-difluorophenyl)methanol",C1=CC(=C(C=C1F)F)CO,"InChI=1S/C7H6F2O/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2",NIJZBWHOHNWJBX-UHFFFAOYSA-N,C7H6F2O,144.12,144.0386711,1.4,20.2,108,0,1,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-BIS(METHOXYMETHYL)BENZENE",006770-38-3,81239,"1,4-bis(methoxymethyl)benzene",COCC1=CC=C(C=C1)COC,"InChI=1S/C10H14O2/c1-11-7-9-3-5-10(6-4-9)8-12-2/h3-6H,7-8H2,1-2H3",DAJPMKAQEUGECW-UHFFFAOYSA-N,C10H14O2,166.22,166.0993797,1.2,18.5,92,0,0,2,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,1,1
(R)-(-)-2-PHENYLGLYCINOL,056613-80-0,2724025,(2R)-2-amino-2-phenylethanol,C1=CC=C(C=C1)[C@H](CO)N,"InChI=1S/C8H11NO/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2/t8-/m0/s1",IJXJGQCXFSSHNL-QMMMGPOBSA-N,C8H11NO,137.18,137.084064,0.1,46.3,89,0,2,2,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-BIS(TRIFLUOROMETHYL)BENZOIC ACID",000725-89-3,12889,"3,5-bis(trifluoromethyl)benzoic acid",C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)O,"InChI=1S/C9H4F6O2/c10-8(11,12)5-1-4(7(16)17)2-6(3-5)9(13,14)15/h1-3H,(H,16,17)",HVFQJWGYVXKLTE-UHFFFAOYSA-N,C9H4F6O2,258.12,258.0115483,3.8,37.3,273,0,1,8,1,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-AMINOPHENYLBORONIC ACID,089415-43-0,2734615,(4-aminophenyl)boronic acid,B(C1=CC=C(C=C1)N)(O)O,"InChI=1S/C6H8BNO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H,8H2",MKPDAJWEBQRQCO-UHFFFAOYSA-N,C6H8BNO2,136.95,137.0648087,,66.5,102,0,3,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-BROMO-1,3-BIS(BROMOMETHYL)BENZENE",025006-88-6,621912,"2-bromo-1,3-bis(bromomethyl)benzene",C1=CC(=C(C(=C1)CBr)Br)CBr,"InChI=1S/C8H7Br3/c9-4-6-2-1-3-7(5-10)8(6)11/h1-3H,4-5H2",HSYMWXREIPJGHX-UHFFFAOYSA-N,C8H7Br3,342.85,341.80774,3.7,0,104,0,0,0,2,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-DIHYDROXYBENZENE-1,3,5-TRICARBALDEHYDE",058343-11-6,12412928,"2,4-dihydroxybenzene-1,3,5-tricarbaldehyde",C1=C(C(=C(C(=C1C=O)O)C=O)O)C=O,"InChI=1S/C9H6O5/c10-2-5-1-6(3-11)9(14)7(4-12)8(5)13/h1-4,13-14H",CEPNDKRJQPJVNM-UHFFFAOYSA-N,C9H6O5,194.14,194.0215233,0.7,91.7,219,0,2,5,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONAMIDE, 4-AMINO-N-(AMINOIMINOMETHYL)-",000057-67-0,5324,2-(4-aminophenyl)sulfonylguanidine,C1=CC(=CC=C1N)S(=O)(=O)N=C(N)N,"InChI=1S/C7H10N4O2S/c8-5-1-3-6(4-2-5)14(12,13)11-7(9)10/h1-4H,8H2,(H4,9,10,11)",BRBKOPJOKNSWSG-UHFFFAOYSA-N,C7H10N4O2S,214.25,214.0524468,-0.7,133,307,0,3,4,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzyl alcohol, alpha-(1-aminoethyl)-2,5-dimethoxy-, hydrochloride",000061-16-5,57333099,"(1R,2S)-2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol;hydrochloride",C[C@@H]([C@@H](C1=C(C=CC(=C1)OC)OC)O)N.Cl,"InChI=1S/C11H17NO3.ClH/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3;/h4-7,11,13H,12H2,1-3H3;1H/t7-,11-;/m0./s1",YGRFXPCHZBRUKP-WJRQTEJMSA-N,C11H18ClNO3,247.72,247.0975211,,64.7,189,0,3,4,4,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEACETIC ACID, 2-METHOXY-",000093-25-4,7134,2-(2-methoxyphenyl)acetic acid,COC1=CC=CC=C1CC(=O)O,"InChI=1S/C9H10O3/c1-12-8-5-3-2-4-7(8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)",IVEWTCACRDEAOB-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,1.5,46.5,156,0,1,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONAMIDE, 4-CHLORO-3-NITRO-",000097-09-6,7324,4-chloro-3-nitrobenzenesulfonamide,C1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])Cl,"InChI=1S/C6H5ClN2O4S/c7-5-2-1-4(14(8,12)13)3-6(5)9(10)11/h1-3H,(H2,8,12,13)",SPZGXONNVLTQDE-UHFFFAOYSA-N,C6H5ClN2O4S,236.63,235.9658555,0.8,114,320,0,1,5,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-AMINO-4-(METHYLSULFONYL)PHENOL,000098-30-6,7382,2-amino-4-methylsulfonylphenol,CS(=O)(=O)C1=CC(=C(C=C1)O)N,"InChI=1S/C7H9NO3S/c1-12(10,11)5-2-3-7(9)6(8)4-5/h2-4,9H,8H2,1H3",SFLMBHYNCSYPOO-UHFFFAOYSA-N,C7H9NO3S,187.22,187.0303143,0.4,88.8,244,0,2,4,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANENITRILE, 3-[ETHYL(4-FORMYL-3-METHYLPHENYL)AMINO]-",000119-97-1,67078,3-(N-ethyl-4-formyl-3-methylanilino)propanenitrile,CCN(CCC#N)C1=CC(=C(C=C1)C=O)C,"InChI=1S/C13H16N2O/c1-3-15(8-4-7-14)13-6-5-12(10-16)11(2)9-13/h5-6,9-10H,3-4,8H2,1-2H3",VTXVKMVZEXXUIC-UHFFFAOYSA-N,C13H16N2O,216.28,216.1262631,1.9,44.1,268,0,0,3,5,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZALDEHYDE, 4-ETHOXY-3-METHOXY-",000120-25-2,67116,4-ethoxy-3-methoxybenzaldehyde,CCOC1=C(C=C(C=C1)C=O)OC,"InChI=1S/C10H12O3/c1-3-13-9-5-4-8(7-11)6-10(9)12-2/h4-7H,3H2,1-2H3",BERFDQAMXIBOHM-UHFFFAOYSA-N,C10H12O3,180.2,180.0786442,1.7,35.5,158,0,0,3,4,13,,288.00 to 289.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-BUTEN-2-ONE, 4-PHENYL-",000122-57-6,15909,4-phenylbut-3-en-2-one,CC(=O)C=CC1=CC=CC=C1,"InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3",BWHOZHOGCMHOBV-UHFFFAOYSA-N,C10H10O,146.19,146.0731649,2.1,17.1,152,0,0,1,2,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"BENZOIC ACID, 4-AMINO-2-HYDROXY-, MONOSODIUM SALT",000133-10-8,2724368,sodium 4-amino-2-hydroxybenzoate,C1=CC(=C(C=C1N)O)C(=O)[O-].[Na+],"InChI=1S/C7H7NO3.Na/c8-4-1-2-5(7(10)11)6(9)3-4;/h1-3,9H,8H2,(H,10,11);/q;+1/p-1",FVVDKUPCWXUVNP-UHFFFAOYSA-M,C7H6NNaO3,175.12,175.0245373,,86.4,165,0,2,4,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"L-TYROSINE, 3,5-DIIODO-",000300-39-0,9305,"(2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid",C1=C(C=C(C(=C1I)O)I)C[C@@H](C(=O)O)N,"InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1",NYPYHUZRZVSYKL-ZETCQYMHSA-N,C9H9I2NO3,432.98,432.86719,-0.5,83.6,227,0,3,4,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANONE, 1-(2,4-DIFLUOROPHENYL)-",000364-83-0,67770,"1-(2,4-difluorophenyl)ethanone",CC(=O)C1=C(C=C(C=C1)F)F,"InChI=1S/C8H6F2O/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,1H3",QEWHNJPLPZOEKU-UHFFFAOYSA-N,C8H6F2O,156.13,156.0386711,1.8,17.1,158,0,0,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, N-(4-CHLOROPHENYL)-",000539-03-7,10871,N-(4-chlorophenyl)acetamide,CC(=O)NC1=CC=C(C=C1)Cl,"InChI=1S/C8H8ClNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)",GGUOCFNAWIODMF-UHFFFAOYSA-N,C8H8ClNO,169.61,169.0294416,2.1,29.1,141,0,1,1,1,11,,333 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-BUTANONE, 3-METHYL-1-PHENYL-",000582-62-7,68493,3-methyl-1-phenylbutan-1-one,CC(C)CC(=O)C1=CC=CC=C1,"InChI=1S/C11H14O/c1-9(2)8-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3",HEOVGVNITGAUKL-UHFFFAOYSA-N,C11H14O,162.23,162.1044651,3,17.1,143,0,0,1,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-HYDROXY-, PROPYL ESTER",000607-90-9,69092,propyl 2-hydroxybenzoate,CCCOC(=O)C1=CC=CC=C1O,"InChI=1S/C10H12O3/c1-2-7-13-10(12)8-5-3-4-6-9(8)11/h3-6,11H,2,7H2,1H3",LZFIOSVZIQOVFW-UHFFFAOYSA-N,C10H12O3,180.2,180.0786442,3.8,46.5,168,0,1,3,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENEACETIC ACID, 2,4-DIHYDROXY-",000614-82-4,69199,"2-(2,4-dihydroxyphenyl)acetic acid",C1=CC(=C(C=C1O)O)CC(=O)O,"InChI=1S/C8H8O4/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4,9-10H,3H2,(H,11,12)",FSQDURCMBCGCIK-UHFFFAOYSA-N,C8H8O4,168.15,168.0422587,0.5,77.8,168,0,3,4,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1,2,4-TRIBROMO-",000615-54-3,12002,"1,2,4-tribromobenzene",C1=CC(=C(C=C1Br)Br)Br,InChI=1S/C6H3Br3/c7-4-1-2-5(8)6(9)3-4/h1-3H,FWAJPSIPOULHHH-UHFFFAOYSA-N,C6H3Br3,314.8,313.77644,4.3,0,94,0,0,0,0,9,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-AMINO-4-NITRO-",000619-17-0,12076,2-amino-4-nitrobenzoic acid,C1=CC(=C(C=C1[N+](=O)[O-])N)C(=O)O,"InChI=1S/C7H6N2O4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3H,8H2,(H,10,11)",UEALKTCRMBVTFN-UHFFFAOYSA-N,C7H6N2O4,182.13,182.0327567,1.9,109,225,0,2,5,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 4-ETHOXY-",000619-86-3,12093,4-ethoxybenzoic acid,CCOC1=CC=C(C=C1)C(=O)O,"InChI=1S/C9H10O3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11)",SHSGDXCJYVZFTP-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,2.4,46.5,148,0,1,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 3-ETHOXY-",000621-34-1,69306,3-ethoxyphenol,CCOC1=CC=CC(=C1)O,"InChI=1S/C8H10O2/c1-2-10-8-5-3-4-7(9)6-8/h3-6,9H,2H2,1H3",VBIKLMJHBGFTPV-UHFFFAOYSA-N,C8H10O2,138.16,138.0680796,2,29.5,93,0,1,2,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ACETAMIDE, N-(3-HYDROXYPHENYL)-",000621-42-1,12124,N-(3-hydroxyphenyl)acetamide,CC(=O)NC1=CC(=CC=C1)O,"InChI=1S/C8H9NO2/c1-6(10)9-7-3-2-4-8(11)5-7/h2-5,11H,1H3,(H,9,10)",QLNWXBAGRTUKKI-UHFFFAOYSA-N,C8H9NO2,151.16,151.0633285,0.7,49.3,147,0,2,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, 3-(1,1,2,2-TETRAFLUOROETHOXY)-",000831-75-4,70023,"3-(1,1,2,2-tetrafluoroethoxy)aniline",C1=CC(=CC(=C1)OC(C(F)F)(F)F)N,"InChI=1S/C8H7F4NO/c9-7(10)8(11,12)14-6-3-1-2-5(13)4-6/h1-4,7H,13H2",MWDPEBMCVXNSPL-UHFFFAOYSA-N,C8H7F4NO,209.14,209.0463765,2.8,35.3,188,0,1,6,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-BUTENOIC ACID, 3-PHENYL-",001199-20-8,5354661,(E)-3-phenylbut-2-enoic acid,C/C(=C\C(=O)O)/C1=CC=CC=C1,"InChI=1S/C10H10O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)/b8-7+",PEXWJYDPDXUVSV-BQYQJAHWSA-N,C10H10O2,162.18,162.0680796,2.5,37.3,188,0,1,2,2,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHOROUS ACID, DIDECYL PHENYL ESTER",001254-78-0,14741,didecyl phenyl phosphite,CCCCCCCCCCOP(OCCCCCCCCCC)OC1=CC=CC=C1,"InChI=1S/C26H47O3P/c1-3-5-7-9-11-13-15-20-24-27-30(29-26-22-18-17-19-23-26)28-25-21-16-14-12-10-8-6-4-2/h17-19,22-23H,3-16,20-21,24-25H2,1-2H3",NMAKPIATXQEXBT-UHFFFAOYSA-N,C26H47O3P,438.6,438.3262824,10.9,27.7,312,0,0,3,22,30,"425 °F, OC",,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"BENZALDEHYDE, 2-CHLORO-4-(DIMETHYLAMINO)-",001424-66-4,74021,2-chloro-4-(dimethylamino)benzaldehyde,CN(C)C1=CC(=C(C=C1)C=O)Cl,"InChI=1S/C9H10ClNO/c1-11(2)8-4-3-7(6-12)9(10)5-8/h3-6H,1-2H3",XSQFAWMDRFSIMY-UHFFFAOYSA-N,C9H10ClNO,183.63,183.0450916,2.1,20.3,161,0,0,2,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPEN-1-OL, 2-METHYL-3-PHENYL-",001504-55-8,560879,2-methyl-3-phenylprop-2-en-1-ol,CC(=CC1=CC=CC=C1)CO,"InChI=1S/C10H12O/c1-9(8-11)7-10-5-3-2-4-6-10/h2-7,11H,8H2,1H3",LLNAMUJRIZIXHF-UHFFFAOYSA-N,C10H12O,148.2,148.088815,2.3,20.2,132,0,1,1,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, (TRIETHOXYMETHYL)-",001663-61-2,74268,triethoxymethylbenzene,CCOC(C1=CC=CC=C1)(OCC)OCC,"InChI=1S/C13H20O3/c1-4-14-13(15-5-2,16-6-3)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3",BQFPCTXLBRVFJL-UHFFFAOYSA-N,C13H20O3,224.3,224.1412445,2.4,27.7,159,0,0,3,7,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-HEPTANONE, 1-PHENYL-",001671-75-6,74282,1-phenylheptan-1-one,CCCCCCC(=O)C1=CC=CC=C1,"InChI=1S/C13H18O/c1-2-3-4-8-11-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3",UXMQORVHJMUQFD-UHFFFAOYSA-N,C13H18O,190.28,190.1357652,4.1,17.1,157,0,0,1,6,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANONE, 1-(4-ETHOXYPHENYL)-",001676-63-7,72872,1-(4-ethoxyphenyl)ethanone,CCOC1=CC=C(C=C1)C(=O)C,"InChI=1S/C10H12O2/c1-3-12-10-6-4-9(5-7-10)8(2)11/h4-7H,3H2,1-2H3",YJFNFQHMQJCPRG-UHFFFAOYSA-N,C10H12O2,164.2,164.0837296,2.1,26.3,146,0,0,2,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEACETIC ACID, .ALPHA.-METHOXY-",001701-77-5,107202,2-methoxy-2-phenylacetic acid,COC(C1=CC=CC=C1)C(=O)O,"InChI=1S/C9H10O3/c1-12-8(9(10)11)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,10,11)",DIWVBIXQCNRCFE-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,1.4,46.5,150,0,1,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEACETIC ACID, 2,5-DIMETHOXY-",001758-25-4,74469,"2-(2,5-dimethoxyphenyl)acetic acid",COC1=CC(=C(C=C1)OC)CC(=O)O,"InChI=1S/C10H12O4/c1-13-8-3-4-9(14-2)7(5-8)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)",BBZDYQUXRFATHZ-UHFFFAOYSA-N,C10H12O4,196.2,196.0735589,1.3,55.8,193,0,1,4,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-BENZENEDICARBOPEROXOIC ACID, BIS(1,1-DIMETHYLETHYL) ESTER",002155-71-7,238957,"ditert-butyl benzene-1,2-dicarboperoxoate",CC(C)(C)OOC(=O)C1=CC=CC=C1C(=O)OOC(C)(C)C,"InChI=1S/C16H22O6/c1-15(2,3)21-19-13(17)11-9-7-8-10-12(11)14(18)20-22-16(4,5)6/h7-10H,1-6H3",QZYRMODBFHTNHF-UHFFFAOYSA-N,C16H22O6,310.34,310.1416384,3.6,71.1,352,0,0,6,8,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-PROPANONE, 1-(2,4,6-TRIHYDROXYPHENYL)-",002295-58-1,3362,"1-(2,4,6-trihydroxyphenyl)propan-1-one",CCC(=O)C1=C(C=C(C=C1O)O)O,"InChI=1S/C9H10O4/c1-2-6(11)9-7(12)3-5(10)4-8(9)13/h3-4,10,12-13H,2H2,1H3",PTHLEKANMPKYDB-UHFFFAOYSA-N,C9H10O4,182.17,182.0579088,1.6,77.8,180,0,3,4,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-PROPENOIC ACID, PHENYLMETHYL ESTER",002495-35-4,75617,benzyl prop-2-enoate,C=CC(=O)OCC1=CC=CC=C1,"InChI=1S/C10H10O2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h2-7H,1,8H2",GCTPMLUUWLLESL-UHFFFAOYSA-N,C10H10O2,162.18,162.0680796,2.6,26.3,157,0,0,2,4,12,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"BENZOIC ACID, 2,4-DIHYDROXY-6-METHYL-, ETHYL ESTER",002524-37-0,75653,"ethyl 2,4-dihydroxy-6-methylbenzoate",CCOC(=O)C1=C(C=C(C=C1C)O)O,"InChI=1S/C10H12O4/c1-3-14-10(13)9-6(2)4-7(11)5-8(9)12/h4-5,11-12H,3H2,1-2H3",UQSRXQMIXSZGLA-UHFFFAOYSA-N,C10H12O4,196.2,196.0735589,2.3,66.8,204,0,2,4,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANEDIOIC ACID, PHENYL-",002613-89-0,75791,2-phenylpropanedioic acid,C1=CC=C(C=C1)C(C(=O)O)C(=O)O,"InChI=1S/C9H8O4/c10-8(11)7(9(12)13)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)(H,12,13)",WWYDYZMNFQIYPT-UHFFFAOYSA-N,C9H8O4,180.16,180.0422587,1.2,74.6,192,0,2,4,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONIC ACID, 2,4-DIAMINO-, MONOSODIUM SALT",003177-22-8,23678866,"sodium 2,4-diaminobenzenesulfonate",C1=CC(=C(C=C1N)N)S(=O)(=O)[O-].[Na+],"InChI=1S/C6H8N2O3S.Na/c7-4-1-2-6(5(8)3-4)12(9,10)11;/h1-3H,7-8H2,(H,9,10,11);/q;+1/p-1",WYSWTEPAYPNWDV-UHFFFAOYSA-M,C6H7N2NaO3S,210.19,210.0075076,,118,251,0,2,5,1,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZOIC ACID, 3,5-DIBROMO-4-HYDROXY-",003337-62-0,76857,"3,5-dibromo-4-hydroxybenzoic acid",C1=C(C=C(C(=C1Br)O)Br)C(=O)O,"InChI=1S/C7H4Br2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)",PHWAJJWKNLWZGJ-UHFFFAOYSA-N,C7H4Br2O3,295.91,295.85067,3.3,57.5,173,0,2,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SILANAMINE, 1,1,1-TRIMETHYL-N-PHENYL-",003768-55-6,77381,N-trimethylsilylaniline,C[Si](C)(C)NC1=CC=CC=C1,"InChI=1S/C9H15NSi/c1-11(2,3)10-9-7-5-4-6-8-9/h4-8,10H,1-3H3",IPJPAQIHUIKFLV-UHFFFAOYSA-N,C9H15NSi,165.31,165.097376,,12,111,0,1,1,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, 2-BROMO-N-(2-HYDROXY-5-NITROPHENYL)-",003947-58-8,4089912,2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide,C1=CC(=C(C=C1[N+](=O)[O-])NC(=O)CBr)O,"InChI=1S/C8H7BrN2O4/c9-4-8(13)10-6-3-5(11(14)15)1-2-7(6)12/h1-3,12H,4H2,(H,10,13)",STWBNOBMOCQPLR-UHFFFAOYSA-N,C8H7BrN2O4,275.06,273.95892,1.4,95.2,256,0,2,4,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-PENTANEDIONE, 3-(PHENYLMETHYLENE)-",004335-90-4,95782,"3-benzylidenepentane-2,4-dione",CC(=O)C(=CC1=CC=CC=C1)C(=O)C,"InChI=1S/C12H12O2/c1-9(13)12(10(2)14)8-11-6-4-3-5-7-11/h3-8H,1-2H3",NYRGMNMVISROGJ-UHFFFAOYSA-N,C12H12O2,188.22,188.0837296,1.6,34.1,241,0,0,2,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEACETIC ACID, .ALPHA.-HYDROXY-, METHYL ESTER, (.+-.)-",004358-87-6,78066,methyl 2-hydroxy-2-phenylacetate,COC(=O)C(C1=CC=CC=C1)O,"InChI=1S/C9H10O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8,10H,1H3",ITATYELQCJRCCK-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,1.2,46.5,150,0,1,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEACETALDEHYDE, .ALPHA.-ETHYLIDENE-",004411-89-6,20446,2-phenylbut-2-enal,CC=C(C=O)C1=CC=CC=C1,"InChI=1S/C10H10O/c1-2-9(8-11)10-6-4-3-5-7-10/h2-8H,1H3",DYAOGZLLMZQVHY-UHFFFAOYSA-N,C10H10O,146.19,146.0731649,2.2,17.1,152,0,0,1,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"L-SERINE, O-(PHENYLMETHYL)-",004726-96-9,78457,(2S)-2-amino-3-phenylmethoxypropanoic acid,C1=CC=C(C=C1)COC[C@@H](C(=O)O)N,"InChI=1S/C10H13NO3/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1",IDGQXGPQOGUGIX-VIFPVBQESA-N,C10H13NO3,195.21,195.0895433,-2,72.6,178,0,2,4,5,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2,3,4,5-TETRACHLORO-6-CYANO-, METHYL ESTER",005358-06-5,79319,"methyl 2,3,4,5-tetrachloro-6-cyanobenzoate",COC(=O)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C#N,InChI=1S/C9H3Cl4NO2/c1-16-9(15)4-3(2-14)5(10)7(12)8(13)6(4)11/h1H3,XYQXGZLLGNQFSL-UHFFFAOYSA-N,C9H3Cl4NO2,298.9,298.888839,4,50.1,329,0,0,3,2,16,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"1,3-BENZENEDIOL, 4,6-BIS(1,1-DIMETHYLETHYL)-",005374-06-1,79337,"4,6-ditert-butylbenzene-1,3-diol",CC(C)(C)C1=CC(=C(C=C1O)O)C(C)(C)C,"InChI=1S/C14H22O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)8-11(9)15/h7-8,15-16H,1-6H3",KJFMXIXXYWHFAN-UHFFFAOYSA-N,C14H22O2,222.32,222.1619799,4.6,40.5,210,0,2,2,2,16,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-PROPANONE, 1-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-",005650-43-1,79735,"1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one",CCC(=O)C1=CC(=C(C(=C1)OC)O)OC,"InChI=1S/C11H14O4/c1-4-8(12)7-5-9(14-2)11(13)10(6-7)15-3/h5-6,13H,4H2,1-3H3",CXCPJZXJNRBTGF-UHFFFAOYSA-N,C11H14O4,210.23,210.0892089,0.7,55.8,203,0,1,4,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"METHANIMIDIC ACID, N-PHENYL-, ETHYL ESTER",006780-49-0,111236,ethyl N-phenylmethanimidate,CCOC=NC1=CC=CC=C1,"InChI=1S/C9H11NO/c1-2-11-8-10-9-6-4-3-5-7-9/h3-8H,2H2,1H3",DRDBNKYFCOLNQO-UHFFFAOYSA-N,C9H11NO,149.19,149.084064,2.3,21.6,117,0,0,2,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 4-(HEPTYLOXY)-",013037-86-0,25641,4-heptoxyphenol,CCCCCCCOC1=CC=C(C=C1)O,"InChI=1S/C13H20O2/c1-2-3-4-5-6-11-15-13-9-7-12(14)8-10-13/h7-10,14H,2-6,11H2,1H3",HZBABTUFXQLADL-UHFFFAOYSA-N,C13H20O2,208.3,208.1463299,4.6,29.5,139,0,1,2,7,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SILANE, TRIMETHYL[(1-PHENYLETHENYL)OXY]-",013735-81-4,117406,trimethyl(1-phenylethenoxy)silane,C[Si](C)(C)OC(=C)C1=CC=CC=C1,"InChI=1S/C11H16OSi/c1-10(12-13(2,3)4)11-8-6-5-7-9-11/h5-9H,1H2,2-4H3",AFFPCIMDERUIST-UHFFFAOYSA-N,C11H16OSi,192.33,192.0970417,,9.2,175,0,0,1,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 2,4-DIMETHYL-6-NITRO-",014452-34-7,84450,"2,4-dimethyl-6-nitrophenol",CC1=CC(=C(C(=C1)[N+](=O)[O-])O)C,"InChI=1S/C8H9NO3/c1-5-3-6(2)8(10)7(4-5)9(11)12/h3-4,10H,1-2H3",KJRCHILWKQLEBC-UHFFFAOYSA-N,C8H9NO3,167.16,167.0582431,2.7,66.1,178,0,1,3,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANAMINIUM, N,N,N-TRIETHYL-, BENZOATE",016909-22-1,85637,tetraethylazanium benzoate,CC[N+](CC)(CC)CC.C1=CC=C(C=C1)C(=O)[O-],"InChI=1S/C8H20N.C7H6O2/c1-5-9(6-2,7-3)8-4;8-7(9)6-4-2-1-3-5-6/h5-8H2,1-4H3;1-5H,(H,8,9)/q+1;/p-1",CIFIGXMZHITUAZ-UHFFFAOYSA-M,C15H25NO2,251.36,251.188529,,40.1,145,0,0,2,4,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-METHYLEPHEDRINE,017605-71-9,4374,2-(dimethylamino)-1-phenylpropan-1-ol,CC(C(C1=CC=CC=C1)O)N(C)C,"InChI=1S/C11H17NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3",FMCGSUUBYTWNDP-UHFFFAOYSA-N,C11H17NO,179.26,179.1310142,1.7,23.5,141,0,1,2,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzeneacetic acid, 4-(acetylamino)-",018699-02-0,2018,2-(4-acetamidophenyl)acetic acid,CC(=O)NC1=CC=C(C=C1)CC(=O)O,"InChI=1S/C10H11NO3/c1-7(12)11-9-4-2-8(3-5-9)6-10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)",MROJXXOCABQVEF-UHFFFAOYSA-N,C10H11NO3,193.2,193.0738932,0.8,66.4,219,0,2,3,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1-BROMO-3,5-DICHLORO-",019752-55-7,29766,"1-bromo-3,5-dichlorobenzene",C1=C(C=C(C=C1Cl)Br)Cl,InChI=1S/C6H3BrCl2/c7-4-1-5(8)3-6(9)2-4/h1-3H,DZHFFMWJXJBBRG-UHFFFAOYSA-N,C6H3BrCl2,225.89,223.87952,4.3,0,87,0,0,0,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-HYDROXY-3-METHYL-, METHYL ESTER",023287-26-5,31835,methyl 2-hydroxy-3-methylbenzoate,CC1=C(C(=CC=C1)C(=O)OC)O,"InChI=1S/C9H10O3/c1-6-4-3-5-7(8(6)10)9(11)12-2/h3-5,10H,1-2H3",SUHLUMKZPUMAFP-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,3.2,46.5,167,0,1,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"L-SERINE, N-[(1,1-DIMETHYLETHOXY)CARBONYL]-O-(PHENYLMETHYL)-",023680-31-1,90234,(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoic acid,CC(C)(C)OC(=O)N[C@@H](COCC1=CC=CC=C1)C(=O)O,"InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(13(17)18)10-20-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m0/s1",DMBKPDOAQVGTST-LBPRGKRZSA-N,C15H21NO5,295.33,295.1419728,1.9,84.9,344,0,2,5,8,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-BENZENEDICARBOXYLIC ACID, 3,4,5,6-TETRABROMO-, DISODIUM SALT",025357-79-3,117450,"disodium;3,4,5,6-tetrabromophthalate",C1(=C(C(=C(C(=C1Br)Br)Br)Br)C(=O)[O-])C(=O)[O-].[Na+].[Na+],"InChI=1S/C8H2Br4O4.2Na/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11;;/h(H,13,14)(H,15,16);;/q;2*+1/p-2",UTNQAECQSKUEGD-UHFFFAOYSA-L,C8Br4Na2O4,525.68,525.62845,,80.3,269,0,0,4,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 2,4-DICHLORO-1,3-DINITRO-5-(TRIFLUOROMETHYL)-",029091-09-6,94398,"2,4-dichloro-1,3-dinitro-5-(trifluoromethyl)benzene",C1=C(C(=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])Cl)C(F)(F)F,"InChI=1S/C7HCl2F3N2O4/c8-4-2(7(10,11)12)1-3(13(15)16)5(9)6(4)14(17)18/h1H",DPQYRXNRGNLPFC-UHFFFAOYSA-N,C7HCl2F3N2O4,304.99,303.9265464,3.7,91.6,356,0,0,7,0,18,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"ACETIC ACID, IODO-, 4-NITROPHENYL ESTER",031252-85-4,160197,(4-nitrophenyl) 2-iodoacetate,C1=CC(=CC=C1[N+](=O)[O-])OC(=O)CI,"InChI=1S/C8H6INO4/c9-5-8(11)14-7-3-1-6(2-4-7)10(12)13/h1-4H,5H2",GERXSZLDSOPHJV-UHFFFAOYSA-N,C8H6INO4,307.04,306.93416,2.2,72.1,220,0,0,4,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 4-HEPTYL-",038350-87-7,170036,4-heptylbenzoic acid,CCCCCCCC1=CC=C(C=C1)C(=O)O,"InChI=1S/C14H20O2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11H,2-7H2,1H3,(H,15,16)",VSUKEWPHURLYTK-UHFFFAOYSA-N,C14H20O2,220.31,220.1463299,5.6,37.3,193,0,1,2,7,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"SILANE, TRIMETHOXY(2-PHENYLETHYL)-",049539-88-0,170789,trimethoxy(2-phenylethyl)silane,CO[Si](CCC1=CC=CC=C1)(OC)OC,"InChI=1S/C11H18O3Si/c1-12-15(13-2,14-3)10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3",UBMUZYGBAGFCDF-UHFFFAOYSA-N,C11H18O3Si,226.34,226.102521,,27.7,157,0,0,3,6,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEACETIC ACID, .ALPHA.-METHOXY-, SODIUM SALT, (.+-.)-",063450-88-4,23687864,sodium 2-methoxy-2-phenylacetate,COC(C1=CC=CC=C1)C(=O)[O-].[Na+],"InChI=1S/C9H10O3.Na/c1-12-8(9(10)11)7-5-3-2-4-6-7;/h2-6,8H,1H3,(H,10,11);/q;+1/p-1",NRZBUZXERCBSTA-UHFFFAOYSA-M,C9H9NaO3,188.16,188.0449384,,49.4,155,0,0,3,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEACETIC ACID, .ALPHA.,4-DIHYDROXY-, ETHYL ESTER",068758-68-9,111357,ethyl 2-hydroxy-2-(4-hydroxyphenyl)acetate,CCOC(=O)C(C1=CC=C(C=C1)O)O,"InChI=1S/C10H12O4/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6,9,11-12H,2H2,1H3",VLOUFSKXRCPIQR-UHFFFAOYSA-N,C10H12O4,196.2,196.0735589,1.2,66.8,185,0,2,4,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BESTATIN HYDROCHLORIDE,065391-42-6,11957481,"(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acid;hydrochloride",CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](CC1=CC=CC=C1)N)O.Cl,"InChI=1S/C16H24N2O4.ClH/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11;/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22);1H/t12-,13+,14+;/m1./s1",XGDFITZJGKUSDK-UDYGKFQRSA-N,C16H25ClN2O4,344.8,344.150285,,113,367,0,5,5,8,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-IODOBENZALDEHYDE,,643439,2-iodobenzaldehyde,C1=CC=C(C(=C1)C=O)I,InChI=1S/C7H5IO/c8-7-4-2-1-3-6(7)5-9/h1-5H,WWKKTHALZAYYAI-UHFFFAOYSA-N,C7H5IO,232.02,231.93851,2.4,17.1,103,0,0,1,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-PROPYL P-HYDROXYBENZOATE,000094-13-3,7175,propyl 4-hydroxybenzoate,CCCOC(=O)C1=CC=C(C=C1)O,"InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3",QELSKZZBTMNZEB-UHFFFAOYSA-N,C10H12O3,180.2,180.0786442,3,46.5,160,0,1,3,4,13,,"271 °F at 1 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
P-TERT-BUTYLPHENOL,000098-54-4,7393,4-tert-butylphenol,CC(C)(C)C1=CC=C(C=C1)O,"InChI=1S/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3",QHPQWRBYOIRBIT-UHFFFAOYSA-N,C10H14O,150.22,150.1044651,3.3,20.2,115,0,1,1,1,11,"235 °F (NTP, 1992)","463.1 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,0
SULFANILIC ACID,000121-57-3,8479,4-aminobenzenesulfonic acid,C1=CC(=CC=C1N)S(=O)(=O)O,"InChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)",HVBSAKJJOYLTQU-UHFFFAOYSA-N,C6H7NO3S,173.19,173.0146643,-0.6,88.8,210,0,2,4,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"Hydrocinnamic acid, alpha-hydrazino-3,4-dihydroxy-alpha-methyl-, L-",028860-95-9,34359,"(2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid",C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)NN,"InChI=1S/C10H14N2O4/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6/h2-4,12-14H,5,11H2,1H3,(H,15,16)/t10-/m0/s1",TZFNLOMSOLWIDK-JTQLQIEISA-N,C10H14N2O4,226.23,226.0953569,-2.2,116,261,0,5,6,4,16,,Decomposes,0,0,0,0,0,1,0,1,0,0,0,0,0,1,0,0,1,0,0,1
SODIUM DIATRIZOATE,000737-31-5,23672589,"sodium 3,5-diacetamido-2,4,6-triiodobenzoate",CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)NC(=O)C)I.[Na+],"InChI=1S/C11H9I3N2O4.Na/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18;/h1-2H3,(H,15,17)(H,16,18)(H,19,20);/q;+1/p-1",ZEYOIOAKZLALAP-UHFFFAOYSA-M,C11H8I3N2NaO4,635.89,635.7516,,98.3,396,0,2,4,3,21,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"5-AMINO-2,4,6-TRIODOISOPHTHALIC ACID",035453-19-1,3015783,"5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid",C1(=C(C(=C(C(=C1I)N)I)C(=O)O)I)C(=O)O,"InChI=1S/C8H4I3NO4/c9-3-1(7(13)14)4(10)6(12)5(11)2(3)8(15)16/h12H2,(H,13,14)(H,15,16)",JEZJSNULLBSYHV-UHFFFAOYSA-N,C8H4I3NO4,558.83,558.7275,2.2,101,286,0,3,5,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0
3-(2-HYDROXYETHOXY)BENZALDEHYDE,060345-97-3,6453965,3-(2-hydroxyethoxy)benzaldehyde,C1=CC(=CC(=C1)OCCO)C=O,"InChI=1S/C9H10O3/c10-4-5-12-9-3-1-2-8(6-9)7-11/h1-3,6-7,10H,4-5H2",LIUCHRXQRHVSJI-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,0.7,46.5,136,0,1,3,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"BENZOIC ACID, 2-[(7-HYDROXY-3,7-DIMETHYLOCTYLIDENE)AMINO]-, METHYL ESTER",000089-43-0,98118,"methyl 2-[(7-hydroxy-3,7-dimethyloctylidene)amino]benzoate",CC(CCCC(C)(C)O)CC=NC1=CC=CC=C1C(=O)OC,"InChI=1S/C18H27NO3/c1-14(8-7-12-18(2,3)21)11-13-19-16-10-6-5-9-15(16)17(20)22-4/h5-6,9-10,13-14,21H,7-8,11-12H2,1-4H3",BFBPISPWJZMWJN-UHFFFAOYSA-N,C18H27NO3,305.4,305.1990937,3.3,58.9,365,0,1,4,9,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENE, (2-METHOXYETHENYL)-",004747-15-3,5368493,[(E)-2-methoxyethenyl]benzene,CO/C=C/C1=CC=CC=C1,"InChI=1S/C9H10O/c1-10-8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7+",CTHJQRHPNQEPAB-BQYQJAHWSA-N,C9H10O,134.17,134.0731649,2.2,9.2,101,0,0,1,2,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZAMIDE, 4-CHLORO-3-NITRO-",016588-06-0,27942,4-chloro-3-nitrobenzamide,C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])Cl,"InChI=1S/C7H5ClN2O3/c8-5-2-1-4(7(9)11)3-6(5)10(12)13/h1-3H,(H2,9,11)",CGXRJCDXGJRBHV-UHFFFAOYSA-N,C7H5ClN2O3,200.58,199.9988697,1.1,88.9,228,0,1,3,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"2-PROPENOIC ACID, 2-METHYL-, 2-HYDROXY-3-PHENOXYPROPYL ESTER",016926-87-7,86093,(2-hydroxy-3-phenoxypropyl) 2-methylprop-2-enoate,CC(=C)C(=O)OCC(COC1=CC=CC=C1)O,"InChI=1S/C13H16O4/c1-10(2)13(15)17-9-11(14)8-16-12-6-4-3-5-7-12/h3-7,11,14H,1,8-9H2,2H3",HFXVXHPSVLHXCC-UHFFFAOYSA-N,C13H16O4,236.26,236.104859,2.3,55.8,256,0,1,4,7,17,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENEACETALDEHYDE, .ALPHA.-(3-METHYLBUTYLIDENE)-",021834-92-4,5370602,(E)-5-methyl-2-phenylhex-2-enal,CC(C)C/C=C(/C=O)\C1=CC=CC=C1,"InChI=1S/C13H16O/c1-11(2)8-9-13(10-14)12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3/b13-9-",YURDCJXYOLERLO-LCYFTJDESA-N,C13H16O,188.26,188.1201151,3.4,17.1,197,0,0,1,4,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"ACETAMIDE, N-(4-BUTOXYPHENYL)-",023563-26-0,90165,N-(4-butoxyphenyl)acetamide,CCCCOC1=CC=C(C=C1)NC(=O)C,"InChI=1S/C12H17NO2/c1-3-4-9-15-12-7-5-11(6-8-12)13-10(2)14/h5-8H,3-4,9H2,1-2H3,(H,13,14)",JYMFGHFNWSMPBP-UHFFFAOYSA-N,C12H17NO2,207.27,207.1259288,2.5,38.3,186,0,1,2,5,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"CARBAMIC ACID, (3-ISOCYANATO-4-METHYLPHENYL)-, 2-ETHYLHEXYL ESTER",051604-48-9,6452475,2-ethylhexyl N-(3-isocyanato-4-methylphenyl)carbamate,CCCCC(CC)COC(=O)NC1=CC(=C(C=C1)C)N=C=O,"InChI=1S/C17H24N2O3/c1-4-6-7-14(5-2)11-22-17(21)19-15-9-8-13(3)16(10-15)18-12-20/h8-10,14H,4-7,11H2,1-3H3,(H,19,21)",VRKRJZXWTHSAFX-UHFFFAOYSA-N,C17H24N2O3,304.4,304.1786926,5.8,67.8,380,0,1,4,9,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"2-BUTANONE, O,O',O""-(PHENYLSILYLIDYNE)TRIOXIME",034036-80-1,54473701,N-[bis[(butan-2-ylideneamino)oxy]-phenylsilyl]oxybutan-2-imine,CCC(=NO[Si](C1=CC=CC=C1)(ON=C(C)CC)ON=C(C)CC)C,"InChI=1S/C18H29N3O3Si/c1-7-15(4)19-22-25(23-20-16(5)8-2,24-21-17(6)9-3)18-13-11-10-12-14-18/h10-14H,7-9H2,1-6H3",XKBQRJBETDMEFN-UHFFFAOYSA-N,C18H29N3O3Si,363.5,363.1978183,,64.8,431,0,0,6,10,25,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0
PHENOLIC RESIN,,24754,,[CH]C1=C(C(=CC=C1)O[CH])O,"InChI=1S/C8H6O2/c1-6-4-3-5-7(10-2)8(6)9/h1-5,9H",KXGFMDJXCMQABM-UHFFFAOYSA-N,C8H6O2,134.13,134.0367794,2.1,29.5,103,0,1,2,1,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
ISOEUGENOL,000097-54-1,853433,2-methoxy-4-[(E)-prop-1-enyl]phenol,C/C=C/C1=CC(=C(C=C1)O)OC,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+",BJIOGJUNALELMI-ONEGZZNKSA-N,C10H12O2,164.2,164.0837296,2.6,29.5,154,0,1,2,2,12,"235 °F (NTP, 1992)","511 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
HEXYL CINNAMALDEHYDE,000101-86-0,1550884,(2E)-2-benzylideneoctanal,CCCCCC/C(=C\C1=CC=CC=C1)/C=O,"InChI=1S/C15H20O/c1-2-3-4-6-11-15(13-16)12-14-9-7-5-8-10-14/h5,7-10,12-13H,2-4,6,11H2,1H3/b15-12+",GUUHFMWKWLOQMM-NTCAYCPXSA-N,C15H20O,216.32,216.1514153,4.8,17.1,211,0,0,1,7,16,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"2,4,6-TRIBROMOPHENOL",000118-79-6,1483,"2,4,6-tribromophenol",C1=C(C=C(C(=C1Br)O)Br)Br,"InChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H",BSWWXRFVMJHFBN-UHFFFAOYSA-N,C6H3Br3O,330.8,329.77135,4.4,20.2,108,0,1,1,0,10,,"471 °F at 760 mmHg (Sublimes at 540-554 °F at 764 mmHg) (NTP, 1992)",1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
2-PHENYLETHYL ACETATE,000103-45-7,7654,2-phenylethyl acetate,CC(=O)OCCC1=CC=CC=C1,"InChI=1S/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3",MDHYEMXUFSJLGV-UHFFFAOYSA-N,C10H12O2,164.2,164.0837296,2.3,26.3,137,0,0,2,4,12,,238.00 to 239.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 2-METHYL-, ETHYL ESTER",000087-24-1,66598,ethyl 2-methylbenzoate,CCOC(=O)C1=CC=CC=C1C,"InChI=1S/C10H12O2/c1-3-12-10(11)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3",SOUAXOGPALPTTC-UHFFFAOYSA-N,C10H12O2,164.2,164.0837296,3.1,26.3,154,0,0,2,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"PHENOL, 4-(TRIMETHYLSILYL)-",013132-25-7,25732,4-trimethylsilylphenol,C[Si](C)(C)C1=CC=C(C=C1)O,"InChI=1S/C9H14OSi/c1-11(2,3)9-6-4-8(10)5-7-9/h4-7,10H,1-3H3",ZOMMEPFDNFYOHO-UHFFFAOYSA-N,C9H14OSi,166.29,166.0813916,,20.2,120,0,1,1,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
SODIUM XYLENE SULFONATE,001300-72-7,23668192,"sodium 3,4-dimethylbenzenesulfonate",CC1=C(C=C(C=C1)S(=O)(=O)[O-])C.[Na+],"InChI=1S/C8H10O3S.Na/c1-6-3-4-8(5-7(6)2)12(9,10)11;/h3-5H,1-2H3,(H,9,10,11);/q;+1/p-1",QUCDWLYKDRVKMI-UHFFFAOYSA-M,C8H9NaO3S,208.21,208.0170096,,65.6,245,0,0,3,1,13,,"315 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
AMMONIUM XYLENESULFONATE,026447-10-9,33512,"azanium 2,4-dimethylbenzenesulfonate",CC1=CC(=C(C=C1)S(=O)(=O)[O-])C.[NH4+],"InChI=1S/C8H10O3S.H3N/c1-6-3-4-8(7(2)5-6)12(9,10)11;/h3-5H,1-2H3,(H,9,10,11);1H3",FGTOZJXFOAPXMR-UHFFFAOYSA-N,C8H13NO3S,203.26,203.0616145,,66.6,226,0,1,3,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"N-((1,1-DIMETHYLETHOXY)CARBONYL)-L-GLUTAMIC ACID 1-(PHENYLMETHYL) ESTER",030924-93-7,153708,(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylmethoxypentanoic acid,CC(C)(C)OC(=O)N[C@@H](CCC(=O)O)C(=O)OCC1=CC=CC=C1,"InChI=1S/C17H23NO6/c1-17(2,3)24-16(22)18-13(9-10-14(19)20)15(21)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,19,20)/t13-/m0/s1",CVZUKWBYQQYBTF-ZDUSSCGKSA-N,C17H23NO6,337.4,337.1525375,2.2,102,437,0,2,6,10,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, 2-AMINO-5-NITRO-",000096-75-3,66786,2-amino-5-nitrobenzenesulfonic acid,C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)O)N,"InChI=1S/C6H6N2O5S/c7-5-2-1-4(8(9)10)3-6(5)14(11,12)13/h1-3H,7H2,(H,11,12,13)",LTASFWDWBYFZQQ-UHFFFAOYSA-N,C6H6N2O5S,218.19,217.9997425,0.4,135,316,0,2,6,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"PHENYLALANINE, 3-HYDROXY-.ALPHA.-METHYL-",000305-96-4,2110,2-amino-3-(3-hydroxyphenyl)-2-methylpropanoic acid,CC(CC1=CC(=CC=C1)O)(C(=O)O)N,"InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-3-2-4-8(12)5-7/h2-5,12H,6,11H2,1H3,(H,13,14)",CAHPJJJZLQXPKS-UHFFFAOYSA-N,C10H13NO3,195.21,195.0895433,-1.6,83.6,219,0,3,4,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, 2,5-DIHYDROXY-, COMPD. WITH N-ETHYLETHANAMINE(1:1)",002624-44-4,17506,"2,5-dihydroxybenzenesulfonic acid;N-ethylethanamine",CCNCC.C1=CC(=C(C=C1O)S(=O)(=O)O)O,"InChI=1S/C6H6O5S.C4H11N/c7-4-1-2-5(8)6(3-4)12(9,10)11;1-3-5-4-2/h1-3,7-8H,(H,9,10,11);5H,3-4H2,1-2H3",HBGOLJKPSFNJSD-UHFFFAOYSA-N,C10H17NO5S,263.31,263.0827438,,115,252,0,4,6,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ACETAMIDE, N-(3-AMINO-4-ETHOXYPHENYL)-",017026-81-2,28207,N-(3-amino-4-ethoxyphenyl)acetamide,CCOC1=C(C=C(C=C1)NC(=O)C)N,"InChI=1S/C10H14N2O2/c1-3-14-10-5-4-8(6-9(10)11)12-7(2)13/h4-6H,3,11H2,1-2H3,(H,12,13)",XTXFAVHDQCHWCS-UHFFFAOYSA-N,C10H14N2O2,194.23,194.1055277,0.7,64.4,197,0,2,3,3,14,40 °C,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 1,2-DICHLORO-4-(METHYLSULFONYL)-",038452-47-0,161963,"1,2-dichloro-4-methylsulfonylbenzene",CS(=O)(=O)C1=CC(=C(C=C1)Cl)Cl,"InChI=1S/C7H6Cl2O2S/c1-12(10,11)5-2-3-6(8)7(9)4-5/h2-4H,1H3",DNWUINQASFDJJS-UHFFFAOYSA-N,C7H6Cl2O2S,225.09,223.946556,2.6,42.5,245,0,0,2,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 2-CHLORO-1,3,5-TRIMETHOXY-",067827-56-9,98600,"2-chloro-1,3,5-trimethoxybenzene",COC1=CC(=C(C(=C1)OC)Cl)OC,"InChI=1S/C9H11ClO3/c1-11-6-4-7(12-2)9(10)8(5-6)13-3/h4-5H,1-3H3",RLLPSYLJYVMSBI-UHFFFAOYSA-N,C9H11ClO3,202.63,202.0396719,2.5,27.7,140,0,0,3,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,4-BENZENEDIAMINE, N,N-DIETHYL-, ETHANEDIOATE",071819-89-1,252753,"4-N,4-N-diethylbenzene-1,4-diamine;oxalic acid",CCN(CC)C1=CC=C(C=C1)N.C(=O)(C(=O)O)O,"InChI=1S/C10H16N2.C2H2O4/c1-3-12(4-2)10-7-5-9(11)6-8-10;3-1(4)2(5)6/h5-8H,3-4,11H2,1-2H3;(H,3,4)(H,5,6)",GXSUUFAGHVDMCO-UHFFFAOYSA-N,C12H18N2O4,254.28,254.1266571,,104,185,0,3,6,4,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
PROPIOPHENONE,000093-55-0,7148,1-phenylpropan-1-one,CCC(=O)C1=CC=CC=C1,"InChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3",KRIOVPPHQSLHCZ-UHFFFAOYSA-N,C9H10O,134.17,134.0731649,2.2,17.1,112,0,0,1,2,10,,218.0 °C @ 760 MM HG,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
P-DICHLOROBENZENE,000106-46-7,4685,"1,4-dichlorobenzene",C1=CC(=CC=C1Cl)Cl,InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H,OCJBOOLMMGQPQU-UHFFFAOYSA-N,C6H4Cl2,147,145.9690055,3.4,0,54,0,0,0,0,8,"150 °F (NTP, 1992)","345 °F at 760 mmHg (NTP, 1992)",1,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0
1-PHENOXY-2-PROPANOL,000770-35-4,92839,1-phenoxypropan-2-ol,CC(COC1=CC=CC=C1)O,"InChI=1S/C9H12O2/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3",IBLKWZIFZMJLFL-UHFFFAOYSA-N,C9H12O2,152.19,152.0837296,1.7,29.5,97,0,1,2,3,11,,241.2 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Carbamothioic acid, (1,2-dimethylpropyl)ethyl-, S-(phenylmethyl) ester",085785-20-2,91740,S-benzyl N-ethyl-N-(3-methylbutan-2-yl)carbamothioate,CCN(C(C)C(C)C)C(=O)SCC1=CC=CC=C1,"InChI=1S/C15H23NOS/c1-5-16(13(4)12(2)3)15(17)18-11-14-9-7-6-8-10-14/h6-10,12-13H,5,11H2,1-4H3",BXEHUCNTIZGSOJ-UHFFFAOYSA-N,C15H23NOS,265.4,265.1500355,4.6,45.6,249,0,0,2,6,18,,,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
P-CHLOROTOLUENE,000106-43-4,7810,1-chloro-4-methylbenzene,CC1=CC=C(C=C1)Cl,"InChI=1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3",NPDACUSDTOMAMK-UHFFFAOYSA-N,C7H7Cl,126.58,126.0236279,3.3,0,62,0,0,0,0,8,49 °C,162.4 °C,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,4-BENZENEDICARBOTHIOIC ACID",001076-98-8,70644,"benzene-1,4-dicarbothioic S-acid",C1=CC(=CC=C1C(=O)S)C(=O)S,"InChI=1S/C8H6O2S2/c9-7(11)5-1-2-6(4-3-5)8(10)12/h1-4H,(H,9,11)(H,10,12)",ZMOOAVPSGXARRF-UHFFFAOYSA-N,C8H6O2S2,198.3,197.9809218,3,36.1,173,0,2,4,2,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
"PHENOL, 4-(1,1-DIMETHYLETHYL)-, ACETATE",003056-64-2,76463,(4-tert-butylphenyl) acetate,CC(=O)OC1=CC=C(C=C1)C(C)(C)C,"InChI=1S/C12H16O2/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h5-8H,1-4H3",FSALNWWFUMHOAU-UHFFFAOYSA-N,C12H16O2,192.25,192.1150297,3.4,26.3,195,0,0,2,3,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
"Palmitic acid, alpha-ester with D-threo-(-)-2,2-dichloro-N-(beta-hydroxy-alpha",000530-43-8,443382,"[(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] hexadecanoate",CCCCCCCCCCCCCCCC(=O)OC[C@H]([C@@H](C1=CC=C(C=C1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,"InChI=1S/C27H42Cl2N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(32)37-20-23(30-27(34)26(28)29)25(33)21-16-18-22(19-17-21)31(35)36/h16-19,23,25-26,33H,2-15,20H2,1H3,(H,30,34)/t23-,25-/m1/s1",PXKHGMGELZGJQE-ILBGXUMGSA-N,C27H42Cl2N2O6,561.5,560.2419925,9,121,639,0,2,6,21,37,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethanone, 1-(4-(1,1-dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl)-",000081-14-1,6669,"1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone",CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)C(=O)C,"InChI=1S/C14H18N2O5/c1-7-10(9(3)17)8(2)13(16(20)21)11(14(4,5)6)12(7)15(18)19/h1-6H3",WXCMHFPAUCOJIG-UHFFFAOYSA-N,C14H18N2O5,294.3,294.1215717,3.7,109,418,0,0,5,2,21,>168 °C (>334 °F) - closed cup,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 2-ETHYLHEXYL ESTER",005444-75-7,94310,2-ethylhexyl benzoate,CCCCC(CC)COC(=O)C1=CC=CC=C1,"InChI=1S/C15H22O2/c1-3-5-9-13(4-2)12-17-15(16)14-10-7-6-8-11-14/h6-8,10-11,13H,3-5,9,12H2,1-2H3",UADWUILHKRXHMM-UHFFFAOYSA-N,C15H22O2,234.33,234.1619799,4.5,26.3,207,0,0,2,8,17,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
DI-ISO-BUTYL PHTHALATE,000084-69-5,6782,"bis(2-methylpropyl) benzene-1,2-dicarboxylate",CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C,"InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3",MGWAVDBGNNKXQV-UHFFFAOYSA-N,C16H22O4,278.34,278.1518092,4.1,52.6,290,0,0,4,8,20,"385 °F (NTP, 1992)","563 to 568 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
N-BUTYL PHTHALATE,000084-74-2,3026,"dibutyl benzene-1,2-dicarboxylate",CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC,"InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3",DOIRQSBPFJWKBE-UHFFFAOYSA-N,C16H22O4,278.34,278.1518092,4.7,52.6,271,0,0,4,10,20,"315 °F (NTP, 1992)","644 °F at 760 mmHg (NTP, 1992)",1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Alanine, 3-(3,4-dihydroxyphenyl)-2-methyl-, L-(-)-",000555-30-6,38853,"(2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid",C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)N,"InChI=1S/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)/t10-/m0/s1",CJCSPKMFHVPWAR-JTQLQIEISA-N,C10H13NO4,211.21,211.0844579,-1.9,104,246,0,4,5,3,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
PENDIMETHALIN,040487-42-1,38479,"3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline",CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-],"InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h7,10,14H,5-6H2,1-4H3",CHIFOSRWCNZCFN-UHFFFAOYSA-N,C13H19N3O4,281.31,281.1375561,5.2,104,349,0,1,5,4,20,Flashpoint of Prowl: 92 °F (closed cup); 124 °F (open cup) /Prowl/,Decomposes on distillation,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
TRIDECYLBENZENE,000123-02-4,31238,tridecylbenzene,CCCCCCCCCCCCCC1=CC=CC=C1,"InChI=1S/C19H32/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-17-14-12-15-18-19/h12,14-15,17-18H,2-11,13,16H2,1H3",MCVUKOYZUCWLQQ-UHFFFAOYSA-N,C19H32,260.5,260.250401,9.3,0,167,0,0,0,12,19,"greater than 230 °F (USCG, 1999)","654.8 °F at 760 mmHg (USCG, 1999)",1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-PROPENOIC ACID, 3-PHENYL-, PENTYL ESTER",003487-99-8,97841,pentyl 3-phenylprop-2-enoate,CCCCCOC(=O)C=CC1=CC=CC=C1,"InChI=1S/C14H18O2/c1-2-3-7-12-16-14(15)11-10-13-8-5-4-6-9-13/h4-6,8-11H,2-3,7,12H2,1H3",QDRJCWZGTMRXCL-UHFFFAOYSA-N,C14H18O2,218.29,218.1306798,4.4,26.3,215,0,0,2,7,16,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANONE, 1-(4-HEPTYLPHENYL)-",037593-03-6,98879,1-(4-heptylphenyl)ethanone,CCCCCCCC1=CC=C(C=C1)C(=O)C,"InChI=1S/C15H22O/c1-3-4-5-6-7-8-14-9-11-15(12-10-14)13(2)16/h9-12H,3-8H2,1-2H3",UQBRZOXCKKBKDU-UHFFFAOYSA-N,C15H22O,218.33,218.1670653,4.8,17.1,190,0,0,1,7,16,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 1,4-BIS[2-(ETHENYLOXY)ETHOXY]-",084563-49-5,3086189,"1,4-bis(2-ethenoxyethoxy)benzene",C=COCCOC1=CC=C(C=C1)OCCOC=C,"InChI=1S/C14H18O4/c1-3-15-9-11-17-13-5-7-14(8-6-13)18-12-10-16-4-2/h3-8H,1-2,9-12H2",USUVZXVXRBAIEE-UHFFFAOYSA-N,C14H18O4,250.29,250.1205091,3.1,36.9,198,0,0,4,10,18,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
DIISODECYL PHTHALATE,026761-40-0,33599,"bis(8-methylnonyl) benzene-1,2-dicarboxylate",CC(C)CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC(C)C,"InChI=1S/C28H46O4/c1-23(2)17-11-7-5-9-15-21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-16-10-6-8-12-18-24(3)4/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3",ZVFDTKUVRCTHQE-UHFFFAOYSA-N,C28H46O4,446.7,446.3396099,10.6,52.6,442,0,0,4,20,32,"450 °F (NTP, 1992)","482 to 495 °F at 4 mmHg (NTP, 1992)",1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
DIMETHYL TETRACHLOROTEREPHTHALATE,001861-32-1,2943,"dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate",COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl,InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3,NPOJQCVWMSKXDN-UHFFFAOYSA-N,C10H6Cl4O4,332,331.899069,4.4,52.6,290,0,0,4,4,18,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BUTANOIC ACID, 3-METHYL-, 2-PHENYLETHYL ESTER",000140-26-1,8792,2-phenylethyl 3-methylbutanoate,CC(C)CC(=O)OCCC1=CC=CC=C1,"InChI=1S/C13H18O2/c1-11(2)10-13(14)15-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3",JIMGVOCOYZFDKB-UHFFFAOYSA-N,C13H18O2,206.28,206.1306798,3.6,26.3,181,0,0,2,6,15,,263.00 to 264.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 1,4-DIBROMO-2,3,5,6-TETRAMETHYL-",001646-54-4,74241,"1,4-dibromo-2,3,5,6-tetramethylbenzene",CC1=C(C(=C(C(=C1Br)C)C)Br)C,InChI=1S/C10H12Br2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h1-4H3,IEWAQZBDJDWANM-UHFFFAOYSA-N,C10H12Br2,292.01,291.92853,4.8,0,124,0,0,0,0,12,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 2,3,6-trichloro-",50-31-7,5759,"2,3,6-trichlorobenzoic acid",C1=CC(=C(C(=C1Cl)C(=O)O)Cl)Cl,"InChI=1S/C7H3Cl3O2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H,11,12)",XZIDTOHMJBOSOX-UHFFFAOYSA-N,C7H3Cl3O2,225.5,223.919862,2.9,37.3,185,0,1,2,1,12,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 2,3,5,6-tetrachloro-",50-38-4,5762,"2,3,5,6-tetrachlorobenzoic acid",C1=C(C(=C(C(=C1Cl)Cl)C(=O)O)Cl)Cl,"InChI=1S/C7H2Cl4O2/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1H,(H,12,13)",UYGUFXUBSNDUFA-UHFFFAOYSA-N,C7H2Cl4O2,259.9,259.87794,4.1,37.3,197,0,1,2,1,13,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzamide, p-amino-N-(2-(diethylamino)ethyl)-",51-06-9,4913,4-amino-N-[2-(diethylamino)ethyl]benzamide,CCN(CC)CCNC(=O)C1=CC=C(C=C1)N,"InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)",REQCZEXYDRLIBE-UHFFFAOYSA-N,C13H21N3O,235.33,235.1684623,0.9,58.4,221,0,2,3,6,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, o-amino-, hydrochloride",51-19-4,5800,2-aminophenol;hydrochloride,C1=CC=C(C(=C1)N)O.Cl,"InChI=1S/C6H7NO.ClH/c7-5-3-1-2-4-6(5)8;/h1-4,8H,7H2;1H",QUDZAFKCASPJLX-UHFFFAOYSA-N,C6H8ClNO,145.59,145.0294416,,46.3,74,0,3,2,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Glycine, N-(2-(diethylamino)ethyl)-2-phenyl-, isopentyl ester",54-30-8,5902,3-methylbutyl 2-[2-(diethylamino)ethylamino]-2-phenylacetate,CCN(CC)CCNC(C1=CC=CC=C1)C(=O)OCCC(C)C,"InChI=1S/C19H32N2O2/c1-5-21(6-2)14-13-20-18(17-10-8-7-9-11-17)19(22)23-15-12-16(3)4/h7-11,16,18,20H,5-6,12-15H2,1-4H3",RYOOHIUJEJZCFT-UHFFFAOYSA-N,C19H32N2O2,320.5,320.2463783,3.9,41.6,310,0,1,4,12,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-Propanediol, 3-(o-tolyloxy)-",59-47-2,4059,"3-(2-methylphenoxy)propane-1,2-diol",CC1=CC=CC=C1OCC(CO)O,"InChI=1S/C10H14O3/c1-8-4-2-3-5-10(8)13-7-9(12)6-11/h2-5,9,11-12H,6-7H2,1H3",JWDYCNIAQWPBHD-UHFFFAOYSA-N,C10H14O3,182.22,182.0942943,1.4,49.7,138,0,2,3,4,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Triethylamine, 2-phenoxy-",74-40-8,66150,"N,N-diethyl-2-phenoxyethanamine",CCN(CC)CCOC1=CC=CC=C1,"InChI=1S/C12H19NO/c1-3-13(4-2)10-11-14-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3",OOYKEEROCQGXPH-UHFFFAOYSA-N,C12H19NO,193.28,193.1466642,2.6,12.5,128,0,0,2,6,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"o-Cresol, 6-chloro-",87-64-9,6898,2-chloro-6-methylphenol,CC1=C(C(=CC=C1)Cl)O,"InChI=1S/C7H7ClO/c1-5-3-2-4-6(8)7(5)9/h2-4,9H,1H3",YPNZJHFXFVLXSE-UHFFFAOYSA-N,C7H7ClO,142.58,142.0185425,2.8,20.2,94,0,1,1,0,9,,,1,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 2,5-dichloro-3-nitro-",88-86-8,6951,"2,5-dichloro-3-nitrobenzoic acid",C1=C(C=C(C(=C1C(=O)O)Cl)[N+](=O)[O-])Cl,"InChI=1S/C7H3Cl2NO4/c8-3-1-4(7(11)12)6(9)5(2-3)10(13)14/h1-2H,(H,11,12)",AUAXYMOBWXOEQD-UHFFFAOYSA-N,C7H3Cl2NO4,236.01,234.943913,3.3,83.1,255,0,1,4,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, 3-methyl-2-phenylvalerate",90-22-2,7010,diethyl-methyl-[2-(3-methyl-2-phenylpentanoyl)oxyethyl]azanium bromide,CCC(C)C(C1=CC=CC=C1)C(=O)OCC[N+](C)(CC)CC.[Br-],"InChI=1S/C19H32NO2.BrH/c1-6-16(4)18(17-12-10-9-11-13-17)19(21)22-15-14-20(5,7-2)8-3;/h9-13,16,18H,6-8,14-15H2,1-5H3;1H/q+1;/p-1",CEJGGHKJHDHLAZ-UHFFFAOYSA-M,C19H32BrNO2,386.4,385.16164,,26.3,319,0,0,3,10,23,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzaldehyde, 3,5-dibromo-2-hydroxy-",90-59-5,7024,"3,5-dibromo-2-hydroxybenzaldehyde",C1=C(C=C(C(=C1C=O)O)Br)Br,"InChI=1S/C7H4Br2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H",JHZOXYGFQMROFJ-UHFFFAOYSA-N,C7H4Br2O2,279.91,279.85576,3,37.3,151,0,1,2,1,11,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propanone, 1-hydroxy-1-phenyl-",90-63-1,92733,1-hydroxy-1-phenylpropan-2-one,CC(=O)C(C1=CC=CC=C1)O,"InChI=1S/C9H10O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6,9,11H,1H3",ZBFFNPODXBJBPW-UHFFFAOYSA-N,C9H10O2,150.17,150.0680796,1,37.3,136,0,1,2,2,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethanol, 2,2'-((3-chlorophenyl)imino)bis-",92-00-2,66688,2-[3-chloro-N-(2-hydroxyethyl)anilino]ethanol,C1=CC(=CC(=C1)Cl)N(CCO)CCO,"InChI=1S/C10H14ClNO2/c11-9-2-1-3-10(8-9)12(4-6-13)5-7-14/h1-3,8,13-14H,4-7H2",MVQUJEUCFOGFJU-UHFFFAOYSA-N,C10H14ClNO2,215.67,215.0713064,1.3,43.7,151,0,2,3,5,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetonitrile, 3,4-dimethoxyphenyl-",93-17-4,66727,"2-(3,4-dimethoxyphenyl)acetonitrile",COC1=C(C=C(C=C1)CC#N)OC,"InChI=1S/C10H11NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5H2,1-2H3",ASLSUMISAQDOOB-UHFFFAOYSA-N,C10H11NO2,177.2,177.0789786,1.2,42.3,196,0,0,3,3,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, p-(butylamino)-, 2-(dimethylamino)ethyl ester",94-24-6,5411,2-(dimethylamino)ethyl 4-(butylamino)benzoate,CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C,"InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3",GKCBAIGFKIBETG-UHFFFAOYSA-N,C15H24N2O2,264.36,264.183778,3.7,41.6,249,0,1,4,9,19,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Benzenesulfonic acid, 3-amino-4-hydroxy-5-nitro-",96-93-5,3844407,3-amino-4-hydroxy-5-nitrobenzenesulfonic acid,C1=C(C=C(C(=C1N)O)[N+](=O)[O-])S(=O)(=O)O,"InChI=1S/C6H6N2O6S/c7-4-1-3(15(12,13)14)2-5(6(4)9)8(10)11/h1-2,9H,7H2,(H,12,13,14)",RHPXYZMDLOJTFF-UHFFFAOYSA-N,C6H6N2O6S,234.19,233.9946571,-0.2,155,344,0,3,7,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"m-Arsanilic acid, N-acetyl-4-hydroxy-",97-44-9,1985,(3-acetamido-4-hydroxyphenyl)arsonic acid,CC(=O)NC1=C(C=CC(=C1)[As](=O)(O)O)O,"InChI=1S/C8H10AsNO5/c1-5(11)10-7-4-6(9(13,14)15)2-3-8(7)12/h2-4,12H,1H3,(H,10,11)(H2,13,14,15)",ODFJOVXVLFUVNQ-UHFFFAOYSA-N,C8H10AsNO5,275.09,274.977492,,107,289,0,4,5,2,15,,,1,0,1,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0
"Benzenearsonic acid, p-hydroxy-",98-14-6,7373,(4-hydroxyphenyl)arsonic acid,C1=CC(=CC=C1O)[As](=O)(O)O,"InChI=1S/C6H7AsO4/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4,8H,(H2,9,10,11)",RSRFURJMCNJVOW-UHFFFAOYSA-N,C6H7AsO4,218.04,217.956028,,77.8,167,0,3,4,1,11,,,1,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
Hydrocinnamamide,102-93-2,7625,3-phenylpropanamide,C1=CC=C(C=C1)CCC(=O)N,"InChI=1S/C9H11NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11)",VYIBCOSBNVFEIW-UHFFFAOYSA-N,C9H11NO,149.19,149.084064,0.9,43.1,128,0,1,1,3,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Boric acid, phenylmercury deriv.",102-98-7,16683761,boronooxy(phenyl)mercury,B(O)(O)O[Hg]C1=CC=CC=C1,InChI=1S/C6H5.BH2O3.Hg/c1-2-4-6-5-3-1;2-1(3)4;/h1-5H;2-3H;/q;-1;+1,VUXSPDNLYQTOSY-UHFFFAOYSA-N,C6H7BHgO3,338.52,340.019468,,49.7,106,0,2,3,3,11,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"Acetanilide, 4'-formyl-, 4'-(thiosemicarbazone)",104-06-3,2733749,N-[4-[(carbamothioylhydrazinylidene)methyl]phenyl]acetamide,CC(=O)NC1=CC=C(C=C1)C=NNC(=S)N,"InChI=1S/C10H12N4OS/c1-7(15)13-9-4-2-8(3-5-9)6-12-14-10(11)16/h2-6H,1H3,(H,13,15)(H3,11,14,16)",SRVJKTDHMYAMHA-UHFFFAOYSA-N,C10H12N4OS,236.3,236.0731822,1,112,285,0,3,3,3,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Penten-3-one, 1-(p-methoxyphenyl)-",104-27-8,5803450,(E)-1-(4-methoxyphenyl)pent-1-en-3-one,CCC(=O)/C=C/C1=CC=C(C=C1)OC,"InChI=1S/C12H14O2/c1-3-11(13)7-4-10-5-8-12(14-2)9-6-10/h4-9H,3H2,1-2H3/b7-4+",SLDQOBRACOQXGE-QPJJXVBHSA-N,C12H14O2,190.24,190.0993797,2.5,26.3,200,0,0,2,4,14,,278.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Benzoic acid, p-(butylamino)-, 2-(2-(2-(2-(2-(2-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethyl ester",104-31-4,7699,2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-(butylamino)benzoate,CCCCNC1=CC=C(C=C1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC,"InChI=1S/C30H53NO11/c1-3-4-9-31-29-7-5-28(6-8-29)30(32)42-27-26-41-25-24-40-23-22-39-21-20-38-19-18-37-17-16-36-15-14-35-13-12-34-11-10-33-2/h5-8,31H,3-4,9-27H2,1-2H3",MAFMQEKGGFWBAB-UHFFFAOYSA-N,C30H53NO11,603.7,603.3618615,2.4,121,565,0,1,12,33,42,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Arsanilic acid, N-carbamoyl-",121-59-5,8480,[4-(carbamoylamino)phenyl]arsonic acid,C1=CC(=CC=C1NC(=O)N)[As](=O)(O)O,"InChI=1S/C7H9AsN2O4/c9-7(11)10-6-3-1-5(2-4-6)8(12,13)14/h1-4H,(H3,9,10,11)(H2,12,13,14)",WWXBHTZSYYGCSG-UHFFFAOYSA-N,C7H9AsN2O4,260.08,259.977826,,113,256,0,4,4,2,14,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, p-(2-aminopropyl)-, hydrobromide, (+-)-",140-36-3,9377,4-(2-aminopropyl)phenol;hydrobromide,CC(CC1=CC=C(C=C1)O)N.Br,"InChI=1S/C9H13NO.BrH/c1-7(10)6-8-2-4-9(11)5-3-8;/h2-5,7,11H,6,10H2,1H3;1H",RZCJLMTXBMNRAD-UHFFFAOYSA-N,C9H14BrNO,232.12,231.02588,,46.3,108,0,3,2,2,12,,,0,0,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,1,1
"Urea, 1-(p-chlorophenyl)-",140-38-5,8796,(4-chlorophenyl)urea,C1=CC(=CC=C1NC(=O)N)Cl,"InChI=1S/C7H7ClN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)",RECCURWJDVZHIH-UHFFFAOYSA-N,C7H7ClN2O,170.59,170.0246905,1.8,55.1,143,0,2,1,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Acetic acid, trichloro-, compd. with 3-(p-chlorophenyl)-1,1-dimethylurea (1:1)",140-41-0,8799,"3-(4-chlorophenyl)-1,1-dimethylurea;2,2,2-trichloroacetic acid",CN(C)C(=O)NC1=CC=C(C=C1)Cl.C(=O)(C(Cl)(Cl)Cl)O,"InChI=1S/C9H11ClN2O.C2HCl3O2/c1-12(2)9(13)11-8-5-3-7(10)4-6-8;3-2(4,5)1(6)7/h3-6H,1-2H3,(H,11,13);(H,6,7)",DUQGREMIROGTTD-UHFFFAOYSA-N,C11H12Cl4N2O3,362,361.957253,,69.6,260,0,2,3,1,20,,,1,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"Urea, (p-ethoxyphenyl)-",150-69-6,9013,(4-ethoxyphenyl)urea,CCOC1=CC=C(C=C1)NC(=O)N,"InChI=1S/C9H12N2O2/c1-2-13-8-5-3-7(4-6-8)11-9(10)12/h3-6H,2H2,1H3,(H3,10,11,12)",GGLIEWRLXDLBBF-UHFFFAOYSA-N,C9H12N2O2,180.2,180.0898776,1,64.4,165,0,2,2,3,13,,"Decomposes (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,4-Cresotic acid, alpha,alpha,alpha-trifluoro-, acetate",322-79-2,9458,2-acetyloxy-4-(trifluoromethyl)benzoic acid,CC(=O)OC1=C(C=CC(=C1)C(F)(F)F)C(=O)O,"InChI=1S/C10H7F3O4/c1-5(14)17-8-4-6(10(11,12)13)2-3-7(8)9(15)16/h2-4H,1H3,(H,15,16)",RMWVZGDJPAKBDE-UHFFFAOYSA-N,C10H7F3O4,248.15,248.0296432,2.1,63.6,313,0,1,7,3,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Acetanilide, 4'-methoxy-2,2,2-trifluoro-",332-34-3,101284,"2,2,2-trifluoro-N-(4-methoxyphenyl)acetamide",COC1=CC=C(C=C1)NC(=O)C(F)(F)F,"InChI=1S/C9H8F3NO2/c1-15-7-4-2-6(3-5-7)13-8(14)9(10,11)12/h2-5H,1H3,(H,13,14)",OUTSPSLYNAJENA-UHFFFAOYSA-N,C9H8F3NO2,219.16,219.050713,2.6,38.3,222,0,1,5,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Toluene, alpha-chloro-alpha,alpha-difluoro-",349-50-8,67679,[chloro(difluoro)methyl]benzene,C1=CC=C(C=C1)C(F)(F)Cl,"InChI=1S/C7H5ClF2/c8-7(9,10)6-4-2-1-3-5-6/h1-5H",RPSUKAMDJCKXAF-UHFFFAOYSA-N,C7H5ClF2,162.56,162.0047842,3.3,0,108,0,0,2,1,10,,,0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Acetanilide, 4'-fluoro-",351-83-7,9601,N-(4-fluorophenyl)acetamide,CC(=O)NC1=CC=C(C=C1)F,"InChI=1S/C8H8FNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)",JHEFOJNPLXSWNZ-UHFFFAOYSA-N,C8H8FNO,153.15,153.058992,1.5,29.1,141,0,1,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenediazonium, tetrafluoroborate(1-)",369-57-3,5284485,benzenediazonium tetrafluoroborate,[B-](F)(F)(F)F.C1=CC=C(C=C1)[N+]#N,"InChI=1S/C6H5N2.BF4/c7-8-6-4-2-1-3-5-6;2-1(3,4)5/h1-5H;/q+1;-1",JNCLVGMBRSKDED-UHFFFAOYSA-N,C6H5BF4N2,191.92,192.048191,,28.2,124,0,0,6,0,13,,,0,0,0,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,1,1
"Benzene, 2-chloro-1,5-dinitro-3-(trifluoromethyl)-",392-95-0,67851,"2-chloro-1,5-dinitro-3-(trifluoromethyl)benzene",C1=C(C=C(C(=C1C(F)(F)F)Cl)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C7H2ClF3N2O4/c8-6-4(7(9,10)11)1-3(12(14)15)2-5(6)13(16)17/h1-2H",RLXKADBMLQPLDV-UHFFFAOYSA-N,C7H2ClF3N2O4,270.55,269.9655187,3.1,91.6,327,0,0,7,0,17,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Methylbenzenesulfonate, 1H,1H,7H-Perfluoroheptyl-",424-16-8,562853,"2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl 4-methylbenzenesulfonate",CC1=CC=C(C=C1)S(=O)(=O)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C14H10F12O3S/c1-7-2-4-8(5-3-7)30(27,28)29-6-10(17,18)12(21,22)14(25,26)13(23,24)11(19,20)9(15)16/h2-5,9H,6H2,1H3",OXJVZWUUXGCJLH-UHFFFAOYSA-N,C14H10F12O3S,486.27,486.0159033,5.8,51.8,693,0,0,15,9,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, 2-fluoro-",445-28-3,67964,2-fluorobenzamide,C1=CC=C(C(=C1)C(=O)N)F,"InChI=1S/C7H6FNO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10)",KGGHWIKBOIQEAJ-UHFFFAOYSA-N,C7H6FNO,139.13,139.043342,0.6,43.1,138,0,1,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 4-amino-3-fluoro-",455-87-8,9971,4-amino-3-fluorobenzoic acid,C1=CC(=C(C=C1C(=O)O)F)N,"InChI=1S/C7H6FNO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,9H2,(H,10,11)",JSKXHTHMCCDEGD-UHFFFAOYSA-N,C7H6FNO2,155.13,155.0382566,1,63.3,163,0,2,4,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Methanesulfonamide, N-phenyl-1,1,1-trifluoro-",456-64-4,68012,"1,1,1-trifluoro-N-phenylmethanesulfonamide",C1=CC=C(C=C1)NS(=O)(=O)C(F)(F)F,"InChI=1S/C7H6F3NO2S/c8-7(9,10)14(12,13)11-6-4-2-1-3-5-6/h1-5,11H",OXDSKEQSEGDAFN-UHFFFAOYSA-N,C7H6F3NO2S,225.19,225.0071341,3,54.6,274,0,1,6,2,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzaldehyde, p-fluoro-, oxime",459-23-4,5372466,(NZ)-N-[(4-fluorophenyl)methylidene]hydroxylamine,C1=CC(=CC=C1/C=N\O)F,"InChI=1S/C7H6FNO/c8-7-3-1-6(2-4-7)5-9-10/h1-5,10H/b9-5-",FSKSLWXDUJVTHE-UITAMQMPSA-N,C7H6FNO,139.13,139.043342,2,32.6,119,0,1,3,1,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"o-Cresol, 3,5-dinitro-",497-56-3,68131,"2-methyl-3,5-dinitrophenol",CC1=C(C=C(C=C1O)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C7H6N2O5/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10/h2-3,10H,1H3",KSHJAFFDLKPUMT-UHFFFAOYSA-N,C7H6N2O5,198.13,198.0276713,1.4,112,245,0,1,5,0,14,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Phosphorothioic acid, O-(3-chloro-4-nitrophenyl) O,O-dimethyl ester",500-28-7,10372,(3-chloro-4-nitrophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane,COP(=S)(OC)OC1=CC(=C(C=C1)[N+](=O)[O-])Cl,"InChI=1S/C8H9ClNO5PS/c1-13-16(17,14-2)15-6-3-4-8(10(11)12)7(9)5-6/h3-5H,1-2H3",NZNRRXXETLSZRO-UHFFFAOYSA-N,C8H9ClNO5PS,297.65,296.9627583,3.5,106,318,0,0,6,4,17,,136 °C @ 0.23 mm Hg,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 2,4,5-trimethyl-",528-90-5,10714,"2,4,5-trimethylbenzoic acid",CC1=CC(=C(C=C1C)C(=O)O)C,"InChI=1S/C10H12O2/c1-6-4-8(3)9(10(11)12)5-7(6)2/h4-5H,1-3H3,(H,11,12)",QENJZWZWAWWESF-UHFFFAOYSA-N,C10H12O2,164.2,164.0837296,2.5,37.3,177,0,1,2,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Alanine, 3-(3,4-dihydroxyphenyl)-2-methyl-, DL-",555-29-3,4138,"2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid",CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N,"InChI=1S/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)",CJCSPKMFHVPWAR-UHFFFAOYSA-N,C10H13NO4,211.21,211.0844579,-1.9,104,246,0,4,5,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Acetic acid, (2,4,6-trichlorophenoxy)-",575-89-3,11331,"2-(2,4,6-trichlorophenoxy)acetic acid",C1=C(C=C(C(=C1Cl)OCC(=O)O)Cl)Cl,"InChI=1S/C8H5Cl3O3/c9-4-1-5(10)8(6(11)2-4)14-3-7(12)13/h1-2H,3H2,(H,12,13)",KZDCLQBOHGBWOI-UHFFFAOYSA-N,C8H5Cl3O3,255.5,253.930427,3.6,46.5,200,0,1,3,3,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 3-methoxy-2-(2-propenyl)-",579-60-2,347577,2-methoxy-6-prop-2-enylphenol,COC1=CC=CC(=C1O)CC=C,"InChI=1S/C10H12O2/c1-3-5-8-6-4-7-9(12-2)10(8)11/h3-4,6-7,11H,1,5H2,2H3",LREHGXOCZVBABG-UHFFFAOYSA-N,C10H12O2,164.2,164.0837296,2.6,29.5,145,0,1,2,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"Benzoic acid, 2-(acetyloxy)-, methyl ester",580-02-9,68484,methyl 2-acetyloxybenzoate,CC(=O)OC1=CC=CC=C1C(=O)OC,"InChI=1S/C10H10O4/c1-7(11)14-9-6-4-3-5-8(9)10(12)13-2/h3-6H,1-2H3",ONWPLBKWMAUFGZ-UHFFFAOYSA-N,C10H10O4,194.18,194.0579088,1.5,52.6,224,0,0,4,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, o-nitro-",610-15-1,11876,2-nitrobenzamide,C1=CC=C(C(=C1)C(=O)N)[N+](=O)[O-],"InChI=1S/C7H6N2O3/c8-7(10)5-3-1-2-4-6(5)9(11)12/h1-4H,(H2,8,10)",KLGQWSOYKYFBTR-UHFFFAOYSA-N,C7H6N2O3,166.13,166.0378421,-0.1,88.9,199,0,1,3,1,12,,"603 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 2,5-dibromo-",610-71-9,11891,"2,5-dibromobenzoic acid",C1=CC(=C(C=C1Br)C(=O)O)Br,"InChI=1S/C7H4Br2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)",SQQKOTVDGCJJKI-UHFFFAOYSA-N,C7H4Br2O2,279.91,279.85576,3.7,37.3,161,0,1,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propenoic acid, 3-(2-nitrophenyl)-",612-41-9,735923,(E)-3-(2-nitrophenyl)prop-2-enoic acid,C1=CC=C(C(=C1)/C=C/C(=O)O)[N+](=O)[O-],"InChI=1S/C9H7NO4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-6H,(H,11,12)/b6-5+",BBQDLDVSEDAYAA-AATRIKPKSA-N,C9H7NO4,193.16,193.0375077,1.5,83.1,256,0,1,4,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, o-tolyl-",614-77-7,69198,(2-methylphenyl)urea,CC1=CC=CC=C1NC(=O)N,"InChI=1S/C8H10N2O/c1-6-4-2-3-5-7(6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)",BLSVCHHBHKGCSQ-UHFFFAOYSA-N,C8H10N2O,150.18,150.0793129,0.3,55.1,147,0,2,1,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"m-Xylene, 4,6-dinitro-",616-72-8,12029,"1,5-dimethyl-2,4-dinitrobenzene",CC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C,"InChI=1S/C8H8N2O4/c1-5-3-6(2)8(10(13)14)4-7(5)9(11)12/h3-4H,1-2H3",FOWXIRIJHSFCRC-UHFFFAOYSA-N,C8H8N2O4,196.16,196.0484067,2.3,91.6,221,0,0,4,0,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Malonic acid, benzyl-",616-75-1,12031,2-benzylpropanedioic acid,C1=CC=C(C=C1)CC(C(=O)O)C(=O)O,"InChI=1S/C10H10O4/c11-9(12)8(10(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)(H,13,14)",JAEJSNFTJMYIEF-UHFFFAOYSA-N,C10H10O4,194.18,194.0579088,1.5,74.6,204,0,2,4,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 3-propyl-",621-27-2,69302,3-propylphenol,CCCC1=CC(=CC=C1)O,"InChI=1S/C9H12O/c1-2-4-8-5-3-6-9(10)7-8/h3,5-7,10H,2,4H2,1H3",MPWGZBWDLMDIHO-UHFFFAOYSA-N,C9H12O,136.19,136.088815,2.9,20.2,90,0,1,1,2,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Urea, 2-thio-1-p-tolyl-",622-52-6,722833,(4-methylphenyl)thiourea,CC1=CC=C(C=C1)NC(=S)N,"InChI=1S/C8H10N2S/c1-6-2-4-7(5-3-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)",VXLFMCZPFIKKDZ-UHFFFAOYSA-N,C8H10N2S,166.25,166.0564695,1.1,70.1,139,0,2,1,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Isophthalic acid, 4-hydroxy-",636-46-4,12490,"4-hydroxybenzene-1,3-dicarboxylic acid",C1=CC(=C(C=C1C(=O)O)C(=O)O)O,"InChI=1S/C8H6O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)",BCEQKAQCUWUNML-UHFFFAOYSA-N,C8H6O5,182.13,182.0215233,1.5,94.8,225,0,3,5,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"p-Toluenesulfonamide, N,N-diethyl-",649-15-0,69539,"N,N-diethyl-4-methylbenzenesulfonamide",CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C,"InChI=1S/C11H17NO2S/c1-4-12(5-2)15(13,14)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3",AOJBACHWNDMRQP-UHFFFAOYSA-N,C11H17NO2S,227.33,227.098,2.2,45.8,269,0,0,3,4,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Carbamic acid, methyl-, 6-chloro-3,4-xylyl ester",671-04-5,522251,"(2-chloro-4,5-dimethylphenyl) N-methylcarbamate",CC1=CC(=C(C=C1C)Cl)OC(=O)NC,"InChI=1S/C10H12ClNO2/c1-6-4-8(11)9(5-7(6)2)14-10(13)12-3/h4-5H,1-3H3,(H,12,13)",QRTXZGIQTYDABO-UHFFFAOYSA-N,C10H12ClNO2,213.66,213.0556563,2.7,38.3,210,0,1,2,2,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Styrene, p-chloro-beta-nitro-",706-07-0,5354182,1-chloro-4-[(E)-2-nitroethenyl]benzene,C1=CC(=CC=C1/C=C/[N+](=O)[O-])Cl,InChI=1S/C8H6ClNO2/c9-8-3-1-7(2-4-8)5-6-10(11)12/h1-6H/b6-5+,GLJATYFHELDGEA-AATRIKPKSA-N,C8H6ClNO2,183.59,183.0087061,2.4,45.8,180,0,0,2,1,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
"Benzenesulfonamide, p-bromo-N,N-dimethyl-",707-60-8,12818,"4-bromo-N,N-dimethylbenzenesulfonamide",CN(C)S(=O)(=O)C1=CC=C(C=C1)Br,"InChI=1S/C8H10BrNO2S/c1-10(2)13(11,12)8-5-3-7(9)4-6-8/h3-6H,1-2H3",NQAUNPZZVCXYEJ-UHFFFAOYSA-N,C8H10BrNO2S,264.14,262.96156,2,45.8,250,0,0,3,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzene, 1-chloro-4-(2-nitropropenyl)-",710-20-3,120341,1-chloro-4-(2-nitroprop-1-enyl)benzene,CC(=CC1=CC=C(C=C1)Cl)[N+](=O)[O-],"InChI=1S/C9H8ClNO2/c1-7(11(12)13)6-8-2-4-9(10)5-3-8/h2-6H,1H3",ABSQKQKOEFDZTI-UHFFFAOYSA-N,C9H8ClNO2,197.62,197.0243562,3.1,45.8,214,0,0,2,1,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenesulfonamide, p-iodo-",825-86-5,13218,4-iodobenzenesulfonamide,C1=CC(=CC=C1S(=O)(=O)N)I,"InChI=1S/C6H6INO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)",KQZFABSTXSNEQH-UHFFFAOYSA-N,C6H6INO2S,283.09,282.9164,1.6,68.5,213,0,1,3,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, 1-(p-ethoxyphenyl)-2-thio-",880-29-5,853569,(4-ethoxyphenyl)thiourea,CCOC1=CC=C(C=C1)NC(=S)N,"InChI=1S/C9H12N2OS/c1-2-12-8-5-3-7(4-6-8)11-9(10)13/h3-6H,2H2,1H3,(H3,10,11,13)",QGLYTNIXHPCRCF-UHFFFAOYSA-N,C9H12N2OS,196.27,196.0670342,1.6,79.4,167,0,2,2,3,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Aniline, N-(2-bromoethyl)-, hydrobromide",1005-66-9,12606985,N-(2-bromoethyl)aniline;hydrobromide,C1=CC=C(C=C1)NCCBr.Br,"InChI=1S/C8H10BrN.BrH/c9-6-7-10-8-4-2-1-3-5-8;/h1-5,10H,6-7H2;1H",MXNALQRSXHOIEA-UHFFFAOYSA-N,C8H11Br2N,280.99,280.92378,,12,79,0,2,1,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetanilide, 2-(diethylamino)-2',4',6'-trimethyl-, hydrochloride",1027-14-1,2843496,"2-(diethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride",CCN(CC)CC(=O)NC1=C(C=C(C=C1C)C)C.Cl,"InChI=1S/C15H24N2O.ClH/c1-6-17(7-2)10-14(18)16-15-12(4)8-11(3)9-13(15)5;/h8-9H,6-7,10H2,1-5H3,(H,16,18);1H",KOOGJYYOMPUGCW-UHFFFAOYSA-N,C15H25ClN2O,284.82,284.1655411,,32.3,251,0,2,2,5,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzeneethanamine, alpha,alpha-dimethyl-4-(trifluoromethyl)-, hydrochloride",1081-78-3,120993,2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-amine;hydrochloride,CC(C)(CC1=CC=C(C=C1)C(F)(F)F)N.Cl,"InChI=1S/C11H14F3N.ClH/c1-10(2,15)7-8-3-5-9(6-4-8)11(12,13)14;/h3-6H,7,15H2,1-2H3;1H",WLRUMJVHROEIQD-UHFFFAOYSA-N,C11H15ClF3N,253.69,253.0845117,,26,202,0,2,4,2,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethanone, 1-(5-bromo-2-hydroxyphenyl)-",1450-75-5,95991,1-(5-bromo-2-hydroxyphenyl)ethanone,CC(=O)C1=C(C=CC(=C1)Br)O,"InChI=1S/C8H7BrO2/c1-5(10)7-4-6(9)2-3-8(7)11/h2-4,11H,1H3",HQCCNFFIOWYINW-UHFFFAOYSA-N,C8H7BrO2,215.04,213.96294,2.7,37.3,158,0,1,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, 1-(o-methoxyphenyl)-2-thio-",1516-37-6,722774,(2-methoxyphenyl)thiourea,COC1=CC=CC=C1NC(=S)N,"InChI=1S/C8H10N2OS/c1-11-7-5-3-2-4-6(7)10-8(9)12/h2-5H,1H3,(H3,9,10,12)",HXCHZMHFZXNFIX-UHFFFAOYSA-N,C8H10N2OS,182.25,182.0513841,1.1,79.4,163,0,2,2,2,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetonitrile, (m-chlorophenyl)-",1529-41-5,73722,2-(3-chlorophenyl)acetonitrile,C1=CC(=CC(=C1)Cl)CC#N,"InChI=1S/C8H6ClN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4H2",GTIKLPYCSAMPNG-UHFFFAOYSA-N,C8H6ClN,151.59,151.0188769,2.5,23.8,147,0,0,1,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 3-(aminosulfonyl)-4-fluoro-",1535-45-1,684842,4-fluoro-3-sulfamoylbenzoic acid,C1=CC(=C(C=C1C(=O)O)S(=O)(=O)N)F,"InChI=1S/C7H6FNO4S/c8-5-2-1-4(7(10)11)3-6(5)14(9,12)13/h1-3H,(H,10,11)(H2,9,12,13)",NGBMRUQCUCRKQN-UHFFFAOYSA-N,C7H6FNO4S,219.19,219.000157,0.1,106,323,0,2,6,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, (p-isobutylphenyl)-",1553-60-2,15250,2-[4-(2-methylpropyl)phenyl]acetic acid,CC(C)CC1=CC=C(C=C1)CC(=O)O,"InChI=1S/C12H16O2/c1-9(2)7-10-3-5-11(6-4-10)8-12(13)14/h3-6,9H,7-8H2,1-2H3,(H,13,14)",CYWFCPPBTWOZSF-UHFFFAOYSA-N,C12H16O2,192.25,192.1150297,3.1,37.3,179,0,1,2,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Butene, 1-phenyl-",1560-06-1,5356732,[(E)-but-2-enyl]benzene,C/C=C/CC1=CC=CC=C1,"InChI=1S/C10H12/c1-2-3-7-10-8-5-4-6-9-10/h2-6,8-9H,7H2,1H3/b3-2+",VUKHQPGJNTXTPY-NSCUHMNNSA-N,C10H12,132.2,132.0939004,3.5,0,96,0,0,0,2,10,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Benzenesulfonamide, 4-acetyl-",1565-17-9,74065,4-acetylbenzenesulfonamide,CC(=O)C1=CC=C(C=C1)S(=O)(=O)N,"InChI=1S/C8H9NO3S/c1-6(10)7-2-4-8(5-3-7)13(9,11)12/h2-5H,1H3,(H2,9,11,12)",CSATVXJBGFVJES-UHFFFAOYSA-N,C8H9NO3S,199.23,199.0303143,0.2,85.6,283,0,1,4,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzyl alcohol, alpha-ethyl-alpha-methyl-",1565-75-9,15283,2-phenylbutan-2-ol,CCC(C)(C1=CC=CC=C1)O,"InChI=1S/C10H14O/c1-3-10(2,11)9-7-5-4-6-8-9/h4-8,11H,3H2,1-2H3",XGLHYBVJPSZXIF-UHFFFAOYSA-N,C10H14O,150.22,150.1044651,2.2,20.2,116,0,1,1,2,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cinnamic acid, p-chloro-",1615-02-7,637797,(E)-3-(4-chlorophenyl)prop-2-enoic acid,C1=CC(=CC=C1/C=C/C(=O)O)Cl,"InChI=1S/C9H7ClO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)/b6-3+",GXLIFJYFGMHYDY-ZZXKWVIFSA-N,C9H7ClO2,182.6,182.0134572,2.4,37.3,181,0,1,2,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"m-Cresol, 6-ethyl-",1687-61-2,15523,2-ethyl-5-methylphenol,CCC1=C(C=C(C=C1)C)O,"InChI=1S/C9H12O/c1-3-8-5-4-7(2)6-9(8)10/h4-6,10H,3H2,1-2H3",LTRVUFFOMIUCPJ-UHFFFAOYSA-N,C9H12O,136.19,136.088815,2.8,20.2,101,0,1,1,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphorothioic acid, O,O-diethyl O-(4-(methylthio)-m-tolyl) ester",1716-09-2,74390,diethoxy-(3-methyl-4-methylsulfanylphenoxy)-sulfanylidene-lambda5-phosphane,CCOP(=S)(OCC)OC1=CC(=C(C=C1)SC)C,"InChI=1S/C12H19O3PS2/c1-5-13-16(17,14-6-2)15-11-7-8-12(18-4)10(3)9-11/h7-9H,5-6H2,1-4H3",WGWJBWHBOKETRC-UHFFFAOYSA-N,C12H19O3PS2,306.4,306.0513238,5,85.1,278,0,0,5,7,18,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, (o-tolyloxy)-",1878-49-5,74651,2-(2-methylphenoxy)acetic acid,CC1=CC=CC=C1OCC(=O)O,"InChI=1S/C9H10O3/c1-7-4-2-3-5-8(7)12-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)",QJVXBRUGKLCUMY-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,2,46.5,156,0,1,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, (o-methoxyphenoxy)-",1878-85-9,15882,2-(2-methoxyphenoxy)acetic acid,COC1=CC=CC=C1OCC(=O)O,"InChI=1S/C9H10O4/c1-12-7-4-2-3-5-8(7)13-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)",IHONYPFTXGQWAX-UHFFFAOYSA-N,C9H10O4,182.17,182.0579088,1,55.8,169,0,1,4,4,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzonitrile, 3,4,5-trimethoxy-",1885-35-4,15892,"3,4,5-trimethoxybenzonitrile",COC1=CC(=CC(=C1OC)OC)C#N,"InChI=1S/C10H11NO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,1-3H3",OSBQUSPVORCDCU-UHFFFAOYSA-N,C10H11NO3,193.2,193.0738932,1.2,51.5,209,0,0,4,3,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, p-(N-(2-hydroxyethyl)formimidoyl)-",1952-37-0,121565,4-(2-hydroxyethyliminomethyl)phenol,C1=CC(=CC=C1C=NCCO)O,"InChI=1S/C9H11NO2/c11-6-5-10-7-8-1-3-9(12)4-2-8/h1-4,7,11-12H,5-6H2",YBIMGWHAVLSEEF-UHFFFAOYSA-N,C9H11NO2,165.19,165.0789786,0.5,52.8,139,0,2,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 2,4,6-triiodo-",2012-31-9,16196,"2,4,6-triiodobenzoic acid",C1=C(C=C(C(=C1I)C(=O)O)I)I,"InChI=1S/C7H3I3O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12)",CRVYPNHLIAWRNV-UHFFFAOYSA-N,C7H3I3O2,499.81,499.7267,3.4,37.3,173,0,1,2,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzene, 1,3-dichloro-2-(chloromethyl)-",2014-83-7,74832,"1,3-dichloro-2-(chloromethyl)benzene",C1=CC(=C(C(=C1)Cl)CCl)Cl,"InChI=1S/C7H5Cl3/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2",LBOBESSDSGODDD-UHFFFAOYSA-N,C7H5Cl3,195.5,193.945683,3.6,0,95,0,0,0,1,10,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"Ether, pentyl phenyl",4/6/50,16298,pentoxybenzene,CCCCCOC1=CC=CC=C1,"InChI=1S/C11H16O/c1-2-3-7-10-12-11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3",HPUOAJPGWQQRNT-UHFFFAOYSA-N,C11H16O,164.24,164.1201151,3.9,9.2,95,0,0,1,5,12,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 4-isothiocyanato-",2131-62-6,242946,4-isothiocyanatobenzoic acid,C1=CC(=CC=C1C(=O)O)N=C=S,"InChI=1S/C8H5NO2S/c10-8(11)6-1-3-7(4-2-6)9-5-12/h1-4H,(H,10,11)",RBEFRYQKJYMLCC-UHFFFAOYSA-N,C8H5NO2S,179.2,179.0040996,3.5,81.8,215,0,1,4,2,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrocatechol, 3-isopropyl-",2138-48-9,16498,"3-propan-2-ylbenzene-1,2-diol",CC(C)C1=C(C(=CC=C1)O)O,"InChI=1S/C9H12O2/c1-6(2)7-4-3-5-8(10)9(7)11/h3-6,10-11H,1-2H3",XLZHGKDRKSKCAU-UHFFFAOYSA-N,C9H12O2,152.19,152.0837296,2.3,40.5,123,0,2,2,1,11,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzene, 2,4-diisocyanato-1,3,5-tris(1-methylethyl)-",2162-73-4,75099,"2,4-diisocyanato-1,3,5-tri(propan-2-yl)benzene",CC(C)C1=CC(=C(C(=C1N=C=O)C(C)C)N=C=O)C(C)C,"InChI=1S/C17H22N2O2/c1-10(2)13-7-14(11(3)4)17(19-9-21)15(12(5)6)16(13)18-8-20/h7,10-12H,1-6H3",AZAKSPACDDRBQB-UHFFFAOYSA-N,C17H22N2O2,286.37,286.1681279,6.9,58.9,396,0,0,4,5,21,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"Guanidine, benzyl-",2211-57-6,16644,2-benzylguanidine,C1=CC=C(C=C1)CN=C(N)N,"InChI=1S/C8H11N3/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,9,10,11)",ABSNGNUGFQIDDO-UHFFFAOYSA-N,C8H11N3,149.19,149.0952974,0.3,64.4,132,0,2,1,2,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzene, 1,3-difluoro-5-nitro-",2265-94-3,75272,"1,3-difluoro-5-nitrobenzene",C1=C(C=C(C=C1F)F)[N+](=O)[O-],InChI=1S/C6H3F2NO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H,AUQBBDWDLJSKMI-UHFFFAOYSA-N,C6H3F2NO2,159.09,159.0131847,2.1,45.8,149,0,0,4,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, 1-(p-methoxyphenyl)-2-thio-",7/4/93,667549,(4-methoxyphenyl)thiourea,COC1=CC=C(C=C1)NC(=S)N,"InChI=1S/C8H10N2OS/c1-11-7-4-2-6(3-5-7)10-8(9)12/h2-5H,1H3,(H3,9,10,12)",SRYLJBWDZZMDSK-UHFFFAOYSA-N,C8H10N2OS,182.25,182.0513841,1.1,79.4,155,0,2,2,2,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"o-Cresol, 4-bromo-",12/1/62,16896,4-bromo-2-methylphenol,CC1=C(C=CC(=C1)Br)O,"InChI=1S/C7H7BrO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3",IWJGMJHAIUBWKT-UHFFFAOYSA-N,C7H7BrO,187.03,185.96803,2,20.2,94,0,1,1,0,9,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenecarbothioamide, 4-methoxy-",2362-64-3,736827,4-methoxybenzenecarbothioamide,COC1=CC=C(C=C1)C(=S)N,"InChI=1S/C8H9NOS/c1-10-7-4-2-6(3-5-7)8(9)11/h2-5H,1H3,(H2,9,11)",WKWVTPKUHJOVTI-UHFFFAOYSA-N,C8H9NOS,167.23,167.0404851,1.6,67.3,141,0,1,2,2,11,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"p-Cresol, 2,6-dibromo-",2432-14-6,17078,"2,6-dibromo-4-methylphenol",CC1=CC(=C(C(=C1)Br)O)Br,"InChI=1S/C7H6Br2O/c1-4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H3",FIGPGTJKHFAYRK-UHFFFAOYSA-N,C7H6Br2O,265.93,265.87649,3.3,20.2,106,0,1,1,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, mercaptophenyl-, ethyl ester, S-ester with O,O-dimethyl phosphorodithioate",3/7/97,17435,ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate,CCOC(=O)C(C1=CC=CC=C1)SP(=S)(OC)OC,"InChI=1S/C12H17O4PS2/c1-4-16-12(13)11(10-8-6-5-7-9-10)19-17(18,14-2)15-3/h5-9,11H,4H2,1-3H3",XAMUDJHXFNRLCY-UHFFFAOYSA-N,C12H17O4PS2,320.4,320.0305884,3.7,102,324,0,0,6,8,19,165-170 °C,70-80 °C at 2-5X10-5 mm Hg,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 2-(diethylamino)ethyl ester, hydrochloride",2618-38-4,197768,2-(diethylamino)ethyl benzoate;hydrochloride,CCN(CC)CCOC(=O)C1=CC=CC=C1.Cl,"InChI=1S/C13H19NO2.ClH/c1-3-14(4-2)10-11-16-13(15)12-8-6-5-7-9-12;/h5-9H,3-4,10-11H2,1-2H3;1H",WWHDJYBSTCEGPD-UHFFFAOYSA-N,C13H20ClNO2,257.75,257.1182566,,29.5,196,0,1,3,7,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Carbamic acid, methyl-, 3,5-xylyl ester",2655-14-3,17563,"(3,5-dimethylphenyl) N-methylcarbamate",CC1=CC(=CC(=C1)OC(=O)NC)C,"InChI=1S/C10H13NO2/c1-7-4-8(2)6-9(5-7)13-10(12)11-3/h4-6H,1-3H3,(H,11,12)",CVQODEWAPZVVBU-UHFFFAOYSA-N,C10H13NO2,179.22,179.0946287,2.2,38.3,172,0,1,2,2,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Malononitrile, (o-methoxybenzylidene)-",10/8/34,17813,2-[(2-methoxyphenyl)methylidene]propanedinitrile,COC1=CC=CC=C1C=C(C#N)C#N,"InChI=1S/C11H8N2O/c1-14-11-5-3-2-4-10(11)6-9(7-12)8-13/h2-6H,1H3",YCZZNGRKFVBLDL-UHFFFAOYSA-N,C11H8N2O,184.19,184.0636629,1.8,56.8,297,0,0,3,2,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzeneacetonitrile, 2-chloro-",2856-63-5,76112,2-(2-chlorophenyl)acetonitrile,C1=CC=C(C(=C1)CC#N)Cl,"InChI=1S/C8H6ClN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5H2",MRDUURPIPLIGQX-UHFFFAOYSA-N,C8H6ClN,151.59,151.0188769,2.2,23.8,147,0,0,1,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, N-benzyl-2-bromo-",3/1/45,145664,N-benzyl-2-bromoacetamide,C1=CC=C(C=C1)CNC(=O)CBr,"InChI=1S/C9H10BrNO/c10-6-9(12)11-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)",SXCURSCBIMAPDV-UHFFFAOYSA-N,C9H10BrNO,228.09,226.99458,2,29.1,143,0,1,1,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzonitrile, 3,5-diiodo-4-hydroxy-, sodium salt",2961-62-8,23666695,"sodium 4-cyano-2,6-diiodophenolate",C1=C(C=C(C(=C1I)[O-])I)C#N.[Na+],"InChI=1S/C7H3I2NO.Na/c8-5-1-4(3-10)2-6(9)7(5)11;/h1-2,11H;/q;+1/p-1",QGKPUZOFTJQTHL-UHFFFAOYSA-M,C7H2I2NNaO,392.9,392.81235,,46.9,181,0,0,2,0,12,,,1,1,1,1,0,0,1,1,0,0,0,0,0,1,0,0,0,0,1,0
"Acetic acid, 2-(2,3-dichlorophenoxy)-",2976-74-1,18105,"2-(2,3-dichlorophenoxy)acetic acid",C1=CC(=C(C(=C1)Cl)Cl)OCC(=O)O,"InChI=1S/C8H6Cl2O3/c9-5-2-1-3-6(8(5)10)13-4-7(11)12/h1-3H,4H2,(H,11,12)",RBJIGQRZLITQJG-UHFFFAOYSA-N,C8H6Cl2O3,221.03,219.9693994,2.5,46.5,186,0,1,3,3,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, 3-(p-bromophenyl)-1-methoxy-1-methyl-",3060-89-7,18290,3-(4-bromophenyl)-1-methoxy-1-methylurea,CN(C(=O)NC1=CC=C(C=C1)Br)OC,"InChI=1S/C9H11BrN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)",WLFDQEVORAMCIM-UHFFFAOYSA-N,C9H11BrN2O2,259.1,258.00039,2.4,41.6,193,0,1,2,2,14,,,1,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"Phosphorothioic acid, O,O-diethyl ester, O-ester with N,N-dimethyl-p-hydroxybenzenesulfonamide",3078-97-5,200999,"4-diethoxyphosphinothioyloxy-N,N-dimethylbenzenesulfonamide",CCOP(=S)(OCC)OC1=CC=C(C=C1)S(=O)(=O)N(C)C,"InChI=1S/C12H20NO5PS2/c1-5-16-19(20,17-6-2)18-11-7-9-12(10-8-11)21(14,15)13(3)4/h7-10H,5-6H2,1-4H3",RQRGLPSXUHGMES-UHFFFAOYSA-N,C12H20NO5PS2,353.4,353.0520521,2.5,106,445,0,0,7,8,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-Benzenediamine, 2,4,6-trimethyl-",3102-70-3,76547,"2,4,6-trimethylbenzene-1,3-diamine",CC1=CC(=C(C(=C1N)C)N)C,"InChI=1S/C9H14N2/c1-5-4-6(2)9(11)7(3)8(5)10/h4H,10-11H2,1-3H3",ZVDSMYGTJDFNHN-UHFFFAOYSA-N,C9H14N2,150.22,150.1156985,1.7,52,122,0,2,2,0,11,,,0,1,1,1,0,0,1,1,0,0,1,0,0,0,0,0,1,0,0,1
"Isothiocyanic acid, m-phenylene ester",3125-77-7,18404,"1,3-diisothiocyanatobenzene",C1=CC(=CC(=C1)N=C=S)N=C=S,InChI=1S/C8H4N2S2/c11-5-9-7-2-1-3-8(4-7)10-6-12/h1-4H,BOLANQNHTGVOMY-UHFFFAOYSA-N,C8H4N2S2,192.3,191.9815905,4.8,88.9,215,0,0,4,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"Phosphorothioic acid, S-(p-chlorophenyl) O,O-dimethyl ester",3309-87-3,76818,1-chloro-4-dimethoxyphosphorylsulfanylbenzene,COP(=O)(OC)SC1=CC=C(C=C1)Cl,"InChI=1S/C8H10ClO3PS/c1-11-13(10,12-2)14-8-5-3-7(9)4-6-8/h3-6H,1-2H3",MUPYMRJBEZFVMT-UHFFFAOYSA-N,C8H10ClO3PS,252.66,251.97768,2.1,60.8,211,0,0,4,4,14,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 3,5-dichloro-4-hydroxy-",3336-41-2,18749,"3,5-dichloro-4-hydroxybenzoic acid",C1=C(C=C(C(=C1Cl)O)Cl)C(=O)O,"InChI=1S/C7H4Cl2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)",AULKDLUOQCUNOK-UHFFFAOYSA-N,C7H4Cl2O3,207.01,205.9537494,2.6,57.5,173,0,2,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, ((p-chlorophenyl)thio)-",3405-88-7,55471,2-(4-chlorophenyl)sulfanylacetic acid,C1=CC(=CC=C1SCC(=O)O)Cl,"InChI=1S/C8H7ClO2S/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)",YPKLXLYGMAWXDO-UHFFFAOYSA-N,C8H7ClO2S,202.66,201.9855283,2.5,62.6,155,0,1,3,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, 2-(p-butoxyphenyl)-",3413-59-0,76952,2-(4-butoxyphenyl)acetamide,CCCCOC1=CC=C(C=C1)CC(=O)N,"InChI=1S/C12H17NO2/c1-2-3-8-15-11-6-4-10(5-7-11)9-12(13)14/h4-7H,2-3,8-9H2,1H3,(H2,13,14)",RSMPEQBSFXBQMJ-UHFFFAOYSA-N,C12H17NO2,207.27,207.1259288,2.2,52.3,186,0,1,2,6,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 3-(2-aminoethyl)-, hydrochloride",3458-98-8,77001,3-(2-aminoethyl)phenol;hydrochloride,C1=CC(=CC(=C1)O)CCN.Cl,"InChI=1S/C8H11NO.ClH/c9-5-4-7-2-1-3-8(10)6-7;/h1-3,6,10H,4-5,9H2;1H",GTIWCKXKQGMMQZ-UHFFFAOYSA-N,C8H12ClNO,173.64,173.0607417,,46.3,95,0,3,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Butyric acid, 3-methyl-2-phenyl-",3508-94-9,19024,3-methyl-2-phenylbutanoic acid,CC(C)C(C1=CC=CC=C1)C(=O)O,"InChI=1S/C11H14O2/c1-8(2)10(11(12)13)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,12,13)",HDLQGISFYDYWFJ-UHFFFAOYSA-N,C11H14O2,178.23,178.0993797,2.7,37.3,169,0,1,2,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,0
"Isothiocyanic acid, p-methylbenzyl ester",3694-46-0,19409,1-(isothiocyanatomethyl)-4-methylbenzene,CC1=CC=C(C=C1)CN=C=S,"InChI=1S/C9H9NS/c1-8-2-4-9(5-3-8)6-10-7-11/h2-5H,6H2,1H3",OAXIUBJXQISJEV-UHFFFAOYSA-N,C9H9NS,163.24,163.0455705,3.5,44.5,153,0,0,2,2,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphorothioic acid, O,O-dimethyl O-(4-(methylsulfinyl)-m-tolyl) ester",3761-41-9,19577,dimethoxy-(3-methyl-4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane,CC1=C(C=CC(=C1)OP(=S)(OC)OC)S(=O)C,"InChI=1S/C10H15O4PS2/c1-8-7-9(5-6-10(8)17(4)11)14-15(16,12-2)13-3/h5-7H,1-4H3",DLAPIMGBBDILHJ-UHFFFAOYSA-N,C10H15O4PS2,294.3,294.0149383,2.7,96.1,315,0,0,6,5,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Biguanide, 1-(p-chlorophenyl)-, monohydrochloride",4022-81-5,458746,2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine;hydrochloride,C1=CC(=CC=C1N=C(N)N=C(N)N)Cl.Cl,"InChI=1S/C8H10ClN5.ClH/c9-5-1-3-6(4-2-5)13-8(12)14-7(10)11;/h1-4H,(H6,10,11,12,13,14);1H",NAFSLMFLGYXGIF-UHFFFAOYSA-N,C8H11Cl2N5,248.11,247.0391508,,103,238,0,4,1,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-Butanedione, 1-(4-nitrophenyl)-",4023-82-9,95162,"1-(4-nitrophenyl)butane-1,3-dione",CC(=O)CC(=O)C1=CC=C(C=C1)[N+](=O)[O-],"InChI=1S/C10H9NO4/c1-7(12)6-10(13)8-2-4-9(5-3-8)11(14)15/h2-5H,6H2,1H3",UUFHFNDYTYXICJ-UHFFFAOYSA-N,C10H9NO4,207.18,207.0531578,1.4,80,274,0,0,4,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, p-hydroxy-, isopropyl ester",4191-73-5,20161,propan-2-yl 4-hydroxybenzoate,CC(C)OC(=O)C1=CC=C(C=C1)O,"InChI=1S/C10H12O3/c1-7(2)13-10(12)8-3-5-9(11)6-4-8/h3-7,11H,1-2H3",CMHMMKSPYOOVGI-UHFFFAOYSA-N,C10H12O3,180.2,180.0786442,2.8,46.5,169,0,1,3,3,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"Benzonitrile, 3,5-dimethyl-4-hydroxy-",4198-90-7,20176,"4-hydroxy-3,5-dimethylbenzonitrile",CC1=CC(=CC(=C1O)C)C#N,"InChI=1S/C9H9NO/c1-6-3-8(5-10)4-7(2)9(6)11/h3-4,11H,1-2H3",WFYGXOWFEIOHCZ-UHFFFAOYSA-N,C9H9NO,147.17,147.0684139,1.1,44,169,0,1,2,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"p-Anisic acid, 3,5-diiodo-",11/6/53,20251,"3,5-diiodo-4-methoxybenzoic acid",COC1=C(C=C(C=C1I)C(=O)O)I,"InChI=1S/C8H6I2O3/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3H,1H3,(H,11,12)",BEJIHFBBVHZYJN-UHFFFAOYSA-N,C8H6I2O3,403.94,403.84064,2.7,46.5,186,0,1,3,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-Benzenedicarboxylic acid, monomethyl ester",4376-18-5,20392,2-methoxycarbonylbenzoic acid,COC(=O)C1=CC=CC=C1C(=O)O,"InChI=1S/C9H8O4/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-5H,1H3,(H,10,11)",FNJSWIPFHMKRAT-UHFFFAOYSA-N,C9H8O4,180.16,180.0422587,1.1,63.6,212,0,1,4,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, trichloro-, compd. with 1,1-dimethyl-3-phenylurea (1:1)",4482-55-7,20565,"dimethyl(phenylcarbamoyl)azanium;2,2,2-trichloroacetate",C[NH+](C)C(=O)NC1=CC=CC=C1.C(=O)(C(Cl)(Cl)Cl)[O-],"InChI=1S/C9H12N2O.C2HCl3O2/c1-11(2)9(12)10-8-6-4-3-5-7-8;3-2(4,5)1(6)7/h3-7H,1-2H3,(H,10,12);(H,6,7)",XDWSZOWLJIWERG-UHFFFAOYSA-N,C11H13Cl3N2O3,327.6,325.999175,,73.7,229,0,2,3,1,19,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"m-Cresol, 2,4,6-tribromo-",4619-74-3,20737,"2,4,6-tribromo-3-methylphenol",CC1=C(C(=C(C=C1Br)Br)O)Br,"InChI=1S/C7H5Br3O/c1-3-4(8)2-5(9)7(11)6(3)10/h2,11H,1H3",QKHROXOPRBWBDD-UHFFFAOYSA-N,C7H5Br3O,344.83,343.787,4,20.2,142,0,1,1,0,11,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, 2-hydroxy-N-phenyl-",4746-61-6,264260,2-hydroxy-N-phenylacetamide,C1=CC=C(C=C1)NC(=O)CO,"InChI=1S/C8H9NO2/c10-6-8(11)9-7-4-2-1-3-5-7/h1-5,10H,6H2,(H,9,11)",PJFNNMFXEVADGK-UHFFFAOYSA-N,C8H9NO2,151.16,151.0633285,0.7,49.3,130,0,2,2,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzyl alcohol, alpha-aminomethyl-3-hydroxy-, hydrochloride",4779-94-6,3016408,3-(2-amino-1-hydroxyethyl)phenol;hydrochloride,C1=CC(=CC(=C1)O)C(CN)O.Cl,"InChI=1S/C8H11NO2.ClH/c9-5-8(11)6-2-1-3-7(10)4-6;/h1-4,8,10-11H,5,9H2;1H",OWMFSWZUAWKDRR-UHFFFAOYSA-N,C8H12ClNO2,189.64,189.0556563,,66.5,119,0,4,3,2,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, 1-(2,5-dichlorophenyl)-2-thio-",4949-85-3,2731095,"(2,5-dichlorophenyl)thiourea",C1=CC(=C(C=C1Cl)NC(=S)N)Cl,"InChI=1S/C7H6Cl2N2S/c8-4-1-2-5(9)6(3-4)11-7(10)12/h1-3H,(H3,10,11,12)",UQCOANNCPUOZNW-UHFFFAOYSA-N,C7H6Cl2N2S,221.11,219.9628748,2.2,70.1,177,0,2,1,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Styrene, beta-nitro-, (E)-",5153-67-3,5284459,[(E)-2-nitroethenyl]benzene,C1=CC=C(C=C1)/C=C/[N+](=O)[O-],InChI=1S/C8H7NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+,PIAOLBVUVDXHHL-VOTSOKGWSA-N,C8H7NO2,149.15,149.0476785,2.1,45.8,154,0,0,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, ((4-chloro-o-tolyl)oxy)-, potassium salt",5221-16-9,23682017,potassium 2-(4-chloro-2-methylphenoxy)acetate,CC1=C(C=CC(=C1)Cl)OCC(=O)[O-].[K+],"InChI=1S/C9H9ClO3.K/c1-6-4-7(10)2-3-8(6)13-5-9(11)12;/h2-4H,5H2,1H3,(H,11,12);/q;+1/p-1",ORHJUFUQMQEFPQ-UHFFFAOYSA-M,C9H8ClKO3,238.71,237.9799033,,49.4,189,0,0,3,3,14,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"m-Anisic acid, 2-(methylamino)-, methyl ester, hydrochloride",5296-80-0,12309005,methyl 3-methoxy-2-(methylamino)benzoate;hydrochloride,CNC1=C(C=CC=C1OC)C(=O)OC.Cl,"InChI=1S/C10H13NO3.ClH/c1-11-9-7(10(12)14-3)5-4-6-8(9)13-2;/h4-6,11H,1-3H3;1H",JIHJWSWOEPWMGM-UHFFFAOYSA-N,C10H14ClNO3,231.67,231.066221,,47.6,196,0,2,4,4,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
p-Anisamidoxime,5373-87-5,5360053,N'-hydroxy-4-methoxybenzenecarboximidamide,COC1=CC=C(C=C1)/C(=N/O)/N,"InChI=1S/C8H10N2O2/c1-12-7-4-2-6(3-5-7)8(9)10-11/h2-5,11H,1H3,(H2,9,10)",WVALRFKCJCIVBR-UHFFFAOYSA-N,C8H10N2O2,166.18,166.0742276,1.1,67.8,162,0,2,3,2,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzaldehyde, 2,4-dihydroxy-, oxime",5399-68-8,135408746,"4-[(E)-hydroxyiminomethyl]benzene-1,3-diol",C1=CC(=C(C=C1O)O)/C=N/O,"InChI=1S/C7H7NO3/c9-6-2-1-5(4-8-11)7(10)3-6/h1-4,9-11H/b8-4+",YIAZXUFZAYNWTP-XBXARRHUSA-N,C7H7NO3,153.14,153.0425931,0.9,73.1,149,0,3,4,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzamide, N-isopropyl-",5440-69-7,79503,N-propan-2-ylbenzamide,CC(C)NC(=O)C1=CC=CC=C1,"InChI=1S/C10H13NO/c1-8(2)11-10(12)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)",INOVPKZAEASFME-UHFFFAOYSA-N,C10H13NO,163.22,163.099714,2,29.1,148,0,1,1,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Sulfide, 2-chloroethyl p-nitrophenyl",5535-73-9,79666,1-(2-chloroethylsulfanyl)-4-nitrobenzene,C1=CC(=CC=C1[N+](=O)[O-])SCCCl,"InChI=1S/C8H8ClNO2S/c9-5-6-13-8-3-1-7(2-4-8)10(11)12/h1-4H,5-6H2",XSHHJXAFSBWTJU-UHFFFAOYSA-N,C8H8ClNO2S,217.67,216.9964274,2.9,71.1,166,0,0,3,3,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cinnamylamine, hydrochloride",5586-89-0,6444486,(E)-3-phenylprop-2-en-1-amine;hydrochloride,C1=CC=C(C=C1)/C=C/CN.Cl,"InChI=1S/C9H11N.ClH/c10-8-4-7-9-5-2-1-3-6-9;/h1-7H,8,10H2;1H/b7-4+;",RHJVYCBQGSIGEG-KQGICBIGSA-N,C9H12ClN,169.65,169.0658271,,26,101,0,2,1,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Anthranilic acid, 5-bromo-",5794-88-7,79858,2-amino-5-bromobenzoic acid,C1=CC(=C(C=C1Br)C(=O)O)N,"InChI=1S/C7H6BrNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)",CUKXRHLWPSBCTI-UHFFFAOYSA-N,C7H6BrNO2,216.03,214.95819,1.6,63.3,163,0,2,3,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, 3-methoxy-",5813-86-5,98487,3-methoxybenzamide,COC1=CC=CC(=C1)C(=O)N,"InChI=1S/C8H9NO2/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H2,9,10)",VKPLPDIMEREJJF-UHFFFAOYSA-N,C8H9NO2,151.16,151.0633285,0.9,52.3,147,0,1,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Triazenecarboxamide, 1-(3,4-dichlorophenyl)thio-",5836-73-7,5483266,"(E)-[(3,4-dichlorophenyl)hydrazinylidene]thiourea",C1=CC(=C(C=C1N/N=N/C(=S)N)Cl)Cl,"InChI=1S/C7H6Cl2N4S/c8-5-2-1-4(3-6(5)9)11-13-12-7(10)14/h1-3H,(H3,10,11,12,14)",BOQUJWASRWDQOS-UHFFFAOYSA-N,C7H6Cl2N4S,249.12,247.9690228,4.1,94.9,236,0,2,3,2,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Butyric acid, 4-((4-chloro-o-tolyl)oxy)-, sodium salt",6062-26-6,23675729,sodium 4-(4-chloro-2-methylphenoxy)butanoate,CC1=C(C=CC(=C1)Cl)OCCCC(=O)[O-].[Na+],"InChI=1S/C11H13ClO3.Na/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14;/h4-5,7H,2-3,6H2,1H3,(H,13,14);/q;+1/p-1",GABUSZPTCJGKGB-UHFFFAOYSA-M,C11H12ClNaO3,250.65,250.0372662,,49.4,213,0,0,3,5,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphoric acid, diethyl p-(methylsulfonyl)phenyl ester",6132-17-8,80214,diethyl (4-methylsulfonylphenyl) phosphate,CCOP(=O)(OCC)OC1=CC=C(C=C1)S(=O)(=O)C,"InChI=1S/C11H17O6PS/c1-4-15-18(12,16-5-2)17-10-6-8-11(9-7-10)19(3,13)14/h6-9H,4-5H2,1-3H3",KUBUBYBFFRVFHD-UHFFFAOYSA-N,C11H17O6PS,308.29,308.0483464,1.5,87.3,397,0,0,6,7,19,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"p-Toluenesulfonic acid, 2-propynyl ester",6165-76-0,22547,prop-2-ynyl 4-methylbenzenesulfonate,CC1=CC=C(C=C1)S(=O)(=O)OCC#C,"InChI=1S/C10H10O3S/c1-3-8-13-14(11,12)10-6-4-9(2)5-7-10/h1,4-7H,8H2,2H3",LMBVCSFXFFROTA-UHFFFAOYSA-N,C10H10O3S,210.25,210.0350654,1.7,51.8,309,0,0,3,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hydrocinnamic acid, alpha,beta-dibromo-",6286-30-2,22705,"2,3-dibromo-3-phenylpropanoic acid",C1=CC=C(C=C1)C(C(C(=O)O)Br)Br,"InChI=1S/C9H8Br2O2/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8H,(H,12,13)",FXJWTHBNVZNQQP-UHFFFAOYSA-N,C9H8Br2O2,307.97,307.88706,2.9,37.3,178,0,1,2,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"p-Arsanilic acid, 2-hydroxy-",6318-57-6,22773,(4-amino-2-hydroxyphenyl)arsonic acid,C1=CC(=C(C=C1N)O)[As](=O)(O)O,"InChI=1S/C6H8AsNO4/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3,9H,8H2,(H2,10,11,12)",AKYBBBJGFPEQLG-UHFFFAOYSA-N,C6H8AsNO4,233.05,232.966927,,104,204,0,4,5,1,12,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Carbamic acid, methyl-, 4-(diallylamino)-3,5-xylyl ester",6392-46-7,22890,"[4-[bis(prop-2-enyl)amino]-3,5-dimethylphenyl] N-methylcarbamate",CC1=CC(=CC(=C1N(CC=C)CC=C)C)OC(=O)NC,"InChI=1S/C16H22N2O2/c1-6-8-18(9-7-2)15-12(3)10-14(11-13(15)4)20-16(19)17-5/h6-7,10-11H,1-2,8-9H2,3-5H3,(H,17,19)",FBEHFRAORPEGFH-UHFFFAOYSA-N,C16H22N2O2,274.36,274.1681279,3.8,41.6,321,0,1,3,7,20,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphoric acid, dimethyl 4-(methylsulfinyl)-m-tolyl ester",6552-13-2,23047,dimethyl (3-methyl-4-methylsulfinylphenyl) phosphate,CC1=C(C=CC(=C1)OP(=O)(OC)OC)S(=O)C,"InChI=1S/C10H15O5PS/c1-8-7-9(5-6-10(8)17(4)12)15-16(11,13-2)14-3/h5-7H,1-4H3",GTZCKTIZOGTWQO-UHFFFAOYSA-N,C10H15O5PS,278.26,278.0377818,1,81,314,0,0,6,5,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Anisole, 2,3,5,6-tetrachloro-",6936-40-9,40774,"1,2,4,5-tetrachloro-3-methoxybenzene",COC1=C(C(=CC(=C1Cl)Cl)Cl)Cl,"InChI=1S/C7H4Cl4O/c1-12-7-5(10)3(8)2-4(9)6(7)11/h2H,1H3",WMMFIDNWZNCBCT-UHFFFAOYSA-N,C7H4Cl4O,245.9,245.898675,4.5,9.2,140,0,0,1,1,12,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,1
"Salicylic acid, 3-isopropyl-",7053-88-5,201887,2-hydroxy-3-propan-2-ylbenzoic acid,CC(C)C1=C(C(=CC=C1)C(=O)O)O,"InChI=1S/C10H12O3/c1-6(2)7-4-3-5-8(9(7)11)10(12)13/h3-6,11H,1-2H3,(H,12,13)",XGAYQDWZIPRBPF-UHFFFAOYSA-N,C10H12O3,180.2,180.0786442,3.6,57.5,189,0,2,3,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzyl alcohol, alpha-((tert-butylamino)methyl)-p-hydroxy-",7376-67-2,23844,4-[2-(tert-butylamino)-1-hydroxyethyl]phenol,CC(C)(C)NCC(C1=CC=C(C=C1)O)O,"InChI=1S/C12H19NO2/c1-12(2,3)13-8-11(15)9-4-6-10(14)7-5-9/h4-7,11,13-15H,8H2,1-3H3",JOGFUYPGDLRKHD-UHFFFAOYSA-N,C12H19NO2,209.28,209.1415788,0.4,52.5,181,0,3,3,4,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acrylophenone, 4'-methoxy-",7448-86-4,24017,1-(4-methoxyphenyl)prop-2-en-1-one,COC1=CC=C(C=C1)C(=O)C=C,"InChI=1S/C10H10O2/c1-3-10(11)8-4-6-9(12-2)7-5-8/h3-7H,1H2,2H3",YMESWDPSFKMFND-UHFFFAOYSA-N,C10H10O2,162.18,162.0680796,2.3,26.3,167,0,0,2,3,12,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Benzamidine, p-amino-, monohydrochloride",7761-72-0,122765,4-aminobenzenecarboximidamide;hydrochloride,C1=CC(=CC=C1C(=N)N)N.Cl,"InChI=1S/C7H9N3.ClH/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,8H2,(H3,9,10);1H",YAVZGKYMGKLGFB-UHFFFAOYSA-N,C7H10ClN3,171.63,171.056325,,75.9,125,0,4,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 3,6-dichloro-2-methoxy-, potassium salt",10007-85-9,23679265,"potassium 3,6-dichloro-2-methoxybenzoate",COC1=C(C=CC(=C1C(=O)[O-])Cl)Cl.[K+],"InChI=1S/C8H6Cl2O3.K/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;/h2-3H,1H3,(H,11,12);/q;+1/p-1",RVJMEWSAFHIEJX-UHFFFAOYSA-M,C8H5Cl2KO3,259.12,257.9252809,,49.4,203,0,0,3,2,14,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Aniline, 3-iodo-5-nitro-",10394-64-6,25225,3-iodo-5-nitroaniline,C1=C(C=C(C=C1[N+](=O)[O-])I)N,"InChI=1S/C6H5IN2O2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H,8H2",BKYNSFHBQVINES-UHFFFAOYSA-N,C6H5IN2O2,264.02,263.93957,1.7,71.8,159,0,1,3,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Ethanol, 2-((2-nitro-4-(trifluoromethyl)phenyl)amino)-",10442-83-8,2799157,2-[2-nitro-4-(trifluoromethyl)anilino]ethanol,C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NCCO,"InChI=1S/C9H9F3N2O3/c10-9(11,12)6-1-2-7(13-3-4-15)8(5-6)14(16)17/h1-2,5,13,15H,3-4H2",NJZCRXQWPNNJNB-UHFFFAOYSA-N,C9H9F3N2O3,250.17,250.0565266,2,78.1,267,0,2,7,3,17,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-, D-",13045-94-8,20189,(2R)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid,C1=CC(=CC=C1C[C@H](C(=O)O)N)N(CCCl)CCCl,"InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m1/s1",SGDBTWWWUNNDEQ-GFCCVEGCSA-N,C13H18Cl2N2O2,305.2,304.0745332,-0.5,66.6,265,0,2,4,8,19,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Acetamide, 2-chloro-N-phenethyl-",13156-95-1,94921,2-chloro-N-(2-phenylethyl)acetamide,C1=CC=C(C=C1)CCNC(=O)CCl,"InChI=1S/C10H12ClNO/c11-8-10(13)12-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)",LNWWGHNQLOXRTF-UHFFFAOYSA-N,C10H12ClNO,197.66,197.0607417,2.1,29.1,155,0,1,1,4,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, 2-(2,4-dimethylphenoxy)-",13334-49-1,83354,"2-(2,4-dimethylphenoxy)acetic acid",CC1=CC(=C(C=C1)OCC(=O)O)C,"InChI=1S/C10H12O3/c1-7-3-4-9(8(2)5-7)13-6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)",XRTZHWXWLUGOAT-UHFFFAOYSA-N,C10H12O3,180.2,180.0786442,2.3,46.5,179,0,1,3,3,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,5-Cyclohexadien-1-one, 2-chloro-4-hydroxyimino-",13362-35-1,99846,2-chloro-4-nitrosophenol,C1=CC(=C(C=C1N=O)Cl)O,"InChI=1S/C6H4ClNO2/c7-5-3-4(8-10)1-2-6(5)9/h1-3,9H",RHTVYQUNDOIUHF-UHFFFAOYSA-N,C6H4ClNO2,157.55,156.9930561,1.8,49.7,131,0,1,3,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2,5-Cyclohexadien-1-one, 3-bromo-4-hydroxyimino-",13362-38-4,99849,3-bromo-4-nitrosophenol,C1=CC(=C(C=C1O)Br)N=O,"InChI=1S/C6H4BrNO2/c7-5-3-4(9)1-2-6(5)8-10/h1-3,9H",ORVHTCOFHGULQZ-UHFFFAOYSA-N,C6H4BrNO2,202.01,200.94254,1.6,49.7,131,0,1,3,0,10,,,0,0,0,1,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Phthalic acid, tetrabromo-",13810-83-8,83638,"3,4,5,6-tetrabromophthalic acid",C1(=C(C(=C(C(=C1Br)Br)Br)Br)C(=O)O)C(=O)O,"InChI=1S/C8H2Br4O4/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11/h(H,13,14)(H,15,16)",XIRDTMSOGDWMOX-UHFFFAOYSA-N,C8H2Br4O4,481.71,481.66456,3.7,74.6,280,0,2,4,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cinnamaldehyde, beta-chloro-p-methoxy-",14063-79-7,6433596,(Z)-3-chloro-3-(4-methoxyphenyl)prop-2-enal,COC1=CC=C(C=C1)/C(=C/C=O)/Cl,"InChI=1S/C10H9ClO2/c1-13-9-4-2-8(3-5-9)10(11)6-7-12/h2-7H,1H3/b10-6-",ZDHOBXVUKIFNBV-POHAHGRESA-N,C10H9ClO2,196.63,196.0291072,2.2,26.3,193,0,0,2,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propanol, 1-(tert-butylamino)-3-(2-chloro-5-methylphenoxy)-",14556-46-8,2475,1-(tert-butylamino)-3-(2-chloro-5-methylphenoxy)propan-2-ol,CC1=CC(=C(C=C1)Cl)OCC(CNC(C)(C)C)O,"InChI=1S/C14H22ClNO2/c1-10-5-6-12(15)13(7-10)18-9-11(17)8-16-14(2,3)4/h5-7,11,16-17H,8-9H2,1-4H3",HQIRNZOQPUAHHV-UHFFFAOYSA-N,C14H22ClNO2,271.78,271.1339066,2.8,41.5,242,0,2,3,6,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzeneethanamine, N,alpha-dimethyl-N-2-propynyl-, (alpha-R)-",14611-51-9,26757,(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine,C[C@H](CC1=CC=CC=C1)N(C)CC#C,"InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1",MEZLKOACVSPNER-GFCCVEGCSA-N,C13H17N,187.28,187.1360995,2.8,3.2,195,0,0,1,4,14,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethanol, 2-(p-bromophenylthio)-",14703-92-5,203586,2-(4-bromophenyl)sulfanylethanol,C1=CC(=CC=C1SCCO)Br,"InChI=1S/C8H9BrOS/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4,10H,5-6H2",UWGLQIQQBTXBCJ-UHFFFAOYSA-N,C8H9BrOS,233.13,231.95575,2.5,45.5,102,0,1,2,3,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 4-amino-2,6-dimethyl-",15980-22-0,82668,"4-amino-2,6-dimethylphenol",CC1=CC(=CC(=C1O)C)N,"InChI=1S/C8H11NO/c1-5-3-7(9)4-6(2)8(5)10/h3-4,10H,9H2,1-2H3",OMVFXCQLSCPJNR-UHFFFAOYSA-N,C8H11NO,137.18,137.084064,0.7,46.3,104,0,2,2,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetanilide, 2',6'-dichloro-",17700-54-8,28698,"N-(2,6-dichlorophenyl)acetamide",CC(=O)NC1=C(C=CC=C1Cl)Cl,"InChI=1S/C8H7Cl2NO/c1-5(12)11-8-6(9)3-2-4-7(8)10/h2-4H,1H3,(H,11,12)",DWVWVSLAIJHBBG-UHFFFAOYSA-N,C8H7Cl2NO,204.05,202.9904692,1.3,29.1,164,0,1,1,1,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"m-Xylene-alpha,alpha'-diol, alpha'-((tert-butylamino)methyl)-4-hydroxy-",18559-94-9,2083,4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol,CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O,"InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3",NDAUXUAQIAJITI-UHFFFAOYSA-N,C13H21NO3,239.31,239.1521435,0.3,72.7,227,0,4,4,5,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Phenol, 4-bromo-2-ethyl-",18980-21-7,87877,4-bromo-2-ethylphenol,CCC1=C(C=CC(=C1)Br)O,"InChI=1S/C8H9BrO/c1-2-6-5-7(9)3-4-8(6)10/h3-5,10H,2H2,1H3",MAAADQMBQYSOOG-UHFFFAOYSA-N,C8H9BrO,201.06,199.98368,2.8,20.2,105,0,1,1,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Carbazic acid, dithio-3-phenyl-, ammonium salt",18995-90-9,3032688,azanium N-anilinocarbamodithioate,C1=CC=C(C=C1)NNC(=S)[S-].[NH4+],"InChI=1S/C7H8N2S2.H3N/c10-7(11)9-8-6-4-2-1-3-5-6;/h1-5,8H,(H2,9,10,11);1H3",QRYXMAGMGSGSRX-UHFFFAOYSA-N,C7H11N3S2,201.3,201.0394397,,58.2,127,0,3,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acrylanilide, 4'-hydroxy-2-methyl-",19243-95-9,29520,N-(4-hydroxyphenyl)-2-methylprop-2-enamide,CC(=C)C(=O)NC1=CC=C(C=C1)O,"InChI=1S/C10H11NO2/c1-7(2)10(13)11-8-3-5-9(12)6-4-8/h3-6,12H,1H2,2H3,(H,11,13)",XZSZONUJSGDIFI-UHFFFAOYSA-N,C10H11NO2,177.2,177.0789786,1.7,49.3,205,0,2,2,2,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenesulfonamide, 3,5-dichloro-",19797-32-1,705607,"3,5-dichlorobenzenesulfonamide",C1=C(C=C(C=C1Cl)Cl)S(=O)(=O)N,"InChI=1S/C6H5Cl2NO2S/c7-4-1-5(8)3-6(2-4)12(9,10)11/h1-3H,(H2,9,10,11)",AHNOVNYOUPQVRX-UHFFFAOYSA-N,C6H5Cl2NO2S,226.08,224.941805,1.7,68.5,239,0,1,3,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzyl alcohol, alpha-aminomethyl-m-trifluoromethyl-",21172-28-1,30514,2-amino-1-[3-(trifluoromethyl)phenyl]ethanol,C1=CC(=CC(=C1)C(F)(F)F)C(CN)O,"InChI=1S/C9H10F3NO/c10-9(11,12)7-3-1-2-6(4-7)8(14)5-13/h1-4,8,14H,5,13H2",RRBRWAPWPGAJMA-UHFFFAOYSA-N,C9H10F3NO,205.18,205.0714484,1,46.3,183,0,2,5,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"o-Toluic acid, 6-chloro-",21327-86-6,88870,2-chloro-6-methylbenzoic acid,CC1=C(C(=CC=C1)Cl)C(=O)O,"InChI=1S/C8H7ClO2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,1H3,(H,10,11)",CEFMMQYDPGCYMG-UHFFFAOYSA-N,C8H7ClO2,170.59,170.0134572,2.3,37.3,158,0,1,2,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-Xylidine, hydrochloride",21436-96-4,88898,"2,4-dimethylaniline;hydrochloride",CC1=CC(=C(C=C1)N)C.Cl,"InChI=1S/C8H11N.ClH/c1-6-3-4-8(9)7(2)5-6;/h3-5H,9H2,1-2H3;1H",HFXISSJBRAPVLG-UHFFFAOYSA-N,C8H12ClN,157.64,157.0658271,,26,90,0,2,1,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethanol, 1-(3,4-dichlorophenyl)-2,2,2-trichloro-, acetate",21757-82-4,89040,"[2,2,2-trichloro-1-(3,4-dichlorophenyl)ethyl] acetate",CC(=O)OC(C1=CC(=C(C=C1)Cl)Cl)C(Cl)(Cl)Cl,"InChI=1S/C10H7Cl5O2/c1-5(16)17-9(10(13,14)15)6-2-3-7(11)8(12)4-6/h2-4,9H,1H3",FSGNOVKGEXRRHD-UHFFFAOYSA-N,C10H7Cl5O2,336.4,335.885918,4.8,26.3,278,0,0,2,3,17,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"p-Acetanisidide, 2-chloro-",22303-36-2,31123,2-chloro-N-(4-methoxyphenyl)acetamide,COC1=CC=C(C=C1)NC(=O)CCl,"InChI=1S/C9H10ClNO2/c1-13-8-4-2-7(3-5-8)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)",RLUUKMWWYRMCPY-UHFFFAOYSA-N,C9H10ClNO2,199.63,199.0400063,1.7,38.3,167,0,1,2,3,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethanone, 1-(4-(acetyloxy)-3-((acetyloxy)methyl)phenyl)-",24085-06-1,154871,(5-acetyl-2-acetyloxyphenyl)methyl acetate,CC(=O)C1=CC(=C(C=C1)OC(=O)C)COC(=O)C,"InChI=1S/C13H14O5/c1-8(14)11-4-5-13(18-10(3)16)12(6-11)7-17-9(2)15/h4-6H,7H2,1-3H3",FMKMEWWKBLDKST-UHFFFAOYSA-N,C13H14O5,250.25,250.0841235,1,69.7,336,0,0,5,6,18,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,1,0
"Acetic acid, 2-(4-ethylphenoxy)-",24431-27-4,90499,2-(4-ethylphenoxy)acetic acid,CCC1=CC=C(C=C1)OCC(=O)O,"InChI=1S/C10H12O3/c1-2-8-3-5-9(6-4-8)13-7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12)",WVELHLIHMYYZAT-UHFFFAOYSA-N,C10H12O3,180.2,180.0786442,2.3,46.5,160,0,1,3,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 2-chloro-6-ethyl-",24539-93-3,212558,2-chloro-6-ethylphenol,CCC1=C(C(=CC=C1)Cl)O,"InChI=1S/C8H9ClO/c1-2-6-4-3-5-7(9)8(6)10/h3-5,10H,2H2,1H3",XNJCFOQHSHYSLG-UHFFFAOYSA-N,C8H9ClO,156.61,156.0341926,3.2,20.2,105,0,1,1,1,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propionic acid, 2-(m-tolyloxy)-",25140-95-8,212845,2-(3-methylphenoxy)propanoic acid,CC1=CC(=CC=C1)OC(C)C(=O)O,"InChI=1S/C10H12O3/c1-7-4-3-5-9(6-7)13-8(2)10(11)12/h3-6,8H,1-2H3,(H,11,12)",NVECNFGARHPBLU-UHFFFAOYSA-N,C10H12O3,180.2,180.0786442,2.3,46.5,179,0,1,3,3,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propiophenone, 4'-(dimethylamino)-",26672-58-2,117839,1-[4-(dimethylamino)phenyl]propan-1-one,CCC(=O)C1=CC=C(C=C1)N(C)C,"InChI=1S/C11H15NO/c1-4-11(13)9-5-7-10(8-6-9)12(2)3/h5-8H,4H2,1-3H3",ONCICIKBSHQJTB-UHFFFAOYSA-N,C11H15NO,177.24,177.1153641,2.5,20.3,169,0,0,2,3,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Benzyl alcohol, m-chloro-alpha-(dichloromethyl)-",27683-61-0,33983,"2,2-dichloro-1-(3-chlorophenyl)ethanol",C1=CC(=CC(=C1)Cl)C(C(Cl)Cl)O,"InChI=1S/C8H7Cl3O/c9-6-3-1-2-5(4-6)7(12)8(10)11/h1-4,7-8,12H",INLMRTPMNPOFAV-UHFFFAOYSA-N,C8H7Cl3O,225.5,223.956248,3,20.2,140,0,1,1,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Cinnamonitrile, m-methoxy-",28446-69-7,34241,3-(3-methoxyphenyl)prop-2-enenitrile,COC1=CC=CC(=C1)C=CC#N,"InChI=1S/C10H9NO/c1-12-10-6-2-4-9(8-10)5-3-7-11/h2-6,8H,1H3",CDGKYGSIBOJVCY-UHFFFAOYSA-N,C10H9NO,159.18,159.0684139,2.3,33,201,0,0,2,2,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Salicylamide, 5-methoxy-",28534-37-4,119977,2-hydroxy-5-methoxybenzamide,COC1=CC(=C(C=C1)O)C(=O)N,"InChI=1S/C8H9NO3/c1-12-5-2-3-7(10)6(4-5)8(9)11/h2-4,10H,1H3,(H2,9,11)",VLSVEVCSHFHKEM-UHFFFAOYSA-N,C8H9NO3,167.16,167.0582431,1.9,72.6,172,0,2,3,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, (4-cyanophenoxy)-, ethyl ester",30041-95-3,207426,ethyl 2-(4-cyanophenoxy)acetate,CCOC(=O)COC1=CC=C(C=C1)C#N,"InChI=1S/C11H11NO3/c1-2-14-11(13)8-15-10-5-3-9(7-12)4-6-10/h3-6H,2,8H2,1H3",FZIFHLRZVOQASN-UHFFFAOYSA-N,C11H11NO3,205.21,205.0738932,1.6,59.3,248,0,0,4,5,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-Pentanedione, 3-vanillyl-",30881-23-3,207830,"3-[(4-hydroxy-3-methoxyphenyl)methyl]pentane-2,4-dione",CC(=O)C(CC1=CC(=C(C=C1)O)OC)C(=O)C,"InChI=1S/C13H16O4/c1-8(14)11(9(2)15)6-10-4-5-12(16)13(7-10)17-3/h4-5,7,11,16H,6H2,1-3H3",IFGDRUTWCITGHG-UHFFFAOYSA-N,C13H16O4,236.26,236.104859,0.8,63.6,273,0,1,4,5,17,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethylamine, 1-methyl-2-(2,6-xylyloxy)-",31828-71-4,4178,"1-(2,6-dimethylphenoxy)propan-2-amine",CC1=C(C(=CC=C1)C)OCC(C)N,"InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3",VLPIATFUUWWMKC-UHFFFAOYSA-N,C11H17NO,179.26,179.1310142,2.1,35.3,139,0,1,2,3,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzeneacetic acid, 3-chloro-4-hydroxy-",33697-81-3,118534,2-(3-chloro-4-hydroxyphenyl)acetic acid,C1=CC(=C(C=C1CC(=O)O)Cl)O,"InChI=1S/C8H7ClO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12)",IYTUKSIOQKTZEG-UHFFFAOYSA-N,C8H7ClO3,186.59,186.0083718,1.5,57.5,172,0,2,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzyl alcohol, alpha-(1-aminoethyl)-p-methyl-, hydrochloride",35086-98-7,121514189,2-amino-1-(4-methylphenyl)propan-1-ol;hydrochloride,CC1=CC=C(C=C1)C(C(C)N)O.Cl,"InChI=1S/C10H15NO.ClH/c1-7-3-5-9(6-4-7)10(12)8(2)11;/h3-6,8,10,12H,11H2,1-2H3;1H",BBAWQAHNHLAYFY-UHFFFAOYSA-N,C10H16ClNO,201.69,201.0920418,,46.3,130,0,3,2,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propionamide, N-benzyl-2,2-dimethyl-N-isopropyl-",35256-85-0,92299,"N-benzyl-2,2-dimethyl-N-propan-2-ylpropanamide",CC(C)N(CC1=CC=CC=C1)C(=O)C(C)(C)C,"InChI=1S/C15H23NO/c1-12(2)16(14(17)15(3,4)5)11-13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3",RJKCKKDSSSRYCB-UHFFFAOYSA-N,C15H23NO,233.35,233.1779644,3.4,20.3,246,0,0,1,4,17,,,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 3,4-diiodo-",35674-20-5,215424,"3,4-diiodobenzoic acid",C1=CC(=C(C=C1C(=O)O)I)I,"InChI=1S/C7H4I2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)",DFYULHRIYLAUJM-UHFFFAOYSA-N,C7H4I2O2,373.91,373.83007,2.7,37.3,161,0,1,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphoramidothioic acid, N-isopropyl-, O-methyl O-(2-nitro-p-tolyl) ester",36001-88-4,100524,N-[methoxy-(4-methyl-2-nitrophenoxy)phosphinothioyl]propan-2-amine,CC1=CC(=C(C=C1)OP(=S)(NC(C)C)OC)[N+](=O)[O-],"InChI=1S/C11H17N2O4PS/c1-8(2)12-18(19,16-4)17-11-6-5-9(3)7-10(11)13(14)15/h5-8H,1-4H3,(H,12,19)",VHEWQRWLIDWRMR-UHFFFAOYSA-N,C11H17N2O4PS,304.3,304.0646652,3.2,108,361,0,1,6,5,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Hydrocinnamic acid, (-)-L-alpha-hydrazino-3,4-dihydroxy-alpha-methyl-, monohydrate",38821-49-7,38101,"(2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid;hydrate",C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)NN.O,"InChI=1S/C10H14N2O4.H2O/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6;/h2-4,12-14H,5,11H2,1H3,(H,15,16);1H2/t10-;/m0./s1",QTAOMKOIBXZKND-PPHPATTJSA-N,C10H16N2O5,244.24,244.1059216,,117,261,0,6,7,4,17,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Butenoic acid, 2-((3-nitrophenyl)methylene)-3-oxo-, ethyl ester",39562-16-8,768581,ethyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate,CCOC(=O)/C(=C/C1=CC(=CC=C1)[N+](=O)[O-])/C(=O)C,"InChI=1S/C13H13NO5/c1-3-19-13(16)12(9(2)15)8-10-5-4-6-11(7-10)14(17)18/h4-8H,3H2,1-2H3/b12-8+",YOPMSDPIOQUWFE-XYOKQWHBSA-N,C13H13NO5,263.25,263.0793725,2.2,89.2,396,0,0,5,5,19,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"Butenoic acid, 2-((2-nitrophenyl)methylene)-3-oxo-, methyl ester",39562-27-1,787115,methyl 2-[(2-nitrophenyl)methylidene]-3-oxobutanoate,CC(=O)C(=CC1=CC=CC=C1[N+](=O)[O-])C(=O)OC,"InChI=1S/C12H11NO5/c1-8(14)10(12(15)18-2)7-9-5-3-4-6-11(9)13(16)17/h3-7H,1-2H3",APKKCRAKPMSAEI-UHFFFAOYSA-N,C12H11NO5,249.22,249.0637225,1.7,89.2,382,0,0,5,4,18,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"m-Xylene-alpha,alpha'-diol, 2,4,5,6-tetrachloro-",39568-89-3,198205,"[2,3,4,6-tetrachloro-5-(hydroxymethyl)phenyl]methanol",C(C1=C(C(=C(C(=C1Cl)Cl)Cl)CO)Cl)O,"InChI=1S/C8H6Cl4O2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14/h13-14H,1-2H2",JYLBVCKNJDTYGB-UHFFFAOYSA-N,C8H6Cl4O2,275.9,275.90924,2.7,40.5,174,0,2,2,2,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Aniline, p-(decyloxy)-",39905-47-0,38359,4-decoxyaniline,CCCCCCCCCCOC1=CC=C(C=C1)N,"InChI=1S/C16H27NO/c1-2-3-4-5-6-7-8-9-14-18-16-12-10-15(17)11-13-16/h10-13H,2-9,14,17H2,1H3",XWGJQNKDSHYJID-UHFFFAOYSA-N,C16H27NO,249.39,249.2092645,5.9,35.3,176,0,1,2,10,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-Phenylenedimethanethiol",41563-69-3,586424,[3-(sulfanylmethyl)phenyl]methanethiol,C1=CC(=CC(=C1)CS)CS,"InChI=1S/C8H10S2/c9-5-7-2-1-3-8(4-7)6-10/h1-4,9-10H,5-6H2",JSNABGZJVWSNOB-UHFFFAOYSA-N,C8H10S2,170.3,170.0223927,2.1,2,83,0,2,2,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenemethanol, 2-chloro-alpha-(((1,1-dimethylethyl)amino)methyl)-",41570-61-0,5606,2-(tert-butylamino)-1-(2-chlorophenyl)ethanol,CC(C)(C)NCC(C1=CC=CC=C1Cl)O,"InChI=1S/C12H18ClNO/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13/h4-7,11,14-15H,8H2,1-3H3",YREYLAVBNPACJM-UHFFFAOYSA-N,C12H18ClNO,227.73,227.1076919,2.3,32.3,191,0,2,2,4,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propionanilide, 2-bromo-",42308-20-3,99113,2-bromo-N-phenylpropanamide,CC(C(=O)NC1=CC=CC=C1)Br,"InChI=1S/C9H10BrNO/c1-7(10)9(12)11-8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)",OPPUMGDCQYPOSM-UHFFFAOYSA-N,C9H10BrNO,228.09,226.99458,2.1,29.1,155,0,1,1,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenamine, N,N-dibutyl-3-hydroxy-",43141-69-1,601234,3-(dibutylamino)phenol,CCCCN(CCCC)C1=CC(=CC=C1)O,"InChI=1S/C14H23NO/c1-3-5-10-15(11-6-4-2)13-8-7-9-14(16)12-13/h7-9,12,16H,3-6,10-11H2,1-2H3",KHSTZMGCKHBFJX-UHFFFAOYSA-N,C14H23NO,221.34,221.1779644,4.1,23.5,164,0,1,2,7,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Benzoic acid, 3,6-dichloro-2-methoxy-, compd. with 2-aminoethanol (1:1)",53404-28-7,62035,"2-aminoethanol;3,6-dichloro-2-methoxybenzoic acid",COC1=C(C=CC(=C1C(=O)O)Cl)Cl.C(CO)N,"InChI=1S/C8H6Cl2O3.C2H7NO/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;3-1-2-4/h2-3H,1H3,(H,11,12);4H,1-3H2",PYJWLFDSOCOIHD-UHFFFAOYSA-N,C10H13Cl2NO4,282.12,281.0221633,,92.8,208,0,3,5,3,17,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetonitrile, aminophenyl-, hydrochloride",53641-60-4,2723717,2-amino-2-phenylacetonitrile;hydrochloride,C1=CC=C(C=C1)C(C#N)N.Cl,"InChI=1S/C8H8N2.ClH/c9-6-8(10)7-4-2-1-3-5-7;/h1-5,8H,10H2;1H",OGSYCVCLXAFDNE-UHFFFAOYSA-N,C8H9ClN2,168.62,168.045426,,49.8,139,0,2,2,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzeneethanamine, 4-bromo-2,5-dimethoxy-, hydrochloride (1:1)",56281-37-9,151318,"2-(4-bromo-2,5-dimethoxyphenyl)ethanamine;hydrochloride",COC1=CC(=C(C=C1CCN)OC)Br.Cl,"InChI=1S/C10H14BrNO2.ClH/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12;/h5-6H,3-4,12H2,1-2H3;1H",UJTWHDAMHSIRDK-UHFFFAOYSA-N,C10H15BrClNO2,296.59,294.99747,,44.5,168,0,2,3,4,15,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetanilide, 3'-acetyl-2,2,2-trifluoro-",56915-87-8,673706,"N-(3-acetylphenyl)-2,2,2-trifluoroacetamide",CC(=O)C1=CC(=CC=C1)NC(=O)C(F)(F)F,"InChI=1S/C10H8F3NO2/c1-6(15)7-3-2-4-8(5-7)14-9(16)10(11,12)13/h2-5H,1H3,(H,14,16)",QJIHIZOVLAWHFM-UHFFFAOYSA-N,C10H8F3NO2,231.17,231.050713,2.2,46.2,288,0,1,5,2,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"beta-Resorcylic acid, 3,5-dichloro-",59119-79-8,3042133,"3,5-dichloro-2,4-dihydroxybenzoic acid",C1=C(C(=C(C(=C1Cl)O)Cl)O)C(=O)O,"InChI=1S/C7H4Cl2O4/c8-3-1-2(7(12)13)5(10)4(9)6(3)11/h1,10-11H,(H,12,13)",FCOWQHCAVUUGCS-UHFFFAOYSA-N,C7H4Cl2O4,223.01,221.948664,2.5,77.8,211,0,3,4,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzeneacetic acid, 4-amino-alpha-methyl-, (+-)-",59430-62-5,43026,2-(4-aminophenyl)propanoic acid,CC(C1=CC=C(C=C1)N)C(=O)O,"InChI=1S/C9H11NO2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,10H2,1H3,(H,11,12)",WOMVICAMAQURRN-UHFFFAOYSA-N,C9H11NO2,165.19,165.0789786,1.2,63.3,162,0,2,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzene, 1,3-dichloro-5-isocyano-",60357-67-7,2758169,"1,3-dichloro-5-isocyanobenzene",[C-]#[N+]C1=CC(=CC(=C1)Cl)Cl,InChI=1S/C7H3Cl2N/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,DCILZQJNNCXZNI-UHFFFAOYSA-N,C7H3Cl2N,172.01,170.9642545,2.9,4.4,150,0,0,1,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 2-methoxy-5-nitro-, sodium salt",67233-85-6,3017748,sodium 2-methoxy-5-nitrophenolate,COC1=C(C=C(C=C1)[N+](=O)[O-])[O-].[Na+],"InChI=1S/C7H7NO4.Na/c1-12-7-3-2-5(8(10)11)4-6(7)9;/h2-4,9H,1H3;/q;+1/p-1",KBRKFTKQRMYINW-UHFFFAOYSA-M,C7H6NNaO4,191.12,191.019452,,78.1,167,0,0,4,1,13,,,0,0,0,1,0,0,1,1,0,0,0,0,1,0,0,1,0,0,0,0
"Isovalerophenone, 3',4'-dihydroxy-",67239-25-2,49720,"1-(3,4-dihydroxyphenyl)-3-methylbutan-1-one",CC(C)CC(=O)C1=CC(=C(C=C1)O)O,"InChI=1S/C11H14O3/c1-7(2)5-10(13)8-3-4-9(12)11(14)6-8/h3-4,6-7,12,14H,5H2,1-2H3",HREXKWZQGPMOCU-UHFFFAOYSA-N,C11H14O3,194.23,194.0942943,2.2,57.5,201,0,2,3,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"1,3-Benzenediol, propyl-",68146-94-1,262060,"2-propylbenzene-1,3-diol",CCCC1=C(C=CC=C1O)O,"InChI=1S/C9H12O2/c1-2-4-7-8(10)5-3-6-9(7)11/h3,5-6,10-11H,2,4H2,1H3",XDCMHOFEBFTMNL-UHFFFAOYSA-N,C9H12O2,152.19,152.0837296,2.6,40.5,104,0,2,2,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, 2-(4-(hydroxymethyl)phenoxy)-",68858-21-9,194291,2-[4-(hydroxymethyl)phenoxy]acetic acid,C1=CC(=CC=C1CO)OCC(=O)O,"InChI=1S/C9H10O4/c10-5-7-1-3-8(4-2-7)13-6-9(11)12/h1-4,10H,5-6H2,(H,11,12)",VUCNQOPCYRJCGQ-UHFFFAOYSA-N,C9H10O4,182.17,182.0579088,0.6,66.8,161,0,2,4,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenesulfonic acid, 4-(2-((dichloroacetyl)amino)-3-fluoro-1-hydroxypropyl)-,methyl ester, (R-(R*,S*))-",73231-34-2,114811,"2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide",CS(=O)(=O)C1=CC=C(C=C1)[C@H]([C@@H](CF)NC(=O)C(Cl)Cl)O,"InChI=1S/C12H14Cl2FNO4S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-15)16-12(18)11(13)14/h2-5,9-11,17H,6H2,1H3,(H,16,18)/t9-,10-/m1/s1",AYIRNRDRBQJXIF-NXEZZACHSA-N,C12H14Cl2FNO4S,358.2,357.0004627,0.8,91.9,447,0,2,5,6,21,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"Hydrazine, (p-chlorobenzyl)-, hydrochloride",75333-04-9,3058470,(4-chlorophenyl)methylhydrazine;hydrochloride,C1=CC(=CC=C1CNN)Cl.Cl,"InChI=1S/C7H9ClN2.ClH/c8-7-3-1-6(2-4-7)5-10-9;/h1-4,10H,5,9H2;1H",ZXBURDTVQHTFKE-UHFFFAOYSA-N,C7H10Cl2N2,193.07,192.0221037,,38.1,89,0,3,2,2,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzeneacetaldehyde, 3,4-difluoro-alpha-oxo-",79784-34-2,2782290,"2-(3,4-difluorophenyl)-2-oxoacetaldehyde",C1=CC(=C(C=C1C(=O)C=O)F)F,InChI=1S/C8H4F2O2/c9-6-2-1-5(3-7(6)10)8(12)4-11/h1-4H,VZRYIZGMQICGSF-UHFFFAOYSA-N,C8H4F2O2,170.11,170.0179357,1.7,34.1,193,0,0,4,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propanamide, 2-chloro-N-((3,4-dimethoxyphenyl)methyl)-",80364-88-1,3062196,"2-chloro-N-[(3,4-dimethoxyphenyl)methyl]propanamide",CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)Cl,"InChI=1S/C12H16ClNO3/c1-8(13)12(15)14-7-9-4-5-10(16-2)11(6-9)17-3/h4-6,8H,7H2,1-3H3,(H,14,15)",SNOXETBALUKUMT-UHFFFAOYSA-N,C12H16ClNO3,257.71,257.0818711,1.6,47.6,250,0,1,3,5,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Butenoic acid, 4-(3,4-dimethoxyphenyl)-4-oxo-, (E)-",80937-23-1,6444386,"(E)-4-(3,4-dimethoxyphenyl)-4-oxobut-2-enoic acid",COC1=C(C=C(C=C1)C(=O)/C=C/C(=O)O)OC,"InChI=1S/C12H12O5/c1-16-10-5-3-8(7-11(10)17-2)9(13)4-6-12(14)15/h3-7H,1-2H3,(H,14,15)/b6-4+",QUWWWXPLUJFEHM-GQCTYLIASA-N,C12H12O5,236.22,236.0684735,1.3,72.8,310,0,1,5,5,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenepentanol, delta-amino-",82590-43-0,99992,4-amino-5-phenylpentan-1-ol,C1=CC=C(C=C1)CC(CCCO)N,"InChI=1S/C11H17NO/c12-11(7-4-8-13)9-10-5-2-1-3-6-10/h1-3,5-6,11,13H,4,7-9,12H2",ZUINCJZTERKRFJ-UHFFFAOYSA-N,C11H17NO,179.26,179.1310142,1.6,46.3,121,0,2,2,5,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 2-((methoxy((1-methylethyl)amino)phosphinothioyl)oxy)-, 1-methylethyl ester",99675-03-3,127394,propan-2-yl 2-[methoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate,CC(C)NP(=S)(OC)OC1=CC=CC=C1C(=O)OC(C)C,"InChI=1S/C14H22NO4PS/c1-10(2)15-20(21,17-5)19-13-9-7-6-8-12(13)14(16)18-11(3)4/h6-11H,1-5H3,(H,15,21)",IXTOWLKEARFCCP-UHFFFAOYSA-N,C14H22NO4PS,331.37,331.1007164,3.8,88.9,389,0,1,6,8,21,,,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propylamine, 3-(o-methoxyphenyl)-, hydrochloride",100131-86-0,3063229,3-(2-methoxyphenyl)propan-1-amine;hydrochloride,COC1=CC=CC=C1CCCN.Cl,"InChI=1S/C10H15NO.ClH/c1-12-10-7-3-2-5-9(10)6-4-8-11;/h2-3,5,7H,4,6,8,11H2,1H3;1H",DMQHXHWSBBKSRW-UHFFFAOYSA-N,C10H16ClNO,201.69,201.0920418,,35.3,116,0,2,2,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 3,6-dichloro-2-methoxy-, compd. with 2-(2-aminoethoxy)ethanol (1:1)",104040-79-1,18772449,"2-(2-aminoethoxy)ethanol;3,6-dichloro-2-methoxybenzoic acid",COC1=C(C=CC(=C1C(=O)O)Cl)Cl.C(COCCO)N,"InChI=1S/C8H6Cl2O3.C4H11NO2/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;5-1-3-7-4-2-6/h2-3H,1H3,(H,11,12);6H,1-5H2",QURLONWWPWCPIC-UHFFFAOYSA-N,C12H17Cl2NO5,326.17,325.048378,,102,231,0,3,6,6,20,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzylamine, p-ethoxy-alpha-methyl-",104294-63-5,59831,1-(4-ethoxyphenyl)ethanamine,CCOC1=CC=C(C=C1)C(C)N,"InChI=1S/C10H15NO/c1-3-12-10-6-4-9(5-7-10)8(2)11/h4-8H,3,11H2,1-2H3",LQISONQSSGPXMA-UHFFFAOYSA-N,C10H15NO,165.23,165.1153641,1.5,35.3,119,0,1,2,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphonic acid, (3-amino-2-(4-chlorophenyl)propyl)-",114012-12-3,1641,[3-amino-2-(4-chlorophenyl)propyl]phosphonic acid,C1=CC(=CC=C1C(CN)CP(=O)(O)O)Cl,"InChI=1S/C9H13ClNO3P/c10-9-3-1-7(2-4-9)8(5-11)6-15(12,13)14/h1-4,8H,5-6,11H2,(H2,12,13,14)",VSGNGLJPOGUDON-UHFFFAOYSA-N,C9H13ClNO3P,249.63,249.032158,-2.4,83.6,238,0,3,4,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-Benzenediamine, 4-methoxy-, sulfate (1:1), hydrate",123333-56-2,3078952,"4-methoxybenzene-1,3-diamine;sulfuric acid;hydrate",COC1=C(C=C(C=C1)N)N.O.OS(=O)(=O)O,"InChI=1S/C7H10N2O.H2O4S.H2O/c1-10-7-3-2-5(8)4-6(7)9;1-5(2,3)4;/h2-4H,8-9H2,1H3;(H2,1,2,3,4);1H2",JAYRYWNGILOCLN-UHFFFAOYSA-N,C7H14N2O6S,254.26,254.0572573,,145,189,0,5,8,1,16,,,0,0,0,1,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0
"Carbamic acid, ethylmethyl-, 3-((1S)-1-(dimethylamino)ethyl)phenyl ester",123441-03-2,77991,[3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate,CCN(C)C(=O)OC1=CC=CC(=C1)[C@H](C)N(C)C,"InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1",XSVMFMHYUFZWBK-NSHDSACASA-N,C14H22N2O2,250.34,250.1681279,2.3,32.8,269,0,0,3,5,18,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 4-(1-ethyl-1,4-dimethylpentyl)-",142731-63-3,11321982,"4-(3,6-dimethylheptan-3-yl)phenol",CCC(C)(CCC(C)C)C1=CC=C(C=C1)O,"InChI=1S/C15H24O/c1-5-15(4,11-10-12(2)3)13-6-8-14(16)9-7-13/h6-9,12,16H,5,10-11H2,1-4H3",BGLUSMSXKMBLFS-UHFFFAOYSA-N,C15H24O,220.35,220.1827154,5.7,20.2,192,0,1,1,5,16,,,1,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0,0
"Benzeneacetamide, alpha-methyl-4-(2-methylpropyl)-N-(methylsulfonyl)-, (alpha-R)-",266359-83-5,9838712,(2R)-2-[4-(2-methylpropyl)phenyl]-N-methylsulfonylpropanamide,C[C@H](C1=CC=C(C=C1)CC(C)C)C(=O)NS(=O)(=O)C,"InChI=1S/C14H21NO3S/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(16)15-19(4,17)18/h5-8,10-11H,9H2,1-4H3,(H,15,16)/t11-/m1/s1",KQDRVXQXKZXMHP-LLVKDONJSA-N,C14H21NO3S,283.39,283.1242147,2.9,71.6,389,0,1,3,5,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Nonanamide, N-((4-hydroxy-2-iodo-5-methoxyphenyl)methyl)-",859171-97-4,5149140,N-[(4-hydroxy-2-iodo-5-methoxyphenyl)methyl]nonanamide,CCCCCCCCC(=O)NCC1=CC(=C(C=C1I)O)OC,"InChI=1S/C17H26INO3/c1-3-4-5-6-7-8-9-17(21)19-12-13-10-16(22-2)15(20)11-14(13)18/h10-11,20H,3-9,12H2,1-2H3,(H,19,21)",AAORACFZMYMFCG-UHFFFAOYSA-N,C17H26INO3,419.3,419.09574,4.8,58.6,314,0,2,3,10,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"beta-Alanine, 2-phenyl-, hydrochloride",,12697489,3-amino-2-phenylpropanoic acid;hydrochloride,C1=CC=C(C=C1)C(CN)C(=O)O.Cl,"InChI=1S/C9H11NO2.ClH/c10-6-8(9(11)12)7-4-2-1-3-5-7;/h1-5,8H,6,10H2,(H,11,12);1H",XXQQHYDQYMUUMP-UHFFFAOYSA-N,C9H12ClNO2,201.65,201.0556563,,63.3,153,0,3,3,3,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, N-(carbamoylmethyl)-",,238721,N-(2-amino-2-oxoethyl)benzamide,C1=CC=C(C=C1)C(=O)NCC(=O)N,"InChI=1S/C9H10N2O2/c10-8(12)6-11-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,12)(H,11,13)",AZKKVZSITQZVLP-UHFFFAOYSA-N,C9H10N2O2,178.19,178.0742276,-0.3,72.2,198,0,2,2,3,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzonitrile, 2,4-dimethyl-",,89046,"2,4-dimethylbenzonitrile",CC1=CC(=C(C=C1)C#N)C,"InChI=1S/C9H9N/c1-7-3-4-9(6-10)8(2)5-7/h3-5H,1-2H3",QLZDTHTXOUOSCV-UHFFFAOYSA-N,C9H9N,131.17,131.0734993,2.6,23.8,153,0,0,1,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cinnamamide, N-(4-chloro-5-methyl-2-(naphthalen-1-ylmethylthio)benzenesulfonyl)-",,5273472,(E)-3-phenylprop-2-enamide,C1=CC=C(C=C1)/C=C/C(=O)N,"InChI=1S/C9H9NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H2,10,11)/b7-6+",APEJMQOBVMLION-VOTSOKGWSA-N,C9H9NO,147.17,147.0684139,1.4,43.1,157,0,1,1,2,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 2-allyl-6-methyl-",,76883,2-methyl-6-prop-2-enylphenol,CC1=C(C(=CC=C1)CC=C)O,"InChI=1S/C10H12O/c1-3-5-9-7-4-6-8(2)10(9)11/h3-4,6-7,11H,1,5H2,2H3",WREVCRYZAWNLRZ-UHFFFAOYSA-N,C10H12O,148.2,148.088815,3,20.2,131,0,1,1,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, o-(2-aminopropyl)-",,541960,2-(2-aminopropyl)phenol,CC(CC1=CC=CC=C1O)N,"InChI=1S/C9H13NO/c1-7(10)6-8-4-2-3-5-9(8)11/h2-5,7,11H,6,10H2,1H3",BCYNCBWCTHFJIU-UHFFFAOYSA-N,C9H13NO,151.21,151.099714,1.4,46.3,116,0,2,2,2,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, m-(1-(dimethylamino)ethyl)-, hydrochloride",,3029882,3-[1-(dimethylamino)ethyl]phenol;hydrochloride,CC(C1=CC(=CC=C1)O)N(C)C.Cl,"InChI=1S/C10H15NO.ClH/c1-8(11(2)3)9-5-4-6-10(12)7-9;/h4-8,12H,1-3H3;1H",HYSDCAISHZHIRV-UHFFFAOYSA-N,C10H16ClNO,201.69,201.0920418,,23.5,136,0,2,2,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Phthalamic acid, N,N-dimethyl-",,348589,2-(dimethylcarbamoyl)benzoic acid,CN(C)C(=O)C1=CC=CC=C1C(=O)O,"InChI=1S/C10H11NO3/c1-11(2)9(12)7-5-3-4-6-8(7)10(13)14/h3-6H,1-2H3,(H,13,14)",MMJYFEBZBADSNQ-UHFFFAOYSA-N,C10H11NO3,193.2,193.0738932,0.7,57.6,238,0,1,3,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phthalic acid, mono-(2-ethyl-5-hydroxyhexyl) ester",,170295,2-(2-ethyl-5-hydroxyhexoxy)carbonylbenzoic acid,CCC(CCC(C)O)COC(=O)C1=CC=CC=C1C(=O)O,"InChI=1S/C16H22O5/c1-3-12(9-8-11(2)17)10-21-16(20)14-7-5-4-6-13(14)15(18)19/h4-7,11-12,17H,3,8-10H2,1-2H3,(H,18,19)",RYPQSGURZSTFSX-UHFFFAOYSA-N,C16H22O5,294.34,294.1467238,2.5,83.8,342,0,2,5,9,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"p-Propionotoluidide, 2-(diethylamino)-, hydrochloride",,235816,N-(4-methylphenyl)propanamide,CCC(=O)NC1=CC=C(C=C1)C,"InChI=1S/C10H13NO/c1-3-10(12)11-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,11,12)",XWSRKIHDBLVVQU-UHFFFAOYSA-N,C10H13NO,163.22,163.099714,2,29.1,148,0,1,1,2,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ETHYLBENZENE-D10,025837-05-2,117648,"1,2,3,4,5-pentadeuterio-6-(1,1,2,2,2-pentadeuterioethyl)benzene",[2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])([2H])C([2H])([2H])[2H])[2H])[2H],"InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3/i1D3,2D2,3D,4D,5D,6D,7D",YNQLUTRBYVCPMQ-CFTAVCBPSA-N,C8H10,116.23,116.1410178,3.1,0,51,0,0,0,1,8,,,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
2-FLUOROPHENYL ISOCYANATE,016744-98-2,85588,1-fluoro-2-isocyanatobenzene,C1=CC=C(C(=C1)N=C=O)F,InChI=1S/C7H4FNO/c8-6-3-1-2-4-7(6)9-5-10/h1-4H,VZNCSZQPNIEEMN-UHFFFAOYSA-N,C7H4FNO,137.11,137.0276919,2.8,29.4,154,0,0,3,1,10,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,1,0,1,0,0,1
M-XYLENE,000108-38-3,7929,"1,3-xylene",CC1=CC(=CC=C1)C,"InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3",IVSZLXZYQVIEFR-UHFFFAOYSA-N,C8H10,106.16,106.0782503,3.2,0,58,0,0,0,0,8,"85 °F (NTP, 1992)","282.4 °F at 760 mmHg (NTP, 1992)",0,1,1,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"STYRENE-ALPHA,BETA,BETA-D3",003814-93-5,10855399,"1,2,2-trideuterioethenylbenzene",[2H]C(=C([2H])C1=CC=CC=C1)[2H],"InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2/i1D2,2D",PPBRXRYQALVLMV-FUDHJZNOSA-N,C8H8,107.17,107.0814305,2.9,0,68,0,0,0,1,8,,,0,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
MESITYLENE-D12,069441-16-3,2733421,"1,3,5-trideuterio-2,4,6-tris(trideuteriomethyl)benzene",[2H]C1=C(C(=C(C(=C1C([2H])([2H])[2H])[2H])C([2H])([2H])[2H])[2H])C([2H])([2H])[2H],"InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3/i1D3,2D3,3D3,4D,5D,6D",AUHZEENZYGFFBQ-ZPMNDIOMSA-N,C9H12,132.26,132.1692213,3.4,0,55,0,0,0,0,9,,,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1-METHOXY-2-METHYL-",000578-58-5,33637,1-methoxy-2-methylbenzene,CC1=CC=CC=C1OC,"InChI=1S/C8H10O/c1-7-5-3-4-6-8(7)9-2/h3-6H,1-2H3",DTFKRVXLBCAIOZ-UHFFFAOYSA-N,C8H10O,122.16,122.0731649,2.7,9.2,80,0,0,1,1,9,,170.00 to 172.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1-ETHYL-2,3-DIMETHYLBENZENE",000933-98-2,13621,"1-ethyl-2,3-dimethylbenzene",CCC1=CC=CC(=C1C)C,"InChI=1S/C10H14/c1-4-10-7-5-6-8(2)9(10)3/h5-7H,4H2,1-3H3",QUBBAXISAHIDNM-UHFFFAOYSA-N,C10H14,134.22,134.1095504,3.9,0,96,0,0,0,1,10,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 3-PHENYL-, PROPYL ESTER",007778-83-8,5270647,propyl (E)-3-phenylprop-2-enoate,CCCOC(=O)/C=C/C1=CC=CC=C1,"InChI=1S/C12H14O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3/b9-8+",OLLPXZHNCXACMM-CMDGGOBGSA-N,C12H14O2,190.24,190.0993797,3.5,26.3,190,0,0,2,5,14,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
N-BENZYLMETHYLAMINE,000103-67-3,7669,N-methyl-1-phenylmethanamine,CNCC1=CC=CC=C1,"InChI=1S/C8H11N/c1-9-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3",RIWRFSMVIUAEBX-UHFFFAOYSA-N,C8H11N,121.18,121.0891494,1.5,12,65,0,1,1,2,9,,,0,1,1,1,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0
"BENZENEDIAZONIUM, 4-(DIMETHYLAMINO)-, CHLORIDE",000100-04-9,66848,4-(dimethylamino)benzenediazonium chloride,CN(C)C1=CC=C(C=C1)[N+]#N.[Cl-],"InChI=1S/C8H10N3.ClH/c1-11(2)8-5-3-7(10-9)4-6-8;/h3-6H,1-2H3;1H/q+1;/p-1",CCIAVEMREXZXAK-UHFFFAOYSA-M,C8H10ClN3,183.64,183.056325,,31.4,159,0,0,3,1,12,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
4-HYDROXYBENZENESULFONIC ACID,000098-67-9,4765,4-hydroxybenzenesulfonic acid,C1=CC(=CC=C1O)S(=O)(=O)O,"InChI=1S/C6H6O4S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4,7H,(H,8,9,10)",FEPBITJSIHRMRT-UHFFFAOYSA-N,C6H6O4S,174.18,173.9986798,0.2,83,207,0,2,4,1,11,,,0,0,0,1,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,1
"BENZOYL CHLORIDE, 2-FLUORO-",000393-52-2,9808,2-fluorobenzoyl chloride,C1=CC=C(C(=C1)C(=O)Cl)F,InChI=1S/C7H4ClFO/c8-7(10)5-3-1-2-4-6(5)9/h1-4H,RAAGZOYMEQDCTD-UHFFFAOYSA-N,C7H4ClFO,158.56,157.9934706,2.8,17.1,138,0,0,2,1,10,"180 °F (NTP, 1992)","403 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,1
P-HYDROXYMERCURIBENZOIC ACID SODIUM,000138-85-2,23667696,sodium;(4-carboxylatophenyl)mercury;hydrate,C1=CC(=CC=C1C(=O)[O-])[Hg].O.[Na+],"InChI=1S/C7H5O2.Hg.Na.H2O/c8-7(9)6-4-2-1-3-5-6;;;/h2-5H,(H,8,9);;;1H2/q;;+1;/p-1",BERBQUNVJGVZCX-UHFFFAOYSA-M,C7H6HgNaO3,361.7,362.992107,,41.1,135,0,1,3,2,12,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
TRICHLORONATE,000327-98-0,9477,"ethoxy-ethyl-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane",CCOP(=S)(CC)OC1=CC(=C(C=C1Cl)Cl)Cl,"InChI=1S/C10H12Cl3O2PS/c1-3-14-16(17,4-2)15-10-6-8(12)7(11)5-9(10)13/h5-6H,3-4H2,1-2H3",ANIAQSUBRGXWLS-UHFFFAOYSA-N,C10H12Cl3O2PS,333.6,331.936121,5.2,50.6,293,0,0,3,5,17,,"226 °F at 0.01 mmHg (EPA, 1998)",1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
5-CHLORO-O-ANISIDINE,000095-03-4,66763,5-chloro-2-methoxyaniline,COC1=C(C=C(C=C1)Cl)N,"InChI=1S/C7H8ClNO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,9H2,1H3",WBSMIPLNPSCJFS-UHFFFAOYSA-N,C7H8ClNO,157.6,157.0294416,1.9,35.3,110,0,1,2,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
(-)-DEOXYEPHEDRINE,033817-09-3,36604,(2R)-N-methyl-1-phenylpropan-2-amine,C[C@H](CC1=CC=CC=C1)NC,"InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m1/s1",MYWUZJCMWCOHBA-SECBINFHSA-N,C10H15N,149.23,149.1204495,2.1,12,95,0,1,1,3,11,,,0,1,1,1,0,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0
"PROPANENITRILE, 3-[ETHYL(3-METHYLPHENYL)AMINO]-",000148-69-6,67363,3-(N-ethyl-3-methylanilino)propanenitrile,CCN(CCC#N)C1=CC=CC(=C1)C,"InChI=1S/C12H16N2/c1-3-14(9-5-8-13)12-7-4-6-11(2)10-12/h4,6-7,10H,3,5,9H2,1-2H3",NPCCPMHHNIOSHL-UHFFFAOYSA-N,C12H16N2,188.27,188.1313485,2.9,27,204,0,0,2,4,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENAMINE, N,N,2-TRIMETHYL-",000609-72-3,11869,"N,N,2-trimethylaniline",CC1=CC=CC=C1N(C)C,"InChI=1S/C9H13N/c1-8-6-4-5-7-9(8)10(2)3/h4-7H,1-3H3",JDEJGVSZUIJWBM-UHFFFAOYSA-N,C9H13N,135.21,135.1047994,2.9,3.2,98,0,0,1,1,10,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
DEXFENFLURAMINE HYDROCHLORIDE,003239-45-0,66264,(2S)-N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;hydrochloride,CCN[C@@H](C)CC1=CC(=CC=C1)C(F)(F)F.Cl,"InChI=1S/C12H16F3N.ClH/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15;/h4-6,8-9,16H,3,7H2,1-2H3;1H/t9-;/m0./s1",ZXKXJHAOUFHNAS-FVGYRXGTSA-N,C12H17ClF3N,267.72,267.1001617,,12,203,0,2,4,4,17,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzyl alcohol, 4-amino-alpha-((tert-butylamino)methyl)-3,5-dichloro-, monohyd",021898-19-1,5702273,"1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol;hydrochloride",CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O.Cl,"InChI=1S/C12H18Cl2N2O.ClH/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7;/h4-5,10,16-17H,6,15H2,1-3H3;1H",OPXKTCUYRHXSBK-UHFFFAOYSA-N,C12H19Cl3N2O,313.6,312.056296,,58.3,233,0,4,3,4,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,3,4,6-TETRACHLOROPHENOL",000058-90-2,6028,"2,3,4,6-tetrachlorophenol",C1=C(C(=C(C(=C1Cl)Cl)Cl)O)Cl,"InChI=1S/C6H2Cl4O/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H",VGVRPFIJEJYOFN-UHFFFAOYSA-N,C6H2Cl4O,231.9,231.883025,4.5,20.2,143,0,1,1,0,11,100 °C,"302 °F at 15 mmHg (NTP, 1992)",1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"N,N-DIETHYL-P-PHENYLENEDIAMINE MONOHYDROCHLORIDE",002198-58-5,75145,"4-N,4-N-diethylbenzene-1,4-diamine;hydrochloride",CCN(CC)C1=CC=C(C=C1)N.Cl,"InChI=1S/C10H16N2.ClH/c1-3-12(4-2)10-7-5-9(11)6-8-10;/h5-8H,3-4,11H2,1-2H3;1H",XTBFKMDOQMQYPP-UHFFFAOYSA-N,C10H17ClN2,200.71,200.1080262,,29.3,113,0,2,2,3,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N-DODECYL-N,N-DIMETHYLBENZENEMETHANAMINIUM, BROMIDE",007281-04-1,23705,benzyl-dodecyl-dimethylazanium bromide,CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Br-],"InChI=1S/C21H38N.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1",KHSLHYAUZSPBIU-UHFFFAOYSA-M,C21H38BrN,384.4,383.21876,,0,240,0,0,1,13,23,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CHLORAMBUCIL,000305-03-3,2708,4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid,C1=CC(=CC=C1CCCC(=O)O)N(CCCl)CCCl,"InChI=1S/C14H19Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19)",JCKYGMPEJWAADB-UHFFFAOYSA-N,C14H19Cl2NO2,304.2,303.0792842,1.7,40.5,250,0,1,3,9,19,,,0,0,0,1,0,1,0,1,0,0,1,0,0,1,0,0,1,0,0,1
"BENZENAMINE, 3,5-DICHLORO-",000626-43-7,12281,"3,5-dichloroaniline",C1=C(C=C(C=C1Cl)Cl)N,"InChI=1S/C6H5Cl2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2",UQRLKWGPEVNVHT-UHFFFAOYSA-N,C6H5Cl2N,162.01,160.9799046,2.9,26,87,0,1,1,0,9,,260 °C @ 741 mm Hg,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
L(+)-MANDELIC ACID,017199-29-0,439616,(2S)-2-hydroxy-2-phenylacetic acid,C1=CC=C(C=C1)[C@@H](C(=O)O)O,"InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m0/s1",IWYDHOAUDWTVEP-ZETCQYMHSA-N,C8H8O3,152.15,152.0473441,0.6,57.5,138,0,2,3,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PENTAFLUOROPHENYL ISOTHIOCYANATE,035923-79-6,123452,"1,2,3,4,5-pentafluoro-6-isothiocyanatobenzene",C(=NC1=C(C(=C(C(=C1F)F)F)F)F)=S,InChI=1S/C7F5NS/c8-2-3(9)5(11)7(13-1-14)6(12)4(2)10,NGNKMRBGZPDABE-UHFFFAOYSA-N,C7F5NS,225.14,224.967161,3.8,44.5,240,0,0,7,1,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
4-AMINO-O-CRESOL,002835-96-3,76081,4-amino-2-methylphenol,CC1=C(C=CC(=C1)N)O,"InChI=1S/C7H9NO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,8H2,1H3",HDGMAACKJSBLMW-UHFFFAOYSA-N,C7H9NO,123.15,123.0684139,0.7,46.3,94,0,2,2,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0
"2,6-DIMETHOXYBENZENAMINE",002734-70-5,95940,"2,6-dimethoxyaniline",COC1=C(C(=CC=C1)OC)N,"InChI=1S/C8H11NO2/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5H,9H2,1-2H3",HQBJSEKQNRSDAZ-UHFFFAOYSA-N,C8H11NO2,153.18,153.0789786,0.8,44.5,107,0,1,3,2,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"3-HYDROXY-2,4,6-TRIIODOBENZOIC ACID",053279-72-4,96627,"3-hydroxy-2,4,6-triiodobenzoic acid",C1=C(C(=C(C(=C1I)O)I)C(=O)O)I,"InChI=1S/C7H3I3O3/c8-2-1-3(9)6(11)5(10)4(2)7(12)13/h1,11H,(H,12,13)",GIAVHGFPMPSIFI-UHFFFAOYSA-N,C7H3I3O3,515.81,515.7216,3,57.5,211,0,2,3,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-HYDROXY-6-METHYLBENZALDEHYDE,018362-36-2,585174,2-hydroxy-6-methylbenzaldehyde,CC1=C(C(=CC=C1)O)C=O,"InChI=1S/C8H8O2/c1-6-3-2-4-8(10)7(6)5-9/h2-5,10H,1H3",ZRUOTKQBVMWMDK-UHFFFAOYSA-N,C8H8O2,136.15,136.0524295,1.9,37.3,122,0,1,2,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, 4-FLUORO-2-METHYL-",000452-71-1,67982,4-fluoro-2-methylaniline,CC1=C(C=CC(=C1)F)N,"InChI=1S/C7H8FN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3",KMHLGVTVACLEJE-UHFFFAOYSA-N,C7H8FN,125.14,125.0640774,1.4,26,94,0,1,2,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"BENZAMIDE, N,N-DIETHYL-",001696-17-9,15542,"N,N-diethylbenzamide",CCN(CC)C(=O)C1=CC=CC=C1,"InChI=1S/C11H15NO/c1-3-12(4-2)11(13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3",JLNGEXDJAQASHD-UHFFFAOYSA-N,C11H15NO,177.24,177.1153641,1.2,20.3,157,0,0,1,3,13,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANONE, 1-(2,4-DICHLOROPHENYL)-",002234-16-4,16693,"1-(2,4-dichlorophenyl)ethanone",CC(=O)C1=C(C=C(C=C1)Cl)Cl,"InChI=1S/C8H6Cl2O/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,1H3",XMCRWEBERCXJCH-UHFFFAOYSA-N,C8H6Cl2O,189.04,187.9795702,2.7,17.1,158,0,0,1,1,11,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONYL CHLORIDE, 3-(ACETYLAMINO)-4-METHOXY-",003746-67-6,77351,3-acetamido-4-methoxybenzenesulfonyl chloride,CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)Cl)OC,"InChI=1S/C9H10ClNO4S/c1-6(12)11-8-5-7(16(10,13)14)3-4-9(8)15-2/h3-5H,1-2H3,(H,11,12)",KRKMAUKQDRAOFI-UHFFFAOYSA-N,C9H10ClNO4S,263.7,263.0019067,1.4,80.9,351,0,1,4,3,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZALDEHYDE, 2-HYDROXY-3-NITRO-",005274-70-4,78934,2-hydroxy-3-nitrobenzaldehyde,C1=CC(=C(C(=C1)[N+](=O)[O-])O)C=O,"InChI=1S/C7H5NO4/c9-4-5-2-1-3-6(7(5)10)8(11)12/h1-4,10H",NUGOTBXFVWXVTE-UHFFFAOYSA-N,C7H5NO4,167.12,167.0218576,1,83.1,188,0,1,4,1,12,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONIC ACID, 4-METHYL-, COMPD. WITH N,N-DIETHYLETHANAMINE (1:1)",015404-00-9,161127,"N,N-diethylethanamine;4-methylbenzenesulfonic acid",CCN(CC)CC.CC1=CC=C(C=C1)S(=O)(=O)O,"InChI=1S/C7H8O3S.C6H15N/c1-6-2-4-7(5-3-6)11(8,9)10;1-4-7(5-2)6-3/h2-5H,1H3,(H,8,9,10);4-6H2,1-3H3",MMVUZMIOJNPDME-UHFFFAOYSA-N,C13H23NO3S,273.39,273.1398648,,66,232,0,1,4,4,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, 2-(CHLOROMETHYL)-5-(1,1-DIMETHYLETHYL)-1,3-DIMETHYL-",019387-83-8,88034,"5-tert-butyl-2-(chloromethyl)-1,3-dimethylbenzene",CC1=CC(=CC(=C1CCl)C)C(C)(C)C,"InChI=1S/C13H19Cl/c1-9-6-11(13(3,4)5)7-10(2)12(9)8-14/h6-7H,8H2,1-5H3",SELSXVIZHNFFRV-UHFFFAOYSA-N,C13H19Cl,210.74,210.1175283,4.7,0,168,0,0,0,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1-ETHOXY-4-ISOCYANATO-",032459-62-4,122887,1-ethoxy-4-isocyanatobenzene,CCOC1=CC=C(C=C1)N=C=O,"InChI=1S/C9H9NO2/c1-2-12-9-5-3-8(4-6-9)10-7-11/h3-6H,2H2,1H3",FMYVTFRADSNGDN-UHFFFAOYSA-N,C9H9NO2,163.17,163.0633285,3,38.7,167,0,0,3,3,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"PHENOL, 4-METHYL-2,6-DINONYL-",063451-44-5,113237,"4-methyl-2,6-di(nonyl)phenol",CCCCCCCCCC1=CC(=CC(=C1O)CCCCCCCCC)C,"InChI=1S/C25H44O/c1-4-6-8-10-12-14-16-18-23-20-22(3)21-24(25(23)26)19-17-15-13-11-9-7-5-2/h20-21,26H,4-19H2,1-3H3",UXMKUNDWNZNECH-UHFFFAOYSA-N,C25H44O,360.6,360.339216,11.1,20.2,273,0,1,1,16,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0
"2,6-DIISOPROPYLPHENOL",002078-54-8,4943,"2,6-di(propan-2-yl)phenol",CC(C)C1=C(C(=CC=C1)C(C)C)O,"InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3",OLBCVFGFOZPWHH-UHFFFAOYSA-N,C12H18O,178.27,178.1357652,3.8,20.2,135,0,1,1,2,13,,242 °C,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-AMINO-4-HYDROXYBENZOIC ACID,001571-72-8,65083,3-amino-4-hydroxybenzoic acid,C1=CC(=C(C=C1C(=O)O)N)O,"InChI=1S/C7H7NO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,8H2,(H,10,11)",MRBKRZAPGUCWOS-UHFFFAOYSA-N,C7H7NO3,153.14,153.0425931,0.7,83.6,160,0,3,4,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHYL SALICYLATE,000118-61-6,8365,ethyl 2-hydroxybenzoate,CCOC(=O)C1=CC=CC=C1O,"InChI=1S/C9H10O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6,10H,2H2,1H3",GYCKQBWUSACYIF-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,3,46.5,156,0,1,3,3,12,,233.00 to 235.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-AMINOPHENETHYL ALCOHOL,005339-85-5,79282,2-(2-aminophenyl)ethanol,C1=CC=C(C(=C1)CCO)N,"InChI=1S/C8H11NO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,10H,5-6,9H2",ILDXSRFKXABMHH-UHFFFAOYSA-N,C8H11NO,137.18,137.084064,0.5,46.3,95,0,2,2,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-(4-FLUOROBENZOYL)PROPIONIC ACID,000366-77-8,101359,4-(4-fluorophenyl)-4-oxobutanoic acid,C1=CC(=CC=C1C(=O)CCC(=O)O)F,"InChI=1S/C10H9FO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14)",WUYWHIAAQYQKPP-UHFFFAOYSA-N,C10H9FO3,196.17,196.0535723,1.5,54.4,219,0,1,4,4,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-IODOPHENOL,000533-58-4,10784,2-iodophenol,C1=CC=C(C(=C1)O)I,"InChI=1S/C6H5IO/c7-5-3-1-2-4-6(5)8/h1-4,8H",KQDJTBPASNJQFQ-UHFFFAOYSA-N,C6H5IO,220.01,219.93851,2.6,20.2,74,0,1,1,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ANTHRANILONITRILE,001885-29-6,72913,2-aminobenzonitrile,C1=CC=C(C(=C1)C#N)N,"InChI=1S/C7H6N2/c8-5-6-3-1-2-4-7(6)9/h1-4H,9H2",HLCPWBZNUKCSBN-UHFFFAOYSA-N,C7H6N2,118.14,118.0530982,1.4,49.8,133,0,1,2,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
2-CHLORETHYL PARA-TOLUENESULFONATE,000080-41-1,6639,2-chloroethyl 4-methylbenzenesulfonate,CC1=CC=C(C=C1)S(=O)(=O)OCCCl,"InChI=1S/C9H11ClO3S/c1-8-2-4-9(5-3-8)14(11,12)13-7-6-10/h2-5H,6-7H2,1H3",ZXNMIUJDTOMBPV-UHFFFAOYSA-N,C9H11ClO3S,234.7,234.0117431,2,51.8,250,0,0,3,4,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-(DIMETHYLAMINO)BENZONITRILE,001197-19-9,70967,4-(dimethylamino)benzonitrile,CN(C)C1=CC=C(C=C1)C#N,"InChI=1S/C9H10N2/c1-11(2)9-5-3-8(7-10)4-6-9/h3-6H,1-2H3",JYMNQRQQBJIMCV-UHFFFAOYSA-N,C9H10N2,146.19,146.0843983,2.2,27,158,0,0,2,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
2-CHLORO-4-NITROPHENOL,000619-08-9,12074,2-chloro-4-nitrophenol,C1=CC(=C(C=C1[N+](=O)[O-])Cl)O,"InChI=1S/C6H4ClNO3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H",BOFRXDMCQRTGII-UHFFFAOYSA-N,C6H4ClNO3,173.55,172.9879707,2.3,66.1,158,0,1,3,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-HYDROXY-5-NITROBENZENEMETHANOL,039224-61-8,2763823,2-(hydroxymethyl)-4-nitrophenol,C1=CC(=C(C=C1[N+](=O)[O-])CO)O,"InChI=1S/C7H7NO4/c9-4-5-3-6(8(11)12)1-2-7(5)10/h1-3,9-10H,4H2",JEIYIXDNZKATLC-UHFFFAOYSA-N,C7H7NO4,169.13,169.0375077,0.9,86.3,167,0,2,4,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-FLUORO-5-IODOBENZONITRILE,351003-36-6,2778928,2-fluoro-5-iodobenzonitrile,C1=CC(=C(C=C1I)C#N)F,InChI=1S/C7H3FIN/c8-7-2-1-6(9)3-5(7)4-10/h1-3H,BIZHQRAAZMDWNK-UHFFFAOYSA-N,C7H3FIN,247.01,246.92942,2.4,23.8,162,0,0,2,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-(HYDROXYMETHYL)BENZALDEHYDE,052010-97-6,556330,4-(hydroxymethyl)benzaldehyde,C1=CC(=CC=C1CO)C=O,"InChI=1S/C8H8O2/c9-5-7-1-2-8(6-10)4-3-7/h1-5,10H,6H2",ZFHUHPNDGVGXMS-UHFFFAOYSA-N,C8H8O2,136.15,136.0524295,0.8,37.3,104,0,1,2,2,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-DICHLOROPHENOXYACETIC ACID ISOPROPYL ESTER",000094-11-1,7173,"propan-2-yl 2-(2,4-dichlorophenoxy)acetate",CC(C)OC(=O)COC1=C(C=C(C=C1)Cl)Cl,"InChI=1S/C11H12Cl2O3/c1-7(2)16-11(14)6-15-10-4-3-8(12)5-9(10)13/h3-5,7H,6H2,1-2H3",WHOKDONDRZNCBC-UHFFFAOYSA-N,C11H12Cl2O3,263.11,262.0163496,3.9,35.5,233,0,0,3,5,16,"Greater than 175 °F (open cup) /2,4-D esters/",30 °C @ 1 mm Hg,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"PROPANOIC ACID, PHENYL ESTER",000637-27-4,12497,phenyl propanoate,CCC(=O)OC1=CC=CC=C1,"InChI=1S/C9H10O2/c1-2-9(10)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3",DYUMLJSJISTVPV-UHFFFAOYSA-N,C9H10O2,150.17,150.0680796,2,26.3,126,0,0,2,3,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1,3-DICHLORO-2-METHOXY-",001984-65-2,16127,"1,3-dichloro-2-methoxybenzene",COC1=C(C=CC=C1Cl)Cl,"InChI=1S/C7H6Cl2O/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,1H3",KZLMCDNAVVJKPX-UHFFFAOYSA-N,C7H6Cl2O,177.02,175.9795702,3.2,9.2,97,0,0,1,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, N-(2,6-DIMETHYLPHENYL)-",002198-53-0,16616,"N-(2,6-dimethylphenyl)acetamide",CC1=C(C(=CC=C1)C)NC(=O)C,"InChI=1S/C10H13NO/c1-7-5-4-6-8(2)10(7)11-9(3)12/h4-6H,1-3H3,(H,11,12)",NRPTXWYBRKRZES-UHFFFAOYSA-N,C10H13NO,163.22,163.099714,1.1,29.1,157,0,1,1,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, 4-PROPYL-",002696-84-6,75908,4-propylaniline,CCCC1=CC=C(C=C1)N,"InChI=1S/C9H13N/c1-2-3-8-4-6-9(10)7-5-8/h4-7H,2-3,10H2,1H3",OAPDPORYXWQVJE-UHFFFAOYSA-N,C9H13N,135.21,135.1047994,2.4,26,82,0,1,1,2,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PENTANOL, 4-METHYLBENZENESULFONATE",003813-69-2,99753,pentan-2-yl 4-methylbenzenesulfonate,CCCC(C)OS(=O)(=O)C1=CC=C(C=C1)C,"InChI=1S/C12H18O3S/c1-4-5-11(3)15-16(13,14)12-8-6-10(2)7-9-12/h6-9,11H,4-5H2,1-3H3",HQSHAZLGVDYADJ-UHFFFAOYSA-N,C12H18O3S,242.34,242.0976656,3.3,51.8,284,0,0,3,5,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZALDEHYDE, 4-ETHYL-",004748-78-1,20861,4-ethylbenzaldehyde,CCC1=CC=C(C=C1)C=O,"InChI=1S/C9H10O/c1-2-8-3-5-9(7-10)6-4-8/h3-7H,2H2,1H3",QNGNSVIICDLXHT-UHFFFAOYSA-N,C9H10O,134.17,134.0731649,2.4,17.1,101,0,0,1,2,10,,220.00 to 222.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, 2,5-DIMETHOXY-4-NITRO-",006313-37-7,80581,"2,5-dimethoxy-4-nitroaniline",COC1=CC(=C(C=C1N)OC)[N+](=O)[O-],"InChI=1S/C8H10N2O4/c1-13-7-4-6(10(11)12)8(14-2)3-5(7)9/h3-4H,9H2,1-2H3",ZTQGTYFYOODGOQ-UHFFFAOYSA-N,C8H10N2O4,198.18,198.0640568,1,90.3,206,0,1,5,2,14,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, 4-allyloxy-3-chlorophenyl-",022131-79-9,30951,2-(3-chloro-4-prop-2-enoxyphenyl)acetic acid,C=CCOC1=C(C=C(C=C1)CC(=O)O)Cl,"InChI=1S/C11H11ClO3/c1-2-5-15-10-4-3-8(6-9(10)12)7-11(13)14/h2-4,6H,1,5,7H2,(H,13,14)",ARHWPKZXBHOEEE-UHFFFAOYSA-N,C11H11ClO3,226.65,226.0396719,2.5,46.5,230,0,1,3,5,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 2,4-DIHYDROXY-3-METHYL-, METHYL ESTER",033662-58-7,118521,"methyl 2,4-dihydroxy-3-methylbenzoate",CC1=C(C=CC(=C1O)C(=O)OC)O,"InChI=1S/C9H10O4/c1-5-7(10)4-3-6(8(5)11)9(12)13-2/h3-4,10-11H,1-2H3",GDNUTKRFRLPQAB-UHFFFAOYSA-N,C9H10O4,182.17,182.0579088,2,66.8,192,0,2,4,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"ACETAMIDE, N-[4-[(DIMETHYLAMINO)SULFONYL]PHENYL]-",054951-54-1,97278,N-[4-(dimethylsulfamoyl)phenyl]acetamide,CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)C,"InChI=1S/C10H14N2O3S/c1-8(13)11-9-4-6-10(7-5-9)16(14,15)12(2)3/h4-7H,1-3H3,(H,11,13)",ZABKTFBXRPVLAO-UHFFFAOYSA-N,C10H14N2O3S,242.3,242.0725135,0.5,74.9,338,0,1,4,3,16,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEPROPANENITRILE, .ALPHA.-ETHENYL-.ALPHA.-METHYL-",097384-48-0,5463804,2-benzyl-2-methylbut-3-enenitrile,CC(CC1=CC=CC=C1)(C=C)C#N,"InChI=1S/C12H13N/c1-3-12(2,10-13)9-11-7-5-4-6-8-11/h3-8H,1,9H2,2H3",UKLOORXNVRHFRM-UHFFFAOYSA-N,C12H13N,171.24,171.1047994,3.1,23.8,217,0,0,1,3,13,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 2-CHLORO-1-METHYL-4-NITRO-",000121-86-8,8491,2-chloro-1-methyl-4-nitrobenzene,CC1=C(C=C(C=C1)[N+](=O)[O-])Cl,"InChI=1S/C7H6ClNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3",LLYXJBROWQDVMI-UHFFFAOYSA-N,C7H6ClNO2,171.58,171.0087061,3.4,45.8,157,0,0,2,0,11,138 °C,260 °C AT 760 MM HG,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"L-GLUTAMIC ACID, N-[4-(METHYLAMINO)BENZOYL]-, DIETHYL ESTER",002378-95-2,75413,diethyl (2S)-2-[[4-(methylamino)benzoyl]amino]pentanedioate,CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC,"InChI=1S/C17H24N2O5/c1-4-23-15(20)11-10-14(17(22)24-5-2)19-16(21)12-6-8-13(18-3)9-7-12/h6-9,14,18H,4-5,10-11H2,1-3H3,(H,19,21)/t14-/m0/s1",WBYNXAAEBPJETG-AWEZNQCLSA-N,C17H24N2O5,336.4,336.1685219,2.1,93.7,419,0,2,6,11,24,,,0,1,1,1,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0
"BIS(TRIMETHOXYSILYLETHYL)BENZENE, MIXED ISOMERS",266317-71-9,54176658,trimethoxy-[2-[2-(2-trimethoxysilylethyl)phenyl]ethyl]silane,CO[Si](CCC1=CC=CC=C1CC[Si](OC)(OC)OC)(OC)OC,"InChI=1S/C16H30O6Si2/c1-17-23(18-2,19-3)13-11-15-9-7-8-10-16(15)12-14-24(20-4,21-5)22-6/h7-10H,11-14H2,1-6H3",OYWCDPVWTJGDRT-UHFFFAOYSA-N,C16H30O6Si2,374.58,374.1580917,,55.4,288,0,0,6,12,24,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-DI-TERT-AMYLHYDROQUINONE",000079-74-3,6610,"2,5-bis(2-methylbutan-2-yl)benzene-1,4-diol",CCC(C)(C)C1=CC(=C(C=C1O)C(C)(C)CC)O,"InChI=1S/C16H26O2/c1-7-15(3,4)11-9-14(18)12(10-13(11)17)16(5,6)8-2/h9-10,17-18H,7-8H2,1-6H3",CZNRFEXEPBITDS-UHFFFAOYSA-N,C16H26O2,250.38,250.1932801,5.6,40.5,242,0,2,2,4,18,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
4-BROMOBENZYL BROMIDE,000589-15-1,68527,1-bromo-4-(bromomethyl)benzene,C1=CC(=CC=C1CBr)Br,"InChI=1S/C7H6Br2/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2",YLRBJYMANQKEAW-UHFFFAOYSA-N,C7H6Br2,249.93,249.88158,3.4,0,75,0,0,0,1,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,1,0,0
"BENZOIC ACID, 3-(CHLOROSULFONYL)-, METHYL ESTER",063555-50-0,113339,methyl 3-chlorosulfonylbenzoate,COC(=O)C1=CC(=CC=C1)S(=O)(=O)Cl,"InChI=1S/C8H7ClO4S/c1-13-8(10)6-3-2-4-7(5-6)14(9,11)12/h2-5H,1H3",SQIBNKUEUWGZBH-UHFFFAOYSA-N,C8H7ClO4S,234.66,233.9753576,2.2,68.8,306,0,0,4,3,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
GALLIC ACID,000149-91-7,370,"3,4,5-trihydroxybenzoic acid",C1=C(C=C(C(=C1O)O)O)C(=O)O,"InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)",LNTHITQWFMADLM-UHFFFAOYSA-N,C7H6O5,170.12,170.0215233,0.7,98,169,0,4,5,1,12,,"SUBLIMES (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"METHYL 2,5-DIHYDROXYBENZOATE",002150-46-1,75077,"methyl 2,5-dihydroxybenzoate",COC(=O)C1=C(C=CC(=C1)O)O,"InChI=1S/C8H8O4/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,9-10H,1H3",XGDPKUKRQHHZTH-UHFFFAOYSA-N,C8H8O4,168.15,168.0422587,2.6,66.8,168,0,2,4,2,12,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"BENZENESULFONIC ACID, 3,4-DIAMINO-",007474-78-4,81986,"3,4-diaminobenzenesulfonic acid",C1=CC(=C(C=C1S(=O)(=O)O)N)N,"InChI=1S/C6H8N2O3S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H,7-8H2,(H,9,10,11)",FKSRSWQTEJTBMI-UHFFFAOYSA-N,C6H8N2O3S,188.21,188.0255633,-0.6,115,246,0,3,5,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, BIS(ISOCYANATOMETHYL)-",025854-16-4,3035160,"1,2-bis(isocyanatomethyl)benzene",C1=CC=C(C(=C1)CN=C=O)CN=C=O,"InChI=1S/C10H8N2O2/c13-7-11-5-9-3-1-2-4-10(9)6-12-8-14/h1-4H,5-6H2",FKTHNVSLHLHISI-UHFFFAOYSA-N,C10H8N2O2,188.18,188.0585775,3.4,58.9,237,0,0,4,4,14,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"2,5-DIBROMOTOLUENE",000615-59-8,12006,"1,4-dibromo-2-methylbenzene",CC1=C(C=CC(=C1)Br)Br,"InChI=1S/C7H6Br2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3",QKEZTJYRBHOKHH-UHFFFAOYSA-N,C7H6Br2,249.93,249.88158,4.3,0,92,0,0,0,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PHLOROGLUCINOL,000108-73-6,359,"benzene-1,3,5-triol",C1=C(C=C(C=C1O)O)O,"InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H",QCDYQQDYXPDABM-UHFFFAOYSA-N,C6H6O3,126.11,126.031694,0.2,60.7,63,0,3,3,0,9,,,0,0,0,0,0,0,1,1,0,0,1,0,0,1,0,0,1,1,0,1
5-BROMOSALICYLIC ACID,000089-55-4,6972,5-bromo-2-hydroxybenzoic acid,C1=CC(=C(C=C1Br)C(=O)O)O,"InChI=1S/C7H5BrO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)",IEJOONSLOGAXNO-UHFFFAOYSA-N,C7H5BrO3,217.02,215.94221,3.2,57.5,160,0,2,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-DICHLOROBENZOIC ACID",000051-36-5,5811,"3,5-dichlorobenzoic acid",C1=C(C=C(C=C1Cl)Cl)C(=O)O,"InChI=1S/C7H4Cl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)",CXKCZFDUOYMOOP-UHFFFAOYSA-N,C7H4Cl2O2,191.01,189.9588348,2.8,37.3,151,0,1,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,5-DIHYDROXY-M-BENZENEDISULFONIC ACID DISODIUM SALT",000149-45-1,9001,"disodium;4,5-dihydroxybenzene-1,3-disulfonate",C1=C(C=C(C(=C1O)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C6H6O8S2.2Na/c7-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14;;/h1-2,7-8H,(H,9,10,11)(H,12,13,14);;/q;2*+1/p-2",ISWQCIVKKSOKNN-UHFFFAOYSA-L,C6H4Na2O8S2,314.2,313.914298,,172,413,0,2,8,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-DIBROMOTETRAFLUOROBENZENE",000344-03-6,67653,"1,4-dibromo-2,3,5,6-tetrafluorobenzene",C1(=C(C(=C(C(=C1Br)F)F)Br)F)F,InChI=1S/C6Br2F4/c7-1-3(9)5(11)2(8)6(12)4(1)10,QFTZULJNRAHOIY-UHFFFAOYSA-N,C6Br2F4,307.87,307.82824,3.7,0,134,0,0,4,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-NITROBENZENESULFONAMIDE,006325-93-5,22784,4-nitrobenzenesulfonamide,C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)N,"InChI=1S/C6H6N2O4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4H,(H2,7,11,12)",QWKKYJLAUWFPDB-UHFFFAOYSA-N,C6H6N2O4S,202.19,202.0048279,0.6,114,281,0,1,5,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"O-(2,3,4,5,6-PENTAFLUOROBENZYL)HYDROXYLAMINE HYDROCHLORIDE",057981-02-9,122307,"O-[(2,3,4,5,6-pentafluorophenyl)methyl]hydroxylamine;hydrochloride",C(C1=C(C(=C(C(=C1F)F)F)F)F)ON.Cl,"InChI=1S/C7H4F5NO.ClH/c8-3-2(1-14-13)4(9)6(11)7(12)5(3)10;/h1,13H2;1H",HVMVKNXIMUCYJA-UHFFFAOYSA-N,C7H5ClF5NO,249.56,248.9979823,,35.3,179,0,2,7,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-TERT-BUTOXYSTYRENE,095418-58-9,577531,1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene,CC(C)(C)OC1=CC=C(C=C1)C=C,"InChI=1S/C12H16O/c1-5-10-6-8-11(9-7-10)13-12(2,3)4/h5-9H,1H2,2-4H3",GRFNSWBVXHLTCI-UHFFFAOYSA-N,C12H16O,176.25,176.1201151,3.7,9.2,158,0,0,1,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHYL 4-METHYLBENZOATE,000094-08-6,66743,ethyl 4-methylbenzoate,CCOC(=O)C1=CC=C(C=C1)C,"InChI=1S/C10H12O2/c1-3-12-10(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3",NWPWRAWAUYIELB-UHFFFAOYSA-N,C10H12O2,164.2,164.0837296,2.9,26.3,146,0,0,2,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3,4-TRIMETHOXYBENZYL ALCOHOL",071989-96-3,123571,"(2,3,4-trimethoxyphenyl)methanol",COC1=C(C(=C(C=C1)CO)OC)OC,"InChI=1S/C10H14O4/c1-12-8-5-4-7(6-11)9(13-2)10(8)14-3/h4-5,11H,6H2,1-3H3",DGJVVEVPKPOLEV-UHFFFAOYSA-N,C10H14O4,198.22,198.0892089,0.9,47.9,162,0,1,4,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-AMINO-4'-BROMOACETOPHENONE HYDRO-CHLORIDE,005467-72-1,2798216,2-amino-1-(4-bromophenyl)ethanone;hydrochloride,C1=CC(=CC=C1C(=O)CN)Br.Cl,"InChI=1S/C8H8BrNO.ClH/c9-7-3-1-6(2-4-7)8(11)5-10;/h1-4H,5,10H2;1H",ROAVTVXTYFSQEA-UHFFFAOYSA-N,C8H9BrClNO,250.52,248.9556,,43.1,141,0,2,2,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4,6-TRIMETHYLBENZALDEHYDE",000487-68-3,10254,"2,4,6-trimethylbenzaldehyde",CC1=CC(=C(C(=C1)C)C=O)C,"InChI=1S/C10H12O/c1-7-4-8(2)10(6-11)9(3)5-7/h4-6H,1-3H3",HIKRJHFHGKZKRI-UHFFFAOYSA-N,C10H12O,148.2,148.088815,2.5,17.1,130,0,0,1,1,11,,238.50 °C. @ 760.00 mm Hg,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"METHYL 2,4-DIHYDROXYBENZOATE",002150-47-2,16523,"methyl 2,4-dihydroxybenzoate",COC(=O)C1=C(C=C(C=C1)O)O,"InChI=1S/C8H8O4/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4,9-10H,1H3",IIFCLXHRIYTHPV-UHFFFAOYSA-N,C8H8O4,168.15,168.0422587,2,66.8,168,0,2,4,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-BROMOBENZALDEHYDE DIMETHYL ACETAL,024856-58-4,688342,1-bromo-4-(dimethoxymethyl)benzene,COC(C1=CC=C(C=C1)Br)OC,"InChI=1S/C9H11BrO2/c1-11-9(12-2)7-3-5-8(10)6-4-7/h3-6,9H,1-2H3",TWFNGPDYMFEHOB-UHFFFAOYSA-N,C9H11BrO2,231.09,229.99424,2.2,18.5,118,0,0,2,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-CHLORO-2-NITROBENZOIC ACID,004771-47-5,20902,3-chloro-2-nitrobenzoic acid,C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])C(=O)O,"InChI=1S/C7H4ClNO4/c8-5-3-1-2-4(7(10)11)6(5)9(12)13/h1-3H,(H,10,11)",VCHSXYHBMFKRBK-UHFFFAOYSA-N,C7H4ClNO4,201.56,200.9828853,1.9,83.1,227,0,1,4,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
L-HOMOPHENYLALANINE,000943-73-7,2724505,(2S)-2-amino-4-phenylbutanoic acid,C1=CC=C(C=C1)CC[C@@H](C(=O)O)N,"InChI=1S/C10H13NO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1",JTTHKOPSMAVJFE-VIFPVBQESA-N,C10H13NO2,179.22,179.0946287,-1.2,63.3,164,0,2,3,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAFLUOROTEREPHTALIC ALDEHYDE,003217-47-8,10420501,"2,3,5,6-tetrafluoroterephthalaldehyde",C(=O)C1=C(C(=C(C(=C1F)F)C=O)F)F,InChI=1S/C8H2F4O2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11/h1-2H,WJHRAPYKYJKACM-UHFFFAOYSA-N,C8H2F4O2,206.09,205.999092,1.2,34.1,195,0,0,6,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,4-DIBROMO-2,3-DIFLUOROBENZENE",156682-52-9,18462393,"1,4-dibromo-2,3-difluorobenzene",C1=CC(=C(C(=C1Br)F)F)Br,InChI=1S/C6H2Br2F2/c7-3-1-2-4(8)6(10)5(3)9/h1-2H,RGXGEFSBDPGCEU-UHFFFAOYSA-N,C6H2Br2F2,271.88,271.84708,3.5,0,106,0,0,2,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,6-DICHLOROIODOBENZENE",019230-28-5,140498,"1,3-dichloro-2-iodobenzene",C1=CC(=C(C(=C1)Cl)I)Cl,InChI=1S/C6H3Cl2I/c7-4-2-1-3-5(8)6(4)9/h1-3H,ZMPGXSFTXBOKFM-UHFFFAOYSA-N,C6H3Cl2I,272.89,271.86565,4.6,0,87,0,0,0,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3-DIHYDROXYTEREPHTHALIC ACID",019829-72-2,88273,"2,3-dihydroxyterephthalic acid",C1=CC(=C(C(=C1C(=O)O)O)O)C(=O)O,"InChI=1S/C8H6O6/c9-5-3(7(11)12)1-2-4(6(5)10)8(13)14/h1-2,9-10H,(H,11,12)(H,13,14)",OHLSHRJUBRUKAN-UHFFFAOYSA-N,C8H6O6,198.13,198.0164379,1.5,115,224,0,4,6,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, PENTABROMOETHYL-",000085-22-3,6800,"1,2,3,4,5-pentabromo-6-ethylbenzene",CCC1=C(C(=C(C(=C1Br)Br)Br)Br)Br,"InChI=1S/C8H5Br5/c1-2-3-4(9)6(11)8(13)7(12)5(3)10/h2H2,1H3",FIAXCDIQXHJNIX-UHFFFAOYSA-N,C8H5Br5,500.64,499.62671,6.2,0,158,0,0,0,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-(AMINOCARBONYL)-",000088-97-1,6957,2-carbamoylbenzoic acid,C1=CC=C(C(=C1)C(=O)N)C(=O)O,"InChI=1S/C8H7NO3/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H2,9,10)(H,11,12)",CYMRPDYINXWJFU-UHFFFAOYSA-N,C8H7NO3,165.15,165.0425931,0.1,80.4,202,0,2,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANAMIDE, N-(4-HYDROXYPHENYL)-",000101-91-7,66874,N-(4-hydroxyphenyl)butanamide,CCCC(=O)NC1=CC=C(C=C1)O,"InChI=1S/C10H13NO2/c1-2-3-10(13)11-8-4-6-9(12)7-5-8/h4-7,12H,2-3H2,1H3,(H,11,13)",KESXDDATSRRGAH-UHFFFAOYSA-N,C10H13NO2,179.22,179.0946287,1.7,49.3,162,0,2,2,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZALDEHYDE, 5-CHLORO-2-HYDROXY-",000635-93-8,12481,5-chloro-2-hydroxybenzaldehyde,C1=CC(=C(C=C1Cl)C=O)O,"InChI=1S/C7H5ClO2/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10H",FUGKCSRLAQKUHG-UHFFFAOYSA-N,C7H5ClO2,156.56,155.9978071,2.4,37.3,127,0,1,2,1,10,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPYNOIC ACID, 3-PHENYL-",000637-44-5,69475,3-phenylprop-2-ynoic acid,C1=CC=C(C=C1)C#CC(=O)O,"InChI=1S/C9H6O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,(H,10,11)",XNERWVPQCYSMLC-UHFFFAOYSA-N,C9H6O2,146.14,146.0367794,2,37.3,200,0,1,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHONIC ACID, (PHENYLMETHYL)-, DIETHYL ESTER",001080-32-6,14122,diethoxyphosphorylmethylbenzene,CCOP(=O)(CC1=CC=CC=C1)OCC,"InChI=1S/C11H17O3P/c1-3-13-15(12,14-4-2)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3",AIPRAPZUGUTQKX-UHFFFAOYSA-N,C11H17O3P,228.22,228.0915314,1.7,35.5,202,0,0,3,6,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-(DIMETHYLAMINO)ETHYL ESTER",002208-05-1,75158,2-(dimethylamino)ethyl benzoate,CN(C)CCOC(=O)C1=CC=CC=C1,"InChI=1S/C11H15NO2/c1-12(2)8-9-14-11(13)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3",KJSGODDTWRXQRH-UHFFFAOYSA-N,C11H15NO2,193.24,193.1102787,2.1,29.5,174,0,0,3,5,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, PENTAMETHYL-",002819-86-5,17783,"2,3,4,5,6-pentamethylphenol",CC1=C(C(=C(C(=C1C)C)O)C)C,"InChI=1S/C11H16O/c1-6-7(2)9(4)11(12)10(5)8(6)3/h12H,1-5H3",WALBTDFSFTVXII-UHFFFAOYSA-N,C11H16O,164.24,164.1201151,3.4,20.2,139,0,1,1,0,12,,267 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-BENZENEDICARBOXYLIC ACID, 4-METHYL-",004316-23-8,20310,4-methylphthalic acid,CC1=CC(=C(C=C1)C(=O)O)C(=O)O,"InChI=1S/C9H8O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)",CWJJAFQCTXFSTA-UHFFFAOYSA-N,C9H8O4,180.16,180.0422587,2.3,74.6,224,0,2,4,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZAMIDE, 4-METHOXY-3-NITRO-",010397-58-7,82603,4-methoxy-3-nitrobenzamide,COC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-],"InChI=1S/C8H8N2O4/c1-14-7-3-2-5(8(9)11)4-6(7)10(12)13/h2-4H,1H3,(H2,9,11)",PCQFJXUTKOUTRW-UHFFFAOYSA-N,C8H8N2O4,196.16,196.0484067,0.6,98.1,238,0,1,4,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZALDEHYDE, 4-(2-HYDROXYETHOXY)-",022042-73-5,89178,4-(2-hydroxyethoxy)benzaldehyde,C1=CC(=CC=C1C=O)OCCO,"InChI=1S/C9H10O3/c10-5-6-12-9-3-1-8(7-11)2-4-9/h1-4,7,10H,5-6H2",VCDGTEZSUNFOKA-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,1.1,46.5,128,0,1,3,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, 1,4-DIMETHOXY-2-METHYL-",024599-58-4,90552,"1,4-dimethoxy-2-methylbenzene",CC1=C(C=CC(=C1)OC)OC,"InChI=1S/C9H12O2/c1-7-6-8(10-2)4-5-9(7)11-3/h4-6H,1-3H3",IQISOVKPFBLQIQ-UHFFFAOYSA-N,C9H12O2,152.19,152.0837296,2.7,18.5,114,0,0,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2,3,5-TRICHLORO-6-HYDROXY-",040932-60-3,94511,"2,3,5-trichloro-6-hydroxybenzoic acid",C1=C(C(=C(C(=C1Cl)Cl)C(=O)O)O)Cl,"InChI=1S/C7H3Cl3O3/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1,11H,(H,12,13)",IIHCUZVBIMTHEB-UHFFFAOYSA-N,C7H3Cl3O3,241.5,239.914777,3.9,57.5,211,0,2,3,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEMETHANAMINE, AR-ETHENYL-N,N-DIMETHYL-",050976-17-5,519956,"1-(4-ethenylphenyl)-N,N-dimethylmethanamine",CN(C)CC1=CC=C(C=C1)C=C,"InChI=1S/C11H15N/c1-4-10-5-7-11(8-6-10)9-12(2)3/h4-8H,1,9H2,2-3H3",XQBHAZDVLGNSOJ-UHFFFAOYSA-N,C11H15N,161.24,161.1204495,2.5,3.2,132,0,0,1,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-PENTANONE, 1-(4-CHLOROPHENYL)-4,4-DIMETHYL-",066346-01-8,94617,"1-(4-chlorophenyl)-4,4-dimethylpentan-3-one",CC(C)(C)C(=O)CCC1=CC=C(C=C1)Cl,"InChI=1S/C13H17ClO/c1-13(2,3)12(15)9-6-10-4-7-11(14)8-5-10/h4-5,7-8H,6,9H2,1-3H3",ILQGIJDYSLHIOX-UHFFFAOYSA-N,C13H17ClO,224.72,224.0967929,3.9,17.1,209,0,0,1,4,15,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENEPROPANAL, 4-ETHYL-.ALPHA.,.ALPHA.-DIMETHYL-",067634-15-5,105513,"3-(4-ethylphenyl)-2,2-dimethylpropanal",CCC1=CC=C(C=C1)CC(C)(C)C=O,"InChI=1S/C13H18O/c1-4-11-5-7-12(8-6-11)9-13(2,3)10-14/h5-8,10H,4,9H2,1-3H3",JFTSYAALCNQOKO-UHFFFAOYSA-N,C13H18O,190.28,190.1357652,3.3,17.1,176,0,0,1,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZONITRILE, 2-AMINO-5-NITRO-",017420-30-3,28532,2-amino-5-nitrobenzonitrile,C1=CC(=C(C=C1[N+](=O)[O-])C#N)N,"InChI=1S/C7H5N3O2/c8-4-5-3-6(10(11)12)1-2-7(5)9/h1-3H,9H2",MGCGMYPNXAFGFA-UHFFFAOYSA-N,C7H5N3O2,163.13,163.0381764,1.8,95.6,227,0,1,4,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-AMINOACETANILIDE,000122-80-5,31230,N-(4-aminophenyl)acetamide,CC(=O)NC1=CC=C(C=C1)N,"InChI=1S/C8H10N2O/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)",CHMBIJAOCISYEW-UHFFFAOYSA-N,C8H10N2O,150.18,150.0793129,0.1,55.1,139,0,2,2,1,11,,"513 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0
METHYL CINNAMATE,000103-26-4,637520,methyl (E)-3-phenylprop-2-enoate,COC(=O)/C=C/C1=CC=CC=C1,"InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7+",CCRCUPLGCSFEDV-BQYQJAHWSA-N,C10H10O2,162.18,162.0680796,2.6,26.3,167,0,0,2,3,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZALDEHYDE, 4-[(2-CHLOROETHYL)ETHYLAMINO]-2-METHYL-",000092-10-4,66694,4-[2-chloroethyl(ethyl)amino]-2-methylbenzaldehyde,CCN(CCCl)C1=CC(=C(C=C1)C=O)C,"InChI=1S/C12H16ClNO/c1-3-14(7-6-13)12-5-4-11(9-15)10(2)8-12/h4-5,8-9H,3,6-7H2,1-2H3",VPQJPICTQVMGOG-UHFFFAOYSA-N,C12H16ClNO,225.71,225.0920418,2.8,20.3,198,0,0,2,5,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,4-BENZENEDIAMINE, 2-NITRO-, SULFATE (1:1)",068239-83-8,5361845,"2-nitrobenzene-1,4-diamine;sulfuric acid",C1=CC(=C(C=C1N)[N+](=O)[O-])N.OS(=O)(=O)O,"InChI=1S/C6H7N3O2.H2O4S/c7-4-1-2-5(8)6(3-4)9(10)11;1-5(2,3)4/h1-3H,7-8H2;(H2,1,2,3,4)",XRALJHVEDJNLBL-UHFFFAOYSA-N,C6H9N3O6S,251.22,251.0212062,,181,238,0,4,8,0,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENESULFONIC ACID, 4-[(1,3-DIOXOBUTYL)AMINO]-5-METHOXY-2-METHYL-, MONOSODIU",133167-77-8,23673625,sodium 5-methoxy-2-methyl-4-(3-oxobutanoylamino)benzenesulfonate,CC1=CC(=C(C=C1S(=O)(=O)[O-])OC)NC(=O)CC(=O)C.[Na+],"InChI=1S/C12H15NO6S.Na/c1-7-4-9(13-12(15)5-8(2)14)10(19-3)6-11(7)20(16,17)18;/h4,6H,5H2,1-3H3,(H,13,15)(H,16,17,18);/q;+1/p-1",ZAUOYAYGXONHDV-UHFFFAOYSA-M,C12H14NNaO6S,323.3,323.0439526,,121,475,0,1,6,5,21,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
9-PHENYL NONANOIC ACID,016269-06-0,3292215,9-phenylnonanoic acid,C1=CC=C(C=C1)CCCCCCCCC(=O)O,"InChI=1S/C15H22O2/c16-15(17)13-9-4-2-1-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12H,1-4,6,9-10,13H2,(H,16,17)",URWLWLXGACJYCO-UHFFFAOYSA-N,C15H22O2,234.33,234.1619799,4.6,37.3,195,0,1,2,9,17,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
BENZENEPENTANOL,010521-91-2,61523,5-phenylpentan-1-ol,C1=CC=C(C=C1)CCCCCO,"InChI=1S/C11H16O/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10H2",DPZMVZIQRMVBBW-UHFFFAOYSA-N,C11H16O,164.24,164.1201151,2.8,20.2,95,0,1,1,5,12,,155.00 °C. @ 20.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
METHYL ANTHRANILATE,000134-20-3,8635,methyl 2-aminobenzoate,COC(=O)C1=CC=CC=C1N,"InChI=1S/C8H9NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3",VAMXMNNIEUEQDV-UHFFFAOYSA-N,C8H9NO2,151.16,151.0633285,1.9,52.3,147,0,1,3,2,11,"220 °F (NTP, 1992)","493 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"(2,2-DIMETHOXYETHYL)BENZENE",000101-48-4,60995,"2,2-dimethoxyethylbenzene",COC(CC1=CC=CC=C1)OC,"InChI=1S/C10H14O2/c1-11-10(12-2)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3",WNJSKZBEWNVKGU-UHFFFAOYSA-N,C10H14O2,166.22,166.0993797,2.1,18.5,104,0,0,2,4,12,,219.00 to 221.00 °C. @ 754.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, 4-HYDROXY-, MONOSODIUM SALT",000825-90-1,4379756,sodium 4-hydroxybenzenesulfonate,C1=CC(=CC=C1O)S(=O)(=O)[O-].[Na+],"InChI=1S/C6H6O4S.Na/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4,7H,(H,8,9,10);/q;+1/p-1",BYMHXIQVEAYSJD-UHFFFAOYSA-M,C6H5NaO4S,196.16,195.9806241,,85.8,212,0,1,4,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEPROPANOL, .ALPHA.,.BETA.-DIMETHYL-",056836-93-2,92543,3-methyl-4-phenylbutan-2-ol,CC(CC1=CC=CC=C1)C(C)O,"InChI=1S/C11H16O/c1-9(10(2)12)8-11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3",VSIXJPFQJMODCS-UHFFFAOYSA-N,C11H16O,164.24,164.1201151,2.7,20.2,116,0,1,1,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"UREA, (3-AMINOPHENYL)-, MONOHYDROCHLORIDE",059690-88-9,108805,(3-aminophenyl)urea;hydrochloride,C1=CC(=CC(=C1)NC(=O)N)N.Cl,"InChI=1S/C7H9N3O.ClH/c8-5-2-1-3-6(4-5)10-7(9)11;/h1-4H,8H2,(H3,9,10,11);1H",VTTUKXZEJFCOIL-UHFFFAOYSA-N,C7H10ClN3O,187.63,187.0512396,,81.1,149,0,4,2,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-HEXEN-3-ONE, 5-METHYL-1-PHENYL-",002892-18-4,5354491,(E)-5-methyl-1-phenylhex-1-en-3-one,CC(C)CC(=O)/C=C/C1=CC=CC=C1,"InChI=1S/C13H16O/c1-11(2)10-13(14)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8+",LLVCDRTZBYXKII-CMDGGOBGSA-N,C13H16O,188.26,188.1201151,3.3,17.1,197,0,0,1,4,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, (2-phenylbutyryl)-",90-49-3,72060,N-carbamoyl-2-phenylbutanamide,CCC(C1=CC=CC=C1)C(=O)NC(=O)N,"InChI=1S/C11H14N2O2/c1-2-9(10(14)13-11(12)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H3,12,13,14,15)",AJOQSQHYDOFIOX-UHFFFAOYSA-N,C11H14N2O2,206.24,206.1055277,1.8,72.2,235,0,2,2,3,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"m-Benzenedisulfonic acid, 4,5-dihydroxy-",149-46-2,9002,"4,5-dihydroxybenzene-1,3-disulfonic acid",C1=C(C=C(C(=C1O)O)S(=O)(=O)O)S(=O)(=O)O,"InChI=1S/C6H6O8S2/c7-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14/h1-2,7-8H,(H,9,10,11)(H,12,13,14)",XXAXVMUWHZHZMJ-UHFFFAOYSA-N,C6H6O8S2,270.2,269.9504095,-0.7,166,440,0,4,8,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenethylamine, p-fluoro-, hydrochloride",459-19-8,197725,2-(4-fluorophenyl)ethanamine;hydrochloride,C1=CC(=CC=C1CCN)F.Cl,"InChI=1S/C8H10FN.ClH/c9-8-3-1-7(2-4-8)5-6-10;/h1-4H,5-6,10H2;1H",LDSVEOCTJMJEQM-UHFFFAOYSA-N,C8H11ClFN,175.63,175.0564052,,26,87,0,2,2,2,11,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Hydrazine, benzyl-",555-96-4,11157,benzylhydrazine,C1=CC=C(C=C1)CNN,"InChI=1S/C7H10N2/c8-9-6-7-4-2-1-3-5-7/h1-5,9H,6,8H2",NHOWLEZFTHYCTP-UHFFFAOYSA-N,C7H10N2,122.17,122.0843983,0.8,38.1,67,0,2,2,2,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenethylamine, 3,4-dihydroxy-, hydrobromide",645-31-8,71564,"4-(2-aminoethyl)benzene-1,2-diol;hydrobromide",C1=CC(=C(C=C1CCN)O)O.Br,"InChI=1S/C8H11NO2.BrH/c9-4-3-6-1-2-7(10)8(11)5-6;/h1-2,5,10-11H,3-4,9H2;1H",SGRSNYSOAPBTJP-UHFFFAOYSA-N,C8H12BrNO2,234.09,233.00514,,66.5,119,0,4,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphorodithioic acid, O,O-diisopropyl ester, S-ester with N-(2-mercaptoethyl)benzenesulfonamide",741-58-2,12932,N-[2-di(propan-2-yloxy)phosphinothioylsulfanylethyl]benzenesulfonamide,CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)C1=CC=CC=C1,"InChI=1S/C14H24NO4PS3/c1-12(2)18-20(21,19-13(3)4)22-11-10-15-23(16,17)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3",RRNIZKPFKNDSRS-UHFFFAOYSA-N,C14H24NO4PS3,397.5,397.0605088,4.2,130,471,0,1,7,10,23,157 °C,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 2,6-bis(1,1-dimethylethyl)-4-mercapto-",950-59-4,70370,"2,6-ditert-butyl-4-sulfanylphenol",CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)S,"InChI=1S/C14H22OS/c1-13(2,3)10-7-9(16)8-11(12(10)15)14(4,5)6/h7-8,15-16H,1-6H3",NFVMNXZFSKGLDR-UHFFFAOYSA-N,C14H22OS,238.39,238.1391365,5.1,21.2,212,0,2,2,2,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Benzoic acid, 4-chloro-3-sulfamoyl-",1205-30-7,14568,4-chloro-3-sulfamoylbenzoic acid,C1=CC(=C(C=C1C(=O)O)S(=O)(=O)N)Cl,"InChI=1S/C7H6ClNO4S/c8-5-2-1-4(7(10)11)3-6(5)14(9,12)13/h1-3H,(H,10,11)(H2,9,12,13)",FHQAWINGVCDTTG-UHFFFAOYSA-N,C7H6ClNO4S,235.65,234.9706065,0.6,106,323,0,2,5,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzaldehyde, p-(bis(2-chloroethyl)amino)-",1208-03-3,71018,4-[bis(2-chloroethyl)amino]benzaldehyde,C1=CC(=CC=C1C=O)N(CCCl)CCCl,"InChI=1S/C11H13Cl2NO/c12-5-7-14(8-6-13)11-3-1-10(9-15)2-4-11/h1-4,9H,5-8H2",PXUFHXLGUJLBMI-UHFFFAOYSA-N,C11H13Cl2NO,246.13,245.0374194,2.4,20.3,175,0,0,2,6,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Isothiocyanic acid, 3-chlorophenyl ester",2392-68-9,75449,1-chloro-3-isothiocyanatobenzene,C1=CC(=CC(=C1)Cl)N=C=S,InChI=1S/C7H4ClNS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H,WGXCKFMVBAOIFH-UHFFFAOYSA-N,C7H4ClNS,169.63,168.975298,4.1,44.5,154,0,0,2,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, 2-(2,4-dinitrophenyl)hydrazide",7/5/19,3807640,"N'-(2,4-dinitrophenyl)acetohydrazide",CC(=O)NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C8H8N4O5/c1-5(13)9-10-7-3-2-6(11(14)15)4-8(7)12(16)17/h2-4,10H,1H3,(H,9,13)",NYZGFEVPHFYXKA-UHFFFAOYSA-N,C8H8N4O5,240.17,240.0494694,1.7,133,323,0,2,6,2,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Sulfone, ethyl p-fluorophenyl",2924-67-6,71814,1-ethylsulfonyl-4-fluorobenzene,CCS(=O)(=O)C1=CC=C(C=C1)F,"InChI=1S/C8H9FO2S/c1-2-12(10,11)8-5-3-7(9)4-6-8/h3-6H,2H2,1H3",PRNNIHPVNFPWAH-UHFFFAOYSA-N,C8H9FO2S,188.22,188.0307289,1.6,42.5,222,0,0,3,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 2,4-diisopropyl-",5/6/34,18048,"2,4-di(propan-2-yl)phenol",CC(C)C1=CC(=C(C=C1)O)C(C)C,"InChI=1S/C12H18O/c1-8(2)10-5-6-12(13)11(7-10)9(3)4/h5-9,13H,1-4H3",KEUMBYCOWGLRBQ-UHFFFAOYSA-N,C12H18O,178.27,178.1357652,3.8,20.2,151,0,1,1,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, 3,5-dimethoxy-4-hydroxy-",3086-72-4,76522,"4-hydroxy-3,5-dimethoxybenzamide",COC1=CC(=CC(=C1O)OC)C(=O)N,"InChI=1S/C9H11NO4/c1-13-6-3-5(9(10)12)4-7(14-2)8(6)11/h3-4,11H,1-2H3,(H2,10,12)",XWMSEZHMHBQVLE-UHFFFAOYSA-N,C9H11NO4,197.19,197.0688078,0.4,81.8,195,0,2,4,3,14,,,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0
"1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-, (+-)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1) (salt)",3414-63-9,165118,"4-(2-amino-1-hydroxyethyl)benzene-1,2-diol;(2R,3R)-2,3-dihydroxybutanedioate",C1=CC(=C(C=C1C(CN)O)O)O.[C@@H]([C@H](C(=O)[O-])O)(C(=O)[O-])O,"InChI=1S/C8H11NO3.C4H6O6/c9-4-8(12)5-1-2-6(10)7(11)3-5;5-1(3(7)8)2(6)4(9)10/h1-3,8,10-12H,4,9H2;1-2,5-6H,(H,7,8)(H,9,10)/p-2/t;1-,2-/m.1/s1",WNPNNLQNNJQYFA-LREBCSMRSA-L,C12H15NO9-2,317.25,317.0746811,,207,265,-2,6,10,3,22,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, (2,4-dichlorophenoxy)-, compd. with 2-aminoethanol (1:1)",3599-58-4,19192,"2-(2,4-dichlorophenoxy)acetate;2-hydroxyethylazanium",C1=CC(=C(C=C1Cl)Cl)OCC(=O)[O-].C(CO)[NH3+],"InChI=1S/C8H6Cl2O3.C2H7NO/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;3-1-2-4/h1-3H,4H2,(H,11,12);4H,1-3H2",LWEGPOVUIQAHBP-UHFFFAOYSA-N,C10H13Cl2NO4,282.12,281.0221633,,97.2,191,0,2,4,3,17,,,0,0,0,1,0,1,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"Ethanol, 2-diethylamino-, carbanilate",3898-59-7,19538,2-(diethylamino)ethyl N-phenylcarbamate,CCN(CC)CCOC(=O)NC1=CC=CC=C1,"InChI=1S/C13H20N2O2/c1-3-15(4-2)10-11-17-13(16)14-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,14,16)",MWEVNHAXSNULII-UHFFFAOYSA-N,C13H20N2O2,236.31,236.1524779,2.7,41.6,211,0,1,3,7,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 3,4-dimethoxy-, ethyl ester",3943-77-9,77546,"ethyl 3,4-dimethoxybenzoate",CCOC(=O)C1=CC(=C(C=C1)OC)OC,"InChI=1S/C11H14O4/c1-4-15-11(12)8-5-6-9(13-2)10(7-8)14-3/h5-7H,4H2,1-3H3",AYYNUGSDPRDVCH-UHFFFAOYSA-N,C11H14O4,210.23,210.0892089,2.3,44.8,205,0,0,4,5,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Tyrosine, ethyl ester, hydrochloride, L-",4089-07-0,2724939,ethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate;hydrochloride,CCOC(=O)[C@H](CC1=CC=C(C=C1)O)N.Cl,"InChI=1S/C11H15NO3.ClH/c1-2-15-11(14)10(12)7-8-3-5-9(13)6-4-8;/h3-6,10,13H,2,7,12H2,1H3;1H/t10-;/m0./s1",BQULAXAVRFIAHN-PPHPATTJSA-N,C11H16ClNO3,245.7,245.0818711,,72.6,200,0,3,4,5,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Sulfamide, N,N-dimethyl-N'-phenyl-",4710-17-2,78441,(dimethylsulfamoylamino)benzene,CN(C)S(=O)(=O)NC1=CC=CC=C1,"InChI=1S/C8H12N2O2S/c1-10(2)13(11,12)9-8-6-4-3-5-7-8/h3-7,9H,1-2H3",QCDQDISRALTLNQ-UHFFFAOYSA-N,C8H12N2O2S,200.26,200.0619488,0.9,57.8,237,0,1,4,3,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Sulfide, methyl m-tolyl",4886-77-5,21005,1-methyl-3-methylsulfanylbenzene,CC1=CC(=CC=C1)SC,"InChI=1S/C8H10S/c1-7-4-3-5-8(6-7)9-2/h3-6H,1-2H3",HCQVSQDSAZSABA-UHFFFAOYSA-N,C8H10S,138.23,138.0503215,3.2,25.3,80,0,0,1,1,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenethylamine, o-methoxy-N, alpha-dimethyl-, hydrochloride",10/3/88,9859211,1-(2-methoxyphenyl)-N-methylpropan-2-amine;hydrochloride,CC(CC1=CC=CC=C1OC)NC.Cl,"InChI=1S/C11H17NO.ClH/c1-9(12-2)8-10-6-4-5-7-11(10)13-3;/h4-7,9,12H,8H2,1-3H3;1H",FGSJNNQVSUVTPW-UHFFFAOYSA-N,C11H18ClNO,215.72,215.1076919,,21.3,138,0,2,2,4,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propanoic acid, 2-amino-3-phenyl-, methyl ester, hydrochloride",7/8/19,3084017,methyl 2-amino-3-phenylpropanoate;hydrochloride,COC(=O)C(CC1=CC=CC=C1)N.Cl,"InChI=1S/C10H13NO2.ClH/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H",SWVMLNPDTIFDDY-UHFFFAOYSA-N,C10H14ClNO2,215.67,215.0713064,,52.3,164,0,2,3,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
p-Tolueneboronic acid,5/8/20,79799,(4-methylphenyl)boronic acid,B(C1=CC=C(C=C1)C)(O)O,"InChI=1S/C7H9BO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5,9-10H,1H3",BIWQNIMLAISTBV-UHFFFAOYSA-N,C7H9BO2,135.96,136.0695597,,40.5,97,0,2,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 4-amino-3-butoxy-, 2-(diethylamino)ethyl ester, monohydrochloride",5987-82-6,6420040,2-(diethylamino)ethyl 4-amino-3-butoxybenzoate;hydrochloride,CCCCOC1=C(C=CC(=C1)C(=O)OCCN(CC)CC)N.Cl,"InChI=1S/C17H28N2O3.ClH/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3;/h8-9,13H,4-7,10-12,18H2,1-3H3;1H",PRGUDWLMFLCODA-UHFFFAOYSA-N,C17H29ClN2O3,344.9,344.1866705,,64.8,308,0,2,5,11,23,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ammonium, benzyltrimethyl-, hexafluorophosphate(1-)",6427-70-9,22939,benzyl(trimethyl)azanium hexafluorophosphate,C[N+](C)(C)CC1=CC=CC=C1.F[P-](F)(F)(F)(F)F,"InChI=1S/C10H16N.F6P/c1-11(2,3)9-10-7-5-4-6-8-10;1-7(2,3,4,5)6/h4-8H,9H2,1-3H3;/q+1;-1",YVHTWMLHAAQMDD-UHFFFAOYSA-N,C10H16F6NP,295.2,295.0924555,,0,169,0,0,7,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, m-hydroxy-, monosodium salt",7720-19-6,23675765,sodium 3-hydroxybenzoate,C1=CC(=CC(=C1)O)C(=O)[O-].[Na+],"InChI=1S/C7H6O3.Na/c8-6-3-1-2-5(4-6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1",UZLYOWSQVRAOBL-UHFFFAOYSA-M,C7H5NaO3,160.1,160.0136383,,60.4,138,0,1,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
Valeranilide,10264-18-3,82501,N-phenylpentanamide,CCCCC(=O)NC1=CC=CC=C1,"InChI=1S/C11H15NO/c1-2-3-9-11(13)12-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,12,13)",PGMBORLSOHYBFJ-UHFFFAOYSA-N,C11H15NO,177.24,177.1153641,2.6,29.1,150,0,1,1,4,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, 2-(3,4-dimethylphenoxy)-",13335-73-4,83355,"2-(3,4-dimethylphenoxy)acetic acid",CC1=C(C=C(C=C1)OCC(=O)O)C,"InChI=1S/C10H12O3/c1-7-3-4-9(5-8(7)2)13-6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)",GIEQJKZWTIFEJM-UHFFFAOYSA-N,C10H12O3,180.2,180.0786442,2.1,46.5,179,0,1,3,3,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Salicylamide, N-(hydroxymethyl)-",13436-87-8,95698,2-hydroxy-N-(hydroxymethyl)benzamide,C1=CC=C(C(=C1)C(=O)NCO)O,"InChI=1S/C8H9NO3/c10-5-9-8(12)6-3-1-2-4-7(6)11/h1-4,10-11H,5H2,(H,9,12)",LJZYAHCUAUNANB-UHFFFAOYSA-N,C8H9NO3,167.16,167.0582431,0.8,69.6,160,0,3,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-Benzenedicarbonitrile, 4-fluoro-",13519-90-9,202921,"4-fluorobenzene-1,3-dicarbonitrile",C1=CC(=C(C=C1C#N)C#N)F,InChI=1S/C8H3FN2/c9-8-2-1-6(4-10)3-7(8)5-11/h1-3H,FVEDLRVIWHFCBB-UHFFFAOYSA-N,C8H3FN2,146.12,146.0280263,1.5,47.6,231,0,0,3,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cinnamaldehyde, p-bromo-beta-chloro-",14063-78-6,6433595,(Z)-3-(4-bromophenyl)-3-chloroprop-2-enal,C1=CC(=CC=C1/C(=C/C=O)/Cl)Br,InChI=1S/C9H6BrClO/c10-8-3-1-7(2-4-8)9(11)5-6-12/h1-6H/b9-5-,BMEIVZSKOZFHRN-UITAMQMPSA-N,C9H6BrClO,245.5,243.92906,2.9,17.1,183,0,0,1,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Benzoic acid, 2-hydroxy-6-pentadecyl-",16611-84-0,167551,2-hydroxy-6-pentadecylbenzoic acid,CCCCCCCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O,"InChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h15,17-18,23H,2-14,16H2,1H3,(H,24,25)",ADFWQBGTDJIESE-UHFFFAOYSA-N,C22H36O3,348.5,348.266445,9.5,57.5,329,0,2,3,15,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, 2-thio-1-(2,4-xylyl)-",16738-20-8,2798617,"(2,4-dimethylphenyl)thiourea",CC1=CC(=C(C=C1)NC(=S)N)C,"InChI=1S/C9H12N2S/c1-6-3-4-8(7(2)5-6)11-9(10)12/h3-5H,1-2H3,(H3,10,11,12)",KAGLPYRXTCQWHU-UHFFFAOYSA-N,C9H12N2S,180.27,180.0721196,1.5,70.1,170,0,2,1,1,12,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hydrocinnamonitrile, alpha-chloro-p-nitro-",17849-31-9,64831,2-chloro-3-(4-nitrophenyl)propanenitrile,C1=CC(=CC=C1CC(C#N)Cl)[N+](=O)[O-],"InChI=1S/C9H7ClN2O2/c10-8(6-11)5-7-1-3-9(4-2-7)12(13)14/h1-4,8H,5H2",MZPNWHGZPIHRNC-UHFFFAOYSA-N,C9H7ClN2O2,210.62,210.0196052,2.4,69.6,247,0,0,3,2,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Phenol, 4-(ethylthio)-, methylcarbamate",18809-57-9,167753,(4-ethylsulfanylphenyl) N-methylcarbamate,CCSC1=CC=C(C=C1)OC(=O)NC,"InChI=1S/C10H13NO2S/c1-3-14-9-6-4-8(5-7-9)13-10(12)11-2/h4-7H,3H2,1-2H3,(H,11,12)",OZJCQBUSEOVJOW-UHFFFAOYSA-N,C10H13NO2S,211.28,211.0666998,2.3,63.6,179,0,1,3,4,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzonitrile, 3,5-dimethoxy-",19179-31-8,29482,"3,5-dimethoxybenzonitrile",COC1=CC(=CC(=C1)C#N)OC,"InChI=1S/C9H9NO2/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-5H,1-2H3",NVTHWSJNXVDIKR-UHFFFAOYSA-N,C9H9NO2,163.17,163.0633285,1.6,42.3,172,0,0,3,2,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenethylamine, beta,beta-dimethyl-, hydrochloride",21404-94-4,210601,2-methyl-2-phenylpropan-1-amine;hydrochloride,CC(C)(CN)C1=CC=CC=C1.Cl,"InChI=1S/C10H15N.ClH/c1-10(2,8-11)9-6-4-3-5-7-9;/h3-7H,8,11H2,1-2H3;1H",RORCPASRNRYEDG-UHFFFAOYSA-N,C10H16ClN,185.69,185.0971272,,26,112,0,2,1,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, (o-carbamoylphenoxy)-",25395-22-6,93086,2-(2-carbamoylphenoxy)acetic acid,C1=CC=C(C(=C1)C(=O)N)OCC(=O)O,"InChI=1S/C9H9NO4/c10-9(13)6-3-1-2-4-7(6)14-5-8(11)12/h1-4H,5H2,(H2,10,13)(H,11,12)",RLISWLLILOTWGG-UHFFFAOYSA-N,C9H9NO4,195.17,195.0531578,0.4,89.6,229,0,2,4,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 5-((1R)-1,5-dimethyl-4-hexenyl)-2-methyl-",30199-26-9,93135,2-methyl-5-[(2R)-6-methylhept-5-en-2-yl]phenol,CC1=C(C=C(C=C1)[C@H](C)CCC=C(C)C)O,"InChI=1S/C15H22O/c1-11(2)6-5-7-12(3)14-9-8-13(4)15(16)10-14/h6,8-10,12,16H,5,7H2,1-4H3/t12-/m1/s1",FKWGCEDRLNNZOZ-GFCCVEGCSA-N,C15H22O,218.33,218.1670653,5.1,20.2,228,0,1,1,4,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"Propylamine, N-methyl-3-phenyl-, hydrochloride",30684-07-2,9549628,N-methyl-3-phenylpropan-1-amine;hydrochloride,CNCCCC1=CC=CC=C1.Cl,"InChI=1S/C10H15N.ClH/c1-11-9-5-8-10-6-3-2-4-7-10;/h2-4,6-7,11H,5,8-9H2,1H3;1H",XKHCUFJKGWJLNO-UHFFFAOYSA-N,C10H16ClN,185.69,185.0971272,,12,84,0,2,1,4,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenemethanol, alpha-ethenyl-3,4-dimethoxy-",31706-95-3,198104,"1-(3,4-dimethoxyphenyl)prop-2-en-1-ol",COC1=C(C=C(C=C1)C(C=C)O)OC,"InChI=1S/C11H14O3/c1-4-9(12)8-5-6-10(13-2)11(7-8)14-3/h4-7,9,12H,1H2,2-3H3",DFQDENBMPURIHD-UHFFFAOYSA-N,C11H14O3,194.23,194.0942943,1.5,38.7,181,0,1,3,4,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2',6'-Acetoxylidide, 2-(ethylmethylamino)-, monohydrochloride",50295-20-0,46781380,"N-(2,6-dimethylphenyl)-2-[ethyl(methyl)amino]acetamide;hydrochloride",CCN(C)CC(=O)NC1=C(C=CC=C1C)C.Cl,"InChI=1S/C13H20N2O.ClH/c1-5-15(4)9-12(16)14-13-10(2)7-6-8-11(13)3;/h6-8H,5,9H2,1-4H3,(H,14,16);1H",APBBVJVUJAPCDX-UHFFFAOYSA-N,C13H21ClN2O,256.77,256.134241,,32.3,220,0,2,2,4,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 4-(1-ethyl-1-methylhexyl)-",52427-13-1,12221416,4-(3-methyloctan-3-yl)phenol,CCCCCC(C)(CC)C1=CC=C(C=C1)O,"InChI=1S/C15H24O/c1-4-6-7-12-15(3,5-2)13-8-10-14(16)11-9-13/h8-11,16H,4-7,12H2,1-3H3",QQKQQJZGUCFUPP-UHFFFAOYSA-N,C15H24O,220.35,220.1827154,5.9,20.2,182,0,1,1,6,16,,,1,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0,0
"Benzenepentanenitrile, beta-methyl-",54089-83-7,103875,3-methyl-5-phenylpentanenitrile,CC(CCC1=CC=CC=C1)CC#N,"InChI=1S/C12H15N/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,11H,7-9H2,1H3",UIHGITHJVWASPE-UHFFFAOYSA-N,C12H15N,173.25,173.1204495,3.2,23.8,171,0,0,1,4,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenamine, 4-chloro-2-fluoro-",57946-56-2,93898,4-chloro-2-fluoroaniline,C1=CC(=C(C=C1Cl)F)N,"InChI=1S/C6H5ClFN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2",CSFDTBRRIBJILD-UHFFFAOYSA-N,C6H5ClFN,145.56,145.009455,2.1,26,99,0,1,2,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"Benzene, chloro(chlorodifluoromethyl)-",62927-58-6,173883,1-chloro-2-[chloro(difluoro)methyl]benzene,C1=CC=C(C(=C1)C(F)(F)Cl)Cl,"InChI=1S/C7H4Cl2F2/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H",FCGQDPUGIJTUNJ-UHFFFAOYSA-N,C7H4Cl2F2,197.01,195.9658118,3.8,0,138,0,0,2,1,11,,,0,0,1,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, 4-amino-N-(2-(diethylamino)ethyl)-, hydrogen sulfate",63887-34-3,44721376,4-amino-N-[2-(diethylamino)ethyl]benzamide;sulfuric acid,CCN(CC)CCNC(=O)C1=CC=C(C=C1)N.OS(=O)(=O)O,"InChI=1S/C13H21N3O.H2O4S/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11;1-5(2,3)4/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17);(H2,1,2,3,4)",YPKXIQOEOPDWBK-UHFFFAOYSA-N,C13H23N3O5S,333.41,333.135842,,141,302,0,4,7,6,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzeneethanol, 2,5-diamino-, sulfate (1:1)",93841-25-9,44558315,"2-(2,5-diaminophenyl)ethanol;sulfuric acid",C1=CC(=C(C=C1N)CCO)N.OS(=O)(=O)O,"InChI=1S/C8H12N2O.H2O4S/c9-7-1-2-8(10)6(5-7)3-4-11;1-5(2,3)4/h1-2,5,11H,3-4,9-10H2;(H2,1,2,3,4)",VBSLNFWECRRALP-UHFFFAOYSA-N,C8H14N2O5S,250.27,250.0623427,,155,200,0,5,7,2,16,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0
"1,2-Propanediol, 3,3'-((2-chloro-5-nitro-1,4-phenylene)diimino)bis-",95576-92-4,22320962,"3-[2-chloro-4-(2,3-dihydroxypropylamino)-5-nitroanilino]propane-1,2-diol",C1=C(C(=CC(=C1[N+](=O)[O-])NCC(CO)O)Cl)NCC(CO)O,"InChI=1S/C12H18ClN3O6/c13-9-1-11(15-4-8(20)6-18)12(16(21)22)2-10(9)14-3-7(19)5-17/h1-2,7-8,14-15,17-20H,3-6H2",IJBOVPNSQXXDJB-UHFFFAOYSA-N,C12H18ClN3O6,335.74,335.088413,0.8,151,345,0,6,8,8,22,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Octanoic acid, 8-((2-hydroxybenzoyl)amino)-, monosodium salt",203787-91-1,23669833,sodium 8-[(2-hydroxybenzoyl)amino]octanoate,C1=CC=C(C(=C1)C(=O)NCCCCCCCC(=O)[O-])O.[Na+],"InChI=1S/C15H21NO4.Na/c17-13-9-6-5-8-12(13)15(20)16-11-7-3-1-2-4-10-14(18)19;/h5-6,8-9,17H,1-4,7,10-11H2,(H,16,20)(H,18,19);/q;+1/p-1",UOENJXXSKABLJL-UHFFFAOYSA-M,C15H20NNaO4,301.31,301.1290024,,89.5,312,0,2,4,9,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"1-Propanone, 2-((1,1-dimethylethyl)amino)-1-(4-chlorophenyl)-, hydrochloride",,3031065,2-(tert-butylamino)-1-(4-chlorophenyl)propan-1-one;hydrochloride,CC(C(=O)C1=CC=C(C=C1)Cl)NC(C)(C)C.Cl,"InChI=1S/C13H18ClNO.ClH/c1-9(15-13(2,3)4)12(16)10-5-7-11(14)8-6-10;/h5-9,15H,1-4H3;1H",DGJAXLCGRQSHOO-UHFFFAOYSA-N,C13H19Cl2NO,276.2,275.0843696,,29.1,239,0,2,2,4,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
SODIUM DEOXYCHOLATE,000302-95-4,23668196,"sodium (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]pentanoate",C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.[Na+],"InChI=1S/C24H40O4.Na/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3;/h14-21,25-26H,4-13H2,1-3H3,(H,27,28);/q;+1/p-1/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-;/m1./s1",FHHPUSMSKHSNKW-SMOYURAASA-M,C24H39NaO4,414.6,414.274604,,80.6,612,0,2,4,4,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"17ALPHA-METHYL-3BETA, 17BETA-DIHYDROXY-5ALPHA-ANDROSTANE",000641-83-8,101819,"(3S,5S,8R,9S,10S,13S,14S,17S)-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol",C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C)O,"InChI=1S/C20H34O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h13-17,21-22H,4-12H2,1-3H3/t13-,14-,15+,16-,17-,18-,19-,20-/m0/s1",QGKQXZFZOIQFBI-UYEYMFBJSA-N,C20H34O2,306.5,306.2558803,4.3,40.5,463,0,2,2,0,22,,,0,1,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"N,N-BIS(3-(D-GLUCONAMIDO)PROPYL)CHOLAMIDE",86303-22-2,9919170,"(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-[3-[3-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]propyl-[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,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]pentanoyl]amino]propyl]hexanamide",C[C@H](CCC(=O)N(CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,"InChI=1S/C42H75N3O16/c1-21(24-7-8-25-32-26(18-30(52)42(24,25)3)41(2)11-10-23(48)16-22(41)17-27(32)49)6-9-31(53)45(14-4-12-43-39(60)37(58)35(56)33(54)28(50)19-46)15-5-13-44-40(61)38(59)36(57)34(55)29(51)20-47/h21-30,32-38,46-52,54-59H,4-20H2,1-3H3,(H,43,60)(H,44,61)/t21-,22+,23-,24-,25+,26+,27-,28-,29-,30+,32+,33-,34-,35+,36+,37-,38-,41+,42-/m1/s1",ZWEVPYNPHSPIFU-AUGHYPCGSA-N,C42H75N3O16,878.1,877.5147333,-3.5,342,1380,0,15,16,22,61,,,0,1,1,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
CHAPSO,082473-24-3,122145,"3-[dimethyl-[3-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,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]pentanoyl]amino]propyl]azaniumyl]-2-hydroxypropane-1-sulfonate",C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)[O-])O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,"InChI=1S/C32H58N2O8S/c1-20(7-10-29(39)33-13-6-14-34(4,5)18-23(36)19-43(40,41)42)24-8-9-25-30-26(17-28(38)32(24,25)3)31(2)12-11-22(35)15-21(31)16-27(30)37/h20-28,30,35-38H,6-19H2,1-5H3,(H-,33,39,40,41,42)/t20-,21+,22-,23?,24-,25+,26+,27-,28+,30+,31+,32-/m1/s1",GUQQBLRVXOUDTN-XOHPMCGNSA-N,C32H58N2O8S,630.9,630.391388,1.9,176,1070,0,5,8,11,43,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM CHOLATE HYDRATE,206986-87-0,23679061,"sodium;(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,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]pentanoate;hydrate",C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C.O.[Na+],"InChI=1S/C24H40O5.Na.H2O/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;;/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29);;1H2/q;+1;/p-1/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-;;/m1../s1",MUVVIYFKOVLQHL-RCVKHMDESA-M,C24H41NaO6,448.6,448.2800833,,102,643,0,4,6,4,31,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-beta-Cholan-24-oic acid, 3-alpha,6-alpha-dihydroxy-",83-49-8,5283820,"(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-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]pentanoic acid",C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,"InChI=1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20+,21+,23-,24-/m1/s1",DGABKXLVXPYZII-SIBKNCMHSA-N,C24H40O4,392.6,392.2926598,4.9,77.8,605,0,3,4,4,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Glycine, N-((3-alpha,5-beta)-3-hydroxy-24-oxocholan-24-yl)-",474-74-8,115245,"2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-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]pentanoyl]amino]acetic acid",C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C,"InChI=1S/C26H43NO4/c1-16(4-9-23(29)27-15-24(30)31)20-7-8-21-19-6-5-17-14-18(28)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22,28H,4-15H2,1-3H3,(H,27,29)(H,30,31)/t16-,17-,18-,19+,20-,21+,22+,25+,26-/m1/s1",XBSQTYHEGZTYJE-OETIFKLTSA-N,C26H43NO4,433.6,433.3192089,5.6,86.6,695,0,3,4,6,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Dammar-24-ene-3,12,20-triol, (3-beta,12-beta,20R)-",1/3/55,9920281,"(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2R)-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-3,12-diol",CC(=CCC[C@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)O)C)O)C,"InChI=1S/C30H52O3/c1-19(2)10-9-14-30(8,33)20-11-16-29(7)25(20)21(31)18-23-27(5)15-13-24(32)26(3,4)22(27)12-17-28(23,29)6/h10,20-25,31-33H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24-,25-,27-,28+,29+,30+/m0/s1",PYXFVCFISTUSOO-VUFVRDRTSA-N,C30H52O3,460.7,460.3916455,7.2,60.7,783,0,3,3,4,33,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-NAPHTHALENECARBOXYLIC ACID, 4-[[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]AZO]-3-HY",052238-94-5,100655,4-[[2-chloro-5-(trifluoromethyl)phenyl]diazenyl]-3-hydroxynaphthalene-2-carboxylic acid,C1=CC=C2C(=C1)C=C(C(=C2N=NC3=C(C=CC(=C3)C(F)(F)F)Cl)O)C(=O)O,"InChI=1S/C18H10ClF3N2O3/c19-13-6-5-10(18(20,21)22)8-14(13)23-24-15-11-4-2-1-3-9(11)7-12(16(15)25)17(26)27/h1-8,25H,(H,26,27)",LFUPHTJXWMRCJO-UHFFFAOYSA-N,C18H10ClF3N2O3,394.7,394.0332044,6.2,82.3,575,0,2,8,3,27,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-NAPHTHALENESULFONIC ACID, 5-[[4-[(2-BROMO-1-OXO-2-PROPENYL)AMINO]-2-SULFOPHE",070210-39-8,153111,disodium;5-[[4-(2-bromoprop-2-enoylamino)-2-sulfonatophenyl]diazenyl]-4-hydroxy-6-(methylamino)naphthalene-2-sulfonate,CNC1=C(C2=C(C=C(C=C2C=C1)S(=O)(=O)[O-])O)N=NC3=C(C=C(C=C3)NC(=O)C(=C)Br)S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C20H17BrN4O8S2.2Na/c1-10(21)20(27)23-12-4-6-14(17(8-12)35(31,32)33)24-25-19-15(22-2)5-3-11-7-13(34(28,29)30)9-16(26)18(11)19;;/h3-9,22,26H,1H2,2H3,(H,23,27)(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2",HNPZBDFFHBHBFR-UHFFFAOYSA-L,C20H15BrN4Na2O8S2,629.4,627.93101,,217,1020,0,3,11,5,37,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,0
"4-(2-(1-naphthalenyl)diazenyl)-1,3-Benzenediamine",006416-57-5,62608,"4-(naphthalen-1-yldiazenyl)benzene-1,3-diamine",C1=CC=C2C(=C1)C=CC=C2N=NC3=C(C=C(C=C3)N)N,"InChI=1S/C16H14N4/c17-12-8-9-16(14(18)10-12)20-19-15-7-3-5-11-4-1-2-6-13(11)15/h1-10H,17-18H2",AHWMWMNEYBHQNL-UHFFFAOYSA-N,C16H14N4,262.31,262.1218465,3.6,76.8,343,0,2,4,2,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SUDAN I,000842-07-9,13297,1-phenyldiazenylnaphthalen-2-ol,C1=CC=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)O,"InChI=1S/C16H12N2O/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13/h1-11,19H",MRQIXHXHHPWVIL-UHFFFAOYSA-N,C16H12N2O,248.28,248.094963,4.1,45,312,0,1,3,2,19,,"greater than 212 °F at 760 mmHg (sublimes) (NTP, 1992)",0,0,0,0,0,1,1,0,0,0,1,0,0,0,0,0,0,1,0,0
"2-NAPHTHALENOL, 1-[(2-NITROPHENYL)AZO]-",006410-09-9,80852,1-[(2-nitrophenyl)diazenyl]naphthalen-2-ol,C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=CC=C3[N+](=O)[O-])O,"InChI=1S/C16H11N3O3/c20-15-10-9-11-5-1-2-6-12(11)16(15)18-17-13-7-3-4-8-14(13)19(21)22/h1-10,20H",YTVNZOABECTEPK-UHFFFAOYSA-N,C16H11N3O3,293.28,293.0800412,4.4,90.8,423,0,1,5,2,22,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-NAPHTHALENAMINIUM, 7-HYDROXY-8-[(2-METHOXYPHENYL)AZO]-N,N,N-TRIMETHYL-, CHLO",068391-30-0,110099,[7-hydroxy-8-[(2-methoxyphenyl)diazenyl]naphthalen-2-yl]-trimethylazanium chloride,C[N+](C)(C)C1=CC2=C(C=C1)C=CC(=C2N=NC3=CC=CC=C3OC)O.[Cl-],"InChI=1S/C20H21N3O2.ClH/c1-23(2,3)15-11-9-14-10-12-18(24)20(16(14)13-15)22-21-17-7-5-6-8-19(17)25-4;/h5-13H,1-4H3;1H",HSWXSHNPRUMJKI-UHFFFAOYSA-N,C20H22ClN3O2,371.9,371.1400546,,54.2,462,0,1,5,4,26,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Naphthylamine, 1-(o-tolylazo)-",131-79-3,8578,1-[(2-methylphenyl)diazenyl]naphthalen-2-amine,CC1=CC=CC=C1N=NC2=C(C=CC3=CC=CC=C32)N,"InChI=1S/C17H15N3/c1-12-6-2-5-9-16(12)19-20-17-14-8-4-3-7-13(14)10-11-15(17)18/h2-11H,18H2,1H3",BWLVSYUUKOQICP-UHFFFAOYSA-N,C17H15N3,261.32,261.1265975,4.6,50.7,341,0,1,3,2,20,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ANTHRACENE-9-CARBOXYLIC ACID,000723-62-6,2201,anthracene-9-carboxylic acid,C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(=O)O,"InChI=1S/C15H10O2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,(H,16,17)",XGWFJBFNAQHLEF-UHFFFAOYSA-N,C15H10O2,222.24,222.0680796,3.8,37.3,277,0,1,2,1,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9,10-BIS(CHLOROMETHYL)ANTHRACENE",010387-13-0,25219,"9,10-bis(chloromethyl)anthracene",C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2CCl)CCl,"InChI=1S/C16H12Cl2/c17-9-15-11-5-1-2-6-12(11)16(10-18)14-8-4-3-7-13(14)15/h1-8H,9-10H2",UOSROERWQJTVNU-UHFFFAOYSA-N,C16H12Cl2,275.2,274.0316058,5.7,0,226,0,0,0,2,18,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
1-AMINOANTHRACENE,000610-49-1,11885,anthracen-1-amine,C1=CC=C2C=C3C(=CC2=C1)C=CC=C3N,"InChI=1S/C14H11N/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9H,15H2",YUENFNPLGJCNRB-UHFFFAOYSA-N,C14H11N,193.24,193.0891494,3.7,26,225,0,1,1,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ANTHRACENE-D10,001719-06-8,80291,"1,2,3,4,5,6,7,8,9,10-decadeuterioanthracene",[2H]C1=C(C(=C2C(=C3C(=C(C(=C(C3=C(C2=C1[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H],"InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D",MWPLVEDNUUSJAV-LHNTUAQVSA-N,C14H10,188.29,188.1410178,4.4,0,154,0,0,0,0,14,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
CYCLOHEXANONE,000108-94-1,7967,cyclohexanone,C1CCC(=O)CC1,InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2,JHIVVAPYMSGYDF-UHFFFAOYSA-N,C6H10O,98.14,98.07316494,0.8,17.1,68,0,0,1,0,7,"111 °F (NTP, 1992)","312.1 °F at 760 mmHg (NTP, 1992)",0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
O-METHYLCYCLOHEXANONE,000583-60-8,11419,2-methylcyclohexan-1-one,CC1CCCCC1=O,"InChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3",LFSAPCRASZRSKS-UHFFFAOYSA-N,C7H12O,112.17,112.088815,1.5,17.1,96,0,0,1,0,8,"118 °F (USCG, 1999)","329 °F at 760 mmHg (USCG, 1999)",0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
4-ETHYLCYCLOHEXANONE,005441-51-0,79506,4-ethylcyclohexan-1-one,CCC1CCC(=O)CC1,"InChI=1S/C8H14O/c1-2-7-3-5-8(9)6-4-7/h7H,2-6H2,1H3",OKSDJGWHKXFVME-UHFFFAOYSA-N,C8H14O,126.2,126.1044651,1.9,17.1,97,0,0,1,1,9,,,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,1,0,1
"CYCLOHEXANONE, 2-HYDROXY-",000533-60-8,10785,2-hydroxycyclohexan-1-one,C1CCC(=O)C(C1)O,"InChI=1S/C6H10O2/c7-5-3-1-2-4-6(5)8/h5,7H,1-4H2",ODZTXUXIYGJLMC-UHFFFAOYSA-N,C6H10O2,114.14,114.0680796,0.2,37.3,98,0,1,2,0,8,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
"4,4-DIFLUOROCYCLOHEXANONE",022515-18-0,15789092,"4,4-difluorocyclohexan-1-one",C1CC(CCC1=O)(F)F,InChI=1S/C6H8F2O/c7-6(8)3-1-5(9)2-4-6/h1-4H2,NYYSPVRERVXMLJ-UHFFFAOYSA-N,C6H8F2O,134.12,134.0543212,1.1,17.1,119,0,0,3,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CYCLOHEXANONE, 5-METHYL-2-(1-METHYLETHYL)-, TRANS-(.+-.)-",001074-95-9,6432469,"cis-(2S,5S)-5-methyl-2-propan-2-ylcyclohexan-1-one",C[C@H]1CC[C@H](C(=O)C1)C(C)C,"InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9-/m0/s1",NFLGAXVYCFJBMK-IUCAKERBSA-N,C10H18O,154.25,154.1357652,2.7,17.1,149,0,0,1,1,11,,205.00 to 208.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"CYCLOHEXANONE, 3,3-DIMETHYL-",002979-19-3,76322,"3,3-dimethylcyclohexan-1-one",CC1(CCCC(=O)C1)C,"InChI=1S/C8H14O/c1-8(2)5-3-4-7(9)6-8/h3-6H2,1-2H3",ZVJQBBYAVPAFLX-UHFFFAOYSA-N,C8H14O,126.2,126.1044651,1.8,17.1,125,0,0,1,0,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
DL-PYROGLUTAMIC ACID,000149-87-1,499,5-oxopyrrolidine-2-carboxylic acid,C1CC(=O)NC1C(=O)O,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)",ODHCTXKNWHHXJC-UHFFFAOYSA-N,C5H7NO3,129.11,129.0425931,-0.8,66.4,154,0,2,3,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BRIVARACETAM,357336-20-0,9837243,(2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanamide,CCC[C@@H]1CC(=O)N(C1)[C@@H](CC)C(=O)N,"InChI=1S/C11H20N2O2/c1-3-5-8-6-10(14)13(7-8)9(4-2)11(12)15/h8-9H,3-7H2,1-2H3,(H2,12,15)/t8-,9+/m1/s1",MSYKRHVOOPPJKU-BDAKNGLRSA-N,C11H20N2O2,212.29,212.1524779,1,63.4,253,0,1,2,5,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"3-Pyrrolidinecarboxylic acid, 1-methyl-5-oxo-, methyl ester",59857-86-2,108402,methyl 1-methyl-5-oxopyrrolidine-3-carboxylate,CN1CC(CC1=O)C(=O)OC,"InChI=1S/C7H11NO3/c1-8-4-5(3-6(8)9)7(10)11-2/h5H,3-4H2,1-2H3",JFZRRXGXEHUJCI-UHFFFAOYSA-N,C7H11NO3,157.17,157.0738932,-0.7,46.6,190,0,0,3,2,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Pyrrolidinone, 4-hydroxy-, (+-)-",62624-29-7,152807,4-hydroxypyrrolidin-2-one,C1C(CNC1=O)O,"InChI=1S/C4H7NO2/c6-3-1-4(7)5-2-3/h3,6H,1-2H2,(H,5,7)",IOGISYQVOGVIEU-UHFFFAOYSA-N,C4H7NO2,101.1,101.0476785,-1.4,49.3,91,0,2,2,0,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Pyrrolidineacetamide, N-(2-(bis(1-methylethyl)amino)ethyl)-2-oxo-",68497-62-1,51712,N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide,CC(C)N(CCNC(=O)CN1CCCC1=O)C(C)C,"InChI=1S/C14H27N3O2/c1-11(2)17(12(3)4)9-7-15-13(18)10-16-8-5-6-14(16)19/h11-12H,5-10H2,1-4H3,(H,15,18)",ZULJGOSFKWFVRX-UHFFFAOYSA-N,C14H27N3O2,269.38,269.2103271,0.8,52.7,308,0,1,3,7,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Pyrrolidinone, 3-amino-1-hydroxy-",1003-51-6,1232,3-amino-1-hydroxypyrrolidin-2-one,C1CN(C(=O)C1N)O,"InChI=1S/C4H8N2O2/c5-3-1-2-6(8)4(3)7/h3,8H,1-2,5H2",HCKUBNLZMKAEIN-UHFFFAOYSA-N,C4H8N2O2,116.12,116.0585775,-1.5,66.6,115,0,2,3,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-AMINO-5,6,7,8-TETRAHYDRO-2-NAPHTHOL",028094-04-4,4361367,"3-amino-5,6,7,8-tetrahydronaphthalen-2-ol",C1CCC2=CC(=C(C=C2C1)N)O,"InChI=1S/C10H13NO/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h5-6,12H,1-4,11H2",PYACPVPEDYPRRB-UHFFFAOYSA-N,C10H13NO,163.22,163.099714,2.3,46.3,160,0,2,2,0,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,3-Naphthalenediol, 5-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-1,2,3,4",042200-33-9,39147,"(2R,3S)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol",CC(C)(C)NCC(COC1=CC=CC2=C1C[C@@H]([C@@H](C2)O)O)O,"InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12?,14-,15+/m1/s1",VWPOSFSPZNDTMJ-UCWKZMIHSA-N,C17H27NO4,309.4,309.1940083,0.7,82,344,0,4,5,6,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"NAPHTHALENE, 1,2,3,4-TETRAHYDRO-1,1,2,4,4,7-HEXAMETHYL-",002084-69-7,102750,"1,1,2,4,4,7-hexamethyl-2,3-dihydronaphthalene",CC1CC(C2=C(C1(C)C)C=C(C=C2)C)(C)C,"InChI=1S/C16H24/c1-11-7-8-13-14(9-11)16(5,6)12(2)10-15(13,3)4/h7-9,12H,10H2,1-6H3",JIVANURAWUCQIG-UHFFFAOYSA-N,C16H24,216.36,216.1878008,5.7,0,261,0,0,0,0,16,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Naphthylamine, 1,2,3,4-tetrahydro-8-chloro-5-methoxy-N-methyl-, hydrochloride, (R)-",30074-74-9,34792,"(8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-methylazanium chloride",C[NH2+]C1CCCC2=C(C=CC(=C12)Cl)OC.[Cl-],"InChI=1S/C12H16ClNO.ClH/c1-14-10-5-3-4-8-11(15-2)7-6-9(13)12(8)10;/h6-7,10,14H,3-5H2,1-2H3;1H",PAJIFHNCQNJSEG-UHFFFAOYSA-N,C12H17Cl2NO,262.17,261.0687196,,25.8,212,0,1,2,2,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Naphthylamine, 1,2,3,4-tetrahydro-6-methyl-, hydrochloride",33448-19-0,36485,"(6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)azanium chloride",CC1=CC2=C(CC(CC2)[NH3+])C=C1.[Cl-],"InChI=1S/C11H15N.ClH/c1-8-2-3-10-7-11(12)5-4-9(10)6-8;/h2-3,6,11H,4-5,7,12H2,1H3;1H",FHGHZRCNWIZZJC-UHFFFAOYSA-N,C11H16ClN,197.7,197.0971272,,27.6,155,0,1,1,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"NAPHTHALENE, 1,2,3,4-TETRAHYDRO-6-METHOXY-",001730-48-9,74414,"6-methoxy-1,2,3,4-tetrahydronaphthalene",COC1=CC2=C(CCCC2)C=C1,"InChI=1S/C11H14O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h6-8H,2-5H2,1H3",SUFDFKRJYKNTFH-UHFFFAOYSA-N,C11H14O,162.23,162.1044651,3.3,9.2,144,0,0,1,1,12,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"NAPHTHALENE, 1,2,3,4-TETRAHYDRO-1,1,6-TRIMETHYL-",000475-03-6,68057,"4,4,7-trimethyl-2,3-dihydro-1H-naphthalene",CC1=CC2=C(C=C1)C(CCC2)(C)C,"InChI=1S/C13H18/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h6-7,9H,4-5,8H2,1-3H3",LTMQZVLXCLQPCT-UHFFFAOYSA-N,C13H18,174.28,174.1408506,4.5,0,180,0,0,0,0,13,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Thiourea, (1,2,3,4-tetrahydro-2-hydroxy-1-naphthalenyl)-, trans-",141034-13-1,15134414,"[(1R,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea",C1CC2=CC=CC=C2[C@H]([C@@H]1O)NC(=S)N,"InChI=1S/C11H14N2OS/c12-11(15)13-10-8-4-2-1-3-7(8)5-6-9(10)14/h1-4,9-10,14H,5-6H2,(H3,12,13,15)/t9-,10-/m1/s1",RJYUQSSRJOZYRV-NXEZZACHSA-N,C11H14N2OS,222.31,222.0826843,0.9,90.4,247,0,3,2,1,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
L-BORNEOL,000464-45-9,1201518,"(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol",C[C@]12CC[C@H](C1(C)C)C[C@H]2O,"InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m0/s1",DTGKSKDOIYIVQL-QXFUBDJGSA-N,C10H18O,154.25,154.1357652,2.7,20.2,185,0,1,1,0,11,,210.00 to 212.00 °C. @ 779.00 mm Hg,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,1,0,0
"BICYCLO[2.2.1]HEPTAN-2-OL, 1,7,7-TRIMETHYL-, EXO-",000124-76-5,6321405,"(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol",C[C@@]12CC[C@@H](C1(C)C)C[C@H]2O,"InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8-,10+/m1/s1",DTGKSKDOIYIVQL-MRTMQBJTSA-N,C10H18O,154.25,154.1357652,2.7,20.2,185,0,1,1,0,11,,Sublimes,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0
"ETHANONE, 1-(3,3-DIMETHYLBICYCLO[2.2.1]HEPT-2-YL)-",042370-07-0,162512,"1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanone",CC(=O)C1C2CCC(C2)C1(C)C,"InChI=1S/C11H18O/c1-7(12)10-8-4-5-9(6-8)11(10,2)3/h8-10H,4-6H2,1-3H3",NGTMQRCBACIUES-UHFFFAOYSA-N,C11H18O,166.26,166.1357652,2.8,17.1,217,0,0,1,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BICYCLO[2.2.1]HEPTAN-2-OL, 1,3,3-TRIMETHYL-, (1S-ENDO)-",000512-13-0,439711,"(1S,2S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol",C[C@]12CC[C@H](C1)C([C@H]2O)(C)C,"InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3/t7-,8-,10+/m1/s1",IAIHUHQCLTYTSF-MRTMQBJTSA-N,C10H18O,154.25,154.1357652,2.5,20.2,185,0,1,1,0,11,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
2-Norbornanecarbonitrile,2234-26-6,102231,bicyclo[2.2.1]heptane-2-carbonitrile,C1CC2CC1CC2C#N,"InChI=1S/C8H11N/c9-5-8-4-6-1-2-7(8)3-6/h6-8H,1-4H2",GAHKEUUHTHVKEA-UHFFFAOYSA-N,C8H11N,121.18,121.0891494,2,23.8,165,0,0,1,0,9,,,0,1,1,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
ADENINE HYDROCHLORIDE,006055-72-7,24211900,7H-purin-6-amine;hydrate;hydrochloride,C1=NC2=NC=NC(=C2N1)N.O.Cl,"InChI=1S/C5H5N5.ClH.H2O/c6-4-3-5(9-1-7-3)10-2-8-4;;/h1-2H,(H3,6,7,8,9,10);1H;1H2",MYRDTAUFFBYTHA-UHFFFAOYSA-N,C5H8ClN5O,189.6,189.0417376,,81.5,127,0,4,5,0,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-AMINO-6-(METHYLTHIO)PURINE,001198-47-6,70976,6-methylsulfanyl-7H-purin-2-amine,CSC1=NC(=NC2=C1NC=N2)N,"InChI=1S/C6H7N5S/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11)",YEGKYFQLKYGHAR-UHFFFAOYSA-N,C6H7N5S,181.22,181.0422164,0.3,106,166,0,2,5,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-CHLOROPHENOTHIAZINE,000092-39-7,7088,2-chloro-10H-phenothiazine,C1=CC=C2C(=C1)NC3=C(S2)C=CC(=C3)Cl,"InChI=1S/C12H8ClNS/c13-8-5-6-12-10(7-8)14-9-3-1-2-4-11(9)15-12/h1-7,14H",KFZGLJSYQXZIGP-UHFFFAOYSA-N,C12H8ClNS,233.72,233.0065981,4.8,37.3,236,0,1,2,0,15,,,0,0,0,0,0,0,1,1,0,0,1,0,0,0,0,0,1,1,0,1
"Ketone, 10-(3-(dimethylamino)propyl)phenothiazin-2-yl methyl",61-00-7,6077,1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanone,CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN(C)C,"InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3",NOSIYYJFMPDDSA-UHFFFAOYSA-N,C19H22N2OS,326.5,326.1452845,4.2,48.9,414,0,0,4,5,23,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Phenothiazine, 10-(2-(diethylamino)propyl)-, monohydrochloride",1094-08-2,122824,"N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine;hydrochloride",CCN(CC)C(C)CN1C2=CC=CC=C2SC3=CC=CC=C31.Cl,"InChI=1S/C19H24N2S.ClH/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21;/h6-13,15H,4-5,14H2,1-3H3;1H",VXPCQISYVPFYRK-UHFFFAOYSA-N,C19H25ClN2S,348.9,348.1426977,,31.8,322,0,1,3,5,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenothiazine-2-carbonitrile, 10-(3-(dimethylamino)-2-methylpropyl)-",3546-03-0,62865,10-[3-(dimethylamino)-2-methylpropyl]phenothiazine-2-carbonitrile,CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)C#N)CN(C)C,"InChI=1S/C19H21N3S/c1-14(12-21(2)3)13-22-16-6-4-5-7-18(16)23-19-9-8-15(11-20)10-17(19)22/h4-10,14H,12-13H2,1-3H3",SLFGIOIONGJGRT-UHFFFAOYSA-N,C19H21N3S,323.5,323.1456189,4.4,55.6,443,0,0,4,4,23,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ketone, 10-(3-(dimethylamino)propyl)phenothiazin-2-yl methyl, maleate (1:1)",3598-37-6,6420038,(Z)-but-2-enedioic acid;1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanone,CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN(C)C.C(=C\C(=O)O)\C(=O)O,"InChI=1S/C19H22N2OS.C4H4O4/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19;5-3(6)1-2-4(7)8/h4-5,7-10,13H,6,11-12H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-",FQRHOOHLUYHMGG-BTJKTKAUSA-N,C23H26N2O5S,442.5,442.1562431,,123,533,0,2,8,7,31,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"10H-Phenothiazine-10-propanamine, 2-methoxy-N,N,beta-trimethyl-, (2Z)-2-butenedioate, (R)-",7104-38-3,5282484,"(Z)-but-2-enedioic acid;(2R)-3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine",C[C@@H](CN1C2=CC=CC=C2SC3=C1C=C(C=C3)OC)CN(C)C.C(=C\C(=O)O)\C(=O)O,"InChI=1S/C19H24N2OS.C4H4O4/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21;5-3(6)1-2-4(7)8/h5-11,14H,12-13H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-;/m1./s1",IFLZPECPTYCEBR-VIEYUMQNSA-N,C23H28N2O5S,444.5,444.1718932,,116,497,0,2,8,7,31,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"ETHANONE, 1-(1H-PYRROL-2-YL)-",001072-83-9,14079,1-(1H-pyrrol-2-yl)ethanone,CC(=O)C1=CC=CN1,"InChI=1S/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H3",IGJQUJNPMOYEJY-UHFFFAOYSA-N,C6H7NO,109.13,109.0527638,0.9,32.9,101,0,1,1,1,8,,220.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1H-Pyrrole-2-carboxaldehyde, 1-methyl-",1192-58-1,14504,1-methylpyrrole-2-carbaldehyde,CN1C=CC=C1C=O,"InChI=1S/C6H7NO/c1-7-4-2-3-6(7)5-8/h2-5H,1H3",OUKQTRFCDKSEPL-UHFFFAOYSA-N,C6H7NO,109.13,109.0527638,0.5,22,92,0,0,1,1,8,,87.00 to 90.00 °C. @ 22.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrrole-3-carboxylic acid, 4,5-dihydro-5-hydroxy-2-methyl-4-oxo-5-(2-oxo-2-phenylethyl)-1-(phenylmethyl)-, ethyl ester",172951-74-5,101030,1H-pyrrole-3-carboxylic acid,C1=CNC=C1C(=O)O,"InChI=1S/C5H5NO2/c7-5(8)4-1-2-6-3-4/h1-3,6H,(H,7,8)",DOYOPBSXEIZLRE-UHFFFAOYSA-N,C5H5NO2,111.1,111.0320284,0.2,53.1,103,0,2,2,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Pyrrole-1-propanoic acid, 3-(ethoxycarbonyl)-2-methyl-5-(4-methylphenyl)-",,297621,3-pyrrol-1-ylpropanoic acid,C1=CN(C=C1)CCC(=O)O,"InChI=1S/C7H9NO2/c9-7(10)3-6-8-4-1-2-5-8/h1-2,4-5H,3,6H2,(H,9,10)",RZJWSGHNRLPGHP-UHFFFAOYSA-N,C7H9NO2,139.15,139.0633285,0.1,42.2,119,0,1,2,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
9-AMINOACRIDINE HYDROCHLORIDE,052417-22-8,2723598,acridin-9-amine;hydrate;hydrochloride,C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N.O.Cl,"InChI=1S/C13H10N2.ClH.H2O/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;;/h1-8H,(H2,14,15);1H;1H2",OREJEGKBQBIJSJ-UHFFFAOYSA-N,C13H13ClN2O,248.71,248.0716407,,39.9,207,0,3,3,0,17,,,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
QUINACRINE MUSTARD DIHYDROCHLORIDE,004213-45-0,20193,"1-N,1-N-bis(2-chloroethyl)-4-N-(6-chloro-2-methoxyacridin-9-yl)pentane-1,4-diamine;dihydrochloride",CC(CCCN(CCCl)CCCl)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC.Cl.Cl,"InChI=1S/C23H28Cl3N3O.2ClH/c1-16(4-3-11-29(12-9-24)13-10-25)27-23-19-7-5-17(26)14-22(19)28-21-8-6-18(30-2)15-20(21)23;;/h5-8,14-16H,3-4,9-13H2,1-2H3,(H,27,28);2*1H",JETDZFFCRPFPDH-UHFFFAOYSA-N,C23H30Cl5N3O,541.8,541.080201,,37.4,494,0,3,4,11,32,,,0,0,1,1,0,0,0,0,0,0,0,0,0,1,1,0,0,1,0,0
RIVANOL,001837-57-6,15789,"7-ethoxyacridine-3,9-diamine;2-hydroxypropanoic acid",CCOC1=CC2=C(C3=C(C=C(C=C3)N)N=C2C=C1)N.CC(C(=O)O)O,"InChI=1S/C15H15N3O.C3H6O3/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13;1-2(4)3(5)6/h3-8H,2,16H2,1H3,(H2,17,18);2,4H,1H3,(H,5,6)",IYLLULUTZPKQBW-UHFFFAOYSA-N,C18H21N3O4,343.4,343.1532062,,132,371,0,4,7,3,25,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACRIDINE ORANGE, HYDROCHLORIDE",000065-61-2,517204,"3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine;hydrochloride",CN(C)C1=CC2=C(C=C1)C=C3C=CC(=CC3=N2)N(C)C.Cl,"InChI=1S/C17H19N3.ClH/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14;/h5-11H,1-4H3;1H",VSTHNGLPHBTRMB-UHFFFAOYSA-N,C17H20ClN3,301.8,301.1345753,,19.4,298,0,1,3,2,21,,,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"Acridine, 9-formyl-",885-23-4,98663,acridine-9-carbaldehyde,C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)C=O,InChI=1S/C14H9NO/c16-9-12-10-5-1-3-7-13(10)15-14-8-4-2-6-11(12)14/h1-9H,ISOCABSXIKQOOV-UHFFFAOYSA-N,C14H9NO,207.23,207.0684139,3,30,243,0,0,2,1,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acridine, 6-chloro-9-(3-((2-chloroethyl)amino)propyl)amino-2-methoxy-, dihydrochloride",17070-45-0,54606642,"N-(2-chloroethyl)-N'-(6-chloro-2-methoxyacridin-9-yl)propane-1,3-diamine;hydrochloride",COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCNCCCl.Cl,"InChI=1S/C19H21Cl2N3O.ClH/c1-25-14-4-6-17-16(12-14)19(23-9-2-8-22-10-7-20)15-5-3-13(21)11-18(15)24-17;/h3-6,11-12,22H,2,7-10H2,1H3,(H,23,24);1H",PQVLERLLNMDETJ-UHFFFAOYSA-N,C19H22Cl3N3O,414.8,413.082845,,46.2,401,0,3,4,8,26,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acridine, hydrochloride",17784-47-3,2849400,acridine;hydrochloride,C1=CC=C2C(=C1)C=C3C=CC=CC3=N2.Cl,InChI=1S/C13H9N.ClH/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;/h1-9H;1H,XUESTGHCVFYOLL-UHFFFAOYSA-N,C13H10ClN,215.68,215.050177,,12.9,181,0,1,1,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEPROPANAMINE, .BETA.-PHENYL-",005415-80-5,38619,"2,3-diphenylpropan-1-amine",C1=CC=C(C=C1)CC(CN)C2=CC=CC=C2,"InChI=1S/C15H17N/c16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,15H,11-12,16H2",RHRYWWVGUVEZRJ-UHFFFAOYSA-N,C15H17N,211.3,211.1360995,3,26,178,0,1,1,4,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(1R,2R)-1,2-BIS(2-HYDROXYPHENYL)ETHYLENEDIAMINE",870991-70-1,16218403,"2-[(1R,2R)-1,2-diamino-2-(2-hydroxyphenyl)ethyl]phenol",C1=CC=C(C(=C1)[C@H]([C@@H](C2=CC=CC=C2O)N)N)O,"InChI=1S/C14H16N2O2/c15-13(9-5-1-3-7-11(9)17)14(16)10-6-2-4-8-12(10)18/h1-8,13-14,17-18H,15-16H2/t13-,14-/m1/s1",MRNPLGLZBUDMRE-ZIAGYGMSSA-N,C14H16N2O2,244.29,244.1211778,1.8,92.5,236,0,4,4,3,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzene, 1,1'-(1,2-ethanediyl)bis(4-nitro-",736-30-1,69776,1-nitro-4-[2-(4-nitrophenyl)ethyl]benzene,C1=CC(=CC=C1CCC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C14H12N2O4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h3-10H,1-2H2",BSNKHEKTRWNNAC-UHFFFAOYSA-N,C14H12N2O4,272.26,272.0797069,3.8,91.6,300,0,0,4,3,20,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propionitrile, 2,3-bis(p-hydroxyphenyl)",1428-67-7,102614,"2,3-bis(4-hydroxyphenyl)propanenitrile",C1=CC(=CC=C1CC(C#N)C2=CC=C(C=C2)O)O,"InChI=1S/C15H13NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13,17-18H,9H2",GHZHWDWADLAOIQ-UHFFFAOYSA-N,C15H13NO2,239.27,239.0946287,2.9,64.3,293,0,2,3,3,18,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONAMIDE, 4-AMINO-N-PHENYL-",000127-77-5,31390,4-amino-N-phenylbenzenesulfonamide,C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N,"InChI=1S/C12H12N2O2S/c13-10-6-8-12(9-7-10)17(15,16)14-11-4-2-1-3-5-11/h1-9,14H,13H2",YBUXKQSCKVQATK-UHFFFAOYSA-N,C12H12N2O2S,248.3,248.0619488,1.6,80.6,323,0,2,4,3,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONAMIDE, 4-CHLORO-3-NITRO-N-PHENYL-",000137-49-5,67302,4-chloro-3-nitro-N-phenylbenzenesulfonamide,C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-],"InChI=1S/C12H9ClN2O4S/c13-11-7-6-10(8-12(11)15(16)17)20(18,19)14-9-4-2-1-3-5-9/h1-8,14H",BEEGBBKQFMABPW-UHFFFAOYSA-N,C12H9ClN2O4S,312.73,311.9971556,2.9,100,439,0,1,5,3,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
Benzenesulfonanilide,1678-25-7,74296,N-phenylbenzenesulfonamide,C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2,"InChI=1S/C12H11NO2S/c14-16(15,12-9-5-2-6-10-12)13-11-7-3-1-4-8-11/h1-10,13H",XAUGWFWQVYXATQ-UHFFFAOYSA-N,C12H11NO2S,233.29,233.0510498,2.6,54.6,295,0,1,3,3,16,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
CYCLOBUTANOL,002919-23-5,76218,cyclobutanol,C1CC(C1)O,"InChI=1S/C4H8O/c5-4-2-1-3-4/h4-5H,1-3H2",KTHXBEHDVMTNOH-UHFFFAOYSA-N,C4H8O,72.11,72.05751487,0.5,20.2,30,0,1,1,0,5,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"CYCLOBUTANEMETHANOL, 2,2,3,3-TETRAFLUORO-",000378-17-6,101666,"(2,2,3,3-tetrafluorocyclobutyl)methanol",C1C(C(C1(F)F)(F)F)CO,"InChI=1S/C5H6F4O/c6-4(7)1-3(2-10)5(4,8)9/h3,10H,1-2H2",DIXNZPIYNXRZEQ-UHFFFAOYSA-N,C5H6F4O,158.09,158.0354775,1.3,20.2,145,0,1,5,1,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
CYCLOBUTANECARBOXYLIC ACID,003721-95-7,19494,cyclobutanecarboxylic acid,C1CC(C1)C(=O)O,"InChI=1S/C5H8O2/c6-5(7)4-2-1-3-4/h4H,1-3H2,(H,6,7)",TXWOGHSRPAYOML-UHFFFAOYSA-N,C5H8O2,100.12,100.0524295,0.8,37.3,84,0,1,2,1,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,1-CYCLOBUTANEDICARBOXYLIC ACID, DIETHYL ESTER",003779-29-1,77410,"diethyl cyclobutane-1,1-dicarboxylate",CCOC(=O)C1(CCC1)C(=O)OCC,"InChI=1S/C10H16O4/c1-3-13-8(11)10(6-5-7-10)9(12)14-4-2/h3-7H2,1-2H3",JPNJEJSZSMXWSV-UHFFFAOYSA-N,C10H16O4,200.23,200.104859,1.8,52.6,210,0,0,4,6,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclobutanol, 3-amino-2,2,4,4-tetramethyl-",14241-17-9,203376,"3-amino-2,2,4,4-tetramethylcyclobutan-1-ol",CC1(C(C(C1O)(C)C)N)C,"InChI=1S/C8H17NO/c1-7(2)5(9)8(3,4)6(7)10/h5-6,10H,9H2,1-4H3",ZXDMOZCIYUTLLK-UHFFFAOYSA-N,C8H17NO,143.23,143.1310142,0.9,46.3,135,0,2,2,0,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
BICYCLO(2.2.1)HEPT-5-EN-2-OL,013080-90-5,96066,bicyclo[2.2.1]hept-5-en-2-ol,C1C2CC(C1C=C2)O,"InChI=1S/C7H10O/c8-7-4-5-1-2-6(7)3-5/h1-2,5-8H,3-4H2",MKOSBHNWXFSHSW-UHFFFAOYSA-N,C7H10O,110.15,110.0731649,0.8,20.2,128,0,1,1,0,8,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
NORBORNYLENE,000498-66-8,638051,"(1R,4S)-bicyclo[2.2.1]hept-2-ene",C1C[C@H]2C[C@@H]1C=C2,"InChI=1S/C7H10/c1-2-7-4-3-6(1)5-7/h1-2,6-7H,3-5H2/t6-,7+",JFNLZVQOOSMTJK-KNVOCYPGSA-N,C7H10,94.15,94.07825032,2.4,0,90,0,0,0,0,7,,,0,0,0,0,0,0,1,1,0,1,0,0,0,1,0,0,0,0,0,0
DIBUTYL CHLORONDATE,001770-80-5,221178,"dibutyl 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate",CCCCOC(=O)C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)OCCCC,"InChI=1S/C17H20Cl6O4/c1-3-5-7-26-13(24)9-10(14(25)27-8-6-4-2)16(21)12(19)11(18)15(9,20)17(16,22)23/h9-10H,3-8H2,1-2H3",UJAHPBDUQZFDLA-UHFFFAOYSA-N,C17H20Cl6O4,501,499.946325,5.2,52.6,599,0,0,4,10,27,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-PENTEN-3-OL, 2-METHYL-1-(METHYLBICYCLO[2.2.1]HEPT-5-EN-2-YL)-",067739-11-1,6437247,(E)-2-methyl-1-(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)pent-1-en-3-ol,CCC(/C(=C/C1(CC2CC1C=C2)C)/C)O,"InChI=1S/C14H22O/c1-4-13(15)10(2)8-14(3)9-11-5-6-12(14)7-11/h5-6,8,11-13,15H,4,7,9H2,1-3H3/b10-8+",RZXAQFGBENAOAJ-CSKARUKUSA-N,C14H22O,206.32,206.1670653,3.8,20.2,302,0,1,1,3,15,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"5-NORBORNENE-2-ENDO,3-EXO-DICARBOXYLIC ACID",001200-88-0,12553357,"(1R,2R,3R,4S)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid",C1[C@@H]2C=C[C@H]1[C@H]([C@@H]2C(=O)O)C(=O)O,"InChI=1S/C9H10O4/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h1-2,4-7H,3H2,(H,10,11)(H,12,13)/t4-,5+,6-,7-/m1/s1",NIDNOXCRFUCAKQ-XZBKPIIZSA-N,C9H10O4,182.17,182.0579088,0.3,74.6,266,0,2,4,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-BENZYLOXYBENZALDEHYDE,001700-37-4,74342,3-phenylmethoxybenzaldehyde,C1=CC=C(C=C1)COC2=CC=CC(=C2)C=O,"InChI=1S/C14H12O2/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12/h1-10H,11H2",JAICGBJIBWDEIZ-UHFFFAOYSA-N,C14H12O2,212.24,212.0837296,3.3,26.3,209,0,0,2,4,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-BENZYLOXY-3-METHOXYBENZALDHEHYDE,002426-87-1,75506,3-methoxy-4-phenylmethoxybenzaldehyde,COC1=C(C=CC(=C1)C=O)OCC2=CC=CC=C2,"InChI=1S/C15H14O3/c1-17-15-9-13(10-16)7-8-14(15)18-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3",JSHLOPGSDZTEGQ-UHFFFAOYSA-N,C15H14O3,242.27,242.0942943,2.8,35.5,248,0,0,3,5,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Anisole, 2-(benzyloxy)-5-(2-nitrovinyl)-",1860-56-6,15828,2-methoxy-4-(2-nitroethenyl)-1-phenylmethoxybenzene,COC1=C(C=CC(=C1)C=C[N+](=O)[O-])OCC2=CC=CC=C2,"InChI=1S/C16H15NO4/c1-20-16-11-13(9-10-17(18)19)7-8-15(16)21-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3",YDGNRJKNDGBMCL-UHFFFAOYSA-N,C16H15NO4,285.29,285.100108,3.4,64.3,347,0,0,4,5,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, phenoxyphenyl-",3117-38-2,18384,2-phenoxy-2-phenylacetic acid,C1=CC=C(C=C1)C(C(=O)O)OC2=CC=CC=C2,"InChI=1S/C14H12O3/c15-14(16)13(11-7-3-1-4-8-11)17-12-9-5-2-6-10-12/h1-10,13H,(H,15,16)",ABUKMOCUMIPDHV-UHFFFAOYSA-N,C14H12O3,228.24,228.0786442,3.2,46.5,240,0,1,3,4,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Malononitrile, (p-(benzyloxy)benzylidene)-",27389-83-9,33804,2-[(4-phenylmethoxyphenyl)methylidene]propanedinitrile,C1=CC=C(C=C1)COC2=CC=C(C=C2)C=C(C#N)C#N,"InChI=1S/C17H12N2O/c18-11-16(12-19)10-14-6-8-17(9-7-14)20-13-15-4-2-1-3-5-15/h1-10H,13H2",GBQGNEMSQIQFRK-UHFFFAOYSA-N,C17H12N2O,260.29,260.094963,3.3,56.8,404,0,0,3,4,20,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propanamide, 2-(((4-((3-fluorophenyl)methoxy)phenyl)methyl)amino)-, (S)-",133865-89-1,131682,(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide,C[C@@H](C(=O)N)NCC1=CC=C(C=C1)OCC2=CC(=CC=C2)F,"InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1",NEMGRZFTLSKBAP-LBPRGKRZSA-N,C17H19FN2O2,302.34,302.143056,2.2,64.4,346,0,2,4,7,22,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Aniline, p-benzyloxy-",6373-46-2,22860,4-phenylmethoxyaniline,C1=CC=C(C=C1)COC2=CC=C(C=C2)N,"InChI=1S/C13H13NO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10,14H2",FIIDVVUUWRJXLF-UHFFFAOYSA-N,C13H13NO,199.25,199.099714,3.1,35.3,169,0,1,2,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRAMADOL,027203-92-5,33741,"cis-(1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol",CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O,"InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1",TVYLLZQTGLZFBW-ZBFHGGJFSA-N,C16H25NO2,263.37,263.188529,2.6,32.7,282,0,1,3,4,19,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZONITRILE, 4-(4-ETHYLCYCLOHEXYL)-, TRANS-",072928-54-2,175307,4-(4-ethylcyclohexyl)benzonitrile,CCC1CCC(CC1)C2=CC=C(C=C2)C#N,"InChI=1S/C15H19N/c1-2-12-3-7-14(8-4-12)15-9-5-13(11-16)6-10-15/h5-6,9-10,12,14H,2-4,7-8H2,1H3",BBHJTCADCKZYSO-UHFFFAOYSA-N,C15H19N,213.32,213.1517496,5,23.8,246,0,0,1,2,16,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
PHENYLCYCLOHEXANE,000827-52-1,13229,cyclohexylbenzene,C1CCC(CC1)C2=CC=CC=C2,"InChI=1S/C12H16/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2",IGARGHRYKHJQSM-UHFFFAOYSA-N,C12H16,160.25,160.1252005,4.9,0,116,0,0,0,1,12,,,1,0,0,1,1,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"Cyclohexanol, 1-(m-chlorophenyl)-2-(dimethylaminomethyl)-",73806-43-6,3056581,1-(3-chlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol,CN(C)CC1CCCCC1(C2=CC(=CC=C2)Cl)O,"InChI=1S/C15H22ClNO/c1-17(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(16)10-12/h5,7-8,10,13,18H,3-4,6,9,11H2,1-2H3",YCYVEJKHHUUACO-UHFFFAOYSA-N,C15H22ClNO,267.79,267.138992,3.3,23.5,271,0,1,2,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 5-(1,1-dimethylheptyl)-2-(5-hydroxy-2-(3-hydroxypropyl)cyclohexyl)-,(1alpha,2beta,5alpha)-",83003-12-7,104895,"2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol",CCCCCCC(C)(C)C1=CC(=C(C=C1)[C@@H]2C[C@@H](CC[C@H]2CCCO)O)O,"InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1",YNZFFALZMRAPHQ-SYYKKAFVSA-N,C24H40O3,376.6,376.2977451,6.1,60.7,408,0,3,3,10,27,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
CAFFEINE,000058-08-2,2519,"1,3,7-trimethylpurine-2,6-dione",CN1C=NC2=C1C(=O)N(C(=O)N2C)C,"InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3",RYYVLZVUVIJVGH-UHFFFAOYSA-N,C8H10N4O2,194.19,194.0803756,-0.1,58.4,293,0,0,3,0,14,,"352 °F at 760 mmHg (sublimes) (NTP, 1992)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-",652-37-9,69550,"2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid",CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O,"InChI=1S/C9H10N4O4/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h4H,3H2,1-2H3,(H,14,15)",HCYFGRCYSCXKNQ-UHFFFAOYSA-N,C9H10N4O4,238.2,238.0702048,-0.8,95.7,385,0,1,5,2,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Purine-2,6-dione, 3,7-dihydro-1-hexyl-3,7-dimethyl-",1028-33-7,70569,"1-hexyl-3,7-dimethylpurine-2,6-dione",CCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C,"InChI=1S/C13H20N4O2/c1-4-5-6-7-8-17-12(18)10-11(14-9-15(10)2)16(3)13(17)19/h9H,4-8H2,1-3H3",MRWQRJMESRRJJB-UHFFFAOYSA-N,C13H20N4O2,264.32,264.1586259,2.3,58.4,361,0,0,3,5,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-1-(5-oxohexyl)-7-propyl-",55242-55-2,4938,"3-methyl-1-(5-oxohexyl)-7-propylpurine-2,6-dione",CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(=O)C,"InChI=1S/C15H22N4O3/c1-4-8-18-10-16-13-12(18)14(21)19(15(22)17(13)3)9-6-5-7-11(2)20/h10H,4-9H2,1-3H3",RBQOQRRFDPXAGN-UHFFFAOYSA-N,C15H22N4O3,306.36,306.1691906,0.7,75.5,454,0,0,4,7,22,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"2-PROPEN-1-ONE, 1,3-DIPHENYL-",000094-41-7,637760,"(E)-1,3-diphenylprop-2-en-1-one",C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2,InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+,DQFBYFPFKXHELB-VAWYXSNFSA-N,C15H12O,208.25,208.088815,3.1,17.1,242,0,0,1,3,16,,346.50 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"2-PROPEN-1-ONE, 3-(4-NITROPHENYL)-1-PHENYL-",001222-98-6,5377323,(E)-3-(4-nitrophenyl)-1-phenylprop-2-en-1-one,C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-],InChI=1S/C15H11NO3/c17-15(13-4-2-1-3-5-13)11-8-12-6-9-14(10-7-12)16(18)19/h1-11H/b11-8+,WDZGGAFMGIOIQS-DHZHZOJOSA-N,C15H11NO3,253.25,253.0738932,2.9,62.9,345,0,0,3,3,19,,,1,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propen-1-one, 3-(2-hydroxyphenyl)-1-phenyl-",644-78-0,5367146,(E)-3-(2-hydroxyphenyl)-1-phenylprop-2-en-1-one,C1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2O,"InChI=1S/C15H12O2/c16-14-9-5-4-8-13(14)10-11-15(17)12-6-2-1-3-7-12/h1-11,16H/b11-10+",UDOOPSJCRMKSGL-ZHACJKMWSA-N,C15H12O2,224.25,224.0837296,3.3,37.3,277,0,1,2,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propen-1-one, 3-(4-bromophenyl)-1-phenyl-",1774-66-9,5367147,(E)-3-(4-bromophenyl)-1-phenylprop-2-en-1-one,C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)Br,InChI=1S/C15H11BrO/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11H/b11-8+,JFARWEWTPMAQHW-DHZHZOJOSA-N,C15H11BrO,287.15,285.99933,3.8,17.1,271,0,0,1,3,17,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-Propen-1-one, 3-(4-hydroxyphenyl)-1-phenyl-, (E)-",38239-55-3,5282361,(E)-3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one,C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)O,"InChI=1S/C15H12O2/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11,16H/b11-8+",PWWCDTYUYPOAIU-DHZHZOJOSA-N,C15H12O2,224.25,224.0837296,2.7,37.3,269,0,1,2,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propen-1-one, 1-(4-chlorophenyl)-3-phenyl-",,5377008,(E)-1-(4-chlorophenyl)-3-phenylprop-2-en-1-one,C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)Cl,InChI=1S/C15H11ClO/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-11H/b11-6+,HIINIOLNGCQCSM-IZZDOVSWSA-N,C15H11ClO,242.7,242.0498427,3.7,17.1,271,0,0,1,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9,10-ANTHRACENEDIONE, 1-AMINO-4,8-DIHYDROXY-5-(PHENYLAMINO)-",006370-89-4,80745,"1-amino-5-anilino-4,8-dihydroxyanthracene-9,10-dione",C1=CC=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)O)N,"InChI=1S/C20H14N2O4/c21-11-6-8-13(23)17-15(11)19(25)18-14(24)9-7-12(16(18)20(17)26)22-10-4-2-1-3-5-10/h1-9,22-24H,21H2",BWAIAPNVNORHCV-UHFFFAOYSA-N,C20H14N2O4,346.3,346.0953569,4.1,113,562,0,4,6,2,26,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 4-[(4-AMINO-9,10-DIHYDRO-9,10-DIOXO-1-ANTHRACENYL)AMINO]-",058473-41-9,94069,"4-[(4-amino-9,10-dioxoanthracen-1-yl)amino]benzoic acid",C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NC4=CC=C(C=C4)C(=O)O)N,"InChI=1S/C21H14N2O4/c22-15-9-10-16(23-12-7-5-11(6-8-12)21(26)27)18-17(15)19(24)13-3-1-2-4-14(13)20(18)25/h1-10,23H,22H2,(H,26,27)",FSQRTGQUTVRMNV-UHFFFAOYSA-N,C21H14N2O4,358.3,358.0953569,4.4,109,613,0,3,6,3,27,,,1,0,1,1,0,1,1,0,0,0,1,0,0,1,1,0,0,1,1,1
"2-ANTHRACENESULFONIC ACID, 1-AMINO-4-[[3-[(2,3-DIBROMO-1-OXOPROPYL)AMINO]-2,4,",070210-42-3,153113,"disodium;1-amino-4-[3-(2,3-dibromopropanoylamino)-2,4,6-trimethyl-5-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate",CC1=C(C(=C(C(=C1NC(=O)C(CBr)Br)C)S(=O)(=O)[O-])C)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C26H23Br2N3O9S2.2Na/c1-10-21(11(2)25(42(38,39)40)12(3)22(10)31-26(34)15(28)9-27)30-16-8-17(41(35,36)37)20(29)19-18(16)23(32)13-6-4-5-7-14(13)24(19)33;;/h4-8,15,30H,9,29H2,1-3H3,(H,31,34)(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2",SQRKXGOXNHPTSS-UHFFFAOYSA-L,C26H21Br2N3Na2O9S2,789.4,788.88609,,232,1260,0,3,11,5,44,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-ANTHRACENESULFONIC ACID, 1-AMINO-9,10-DIHYDRO-9,10-DIOXO-4-(PHENYLAMINO)-",002786-71-2,22916,"1-amino-4-anilino-9,10-dioxoanthracene-2-sulfonic acid",C1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O,"InChI=1S/C20H14N2O5S/c21-18-15(28(25,26)27)10-14(22-11-6-2-1-3-7-11)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23/h1-10,22H,21H2,(H,25,26,27)",OPBOOIFXQHPAPJ-UHFFFAOYSA-N,C20H14N2O5S,394.4,394.0623427,3.6,135,727,0,3,7,3,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
1-PYRENEMETHYLAMINE HYDROCHLORIDE,093324-65-3,11601427,pyren-1-ylmethanamine;hydrochloride,C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CN.Cl,"InChI=1S/C17H13N.ClH/c18-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12;/h1-9H,10,18H2;1H",RGNMXKKNDSHTFD-UHFFFAOYSA-N,C17H14ClN,267.8,267.0814771,,26,313,0,2,1,1,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,6,8-TETRABROMOPYRENE",000128-63-2,67188,"1,3,6,8-tetrabromopyrene",C1=CC2=C3C(=C(C=C2Br)Br)C=CC4=C(C=C(C1=C43)Br)Br,InChI=1S/C16H6Br4/c17-11-5-13(19)9-3-4-10-14(20)6-12(18)8-2-1-7(11)15(9)16(8)10/h1-6H,ZKBKRTZIYOKNRG-UHFFFAOYSA-N,C16H6Br4,517.8,517.7162,7.8,0,319,0,0,0,0,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrene, 1,3,6-trinitro-",75321-19-6,53229,"1,3,6-trinitropyrene",C1=CC2=C3C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C=CC4=C(C=CC1=C43)[N+](=O)[O-],InChI=1S/C16H7N3O6/c20-17(21)12-6-2-8-1-3-10-13(18(22)23)7-14(19(24)25)11-5-4-9(12)15(8)16(10)11/h1-7H,BXOXVTWMJCUYLW-UHFFFAOYSA-N,C16H7N3O6,337.24,337.033485,4.5,137,596,0,0,6,0,25,,,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3,8-TRICHLORODIBENZOFURAN",057117-32-5,42129,"2,3,8-trichlorodibenzofuran",C1=CC2=C(C=C1Cl)C3=CC(=C(C=C3O2)Cl)Cl,InChI=1S/C12H5Cl3O/c13-6-1-2-11-7(3-6)8-4-9(14)10(15)5-12(8)16-11/h1-5H,NUNSNNOYACKRIK-UHFFFAOYSA-N,C12H5Cl3O,271.5,269.940598,5.9,13.1,273,0,0,1,0,16,,,1,0,0,1,0,1,1,1,0,0,0,0,0,0,0,0,0,0,1,1
"Dibenzofuran, 3-nitro-",5410-97-9,72897,3-nitrodibenzofuran,C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)[N+](=O)[O-],InChI=1S/C12H7NO3/c14-13(15)8-5-6-10-9-3-1-2-4-11(9)16-12(10)7-8/h1-7H,UVFAHDAUVZRVCC-UHFFFAOYSA-N,C12H7NO3,213.19,213.0425931,3.9,59,288,0,0,3,0,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
2-CHLORODIBENZOFURAN,051230-49-0,32781,2-chlorodibenzofuran,C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)Cl,InChI=1S/C12H7ClO/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7H,PRKTYWJFCODJOA-UHFFFAOYSA-N,C12H7ClO,202.63,202.0185425,5,13.1,218,0,0,1,0,14,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-PROPENOIC ACID, 2-METHYL-, (2,2-DIMETHYL-1,3-DIOXOLAN-4-YL)METHYLESTER",007098-80-8,110950,"(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate",CC(=C)C(=O)OCC1COC(O1)(C)C,"InChI=1S/C10H16O4/c1-7(2)9(11)12-5-8-6-13-10(3,4)14-8/h8H,1,5-6H2,2-4H3",JPFPDGRVRGETED-UHFFFAOYSA-N,C10H16O4,200.23,200.104859,1.3,44.8,245,0,0,4,4,14,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"(R)-(+)-2,2-DIMETHYL-1,3-DIOXOLANE-4-CARBOXYLIC ACID METHYL ESTER",052373-72-5,853166,"methyl (4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylate",CC1(OC[C@@H](O1)C(=O)OC)C,"InChI=1S/C7H12O4/c1-7(2)10-4-5(11-7)6(8)9-3/h5H,4H2,1-3H3/t5-/m1/s1",DOWWCCDWPKGNGX-RXMQYKEDSA-N,C7H12O4,160.17,160.0735589,0.4,44.8,164,0,0,4,2,11,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,3-DIOXOLANE, 2-(2,6-DIMETHYL-1,5-HEPTADIENYL)-4-METHYL-",010444-50-5,5338463,"2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-1,3-dioxolane",CC1COC(O1)/C=C(\C)/CCC=C(C)C,"InChI=1S/C13H22O2/c1-10(2)6-5-7-11(3)8-13-14-9-12(4)15-13/h6,8,12-13H,5,7,9H2,1-4H3/b11-8+",DWZRENGNFQNWQZ-DHZHZOJOSA-N,C13H22O2,210.31,210.1619799,3.6,18.5,249,0,0,2,4,15,,265.00 to 266.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"CYCLOPENTANONE, 2-METHYL-",001120-72-5,14265,2-methylcyclopentan-1-one,CC1CCCC1=O,"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h5H,2-4H2,1H3",ZIXLDMFVRPABBX-UHFFFAOYSA-N,C6H10O,98.14,98.07316494,1,17.1,86,0,0,1,0,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"CYCLOPENTANECARBOXYLIC ACID, 2-OXO-, METHYL ESTER",010472-24-9,66328,methyl 2-oxocyclopentane-1-carboxylate,COC(=O)C1CCCC1=O,"InChI=1S/C7H10O3/c1-10-7(9)5-3-2-4-6(5)8/h5H,2-4H2,1H3",PZBBESSUKAHBHD-UHFFFAOYSA-N,C7H10O3,142.15,142.0629942,0.5,43.4,162,0,0,3,2,10,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Prosta-5,13-dien-1-oic acid, 9,15-dihydroxy-11-oxo-, (5Z,9-alpha,13E,15S)-",041598-07-6,448457,"(Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid",CCCCC[C@@H](/C=C/[C@@H]1[C@H]([C@H](CC1=O)O)C/C=C\CCCC(=O)O)O,"InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-/m0/s1",BHMBVRSPMRCCGG-OUTUXVNYSA-N,C20H32O5,352.5,352.2249741,2.6,94.8,469,0,3,5,12,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"CYCLOPENTANONE, 2-(3-HEXENYL)-",068133-74-4,109549,2-hex-3-enylcyclopentan-1-one,CCC=CCCC1CCCC1=O,"InChI=1S/C11H18O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h3-4,10H,2,5-9H2,1H3",RCJIQNYPBKOVOC-UHFFFAOYSA-N,C11H18O,166.26,166.1357652,2.6,17.1,170,0,0,1,4,12,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"CYCLOPENTANONE, 2,2,5-TRIMETHYL-5-PENTYL-",065443-14-3,103402,"2,2,5-trimethyl-5-pentylcyclopentan-1-one",CCCCCC1(CCC(C1=O)(C)C)C,"InChI=1S/C13H24O/c1-5-6-7-8-13(4)10-9-12(2,3)11(13)14/h5-10H2,1-4H3",PUKWIVZFEZFVAT-UHFFFAOYSA-N,C13H24O,196.33,196.1827154,4.2,17.1,217,0,0,1,4,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclopentanecarbonitrile, 2-oxo-",2941-29-9,98930,2-oxocyclopentane-1-carbonitrile,C1CC(C(=O)C1)C#N,"InChI=1S/C6H7NO/c7-4-5-2-1-3-6(5)8/h5H,1-3H2",IPMQSLPLJDKUPI-UHFFFAOYSA-N,C6H7NO,109.13,109.0527638,0.4,40.9,153,0,0,2,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Cyclopentene-1-acetic acid, 3-chloro-4-oxo-5-((2Z)-2-penten-1-yl)-, methyl ester",,96216,2-cyclopent-2-en-1-ylacetic acid,C1CC(C=C1)CC(=O)O,"InChI=1S/C7H10O2/c8-7(9)5-6-3-1-2-4-6/h1,3,6H,2,4-5H2,(H,8,9)",NNRZTJAACCRFRV-UHFFFAOYSA-N,C7H10O2,126.15,126.0680796,1.2,37.3,138,0,1,2,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANONE, 1-(2,4,4,5,5-PENTAMETHYL-1-CYCLOPENTEN-1-YL)-",013144-88-2,83177,"1-(2,4,4,5,5-pentamethylcyclopenten-1-yl)ethanone",CC1=C(C(C(C1)(C)C)(C)C)C(=O)C,"InChI=1S/C12H20O/c1-8-7-11(3,4)12(5,6)10(8)9(2)13/h7H2,1-6H3",LLCMOZBDJDCWLT-UHFFFAOYSA-N,C12H20O,180.29,180.1514153,2.8,17.1,279,0,0,1,1,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
CODEINE,000076-57-3,5284371,"(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol",CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O,"InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1",OROGSEYTTFOCAN-DNJOTXNNSA-N,C18H21NO3,299.4,299.1521435,1.1,41.9,509,0,1,4,1,22,"167 °F (NTP, 1992)","482 °F at 22 mmHg (sublimes) (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,1,0,1
"Morphinan-6-beta-ol, 7,8-didehydro-4,5-alpha-epoxy-3-methoxy-17-methyl-",509-64-8,5324288,"(4R,4aR,7R,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol",CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@@H](C=C4)O,"InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13+,17-,18-/m0/s1",OROGSEYTTFOCAN-KEMUOJQUSA-N,C18H21NO3,299.4,299.1521435,1.1,41.9,509,0,1,4,1,22,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5-alpha,6-alpha)-, mon",006009-81-0,21118682,"(4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol;hydrate",CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O.O,"InChI=1S/C17H19NO3.H2O/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;/h2-5,10-11,13,16,19-20H,6-8H2,1H3;1H2/t10-,11+,13-,16-,17-;/m0./s1",IYXRQFVHZFEWSY-VYKNHSEDSA-N,C17H21NO4,303.35,303.1470582,,53.9,494,0,3,5,0,22,,,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0
"Morphinan-3,6-alpha-diol, 7,8-didehydro-4,5-alpha-epoxy-17-methyl-, acetate, hydrochloride",63690-08-4,5491627,"[(4R,4aR,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate;hydrochloride",CC(=O)O[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3C.Cl,"InChI=1S/C19H21NO4.ClH/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2;/h3-6,12-13,15,18,22H,7-9H2,1-2H3;1H/t12-,13+,15-,18-,19-;/m0./s1",PPFQPUQSNFAKGV-ZQGPYOJVSA-N,C19H22ClNO4,363.8,363.1237359,,59,592,0,2,5,2,25,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"D-GLUCURONO-6,3-LACTONE",032449-92-6,92283,"(2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetaldehyde",C(=O)[C@@H]([C@@H]1[C@@H]([C@@H](C(=O)O1)O)O)O,"InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h1-5,8-10H/t2-,3+,4-,5+/m0/s1",UYUXSRADSPPKRZ-SKNVOMKLSA-N,C6H8O6,176.12,176.032088,-1.8,104,202,0,3,6,2,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
N-(3-OXO-DODECANOYL) L-HOMOSERINE LACTONE,168982-69-2,3246941,3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodecanamide,CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O,"InChI=1S/C16H27NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h14H,2-12H2,1H3,(H,17,19)/t14-/m0/s1",PHSRRHGYXQCRPU-AWEZNQCLSA-N,C16H27NO4,297.39,297.1940083,4.1,72.5,354,0,1,4,11,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DL-ISOCITRIC LACTONE,004702-32-3,98259,"5-oxooxolane-2,3-dicarboxylic acid",C1C(C(OC1=O)C(=O)O)C(=O)O,"InChI=1S/C6H6O6/c7-3-1-2(5(8)9)4(12-3)6(10)11/h2,4H,1H2,(H,8,9)(H,10,11)",UKZDIMBDWHZXOK-UHFFFAOYSA-N,C6H6O6,174.11,174.0164379,-1,101,244,0,2,6,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-3-OXO-TETRADECANOYL-L-HOMOSERINE LACTONE,177158-19-9,9883786,3-oxo-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide,CCCCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O,"InChI=1S/C18H31NO4/c1-2-3-4-5-6-7-8-9-10-11-15(20)14-17(21)19-16-12-13-23-18(16)22/h16H,2-14H2,1H3,(H,19,21)/t16-/m0/s1",YQFJJDSGBAAUPW-INIZCTEOSA-N,C18H31NO4,325.4,325.2253085,5.2,72.5,381,0,1,4,13,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
N-CHLOROSUCCINIMIDE,000128-09-6,31398,"1-chloropyrrolidine-2,5-dione",C1CC(=O)N(C1=O)Cl,InChI=1S/C4H4ClNO2/c5-6-3(7)1-2-4(6)8/h1-2H2,JRNVZBWKYDBUCA-UHFFFAOYSA-N,C4H4ClNO2,133.53,132.9930561,-0.2,37.4,129,0,0,2,0,8,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-PYRROLIDINEDIONE, 1-[[(1,1-DIMETHYLETHOXY)CARBONYL]OXY]-",013139-12-3,83168,"tert-butyl (2,5-dioxopyrrolidin-1-yl) carbonate",CC(C)(C)OC(=O)ON1C(=O)CCC1=O,"InChI=1S/C9H13NO5/c1-9(2,3)14-8(13)15-10-6(11)4-5-7(10)12/h4-5H2,1-3H3",VTGFSVGZCYYHLO-UHFFFAOYSA-N,C9H13NO5,215.2,215.0793725,0.6,72.9,288,0,0,5,4,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
SUCCINIMIDE,000123-56-8,11439,"pyrrolidine-2,5-dione",C1CC(=O)NC1=O,"InChI=1S/C4H5NO2/c6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7)",KZNICNPSHKQLFF-UHFFFAOYSA-N,C4H5NO2,99.09,99.0320284,-1,46.2,105,0,1,2,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SULFOSUCCINIMIDYL ACETATE,152305-87-8,127857,"1-acetyloxy-2,5-dioxopyrrolidine-3-sulfonic acid",CC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)O,"InChI=1S/C6H7NO7S/c1-3(8)14-7-5(9)2-4(6(7)10)15(11,12)13/h4H,2H2,1H3,(H,11,12,13)",MDUQWFYJHRLNRN-UHFFFAOYSA-N,C6H7NO7S,237.19,236.9943227,-1.2,126,419,0,1,7,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BOC-6-AMINOHEXANOIC ACID-OSU,051513-80-5,5074016,"(2,5-dioxopyrrolidin-1-yl) 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate",CC(C)(C)OC(=O)NCCCCCC(=O)ON1C(=O)CCC1=O,"InChI=1S/C15H24N2O6/c1-15(2,3)22-14(21)16-10-6-4-5-7-13(20)23-17-11(18)8-9-12(17)19/h4-10H2,1-3H3,(H,16,21)",TYJPSIQEEXOQLC-UHFFFAOYSA-N,C15H24N2O6,328.36,328.1634365,0.9,102,453,0,1,6,10,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
(METHOXYMETHYL)TRIPHENYLPHOSPHONIUM CHLORIDE,004009-98-7,2723799,methoxymethyl(triphenyl)phosphanium,COC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C20H20OP/c1-21-17-22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,17H2,1H3/q+1",SDMCZCALYDCRBH-UHFFFAOYSA-N,C20H20OP+,307.3,307.1251773,4.6,9.2,266,1,0,1,5,22,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHONIUM, ETHYLTRIPHENYL-, CHLORIDE",000896-33-3,2724572,ethyl(triphenyl)phosphanium chloride,CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-],"InChI=1S/C20H20P.ClH/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;/h3-17H,2H2,1H3;1H/q+1;/p-1",NJXBVBPTDHBAID-UHFFFAOYSA-M,C20H20ClP,326.8,326.0991153,,0,247,0,0,1,4,22,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
ISOPROPYLTRIPHENYLPHOSPHONIUM IODIDE,024470-78-8,2723783,triphenyl(propan-2-yl)phosphanium iodide,CC(C)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[I-],"InChI=1S/C21H22P.HI/c1-18(2)22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-18H,1-2H3;1H/q+1;/p-1",HHBXWXJLQYJJBW-UHFFFAOYSA-M,C21H22IP,432.3,432.05039,,0,271,0,0,1,4,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHONIUM, (2-ETHOXY-2-OXOETHYL)TRIPHENYL-, CHLORIDE",017577-28-5,87159,(2-ethoxy-2-oxoethyl)-triphenylphosphanium chloride,CCOC(=O)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-],"InChI=1S/C22H22O2P.ClH/c1-2-24-22(23)18-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,2,18H2,1H3;1H/q+1;/p-1",DJGHVEPNEJKZBF-UHFFFAOYSA-M,C22H22ClO2P,384.8,384.1045946,,26.3,359,0,0,3,7,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphonium, (cyanomethyl)triphenyl-, chloride",4336-70-3,197040,cyanomethyl(triphenyl)phosphanium chloride,C1=CC=C(C=C1)[P+](CC#N)(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-],"InChI=1S/C20H17NP.ClH/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15H,17H2;1H/q+1;/p-1",ARPLQAMUUDIHIT-UHFFFAOYSA-M,C20H17ClNP,337.8,337.0787142,,23.8,332,0,0,2,4,23,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CLONAZEPAM,001622-61-3,2802,"5-(2-chlorophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one",C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl,"InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)",DGBIGWXXNGSACT-UHFFFAOYSA-N,C15H10ClN3O3,315.71,315.0410689,2.4,87.3,491,0,1,4,1,22,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,1
LORAZEPAM,000846-49-1,3958,"7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one",C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O)Cl,"InChI=1S/C15H10Cl2N2O2/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17/h1-7,15,21H,(H,18,20)",DIWRORZWFLOCLC-UHFFFAOYSA-N,C15H10Cl2N2O2,321.2,320.011933,2.4,61.7,443,0,2,3,1,21,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"2H-1,4-Benzodiazepin-2-one, 7-chloro-1-(2-(diethylamino)ethyl)-5-(2-fluorophenyl)-1,3-dihydro-, monohydrochloride",36105-20-1,37368,"7-chloro-1-[2-(diethylamino)ethyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one;hydrochloride",CCN(CC)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F.Cl,"InChI=1S/C21H23ClFN3O.ClH/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23;/h5-10,13H,3-4,11-12,14H2,1-2H3;1H",PUGVROXLRUQCAF-UHFFFAOYSA-N,C21H24Cl2FN3O,424.3,423.1280459,,35.9,540,0,1,4,6,28,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"2H-1,4-Benzodiazepin-2-one, 7-bromo-5-(2-chlorophenyl)-1,3-dihydro-",051753-57-2,40113,"7-bromo-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one",C1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3Cl,"InChI=1S/C15H10BrClN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)",CGMJQQJSWIRRRL-UHFFFAOYSA-N,C15H10BrClN2O,349.61,347.9665,3.3,41.5,415,0,1,2,1,20,,,0,0,0,0,0,0,0,1,0,0,1,0,0,1,0,0,0,0,0,0
CINCHONINE,000118-10-5,90454,"(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol",C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=CC=NC4=CC=CC=C34)O,"InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14-,18+,19-/m0/s1",KMPWYEUPVWOPIM-QAMTZSDWSA-N,C19H22N2O,294.4,294.1732133,2.7,36.4,412,0,1,3,3,22,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Quinine, formate (salt)",000130-90-5,9864167,"(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;formic acid",COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.C(=O)O,"InChI=1S/C20H24N2O2.CH2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;2-1-3/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1H,(H,2,3)/t13-,14-,19-,20+;/m0./s1",LKUVXQMSYPYURB-DSXUQNDKSA-N,C21H26N2O4,370.4,370.1892573,,82.9,467,0,2,6,4,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Quinidine, sulfate (1:1) (salt)",747-45-5,22817455,"(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid",COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.OS(=O)(=O)O,"InChI=1S/C20H24N2O2.H2O4S/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4)/t13-,14-,19+,20-;/m0./s1",AKYHKWQPZHDOBW-VJAUXQICSA-N,C20H26N2O6S,422.5,422.1511577,,129,538,0,3,8,4,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Hydroquinidine, monohydrochloride",1476-98-8,16211709,"(S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;hydrochloride",CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=C4C=C(C=CC4=NC=C3)OC)O.Cl,"InChI=1S/C20H26N2O2.ClH/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3;1H/t13-,14-,19+,20-;/m0./s1",MULXTQKDWYBJMO-VJAUXQICSA-N,C20H27ClN2O2,362.9,362.1761058,,45.6,432,0,2,4,4,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cinchonan-9-ol, monohydrochloride, (9S)-",11/1/49,90453,"(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;hydrochloride",C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=CC=NC4=CC=CC=C34)O.Cl,"InChI=1S/C19H22N2O.ClH/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17;/h2-7,9,13-14,18-19,22H,1,8,10-12H2;1H/t13-,14-,18+,19-;/m0./s1",IMUHWLVEEVGMBC-BKUXTCEESA-N,C19H23ClN2O,330.8,330.1498911,,36.4,412,0,2,3,3,23,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PHENYL BENZOATE,000093-99-2,7169,phenyl benzoate,C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2,InChI=1S/C13H10O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,FCJSHPDYVMKCHI-UHFFFAOYSA-N,C13H10O2,198.22,198.0680796,3.6,26.3,201,0,0,2,3,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"BENZOIC ACID, 4-METHOXY-, 4-PENTYLPHENYL ESTER",038444-13-2,94486,(4-pentylphenyl) 4-methoxybenzoate,CCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OC,"InChI=1S/C19H22O3/c1-3-4-5-6-15-7-11-18(12-8-15)22-19(20)16-9-13-17(21-2)14-10-16/h7-14H,3-6H2,1-2H3",UISXVYOLBGBYCV-UHFFFAOYSA-N,C19H22O3,298.4,298.1568946,5.7,35.5,313,0,0,3,8,22,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"PHENOL, 2-METHOXY-4-(1-PROPENYL)-, BENZOATE",004194-00-7,107519,(2-methoxy-4-prop-1-enylphenyl) benzoate,CC=CC1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2)OC,"InChI=1S/C17H16O3/c1-3-7-13-10-11-15(16(12-13)19-2)20-17(18)14-8-5-4-6-9-14/h3-12H,1-2H3",UREJOPRZQKQYLG-UHFFFAOYSA-N,C17H16O3,268.31,268.1099444,4.3,35.5,331,0,0,3,5,20,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,2-BENZENEDICARBOXYLIC ACID, ISOOCTYL PHENYLMETHYL ESTER",027215-22-1,117950,"1-O-(6-methylheptyl) 2-O-(4-methylphenyl) benzene-1,2-dicarboxylate",CC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2C(=O)OCCCCCC(C)C,"InChI=1S/C23H28O4/c1-17(2)9-5-4-8-16-26-22(24)20-10-6-7-11-21(20)23(25)27-19-14-12-18(3)13-15-19/h6-7,10-15,17H,4-5,8-9,16H2,1-3H3",OJTKBTGQAKWTED-UHFFFAOYSA-N,C23H28O4,368.5,368.1987594,6.7,52.6,451,0,0,4,11,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Salicylic acid, 4-amino-, p-tolyl ester",56356-15-1,91815,(4-methylphenyl) 4-amino-2-hydroxybenzoate,CC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)N)O,"InChI=1S/C14H13NO3/c1-9-2-5-11(6-3-9)18-14(17)12-7-4-10(15)8-13(12)16/h2-8,16H,15H2,1H3",OJIOCNFCPOQZFN-UHFFFAOYSA-N,C14H13NO3,243.26,243.0895433,3.4,72.6,287,0,2,4,3,18,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
RESORCINOL MONOBENZOATE,000136-36-7,8690,(3-hydroxyphenyl) benzoate,C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)O,"InChI=1S/C13H10O3/c14-11-7-4-8-12(9-11)16-13(15)10-5-2-1-3-6-10/h1-9,14H",GDESWOTWNNGOMW-UHFFFAOYSA-N,C13H10O3,214.22,214.0629942,3.2,46.5,233,0,1,3,3,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
4-CYANOPHENYL 4-((6(ACRYLOYLOXY)HEXYL)OXY)BENZOATE,083847-14-7,640210,(4-cyanophenyl) 4-(6-prop-2-enoyloxyhexoxy)benzoate,C=CC(=O)OCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N,"InChI=1S/C23H23NO5/c1-2-22(25)28-16-6-4-3-5-15-27-20-13-9-19(10-14-20)23(26)29-21-11-7-18(17-24)8-12-21/h2,7-14H,1,3-6,15-16H2",LNEDNZUQKOGNLJ-UHFFFAOYSA-N,C23H23NO5,393.4,393.1576228,4.9,85.6,565,0,0,6,13,29,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"1H-IMIDAZOLE, 4,5-DIHYDRO-",000504-75-6,68156,"4,5-dihydro-1H-imidazole",C1CN=CN1,"InChI=1S/C3H6N2/c1-2-5-3-4-1/h3H,1-2H2,(H,4,5)",MTNDZQHUAFNZQY-UHFFFAOYSA-N,C3H6N2,70.09,70.0530982,-0.8,24.4,48,0,1,1,0,5,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0
2-METHYLTHIO-2-IMIDAZOLINE HYDROIODIDE,005464-11-9,12221228,"2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydroiodide",CSC1=NCCN1.I,"InChI=1S/C4H8N2S.HI/c1-7-4-5-2-3-6-4;/h2-3H2,1H3,(H,5,6);1H",PZZRSEUDGCFXIH-UHFFFAOYSA-N,C4H9IN2S,244.1,243.95312,,49.7,89,0,2,2,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-IMIDAZOLE-1-ETHANAMINE, 2-HEPTADECYL-4,5-DIHYDRO-",003010-23-9,76374,"2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanamine",CCCCCCCCCCCCCCCCCC1=NCCN1CCN,"InChI=1S/C22H45N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-24-19-21-25(22)20-18-23/h2-21,23H2,1H3",ZDESIKLNPAKKBA-UHFFFAOYSA-N,C22H45N3,351.6,351.3613484,6.9,41.6,314,0,1,2,18,25,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
N-B-HYDROXYETHYL OLEYL IMIDAZOLINE,021652-27-7,5358159,"2-[2-[(Z)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol",CCCCCCCC/C=C\CCCCCCCC1=NCCN1CCO,"InChI=1S/C22H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25/h9-10,25H,2-8,11-21H2,1H3/b10-9-",WGTDLPBPQKAPMN-KTKRTIGZSA-N,C22H42N2O,350.6,350.329714,6.2,35.8,352,0,1,2,17,25,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"PROPANOIC ACID, 3-[2-(2-HEPTYL-4,5-DIHYDRO-1H-IMIDAZOL-1-YL)ETHOXY]-, SODIUM S",068877-55-4,23668771,"sodium 3-[2-(2-heptyl-4,5-dihydroimidazol-1-yl)ethoxy]propanoate",CCCCCCCC1=NCCN1CCOCCC(=O)[O-].[Na+],"InChI=1S/C15H28N2O3.Na/c1-2-3-4-5-6-7-14-16-9-10-17(14)11-13-20-12-8-15(18)19;/h2-13H2,1H3,(H,18,19);/q;+1/p-1",KHKRPRQZEUYKNE-UHFFFAOYSA-M,C15H27N2NaO3,306.38,306.191937,,65,311,0,0,4,12,21,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
INDAN,000496-11-7,10326,"2,3-dihydro-1H-indene",C1CC2=CC=CC=C2C1,"InChI=1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2",PQNFLJBBNBOBRQ-UHFFFAOYSA-N,C9H10,118.18,118.0782503,3.2,0,84,0,0,0,0,9,,,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
(S)-(+)-1-INDANOL,025501-32-0,6971242,"(1S)-2,3-dihydro-1H-inden-1-ol",C1CC2=CC=CC=C2[C@H]1O,"InChI=1S/C9H10O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9-10H,5-6H2/t9-/m0/s1",YIAPLDFPUUJILH-VIFPVBQESA-N,C9H10O,134.17,134.0731649,1.5,20.2,122,0,1,1,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, (5-indanyloxy)-",1878-58-6,15878,"2-(2,3-dihydro-1H-inden-5-yloxy)acetic acid",C1CC2=C(C1)C=C(C=C2)OCC(=O)O,"InChI=1S/C11H12O3/c12-11(13)7-14-10-5-4-8-2-1-3-9(8)6-10/h4-6H,1-3,7H2,(H,12,13)",VJJPTBBOPNGSRR-UHFFFAOYSA-N,C11H12O3,192.21,192.0786442,2.3,46.5,215,0,1,3,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Indanol, 2-amino-, hydrochloride",13935-78-9,203118,"2-amino-2,3-dihydro-1H-inden-1-ol;hydrochloride",C1C(C(C2=CC=CC=C21)O)N.Cl,"InChI=1S/C9H11NO.ClH/c10-8-5-6-3-1-2-4-7(6)9(8)11;/h1-4,8-9,11H,5,10H2;1H",KNFDUVWKQCDJQM-UHFFFAOYSA-N,C9H12ClNO,185.65,185.0607417,,46.3,148,0,3,2,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-INDENE, 2,3-DIHYDRO-1,1,2,3,3,5-HEXAMETHYL-",004834-28-0,95520,"1,1,2,3,3,5-hexamethyl-2H-indene",CC1C(C2=C(C1(C)C)C=C(C=C2)C)(C)C,"InChI=1S/C15H22/c1-10-7-8-12-13(9-10)15(5,6)11(2)14(12,3)4/h7-9,11H,1-6H3",PMJHCUHTUTVMDB-UHFFFAOYSA-N,C15H22,202.33,202.1721507,5.1,0,249,0,0,0,0,15,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,3-DICHLORO-1,4-NAPHTHOQUINONE",000117-80-6,8342,"2,3-dichloronaphthalene-1,4-dione",C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)Cl,InChI=1S/C10H4Cl2O2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,SVPKNMBRVBMTLB-UHFFFAOYSA-N,C10H4Cl2O2,227.04,225.9588348,3.4,34.1,301,0,0,2,0,14,,"Sublimes 527 °F (USCG, 1999)",1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,4-Naphthoquinone, 5,8-dihydroxy-",475-38-7,10141,"5,8-dihydroxynaphthalene-1,4-dione",C1=CC(=C2C(=O)C=CC(=O)C2=C1O)O,"InChI=1S/C10H6O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-4,11-12H",RQNVIKXOOKXAJQ-UHFFFAOYSA-N,C10H6O4,190.15,190.0266087,1.8,74.6,277,0,2,4,0,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PLUMBAGIN,000481-42-5,10205,"5-hydroxy-2-methylnaphthalene-1,4-dione",CC1=CC(=O)C2=C(C1=O)C=CC=C2O,"InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3",VCMMXZQDRFWYSE-UHFFFAOYSA-N,C11H8O3,188.18,188.0473441,2.3,54.4,316,0,1,3,0,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
DODECENYLSUCCINIC ANHYDRIDE,025377-73-5,6433892,"3-[(E)-dodec-1-enyl]oxolane-2,5-dione",CCCCCCCCCC/C=C/C1CC(=O)OC1=O,"InChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(17)19-16(14)18/h11-12,14H,2-10,13H2,1H3/b12-11+",WVRNUXJQQFPNMN-VAWYXSNFSA-N,C16H26O3,266.38,266.1881947,5.4,43.4,307,0,0,3,10,19,,,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
ZIRCONOCENE CHLORIDE HYDRIDE,037342-97-5,53384630,"bis(cyclopenta-1,3-diene);hydride;zirconium(4+);chloride",[H-].[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Cl-].[Zr+4],InChI=1S/2C5H5.ClH.Zr.H/c2*1-2-4-5-3-1;;;/h2*1-5H;1H;;/q2*-1;;+4;-1/p-1,NKIVVMOIGINFTB-UHFFFAOYSA-M,C10H11ClZr,257.87,255.959627,,0,53,0,0,4,0,12,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0
TITANOCENE DICHLORIDE,001271-19-8,76030824,"bis(cyclopenta-1,3-diene);titanium(4+);dichloride",[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Cl-].[Cl-].[Ti+4],InChI=1S/2C5H5.2ClH.Ti/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H;/q2*-1;;;+4/p-2,YMNCCEXICREQQV-UHFFFAOYSA-L,C10H10Cl2Ti,248.96,247.963896,,0,11,0,0,4,0,13,,,1,0,0,1,0,0,1,1,0,0,1,0,0,0,0,0,1,0,0,1
HAFNOCENE DICHLORIDE,012116-66-4,53384553,"bis(cyclopenta-1,3-diene);hafnium(4+);dichloride",[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Cl-].[Cl-].[Hf+4],InChI=1S/2C5H5.2ClH.Hf/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H;/q2*-1;;;+4/p-2,CSEGCHWAMVIXSA-UHFFFAOYSA-L,C10H10Cl2Hf,379.57,379.96252,,0,53,0,0,4,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHYNYLFERROCENE,001271-47-2,71311525,"cyclopenta-1,3-diene;2-ethynylcyclopenta-1,3-diene;iron(2+)",C#CC1=C[CH-]C=C1.[CH-]1C=CC=C1.[Fe+2],"InChI=1S/C7H5.C5H5.Fe/c1-2-7-5-3-4-6-7;1-2-4-5-3-1;/h1,3-6H;1-5H;/q2*-1;+2",BXSUNBWPHNMDRM-UHFFFAOYSA-N,C12H10Fe,210.05,210.013186,,0,99,0,0,2,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
COBALTOCENE,001277-43-6,92884,"cobalt(2+);bis(cyclopenta-1,3-diene)",[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Co+2],InChI=1S/2C5H5.Co/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2,ILZSSCVGGYJLOG-UHFFFAOYSA-N,C10H10Co,189.12,189.011444,,0,11,0,0,2,0,11,,,0,0,0,0,0,1,0,0,0,1,1,0,0,0,1,0,0,1,0,0
BIS(CYCLOPENTADIENYL)TUNGSTEN DIHYDRIDE,001271-33-6,15797703,"bis(cyclopenta-1,3-diene);tungsten dihydride",[CH-]1C=CC=C1.[CH-]1C=CC=C1.[WH2],InChI=1S/2C5H5.W.2H/c2*1-2-4-5-3-1;;;/h2*1-5H;;;/q2*-1;;;,JOWMDCGSJNVRNE-UHFFFAOYSA-N,C10H12W-2,316.04,316.044834,,0,53,-2,0,2,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
CHROMOCENE,001271-24-5,79154,"chromium(2+);bis(cyclopenta-1,3-diene)",[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Cr+2],InChI=1S/2C5H5.Cr/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2,TYYBBNOTQFVVKN-UHFFFAOYSA-N,C10H10Cr,182.18,182.018755,,0,11,0,0,2,0,11,,"167 to 194 °F at 760 mmHg under vacuum (sublimes) (NTP, 1992)",0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"5-Benzofurancarboxylic acid, 2,3-dihydro-7-hydroxy-2-((1S)-1-hydroxy-1,5-dimethyl-4-hexenyl)-, methyl ester, (2R)-",,595656,1-benzofuran-5-carboxylic acid,C1=CC2=C(C=CO2)C=C1C(=O)O,"InChI=1S/C9H6O3/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5H,(H,10,11)",GTWXSZIQNTUNKR-UHFFFAOYSA-N,C9H6O3,162.14,162.031694,1.9,50.4,190,0,1,3,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Benzofurancarboxylic acid, 5-methoxy-, ethyl ester",50551-56-9,521283,ethyl 5-methoxy-1-benzofuran-2-carboxylate,CCOC(=O)C1=CC2=C(O1)C=CC(=C2)OC,"InChI=1S/C12H12O4/c1-3-15-12(13)11-7-8-6-9(14-2)4-5-10(8)16-11/h4-7H,3H2,1-2H3",IJCODAOXFYTGBS-UHFFFAOYSA-N,C12H12O4,220.22,220.0735589,2.8,48.7,253,0,0,4,4,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(2,2'-BIPYRIDINE)DICHLOROPALLADIUM(II)",014871-92-2,6096670,dichloropalladium;2-pyridin-2-ylpyridine,C1=CC=NC(=C1)C2=CC=CC=N2.Cl[Pd]Cl,InChI=1S/C10H8N2.2ClH.Pd/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h1-8H;2*1H;/q;;;+2/p-2,MUNARLQNCCGPQU-UHFFFAOYSA-L,C10H8Cl2N2Pd,333.5,331.90993,,25.8,123,0,0,2,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2'-DEOXYURIDINE,000951-78-0,13712,"1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,"InChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1",MXHRCPNRJAMMIM-SHYZEUOFSA-N,C9H12N2O5,228.2,228.0746215,-1.6,99.1,343,0,3,5,2,16,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
(+)-5-IODO-2'-DEOXYURIDINE,000054-42-2,5905,"1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione",C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)CO)O,"InChI=1S/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1",XQFRJNBWHJMXHO-RRKCRQDMSA-N,C9H11IN2O5,354.1,353.97127,-1,99.1,386,0,3,5,2,17,,,0,0,0,0,0,0,0,1,0,0,1,0,0,1,0,0,1,0,0,1
"Allofuranuronic acid, 5-(2-amino-2-deoxy-L-xylonamido)-1,5-dideoxy-1-(3,4-dihydro-5-(hydroxymethyl)-2,4-dioxo-1(2H)-pyrimidinyl)-, monocarbamate (ester), beta-D-",19396-06-6,181352,"(2S)-2-[[(2S,3S,4S)-2-amino-5-carbamoyloxy-3,4-dihydroxypentanoyl]amino]-2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]acetic acid",C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)[C@@H](C(=O)O)NC(=O)[C@H]([C@@H]([C@H](COC(=O)N)O)O)N)O)O)CO,"InChI=1S/C17H25N5O13/c18-6(8(25)5(24)3-34-16(19)32)13(29)20-7(15(30)31)11-9(26)10(27)14(35-11)22-1-4(2-23)12(28)21-17(22)33/h1,5-11,14,23-27H,2-3,18H2,(H2,19,32)(H,20,29)(H,30,31)(H,21,28,33)/t5-,6-,7-,8+,9-,10+,11+,14+/m0/s1",YFZNSPMAOIVQRP-YVKGXWRCSA-N,C17H25N5O13,507.4,507.1448859,-8.1,305,898,0,10,14,11,35,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Uracil, 1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-iodo-",69123-98-4,50313,"1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione",C1=C(C(=O)NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F)I,"InChI=1S/C9H10FIN2O5/c10-5-6(15)4(2-14)18-8(5)13-1-3(11)7(16)12-9(13)17/h1,4-6,8,14-15H,2H2,(H,12,16,17)/t4-,5+,6-,8-/m1/s1",IPVFGAYTKQKGBM-BYPJNBLXSA-N,C9H10FIN2O5,372.09,371.96185,-0.9,99.1,418,0,3,6,2,18,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-PHENYLTHIOANILINE,001134-94-7,365393,2-phenylsulfanylaniline,C1=CC=C(C=C1)SC2=CC=CC=C2N,"InChI=1S/C12H11NS/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H,13H2",DGBISJKLNVVJGD-UHFFFAOYSA-N,C12H11NS,201.29,201.0612205,3.3,51.3,166,0,1,2,2,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Sulfide, anilino (p-nitrophenyl)",101-59-7,7566,4-(4-nitrophenyl)sulfanylaniline,C1=CC(=CC=C1N)SC2=CC=C(C=C2)[N+](=O)[O-],"InChI=1S/C12H10N2O2S/c13-9-1-5-11(6-2-9)17-12-7-3-10(4-8-12)14(15)16/h1-8H,13H2",ZBPKGHOGUVVDLF-UHFFFAOYSA-N,C12H10N2O2S,246.29,246.0462987,2.7,97.1,254,0,1,4,2,17,,,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Sulfide, bis(p-chlorophenyl)",10/2/81,78854,1-chloro-4-(4-chlorophenyl)sulfanylbenzene,C1=CC(=CC=C1SC2=CC=C(C=C2)Cl)Cl,InChI=1S/C12H8Cl2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,MJEPOVIWHVRBIT-UHFFFAOYSA-N,C12H8Cl2S,255.2,253.9723768,5.3,25.3,162,0,0,1,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-Propenamide, 3-(2-((4-chlorophenyl)thio)phenyl)-N-(4-(dimethylamino)butyl)-",,11111893,(E)-3-[2-(4-chlorophenyl)sulfanylphenyl]-N-[4-(dimethylamino)butyl]prop-2-enamide,CN(C)CCCCNC(=O)/C=C/C1=CC=CC=C1SC2=CC=C(C=C2)Cl,"InChI=1S/C21H25ClN2OS/c1-24(2)16-6-5-15-23-21(25)14-9-17-7-3-4-8-20(17)26-19-12-10-18(22)11-13-19/h3-4,7-14H,5-6,15-16H2,1-2H3,(H,23,25)/b14-9+",RVXKUSLFQCZMJA-NTEUORMPSA-N,C21H25ClN2OS,389,388.1376123,5.1,57.6,436,0,1,3,9,26,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 2-[[(2-HYDROXYPHENYL)IMINO]METHYL]-",001761-56-4,74479,2-[(2-hydroxyphenyl)iminomethyl]phenol,C1=CC=C(C(=C1)C=NC2=CC=CC=C2O)O,"InChI=1S/C13H11NO2/c15-12-7-3-1-5-10(12)9-14-11-6-2-4-8-13(11)16/h1-9,15-16H",CHBGIQHEGBKNGA-UHFFFAOYSA-N,C13H11NO2,213.23,213.0789786,2.7,52.8,242,0,2,3,2,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZONITRILE, 4-[[(4-METHOXYPHENYL)METHYLENE]AMINO]-",013036-19-6,114608,4-[(4-methoxyphenyl)methylideneamino]benzonitrile,COC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C#N,"InChI=1S/C15H12N2O/c1-18-15-8-4-13(5-9-15)11-17-14-6-2-12(10-16)3-7-14/h2-9,11H,1H3",SZTAFPBCQLNZQR-UHFFFAOYSA-N,C15H12N2O,236.27,236.094963,2.9,45.4,315,0,0,3,3,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
N-(4-METHOXYBENZYLIDENE)-4-BUTYLANILINE,026227-73-6,33363,N-(4-butylphenyl)-1-(4-methoxyphenyl)methanimine,CCCCC1=CC=C(C=C1)N=CC2=CC=C(C=C2)OC,"InChI=1S/C18H21NO/c1-3-4-5-15-6-10-17(11-7-15)19-14-16-8-12-18(20-2)13-9-16/h6-14H,3-5H2,1-2H3",FEIWNULTQYHCDN-UHFFFAOYSA-N,C18H21NO,267.4,267.1623143,5.1,21.6,273,0,0,2,6,20,"greater than 235 °F (NTP, 1992)",,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, 4-BUTYL-N-[(4-ETHOXYPHENYL)METHYLENE]-",029743-08-6,94406,N-(4-butylphenyl)-1-(4-ethoxyphenyl)methanimine,CCCCC1=CC=C(C=C1)N=CC2=CC=C(C=C2)OCC,"InChI=1S/C19H23NO/c1-3-5-6-16-7-11-18(12-8-16)20-15-17-9-13-19(14-10-17)21-4-2/h7-15H,3-6H2,1-2H3",DBOAVDSSZWDGTH-UHFFFAOYSA-N,C19H23NO,281.4,281.1779644,5.4,21.6,286,0,0,2,7,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 4-(((3,4-dimethoxyphenyl)methylene)amino)-",13160-78-6,202726,"4-[(3,4-dimethoxyphenyl)methylideneamino]benzoic acid",COC1=C(C=C(C=C1)C=NC2=CC=C(C=C2)C(=O)O)OC,"InChI=1S/C16H15NO4/c1-20-14-8-3-11(9-15(14)21-2)10-17-13-6-4-12(5-7-13)16(18)19/h3-10H,1-2H3,(H,18,19)",GXQAOUFDVRTGGL-UHFFFAOYSA-N,C16H15NO4,285.29,285.100108,2.9,68.1,363,0,1,5,5,21,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 4-(((2-methoxyphenyl)methylene)amino)-",71937-07-0,961439,4-[(2-methoxyphenyl)methylideneamino]benzoic acid,COC1=CC=CC=C1C=NC2=CC=C(C=C2)C(=O)O,"InChI=1S/C15H13NO3/c1-19-14-5-3-2-4-12(14)10-16-13-8-6-11(7-9-13)15(17)18/h2-10H,1H3,(H,17,18)",QUXIIRLGUZOXFR-UHFFFAOYSA-N,C15H13NO3,255.27,255.0895433,2.7,58.9,321,0,1,4,4,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 4-(((2,4-dichlorophenyl)methylene)amino)-",71937-04-7,962288,"4-[(2,4-dichlorophenyl)methylideneamino]benzoic acid",C1=CC(=CC=C1C(=O)O)N=CC2=C(C=C(C=C2)Cl)Cl,"InChI=1S/C14H9Cl2NO2/c15-11-4-1-10(13(16)7-11)8-17-12-5-2-9(3-6-12)14(18)19/h1-8H,(H,18,19)",FFSUIMOLMFMASL-UHFFFAOYSA-N,C14H9Cl2NO2,294.1,293.0010339,4,49.7,340,0,1,3,3,19,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
4-PIPERAZINOBENZONITRILE,068104-63-2,2733995,4-piperazin-1-ylbenzonitrile,C1CN(CCN1)C2=CC=C(C=C2)C#N,"InChI=1S/C11H13N3/c12-9-10-1-3-11(4-2-10)14-7-5-13-6-8-14/h1-4,13H,5-8H2",DJJNYEXRPRQXPD-UHFFFAOYSA-N,C11H13N3,187.24,187.1109474,0.9,39.1,216,0,1,3,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperazine, 1-(3-(trifluoromethyl)phenyl)-",15532-75-9,4296,1-[3-(trifluoromethyl)phenyl]piperazine,C1CN(CCN1)C2=CC=CC(=C2)C(F)(F)F,"InChI=1S/C11H13F3N2/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16/h1-3,8,15H,4-7H2",KKIMDKMETPPURN-UHFFFAOYSA-N,C11H13F3N2,230.23,230.1030829,2.3,15.3,224,0,1,5,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperazine, 1-(4-methoxyphenyl)-",38212-30-5,269722,1-(4-methoxyphenyl)piperazine,COC1=CC=C(C=C1)N2CCNCC2,"InChI=1S/C11H16N2O/c1-14-11-4-2-10(3-5-11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3",MRDGZSKYFPGAKP-UHFFFAOYSA-N,C11H16N2O,192.26,192.1262631,1.2,24.5,161,0,1,3,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Piperazineethanol, 4-(3-(trifluoromethyl)phenyl)-, monohydrochloride",54711-67-0,3041684,2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol;hydrochloride,C1CN(CCN1CCO)C2=CC=CC(=C2)C(F)(F)F.Cl,"InChI=1S/C13H17F3N2O.ClH/c14-13(15,16)11-2-1-3-12(10-11)18-6-4-17(5-7-18)8-9-19;/h1-3,10,19H,4-9H2;1H",KNFHVCMMLFRKSU-UHFFFAOYSA-N,C13H18ClF3N2O,310.74,310.1059754,,26.7,278,0,2,6,3,20,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-Propanediol, 3-(4-phenylpiperazin-1-yl)-, S(-)-",99291-25-5,65859,"(2S)-3-(4-phenylpiperazin-1-yl)propane-1,2-diol",C1CN(CCN1C[C@@H](CO)O)C2=CC=CC=C2,"InChI=1S/C13H20N2O2/c16-11-13(17)10-14-6-8-15(9-7-14)12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2/t13-/m0/s1",PTVWPYVOOKLBCG-ZDUSSCGKSA-N,C13H20N2O2,236.31,236.1524779,0.6,46.9,211,0,2,4,4,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-(3-CHLOROPHENYL)PIPERAZINE HYDROCHLORIDE,065369-76-8,25681,1-(3-chlorophenyl)piperazine;hydrochloride,C1CN(CCN1)C2=CC(=CC=C2)Cl.Cl,"InChI=1S/C10H13ClN2.ClH/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13;/h1-3,8,12H,4-7H2;1H",MHXPYWFZULXYHT-UHFFFAOYSA-N,C10H14Cl2N2,233.13,232.0534038,,15.3,157,0,2,2,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,4-THIADIAZOLE, 2,5-BIS(TERT-DODECYLDITHIO)-",059656-20-1,108795,"2,5-bis(2-methylundecan-2-yldisulfanyl)-1,3,4-thiadiazole",CCCCCCCCCC(C)(C)SSC1=NN=C(S1)SSC(C)(C)CCCCCCCCC,"InChI=1S/C26H50N2S5/c1-7-9-11-13-15-17-19-21-25(3,4)32-30-23-27-28-24(29-23)31-33-26(5,6)22-20-18-16-14-12-10-8-2/h7-22H2,1-6H3",XFAHFFMTBQKDHA-UHFFFAOYSA-N,C26H50N2S5,551,550.2577555,12.4,155,422,0,0,7,22,33,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,4-Thiadiazole, 2-amino-5-(methylthio)-",5319-77-7,21390,"5-methylsulfanyl-1,3,4-thiadiazol-2-amine",CSC1=NN=C(S1)N,"InChI=1S/C3H5N3S2/c1-7-3-6-5-2(4)8-3/h1H3,(H2,4,5)",PCLAZAJARAIGGD-UHFFFAOYSA-N,C3H5N3S2,147.2,146.9924895,0.9,105,78,0,1,5,1,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,4-Thiadiazole, 2-(N,N'-dimethylureido)-5-trifluoromethyl-",25366-23-8,32921,"1,3-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea",CNC(=O)N(C)C1=NN=C(S1)C(F)(F)F,"InChI=1S/C6H7F3N4OS/c1-10-4(14)13(2)5-12-11-3(15-5)6(7,8)9/h1-2H3,(H,10,14)",BBJPZPLAZVZTGR-UHFFFAOYSA-N,C6H7F3N4OS,240.21,240.0292665,0.8,86.4,249,0,1,7,1,15,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, 1,3-dimethyl-1-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-",30043-49-3,91596,"1-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea",CCS(=O)(=O)C1=NN=C(S1)N(C)C(=O)NC,"InChI=1S/C7H12N4O3S2/c1-4-16(13,14)7-10-9-6(15-7)11(3)5(12)8-2/h4H2,1-3H3,(H,8,12)",KCOCSOWTADCKOL-UHFFFAOYSA-N,C7H12N4O3S2,264.3,264.0350826,-0.2,129,353,0,1,6,3,16,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"ESTRADIOL, DIPROPIONATE",000113-38-2,8225,"[(8R,9S,13S,14S,17S)-13-methyl-3-propanoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] propanoate",CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)OC(=O)CC)C,"InChI=1S/C24H32O4/c1-4-22(25)27-16-7-9-17-15(14-16)6-8-19-18(17)12-13-24(3)20(19)10-11-21(24)28-23(26)5-2/h7,9,14,18-21H,4-6,8,10-13H2,1-3H3/t18-,19-,20+,21+,24+/m1/s1",JQIYNMYZKRGDFK-RUFWAXPRSA-N,C24H32O4,384.5,384.2300595,4.3,52.6,601,0,0,4,6,28,,,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Estradiol, 17-valerate",000979-32-8,13791,"[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate",CCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)O)C,"InChI=1S/C23H32O3/c1-3-4-5-22(25)26-21-11-10-20-19-8-6-15-14-16(24)7-9-17(15)18(19)12-13-23(20,21)2/h7,9,14,18-21,24H,3-6,8,10-13H2,1-2H3/t18-,19-,20+,21+,23+/m1/s1",RSEPBGGWRJCQGY-RBRWEJTLSA-N,C23H32O3,356.5,356.2351449,6,46.5,518,0,1,3,5,26,,,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
ESTRIOL,000050-27-1,5756,"(8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol",C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O,"InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1",PROQIPRRNZUXQM-ZXXIGWHRSA-N,C18H24O3,288.4,288.1725446,2.5,60.7,411,0,3,3,0,21,,,0,0,0,0,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"Estra-1,3,5(10)-triene-16-alpha,17-beta-diol, 3-methoxy-",001474-53-9,5284653,"(8R,9S,13S,14S,16R,17R)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol",C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)OC,"InChI=1S/C19H26O3/c1-19-8-7-14-13-6-4-12(22-2)9-11(13)3-5-15(14)16(19)10-17(20)18(19)21/h4,6,9,14-18,20-21H,3,5,7-8,10H2,1-2H3/t14-,15-,16+,17-,18+,19+/m1/s1",UHQGCIIQUZBJAE-QKDSSNGWSA-N,C19H26O3,302.4,302.1881947,2.8,49.7,425,0,2,3,1,22,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Estra-1,3,5(10)-trien-3-ol",000053-63-4,5888,"(8S,9S,13S,14S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol",C[C@@]12CCC[C@H]1[C@@H]3CCC4=C([C@H]3CC2)C=CC(=C4)O,"InChI=1S/C18H24O/c1-18-9-2-3-17(18)16-6-4-12-11-13(19)5-7-14(12)15(16)8-10-18/h5,7,11,15-17,19H,2-4,6,8-10H2,1H3/t15-,16-,17+,18+/m1/s1",HJKVPZJVBHWFCQ-BDXSIMOUSA-N,C18H24O,256.4,256.1827154,5.6,20.2,352,0,1,1,0,19,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Estra-1,3,5(10)-triene-3,17-diol, 3-(hydrogen sulfate), sodium salt, (17beta)- (1:1)",4999-79-5,23691039,"sodium [(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfate",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OS(=O)(=O)[O-].[Na+],"InChI=1S/C18H24O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,15-,16+,17+,18+;/m1./s1",LMJQCTISQYSLPF-CMZLOHJFSA-M,C18H23NaO5S,374.4,374.1163893,,95,591,0,1,5,2,25,,,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
17-BETA-ESTRADIOL,000050-28-2,5757,"(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1",VOXZDWNPVJITMN-ZBRFXRBCSA-N,C18H24O2,272.4,272.17763,4,40.5,382,0,2,2,0,20,,445.9±45.0,1,0,0,0,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"4(1H)-PYRIMIDINONE, 6-METHYL-2-(1-METHYLETHYL)-",002814-20-2,135444498,4-methyl-2-propan-2-yl-1H-pyrimidin-6-one,CC1=CC(=O)NC(=N1)C(C)C,"InChI=1S/C8H12N2O/c1-5(2)8-9-6(3)4-7(11)10-8/h4-5H,1-3H3,(H,9,10,11)",AJPIUNPJBFBUKK-UHFFFAOYSA-N,C8H12N2O,152.19,152.094963,0.7,41.5,238,0,1,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Pyrimidinol, 2-amino-6-chloro-",1194-21-4,135403356,2-amino-4-chloro-1H-pyrimidin-6-one,C1=C(N=C(NC1=O)N)Cl,"InChI=1S/C4H4ClN3O/c5-2-1-3(9)8-4(6)7-2/h1H,(H3,6,7,8,9)",VBWACOJLJYUFKJ-UHFFFAOYSA-N,C4H4ClN3O,145.55,145.0042895,-0.5,67.5,208,0,2,2,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Sulfone, p-chlorophenyl 2,4,5-trichlorophenyl",000116-29-0,8305,"1,2,4-trichloro-5-(4-chlorophenyl)sulfonylbenzene",C1=CC(=CC=C1S(=O)(=O)C2=CC(=C(C=C2Cl)Cl)Cl)Cl,"InChI=1S/C12H6Cl4O2S/c13-7-1-3-8(4-2-7)19(17,18)12-6-10(15)9(14)5-11(12)16/h1-6H",MLGCXEBRWGEOQX-UHFFFAOYSA-N,C12H6Cl4O2S,356,355.881311,5.1,42.5,400,0,0,2,2,19,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetanilide, 4'-sulfanilyl-",565-20-8,11257,N-[4-(4-aminophenyl)sulfonylphenyl]acetamide,CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N,"InChI=1S/C14H14N2O3S/c1-10(17)16-12-4-8-14(9-5-12)20(18,19)13-6-2-11(15)3-7-13/h2-9H,15H2,1H3,(H,16,17)",WDOCBIHNYYQINH-UHFFFAOYSA-N,C14H14N2O3S,290.34,290.0725135,0.9,97.6,428,0,2,4,3,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
DAPSONE,000080-08-0,2955,4-(4-aminophenyl)sulfonylaniline,C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N,"InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2",MQJKPEGWNLWLTK-UHFFFAOYSA-N,C12H12N2O2S,248.3,248.0619488,1,94.6,306,0,2,4,2,17,"greater than 320 °F (NTP, 1992)",,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TRIPHENYLCARBINOL,000076-84-6,6457,triphenylmethanol,C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O,"InChI=1S/C19H16O/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,20H",LZTRCELOJRDYMQ-UHFFFAOYSA-N,C19H16O,260.3,260.1201151,3.7,20.2,235,0,1,1,3,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-CYCLOHEXEN-1-ONE,000930-68-7,13594,cyclohex-2-en-1-one,C1CC=CC(=O)C1,"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2",FWFSEYBSWVRWGL-UHFFFAOYSA-N,C6H8O,96.13,96.05751487,0.6,17.1,103,0,0,1,0,7,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"2-CYCLOHEXEN-1-ONE, 2,5,6-TRIMETHYL-",020030-30-2,89264,"2,5,6-trimethylcyclohex-2-en-1-one",CC1CC=C(C(=O)C1C)C,"InChI=1S/C9H14O/c1-6-4-5-7(2)9(10)8(6)3/h5-6,8H,4H2,1-3H3",QAQCUBLNHBKTRM-UHFFFAOYSA-N,C9H14O,138.21,138.1044651,2.3,17.1,179,0,0,1,0,10,,,0,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0
"2-CYCLOHEXEN-1-ONE, 3-METHYL-",001193-18-6,14511,3-methylcyclohex-2-en-1-one,CC1=CC(=O)CCC1,"InChI=1S/C7H10O/c1-6-3-2-4-7(8)5-6/h5H,2-4H2,1H3",IITQJMYAYSNIMI-UHFFFAOYSA-N,C7H10O,110.15,110.0731649,0.8,17.1,133,0,0,1,0,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Retinoic acid, 4-oxo-, 13-cis-",071748-58-8,6437087,"(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid",CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C,"InChI=1S/C20H26O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,13H,11-12H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7+,15-13-",GGCUJPCCTQNTJF-FAOQNJJDSA-N,C20H26O3,314.4,314.1881947,4.8,54.4,638,0,1,3,5,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"2-CYCLOHEXEN-1-ONE, 2-METHYL-5-(1-METHYLETHENYL)-",000099-49-0,7439,2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one,CC1=CCC(CC1=O)C(=C)C,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3",ULDHMXUKGWMISQ-UHFFFAOYSA-N,C10H14O,150.22,150.1044651,2.4,17.1,223,0,0,1,1,11,,230-231 °C,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"s-Triazole, 3,5-dichloro-",10327-87-4,98635,"3,5-dichloro-1H-1,2,4-triazole",C1(=NC(=NN1)Cl)Cl,"InChI=1S/C2HCl2N3/c3-1-5-2(4)7-6-1/h(H,5,6,7)",JNTFFNKMQMJJQZ-UHFFFAOYSA-N,C2HCl2N3,137.95,136.9547524,1.9,41.6,68,0,1,2,0,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-1,2,4-TRIAZOL-3-AMINE, 5-(METHYLTHIO)-",045534-08-5,78471,"3-methylsulfanyl-1H-1,2,4-triazol-5-amine",CSC1=NNC(=N1)N,"InChI=1S/C3H6N4S/c1-8-3-5-2(4)6-7-3/h1H3,(H3,4,5,6,7)",XGWWZKBCQLBJNH-UHFFFAOYSA-N,C3H6N4S,130.17,130.0313174,0.5,92.9,77,0,2,4,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GUANAZOLE,001455-77-2,15078,"1H-1,2,4-triazole-3,5-diamine",C1(=NC(=NN1)N)N,"InChI=1S/C2H5N5/c3-1-5-2(4)7-6-1/h(H5,3,4,5,6,7)",PKWIYNIDEDLDCJ-UHFFFAOYSA-N,C2H5N5,99.1,99.05449518,-0.7,93.6,63,0,3,4,0,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-VINYL-1,2,4-TRIAZOLE",002764-83-2,565261,"1-ethenyl-1,2,4-triazole",C=CN1C=NC=N1,"InChI=1S/C4H5N3/c1-2-7-4-5-3-6-7/h2-4H,1H2",ITUNZCVRYICLQM-UHFFFAOYSA-N,C4H5N3,95.1,95.04834717,0.6,30.7,71,0,0,2,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5,8-DIBROMOQUINOXALINE",148231-12-3,11514763,"5,8-dibromoquinoxaline",C1=CC(=C2C(=C1Br)N=CC=N2)Br,InChI=1S/C8H4Br2N2/c9-5-1-2-6(10)8-7(5)11-3-4-12-8/h1-4H,ZPZBXKVJNVNNET-UHFFFAOYSA-N,C8H4Br2N2,287.94,287.87207,2.6,25.8,147,0,0,2,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"6-Quinoxalinecarbonitrile, 1,2,3,4-tetrahydro-7-nitro-2,3-dioxo-, disodium salt",,23273535,quinoxaline-6-carbonitrile,C1=CC2=NC=CN=C2C=C1C#N,InChI=1S/C9H5N3/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-5H,IFIJAECRUMYOAH-UHFFFAOYSA-N,C9H5N3,155.16,155.0483472,1,49.6,205,0,0,3,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Phosphorothioic acid, O,O-diethyl O-(2-quinoxalinyl) ester",013593-03-8,26124,diethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane,CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1,"InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-12-9-13-10-7-5-6-8-11(10)14-12/h5-9H,3-4H2,1-2H3",JYQUHIFYBATCCY-UHFFFAOYSA-N,C12H15N2O3PS,298.3,298.0541005,4.4,85.6,322,0,0,6,6,19,,,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
MDMB-4EN-PINACA,2504100-70-1,155804661,"methyl (2S)-3,3-dimethyl-2-[(1-pent-4-enylindazole-3-carbonyl)amino]butanoate",CC(C)(C)[C@@H](C(=O)OC)NC(=O)C1=NN(C2=CC=CC=C21)CCCC=C,"InChI=1S/C20H27N3O3/c1-6-7-10-13-23-15-12-9-8-11-14(15)16(22-23)18(24)21-17(19(25)26-5)20(2,3)4/h6,8-9,11-12,17H,1,7,10,13H2,2-5H3,(H,21,24)/t17-/m1/s1",LWOCBHBFWNGPGM-QGZVFWFLSA-N,C20H27N3O3,357.4,357.2052417,4.3,73.2,515,0,1,4,9,26,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Indazole, 5-chloro-",698-26-0,69681,5-chloro-1H-indazole,C1=CC2=C(C=C1Cl)C=NN2,"InChI=1S/C7H5ClN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)",FVNCILPDWNBPLK-UHFFFAOYSA-N,C7H5ClN2,152.58,152.0141259,2.8,28.7,129,0,1,1,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Indazole, 7-nitro-",2942-42-9,1893,7-nitro-1H-indazole,C1=CC2=C(C(=C1)[N+](=O)[O-])NN=C2,"InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)",PQCAUHUKTBHUSA-UHFFFAOYSA-N,C7H5N3O2,163.13,163.0381764,1.8,74.5,192,0,1,3,0,12,,,0,0,0,1,0,1,0,1,0,0,1,0,0,1,0,0,1,0,0,0
"1H-Indazole-3-carboxamide, 1-(5-fluoropentyl)-N-(2-naphthalenyl)-",,20978176,1H-indazole-3-carboxamide,C1=CC=C2C(=C1)C(=NN2)C(=O)N,"InChI=1S/C8H7N3O/c9-8(12)7-5-3-1-2-4-6(5)10-11-7/h1-4H,(H2,9,12)(H,10,11)",DITBWPUMEUDVLU-UHFFFAOYSA-N,C8H7N3O,161.16,161.0589119,0.8,71.8,195,0,2,2,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CYTIDINE 5'-DIPHOSPHOCHOLINE SODIUM SALT DIHYDRATE,033818-15-4,36605,"sodium [[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] 2-(trimethylazaniumyl)ethyl phosphate",C[N+](C)(C)CCOP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O.[Na+],"InChI=1S/C14H26N4O11P2.Na/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21;/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25);/q;+1/p-1/t9-,11-,12-,13-;/m1./s1",YWAFNFGRBBBSPD-OCMLZEEQSA-M,C14H25N4NaO11P2,510.31,510.0892759,,216,813,0,3,11,10,32,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Cytidine, 5-bromo-2'-deoxy-",1022-79-3,472175,"4-amino-5-bromo-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one",C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)Br)CO)O,"InChI=1S/C9H12BrN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7+/m0/s1",KISUPFXQEHWGAR-RRKCRQDMSA-N,C9H12BrN3O4,306.11,305.00112,-0.9,108,398,0,3,4,2,17,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-(AND-6)-CARBOXY-2',7'-DICHLOROFLUORESCEIN",111843-78-8,132525,"2',7'-dichloro-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid",C1=CC2=C(C=C1C(=O)O)C(=O)OC23C4=CC(=C(C=C4OC5=CC(=C(C=C35)Cl)O)O)Cl,"InChI=1S/C21H10Cl2O7/c22-13-4-11-17(6-15(13)24)29-18-7-16(25)14(23)5-12(18)21(11)10-2-1-8(19(26)27)3-9(10)20(28)30-21/h1-7,24-25H,(H,26,27)",JGZVUTYDEVUNMK-UHFFFAOYSA-N,C21H10Cl2O7,445.2,443.980358,4.2,113,702,0,3,7,1,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
EOSIN B DISODIUM,000548-24-3,12961637,"disodium;4',5'-dibromo-2',7'-dinitro-3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate",C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)[N+](=O)[O-])[O-])Br)Br)[O-])[N+](=O)[O-].[Na+].[Na+],"InChI=1S/C20H8Br2N2O9.2Na/c21-13-15(25)11(23(28)29)5-9-17(13)32-18-10(6-12(24(30)31)16(26)14(18)22)20(9)8-4-2-1-3-7(8)19(27)33-20;;/h1-6,25-26H;;/q;2*+1/p-2",QGAYMQGSQUXCQO-UHFFFAOYSA-L,C20H6Br2N2Na2O9,624.1,623.82149,,173,804,0,0,9,0,35,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
9-METHYLCARBAZOLE,001484-12-4,15142,9-methylcarbazole,CN1C2=CC=CC=C2C3=CC=CC=C31,"InChI=1S/C13H11N/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2-9H,1H3",SDFLTYHTFPTIGX-UHFFFAOYSA-N,C13H11N,181.23,181.0891494,3.3,4.9,191,0,0,0,0,14,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"9H-Carbazole, 3-methyl-",4630-20-0,20746,3-methyl-9H-carbazole,CC1=CC2=C(C=C1)NC3=CC=CC=C32,"InChI=1S/C13H11N/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2-8,14H,1H3",PHKYYUQQYARDIU-UHFFFAOYSA-N,C13H11N,181.23,181.0891494,4.1,15.8,213,0,1,0,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Ethanone, 1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)-",,640096,"1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)ethanone",C1=CC(=CC=C1CC(=O)C2=C(C=C(C=C2)O)O)O,"InChI=1S/C14H12O4/c15-10-3-1-9(2-4-10)7-13(17)12-6-5-11(16)8-14(12)18/h1-6,8,15-16,18H,7H2",KLFCJXAPIFIIFR-UHFFFAOYSA-N,C14H12O4,244.24,244.0735589,2.7,77.8,284,0,3,4,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Ethanone, 2-(4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)-",,253300,"2-(4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone",COC1=CC=C(C=C1)CC(=O)C2=C(C=C(C=C2O)O)O,"InChI=1S/C15H14O5/c1-20-11-4-2-9(3-5-11)6-12(17)15-13(18)7-10(16)8-14(15)19/h2-5,7-8,16,18-19H,6H2,1H3",KYODHQXYXKDRTF-UHFFFAOYSA-N,C15H14O5,274.27,274.0841235,2.7,87,312,0,3,5,4,20,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
TRI-O-TOLYLPHOSPHINE,006163-58-2,80271,tris(2-methylphenyl)phosphane,CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3C,"InChI=1S/C21H21P/c1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3/h4-15H,1-3H3",COIOYMYWGDAQPM-UHFFFAOYSA-N,C21H21P,304.4,304.1380877,5.7,0,286,0,0,0,3,22,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
(PENTAFLUOROPHENYL)DIPHENYLPHOSPHINE,005525-95-1,300563,"(2,3,4,5,6-pentafluorophenyl)-diphenylphosphane",C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C(=C(C(=C3F)F)F)F)F,InChI=1S/C18H10F5P/c19-13-14(20)16(22)18(17(23)15(13)21)24(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,KUTXTUCJQJPJBH-UHFFFAOYSA-N,C18H10F5P,352.2,352.0440281,5.1,0,363,0,0,5,3,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHINE, TRIS(3-METHYLPHENYL)-",006224-63-1,80362,tris(3-methylphenyl)phosphane,CC1=CC(=CC=C1)P(C2=CC=CC(=C2)C)C3=CC=CC(=C3)C,"InChI=1S/C21H21P/c1-16-7-4-10-19(13-16)22(20-11-5-8-17(2)14-20)21-12-6-9-18(3)15-21/h4-15H,1-3H3",LFNXCUNDYSYVJY-UHFFFAOYSA-N,C21H21P,304.4,304.1380877,5.7,0,286,0,0,0,3,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"OXIRANECARBOXYLIC ACID, 3-PHENYL-, ETHYL ESTER",000121-39-1,8469,ethyl 3-phenyloxirane-2-carboxylate,CCOC(=O)C1C(O1)C2=CC=CC=C2,"InChI=1S/C11H12O3/c1-2-13-11(12)10-9(14-10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3",GOMAKLPNAAZVCJ-UHFFFAOYSA-N,C11H12O3,192.21,192.0786442,1.7,38.8,209,0,0,3,4,14,"greater than 200 °F (NTP, 1992)","509 to 518 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Oxirane, 2-methyl-2-phenyl-",2085-88-3,16398,2-methyl-2-phenyloxirane,CC1(CO1)C2=CC=CC=C2,"InChI=1S/C9H10O/c1-9(7-10-9)8-5-3-2-4-6-8/h2-6H,7H2,1H3",MRXPNWXSFCODDY-UHFFFAOYSA-N,C9H10O,134.17,134.0731649,1.6,12.5,127,0,0,1,1,10,,,0,1,0,1,0,1,0,1,0,0,1,0,0,0,0,0,1,0,0,1
"Benzene, 1-(epoxyethyl)-4-nitro-",6388-74-5,92228,2-(4-nitrophenyl)oxirane,C1C(O1)C2=CC=C(C=C2)[N+](=O)[O-],"InChI=1S/C8H7NO3/c10-9(11)7-3-1-6(2-4-7)8-5-12-8/h1-4,8H,5H2",YKIUTLHCSNCTDZ-UHFFFAOYSA-N,C8H7NO3,165.15,165.0425931,1.2,58.4,181,0,0,3,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Oxiranemethanol, 3-(4-nitrophenyl)-, trans-(-)-",1885-07-0,160599,"[(2S,3S)-3-(4-nitrophenyl)oxiran-2-yl]methanol",C1=CC(=CC=C1[C@H]2[C@@H](O2)CO)[N+](=O)[O-],"InChI=1S/C9H9NO4/c11-5-8-9(14-8)6-1-3-7(4-2-6)10(12)13/h1-4,8-9,11H,5H2/t8-,9-/m0/s1",TVWSYFXHQPGITR-IUCAKERBSA-N,C9H9NO4,195.17,195.0531578,0.6,78.6,219,0,1,4,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzene, 1-chloro-4-(epoxyethyl)-",2788-86-5,197010,2-(4-chlorophenyl)oxirane,C1C(O1)C2=CC=C(C=C2)Cl,"InChI=1S/C8H7ClO/c9-7-3-1-6(2-4-7)8-5-10-8/h1-4,8H,5H2",IBWLXNDOMYKTAD-UHFFFAOYSA-N,C8H7ClO,154.59,154.0185425,2.2,12.5,118,0,0,1,1,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,1,0,1
"2-PROPENOIC ACID, METHYL ESTER",066492-51-1,171789,"(5-ethyl-1,3-dioxan-5-yl)methyl prop-2-enoate",CCC1(COCOC1)COC(=O)C=C,"InChI=1S/C10H16O4/c1-3-9(11)14-7-10(4-2)5-12-8-13-6-10/h3H,1,4-8H2,2H3",STGXUBIZGYMIRM-UHFFFAOYSA-N,C10H16O4,200.23,200.104859,1.3,44.8,206,0,0,4,5,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"2-VINYL-1,3-DIOXANE",005935-25-1,80043,"2-ethenyl-1,3-dioxane",C=CC1OCCCO1,"InChI=1S/C6H10O2/c1-2-6-7-4-3-5-8-6/h2,6H,1,3-5H2",MBUIVAAHRBEDCW-UHFFFAOYSA-N,C6H10O2,114.14,114.0680796,0.8,18.5,74,0,0,2,1,8,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
BARBITURIC ACID,000067-52-7,6211,"1,3-diazinane-2,4,6-trione",C1C(=O)NC(=O)NC1=O,"InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)",HNYOPLTXPVRDBG-UHFFFAOYSA-N,C4H4N2O3,128.09,128.022192,-1.5,75.3,168,0,2,3,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SECOBARBITAL,000076-73-3,5193,"5-pentan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione",CCCC(C)C1(C(=O)NC(=O)NC1=O)CC=C,"InChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)",KQPKPCNLIDLUMF-UHFFFAOYSA-N,C12H18N2O3,238.28,238.1317424,2,75.3,343,0,2,3,5,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"7-QUINOLINOL, 1,2,3,4-TETRAHYDRO-",058196-33-1,93980,"1,2,3,4-tetrahydroquinolin-7-ol",C1CC2=C(C=C(C=C2)O)NC1,"InChI=1S/C9H11NO/c11-8-4-3-7-2-1-5-10-9(7)6-8/h3-4,6,10-11H,1-2,5H2",HJJRGZMJZDSMDB-UHFFFAOYSA-N,C9H11NO,149.19,149.084064,1.9,32.3,138,0,2,2,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"8-Quinolinol, 1,2,3,4-tetrahydro-2-methyl-",81485-78-1,20847991,"2-methyl-1,2,3,4-tetrahydroquinolin-8-ol;hydrochloride",CC1CCC2=C(N1)C(=CC=C2)O.Cl,"InChI=1S/C10H13NO.ClH/c1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h2-4,7,11-12H,5-6H2,1H3;1H",RJJOGGCZHGESJX-UHFFFAOYSA-N,C10H14ClNO,199.68,199.0763918,,32.3,160,0,3,2,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"QUINOLINE, 1,2,3,4-TETRAHYDRO-6-METHYL-",000091-61-2,66678,"6-methyl-1,2,3,4-tetrahydroquinoline",CC1=CC2=C(C=C1)NCCC2,"InChI=1S/C10H13N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h4-5,7,11H,2-3,6H2,1H3",XOKMRXSMOHCNIX-UHFFFAOYSA-N,C10H13N,147.22,147.1047994,2.7,12,133,0,1,1,0,11,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"QUINOLINE, 1,2,3,4-TETRAHYDRO-4-METHYL-",019343-78-3,86854,"4-methyl-1,2,3,4-tetrahydroquinoline",CC1CCNC2=CC=CC=C12,"InChI=1S/C10H13N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-5,8,11H,6-7H2,1H3",OXNZWCYNCDWCJA-UHFFFAOYSA-N,C10H13N,147.22,147.1047994,2.6,12,133,0,1,1,0,11,,,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
3-METHYLBENZOTHIOPHENE,001455-18-1,73817,3-methyl-1-benzothiophene,CC1=CSC2=CC=CC=C12,"InChI=1S/C9H8S/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6H,1H3",SEBRPHZZSLCDRQ-UHFFFAOYSA-N,C9H8S,148.23,148.0346714,3.3,28.2,122,0,0,1,0,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzo(b)thiophene-3-acetic acid, 5-bromo-",17266-45-4,205059,2-(5-bromo-1-benzothiophen-3-yl)acetic acid,C1=CC2=C(C=C1Br)C(=CS2)CC(=O)O,"InChI=1S/C10H7BrO2S/c11-7-1-2-9-8(4-7)6(5-14-9)3-10(12)13/h1-2,4-5H,3H2,(H,12,13)",ZCOAKUJOOQOKHY-UHFFFAOYSA-N,C10H7BrO2S,271.13,269.93501,3.1,65.5,234,0,1,3,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, 3-benzo(b)thienyl-",1131-09-5,70799,2-(1-benzothiophen-3-yl)acetic acid,C1=CC=C2C(=C1)C(=CS2)CC(=O)O,"InChI=1S/C10H8O2S/c11-10(12)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6H,5H2,(H,11,12)",VFZQJKXVHYZXMM-UHFFFAOYSA-N,C10H8O2S,192.24,192.0245007,2.4,65.5,205,0,1,3,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NAPHTHOL AS-D CHLOROACETATE,035245-26-2,160247,[3-[(2-methylphenyl)carbamoyl]naphthalen-2-yl] 2-chloroacetate,CC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C=C2OC(=O)CCl,"InChI=1S/C20H16ClNO3/c1-13-6-2-5-9-17(13)22-20(24)16-10-14-7-3-4-8-15(14)11-18(16)25-19(23)12-21/h2-11H,12H2,1H3,(H,22,24)",FMVKYSCWHDVMGO-UHFFFAOYSA-N,C20H16ClNO3,353.8,353.0818711,4.7,55.4,484,0,1,3,5,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-NAPHTHALENECARBOXAMIDE, 7-BROMO-N-(2-METHOXYPHENYL)-3-(PHOSPHONOOXY)-",001919-91-1,74715,[6-bromo-3-[(2-methoxyphenyl)carbamoyl]naphthalen-2-yl] dihydrogen phosphate,COC1=CC=CC=C1NC(=O)C2=C(C=C3C=CC(=CC3=C2)Br)OP(=O)(O)O,"InChI=1S/C18H15BrNO6P/c1-25-16-5-3-2-4-15(16)20-18(21)14-9-12-8-13(19)7-6-11(12)10-17(14)26-27(22,23)24/h2-10H,1H3,(H,20,21)(H2,22,23,24)",HUXIAXQSTATULQ-UHFFFAOYSA-N,C18H15BrNO6P,452.2,450.98204,3,105,572,0,3,6,5,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-NAPHTHALENECARBOXAMIDE, N-(2-ETHOXYPHENYL)-3-HYDROXY-",000092-74-0,66716,N-(2-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide,CCOC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C=C2O,"InChI=1S/C19H17NO3/c1-2-23-18-10-6-5-9-16(18)20-19(22)15-11-13-7-3-4-8-14(13)12-17(15)21/h3-12,21H,2H2,1H3,(H,20,22)",NXIGDUAONGBUKR-UHFFFAOYSA-N,C19H17NO3,307.3,307.1208434,4.5,58.6,400,0,2,3,4,23,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-NAPHTHALENECARBOXAMIDE, N-(4-ETHOXYPHENYL)-3-HYDROXY-",004711-68-6,78443,N-(4-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide,CCOC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2O,"InChI=1S/C19H17NO3/c1-2-23-16-9-7-15(8-10-16)20-19(22)17-11-13-5-3-4-6-14(13)12-18(17)21/h3-12,21H,2H2,1H3,(H,20,22)",FYJKEJZGNQVNLC-UHFFFAOYSA-N,C19H17NO3,307.3,307.1208434,4.5,58.6,392,0,2,3,4,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-NAPHTHALENECARBOXAMIDE, 3-HYDROXY-N-(3-NITROPHENYL)-",000135-65-9,67277,3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide,C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])O,"InChI=1S/C17H12N2O4/c20-16-9-12-5-2-1-4-11(12)8-15(16)17(21)18-13-6-3-7-14(10-13)19(22)23/h1-10,20H,(H,18,21)",YZJSKRBKHCLMQC-UHFFFAOYSA-N,C17H12N2O4,308.29,308.0797069,4,95.2,450,0,2,4,2,23,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-NAPHTHALENECARBOXAMIDE, N-(5-CHLORO-2,4-DIMETHOXYPHENYL)-3-HYDROXY-",000092-72-8,66714,"N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide",COC1=CC(=C(C=C1NC(=O)C2=CC3=CC=CC=C3C=C2O)Cl)OC,"InChI=1S/C19H16ClNO4/c1-24-17-10-18(25-2)15(9-14(17)20)21-19(23)13-7-11-5-3-4-6-12(11)8-16(13)22/h3-10,22H,1-2H3,(H,21,23)",XDWATWCCUTYUDE-UHFFFAOYSA-N,C19H16ClNO4,357.8,357.0767857,4.8,67.8,463,0,2,4,4,25,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-NAPHTHALENECARBOXAMIDE, 3-HYDROXY-N-(4-METHOXYPHENYL)-",000092-79-5,66721,3-hydroxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide,COC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2O,"InChI=1S/C18H15NO3/c1-22-15-8-6-14(7-9-15)19-18(21)16-10-12-4-2-3-5-13(12)11-17(16)20/h2-11,20H,1H3,(H,19,21)",UIXFPIHXQQZAGX-UHFFFAOYSA-N,C18H15NO3,293.3,293.1051933,4.2,58.6,379,0,2,3,3,22,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Isoxazolecarboxylic acid, 4-acetyl-5-methyl-, ethyl ester",15911-11-2,27536,"ethyl 4-acetyl-5-methyl-1,2-oxazole-3-carboxylate",CCOC(=O)C1=NOC(=C1C(=O)C)C,"InChI=1S/C9H11NO4/c1-4-13-9(12)8-7(5(2)11)6(3)14-10-8/h4H2,1-3H3",KABXFHWGNZLDTD-UHFFFAOYSA-N,C9H11NO4,197.19,197.0688078,1,69.4,241,0,0,5,4,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Isoxazolecarboxylic acid, 3-methyl-",4857-42-5,76947,"5-methyl-1,2-oxazole-3-carboxylic acid",CC1=CC(=NO1)C(=O)O,"InChI=1S/C5H5NO3/c1-3-2-4(5(7)8)6-9-3/h2H,1H3,(H,7,8)",BNMPIJWVMVNSRD-UHFFFAOYSA-N,C5H5NO3,127.1,127.026943,0.7,63.3,125,0,1,4,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Isoxazolamine, 3-phenyl-N-(phenylmethyl)-N-(3-(1-pyrrolidinyl)propyl)-",86684-40-4,84591,"1,2-oxazol-5-amine",C1=C(ON=C1)N,"InChI=1S/C3H4N2O/c4-3-1-2-5-6-3/h1-2H,4H2",IAXWZYXUKABJAN-UHFFFAOYSA-N,C3H4N2O,84.08,84.03236276,0,52.1,48,0,1,3,0,6,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BRILLIANT GREEN,000633-03-4,12449,"[4-[[4-(diethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium;hydrogen sulfate",CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=CC=C3.OS(=O)(=O)[O-],"InChI=1S/C27H33N2.H2O4S/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4;1-5(2,3)4/h9-21H,5-8H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1",NNBFNNNWANBMTI-UHFFFAOYSA-M,C27H34N2O4S,482.6,482.2239287,,92.1,642,0,1,5,7,34,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"Poly(oxy-1,2-ethanediyl), alpha,alpha',alpha'',alpha'''-(((2-sulfophenyl)methyliumylidene)bis(4,1-phenylenenitrilodi-2,1-ethanediyl))tetrakis(omega-hydroxy-, chloride, monosodium salt",9079-33-8,165785,"sodium;3-[[3-[bis[2-(2-hydroxyethoxy)ethyl]amino]phenyl]-[4-[bis[2-(2-hydroxyethoxy)ethyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate;chloride",C1=CC(=CC(=C1)N(CCOCCO)CCOCCO)C(=C2C=CC(=[N+](CCOCCO)CCOCCO)C=C2)C3=CC(=CC=C3)S(=O)(=O)[O-].[Na+].[Cl-],"InChI=1S/C35H48N2O11S.ClH.Na/c38-15-23-45-19-11-36(12-20-46-24-16-39)32-9-7-29(8-10-32)35(31-4-2-6-34(28-31)49(42,43)44)30-3-1-5-33(27-30)37(13-21-47-25-17-40)14-22-48-26-18-41;;/h1-10,27-28,38-41H,11-26H2;1H;/q;;+1/p-1",AEVYFJJIZBRDSO-UHFFFAOYSA-M,C35H48ClN2NaO11S,763.3,762.2565035,,190,1110,0,4,13,23,51,,,0,0,0,0,0,1,0,1,0,0,1,0,0,0,0,0,0,1,0,0
"4-(3,4-DICHLOROPHENYL)PIPERIDINE HYDROCHLORIDE",941711-46-2,49760723,"4-(3,4-dichlorophenyl)piperidine;hydrochloride",C1CNCCC1C2=CC(=C(C=C2)Cl)Cl.Cl,"InChI=1S/C11H13Cl2N.ClH/c12-10-2-1-9(7-11(10)13)8-3-5-14-6-4-8;/h1-2,7-8,14H,3-6H2;1H",OLLFIIRHBCZFGF-UHFFFAOYSA-N,C11H14Cl3N,266.6,265.019183,,12,180,0,2,1,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperidine, 1-nitroso-4-phenyl-",4/6/52,81163,1-nitroso-4-phenylpiperidine,C1CN(CCC1C2=CC=CC=C2)N=O,"InChI=1S/C11H14N2O/c14-12-13-8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,11H,6-9H2",PLERIDASECPNCJ-UHFFFAOYSA-N,C11H14N2O,190.24,190.1106131,2.6,32.7,182,0,0,3,1,14,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Isoquinoline, 1,2,3,4-tetrahydro-, hydrochloride",14099-81-1,2734717,"1,2,3,4-tetrahydroisoquinoline;hydrochloride",C1CNCC2=CC=CC=C21.Cl,"InChI=1S/C9H11N.ClH/c1-2-4-9-7-10-6-5-8(9)3-1;/h1-4,10H,5-7H2;1H",MGFREDWKELGWML-UHFFFAOYSA-N,C9H12ClN,169.65,169.0658271,,12,111,0,2,1,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Isoquinoline, 1,2,3,4-tetrahydro-6-methoxy-",42923-77-3,39356,"6-methoxy-1,2,3,4-tetrahydroisoquinoline",COC1=CC2=C(CNCC2)C=C1,"InChI=1S/C10H13NO/c1-12-10-3-2-9-7-11-5-4-8(9)6-10/h2-3,6,11H,4-5,7H2,1H3",YYTAYINRPUJPNH-UHFFFAOYSA-N,C10H13NO,163.22,163.099714,1.3,21.3,149,0,1,2,1,12,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-, hydrochloride",12/3/28,6456035,"6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride",COC1=C(C=C2CNCCC2=C1)OC.Cl,"InChI=1S/C11H15NO2.ClH/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2;/h5-6,12H,3-4,7H2,1-2H3;1H",SHOWAGCIRTUYNA-UHFFFAOYSA-N,C11H16ClNO2,229.7,229.0869564,,30.5,186,0,2,3,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-HYDROXYISOQUINOLINE,002439-04-5,30386,isoquinolin-5-ol,C1=CC2=C(C=CN=C2)C(=C1)O,"InChI=1S/C9H7NO/c11-9-3-1-2-7-6-10-5-4-8(7)9/h1-6,11H",CSNXUYRHPXGSJD-UHFFFAOYSA-N,C9H7NO,145.16,145.0527638,1.7,33.1,138,0,1,2,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"8-Isoquinolinol, 7-(4,5-dimethoxy-2-methyl-1-naphthalenyl)-1,2,3,4-tetrahydro-6-methoxy-1,2,3-trimethyl-, (1R,3S,7R)-",,135441711,isoquinolin-8-ol,C1=CC2=C(C=NC=C2)C(=C1)O,"InChI=1S/C9H7NO/c11-9-3-1-2-7-4-5-10-6-8(7)9/h1-6,11H",ZIXWTPREILQLAC-UHFFFAOYSA-N,C9H7NO,145.16,145.0527638,1.7,33.1,138,0,1,2,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Triethylamine, 2-(p-(2-chloro-1,2-diphenylvinyl)phenoxy)-, (Z)-",015690-55-8,1548955,"2-[4-[(Z)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine",CCN(CC)CCOC1=CC=C(C=C1)/C(=C(/C2=CC=CC=C2)\Cl)/C3=CC=CC=C3,"InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/b26-25-",GKIRPKYJQBWNGO-QPLCGJKRSA-N,C26H28ClNO,406,405.1859422,7.2,12.5,481,0,0,2,9,29,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"Ethanol, 2-(4-((1Z)-4-chloro-1,2-diphenyl-1-butenyl)phenoxy)-",128607-22-7,3036505,"2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]ethanol",C1=CC=C(C=C1)/C(=C(/C2=CC=CC=C2)\C3=CC=C(C=C3)OCCO)/CCCl,"InChI=1S/C24H23ClO2/c25-16-15-23(19-7-3-1-4-8-19)24(20-9-5-2-6-10-20)21-11-13-22(14-12-21)27-18-17-26/h1-14,26H,15-18H2/b24-23-",LUMKNAVTFCDUIE-VHXPQNKSSA-N,C24H23ClO2,378.9,378.1386577,6.5,29.5,441,0,1,2,8,27,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-QUINOLINOL, 2-AMINO-",042712-64-1,594793,2-amino-1H-quinolin-4-one,C1=CC=C2C(=C1)C(=O)C=C(N2)N,"InChI=1S/C9H8N2O/c10-9-5-8(12)6-3-1-2-4-7(6)11-9/h1-5H,(H3,10,11,12)",LWGUCIXHBVVATR-UHFFFAOYSA-N,C9H8N2O,160.17,160.0636629,1.1,55.1,235,0,2,3,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Quinolinecarboxylic acid, 8-chloro-4-hydroxy-, ethyl ester",73987-37-8,97160,ethyl 8-chloro-4-oxo-1H-quinoline-3-carboxylate,CCOC(=O)C1=CNC2=C(C1=O)C=CC=C2Cl,"InChI=1S/C12H10ClNO3/c1-2-17-12(16)8-6-14-10-7(11(8)15)4-3-5-9(10)13/h3-6H,2H2,1H3,(H,14,15)",CVTZGJPEFPRNNB-UHFFFAOYSA-N,C12H10ClNO3,251.66,251.0349209,2.6,55.4,367,0,1,4,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"4-Quinolinol, 3-nitro-",,316988,3-nitro-1H-quinolin-4-one,C1=CC=C2C(=C1)C(=O)C(=CN2)[N+](=O)[O-],"InChI=1S/C9H6N2O3/c12-9-6-3-1-2-4-7(6)10-5-8(9)11(13)14/h1-5H,(H,10,12)",ZWISCKSGNCMAQO-UHFFFAOYSA-N,C9H6N2O3,190.16,190.0378421,1.6,74.9,306,0,1,4,0,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CARBOSTYRIL 124,019840-99-4,88277,7-amino-4-methyl-1H-quinolin-2-one,CC1=CC(=O)NC2=C1C=CC(=C2)N,"InChI=1S/C10H10N2O/c1-6-4-10(13)12-9-5-7(11)2-3-8(6)9/h2-5H,11H2,1H3,(H,12,13)",MJXYFLJHTUSJGU-UHFFFAOYSA-N,C10H10N2O,174.2,174.0793129,0.6,55.1,260,0,2,2,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Quinolinecarboxylic acid, 1,2-dihydro-4-hydroxy-1-methyl-2-oxo-, ethyl ester",57513-54-9,54682929,ethyl 4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate,CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)O,"InChI=1S/C13H13NO4/c1-3-18-13(17)10-11(15)8-6-4-5-7-9(8)14(2)12(10)16/h4-7,15H,3H2,1-2H3",IGIHLDXSSGANGR-UHFFFAOYSA-N,C13H13NO4,247.25,247.0844579,1.9,66.8,402,0,1,4,3,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Quinolinecarboxylic acid, 1,2-dihydro-4-chloro-1-methyl-2-oxo-, ethyl ester",75483-04-4,606180,ethyl 4-chloro-1-methyl-2-oxoquinoline-3-carboxylate,CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)Cl,"InChI=1S/C13H12ClNO3/c1-3-18-13(17)10-11(14)8-6-4-5-7-9(8)15(2)12(10)16/h4-7H,3H2,1-2H3",XUJQDJGGHFNYDY-UHFFFAOYSA-N,C13H12ClNO3,265.69,265.0505709,2.3,46.6,405,0,0,3,3,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
5-(TRIFLUOROMETHOXY)ISATIN,169037-23-4,2732752,"5-(trifluoromethoxy)-1H-indole-2,3-dione",C1=CC2=C(C=C1OC(F)(F)F)C(=O)C(=O)N2,"InChI=1S/C9H4F3NO3/c10-9(11,12)16-4-1-2-6-5(3-4)7(14)8(15)13-6/h1-3H,(H,13,14,15)",XHAJMVPMNOBILF-UHFFFAOYSA-N,C9H4F3NO3,231.13,231.0143275,1.8,55.4,328,0,1,6,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ISATIN,000091-56-5,7054,"1H-indole-2,3-dione",C1=CC=C2C(=C1)C(=O)C(=O)N2,"InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)",JXDYKVIHCLTXOP-UHFFFAOYSA-N,C8H5NO2,147.13,147.0320284,0.8,46.2,212,0,1,2,0,11,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Indole-2,3-dione, 5-nitro-",611-09-6,4669250,"5-nitro-1H-indole-2,3-dione",C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=O)N2,"InChI=1S/C8H4N2O4/c11-7-5-3-4(10(13)14)1-2-6(5)9-8(7)12/h1-3H,(H,9,11,12)",UNMYHYODJHKLOC-UHFFFAOYSA-N,C8H4N2O4,192.13,192.0171066,0.5,92,309,0,1,4,0,14,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Indoline-1-acetic acid, 2,3-dioxo-, ethyl ester",41042-21-1,38750,"ethyl 2-(2,3-dioxoindol-1-yl)acetate",CCOC(=O)CN1C2=CC=CC=C2C(=O)C1=O,"InChI=1S/C12H11NO4/c1-2-17-10(14)7-13-9-6-4-3-5-8(9)11(15)12(13)16/h3-6H,2,7H2,1H3",PTKZJSSZZSMJPS-UHFFFAOYSA-N,C12H11NO4,233.22,233.0688078,0.9,63.7,352,0,0,4,4,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Indole-2,3-dione, 5,6-dimethyl-",73816-46-3,52550,"5,6-dimethyl-1H-indole-2,3-dione",CC1=CC2=C(C=C1C)NC(=O)C2=O,"InChI=1S/C10H9NO2/c1-5-3-7-8(4-6(5)2)11-10(13)9(7)12/h3-4H,1-2H3,(H,11,12,13)",BRWIXNVFRUVHEU-UHFFFAOYSA-N,C10H9NO2,175.18,175.0633285,1.6,46.2,262,0,1,2,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3H-PYRAZOL-3-ONE, 4-[(2-CHLOROPHENYL)AZO]-2,4-DIHYDRO-5-METHYL-2-PHENYL-",006407-74-5,110843,4-[(2-chlorophenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one,CC1=NN(C(=O)C1N=NC2=CC=CC=C2Cl)C3=CC=CC=C3,"InChI=1S/C16H13ClN4O/c1-11-15(19-18-14-10-6-5-9-13(14)17)16(22)21(20-11)12-7-3-2-4-8-12/h2-10,15H,1H3",YYKCUFRKHHBXON-UHFFFAOYSA-N,C16H13ClN4O,312.75,312.0777887,3.9,57.4,473,0,0,4,3,22,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONIC ACID, 4-[4,5-DIHYDRO-3-METHYL-5-OXO-4-(PHENYLAZO)-1H-PYRAZOL-1",006359-82-6,23675339,sodium 4-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)benzenesulfonate,CC1=NN(C(=O)C1N=NC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)[O-].[Na+],"InChI=1S/C16H14N4O4S.Na/c1-11-15(18-17-12-5-3-2-4-6-12)16(21)20(19-11)13-7-9-14(10-8-13)25(22,23)24;/h2-10,15H,1H3,(H,22,23,24);/q;+1/p-1",UDTJJVCMRRCRDB-UHFFFAOYSA-M,C16H13N4NaO4S,380.4,380.0555204,,123,662,0,0,7,4,26,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3H-PYRAZOL-3-ONE, 4-[(2,4-DIMETHOXYPHENYL)AZO]-2,4-DIHYDRO-5-METHYL-2-PHENYL-",061550-72-9,108554,"4-[(2,4-dimethoxyphenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one",CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)OC)OC)C3=CC=CC=C3,"InChI=1S/C18H18N4O3/c1-12-17(18(23)22(21-12)13-7-5-4-6-8-13)20-19-15-10-9-14(24-2)11-16(15)25-3/h4-11,17H,1-3H3",BDPUFQZQVPHSCM-UHFFFAOYSA-N,C18H18N4O3,338.4,338.1378905,3.3,75.9,530,0,0,6,5,25,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONIC ACID, 4-[4,5-DIHYDRO-4-[(2-HYDROXY-5-NITROPHENYL)AZO]-3-METHYL",006359-86-0,110829,sodium 4-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate,CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)[N+](=O)[O-])O)C3=CC=C(C=C3)S(=O)(=O)[O-].[Na+],"InChI=1S/C16H13N5O7S.Na/c1-9-15(18-17-13-8-11(21(24)25)4-7-14(13)22)16(23)20(19-9)10-2-5-12(6-3-10)29(26,27)28;/h2-8,15,22H,1H3,(H,26,27,28);/q;+1/p-1",JXOVBZBVMDRWSE-UHFFFAOYSA-M,C16H12N5NaO7S,441.4,441.0355132,,189,797,0,1,10,3,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENAMINIUM, 3-[(4,5-DIHYDRO-3-METHYL-5-OXO-1-PHENYL-1H-PYRAZOL-4-YL)AZO]-N,",068391-31-1,94631,trimethyl-[3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]phenyl]azanium chloride,CC1=NN(C(=O)C1N=NC2=CC(=CC=C2)[N+](C)(C)C)C3=CC=CC=C3.[Cl-],"InChI=1S/C19H22N5O.ClH/c1-14-18(19(25)23(22-14)16-10-6-5-7-11-16)21-20-15-9-8-12-17(13-15)24(2,3)4;/h5-13,18H,1-4H3;1H/q+1;/p-1",NWKBFCIAPOSTKG-UHFFFAOYSA-M,C19H22ClN5O,371.9,371.151288,,57.4,545,0,0,5,4,26,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"BENZOIC ACID, 2-[[4,5-DIHYDRO-3-METHYL-5-OXO-1-(4-SULFOPHENYL)-1H-PYRAZOL-4-YL",006359-83-7,93027,disodium;2-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]benzoate,CC1=NN(C(=O)C1N=NC2=CC=CC=C2C(=O)[O-])C3=CC=C(C=C3)S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C17H14N4O6S.2Na/c1-10-15(19-18-14-5-3-2-4-13(14)17(23)24)16(22)21(20-10)11-6-8-12(9-7-11)28(25,26)27;;/h2-9,15H,1H3,(H,23,24)(H,25,26,27);;/q;2*+1/p-2",RTBLVNSNIFUUFC-UHFFFAOYSA-L,C17H12N4Na2O6S,446.3,446.0272939,,163,763,0,0,9,3,30,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
5-METHYLHYDANTOIN,000616-03-5,69216,"5-methylimidazolidine-2,4-dione",CC1C(=O)NC(=O)N1,"InChI=1S/C4H6N2O2/c1-2-3(7)6-4(8)5-2/h2H,1H3,(H2,5,6,7,8)",VMAQYKGITHDWKL-UHFFFAOYSA-N,C4H6N2O2,114.1,114.0429274,-0.6,58.2,143,0,2,2,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-(2,2-DICHLOROETHENYL)-2,2-DIMETHYLCYCLOPROPANECARBOXYLIC ACID CYANO(4-FLUORO-3-PHENOXYPHENYL)METHYL ESTER",068359-37-5,104926,"[cyano-(4-fluoro-3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate",CC1(C(C1C(=O)OC(C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3)C=C(Cl)Cl)C,"InChI=1S/C22H18Cl2FNO3/c1-22(2)15(11-19(23)24)20(22)21(27)29-18(12-26)13-8-9-16(25)17(10-13)28-14-6-4-3-5-7-14/h3-11,15,18,20H,1-2H3",QQODLKZGRKWIFG-UHFFFAOYSA-N,C22H18Cl2FNO3,434.3,433.064777,6.2,59.3,679,0,0,5,7,29,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1
"CYHALOTHRIN  [3-92-CHLORO-3,3,3-TRIFLURO-1-PROPENYL)-2,2-DIMETHYLCYCLOPROPANEC",068085-85-8,5281873,"[cyano-(3-phenoxyphenyl)methyl] 3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate",CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C(/C(F)(F)F)\Cl)C,"InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-",ZXQYGBMAQZUVMI-UNOMPAQXSA-N,C23H19ClF3NO3,449.8,449.1005556,6.1,59.3,736,0,0,7,7,31,,Does not boil at atmospheric pressure,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"Cyclopropanecarboxylic acid, 3-(2,2-dichlorovinyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester, (1R-trans)-",51877-74-8,43859,"cis-(3-phenoxyphenyl)methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate",CC1([C@@H]([C@H]1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C,"InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/t17-,19+/m1/s1",RLLPVAHGXHCWKJ-MJGOQNOKSA-N,C21H20Cl2O3,391.3,390.0789499,6.5,35.5,521,0,0,3,7,26,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Cyclopropanecarboxylic acid, 3-(2,2-dichlorovinyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester, (1R-cis)-",54774-45-7,40463,"trans-(3-phenoxyphenyl)methyl (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate",CC1([C@H]([C@H]1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C,"InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/t17-,19-/m0/s1",RLLPVAHGXHCWKJ-HKUYNNGSSA-N,C21H20Cl2O3,391.3,390.0789499,6.5,35.5,521,0,0,3,7,26,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
SUMITHRIN,026002-80-2,4767,"(3-phenoxyphenyl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate",CC(=CC1C(C1(C)C)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C,"InChI=1S/C23H26O3/c1-16(2)13-20-21(23(20,3)4)22(24)25-15-17-9-8-12-19(14-17)26-18-10-6-5-7-11-18/h5-14,20-21H,15H2,1-4H3",SBNFWQZLDJGRLK-UHFFFAOYSA-N,C23H26O3,350.4,350.1881947,6.2,35.5,512,0,0,3,7,26,,>290 °C,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,10-PHENANTHROLINE",000066-71-7,1318,"1,10-phenanthroline",C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1,InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H,DGEZNRSVGBDHLK-UHFFFAOYSA-N,C12H8N2,180.2,180.0687483,1.8,25.8,182,0,0,2,0,14,,> 300 °C,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,10-PHENANTHROLINE MONOHYDROCHLORIDE MONOHYDRATE",003829-86-5,73350,"1,10-phenanthroline;hydrochloride",C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.Cl,InChI=1S/C12H8N2.ClH/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-8H;1H,QPXDKQBBJCTNOY-UHFFFAOYSA-N,C12H9ClN2,216.66,216.045426,,25.8,182,0,1,2,0,15,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
NEOCUPROINE HYDRATE,,16211234,"2,9-dimethyl-1,10-phenanthroline;hydrate",CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)C.O,"InChI=1S/C14H12N2.H2O/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;/h3-8H,1-2H3;1H2",MFZBSWSCIWCRKS-UHFFFAOYSA-N,C14H14N2O,226.27,226.1106131,,26.8,227,0,1,3,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANOL, 2-[2-[4-[(4-CHLOROPHENYL)PHENYLMETHYL]-1-PIPERAZINYL]ETHOXY]-, DIHYDR",002192-20-3,91513,2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanol;dihydrochloride,C1CN(CCN1CCOCCO)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl.Cl,"InChI=1S/C21H27ClN2O2.2ClH/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25;;/h1-9,21,25H,10-17H2;2*1H",ANOMHKZSQFYSBR-UHFFFAOYSA-N,C21H29Cl3N2O2,447.8,446.129461,,35.9,376,0,3,4,8,28,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,1,0,1
RHODAMINE 610 PERCHLORATE,080336-54-5,154870,[9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium perchlorate,CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.[O-]Cl(=O)(=O)=O,"InChI=1S/C28H30N2O3.ClHO4/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;2-1(3,4)5/h9-18H,5-8H2,1-4H3;(H,2,3,4,5)",GZFMWASBMSLFDX-UHFFFAOYSA-N,C28H31ClN2O7,543,542.181979,,127,906,0,1,8,7,38,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
C.I. PIGMENT VIOLET 1,001326-03-0,76045754,[9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium;dihydrogen phosphate;dioxomolybdenum;sulfuric acid,CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.OP(=O)(O)[O-].OS(=O)(=O)O.O=[Mo]=O,"InChI=1S/C28H30N2O3.Mo.H3O4P.H2O4S.2O/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;;2*1-5(2,3)4;;/h9-18H,5-8H2,1-4H3;;(H3,1,2,3,4);(H2,1,2,3,4);;",KUSIIMXPGJKPHK-UHFFFAOYSA-N,C28H35MoN2O13PS,766.6,768.065151,,250,960,0,5,14,7,46,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
9-AMINOPHENANTHRENE,000947-73-9,13695,phenanthren-9-amine,C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)N,"InChI=1S/C14H11N/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H,15H2",KIHQWOBUUIPWAN-UHFFFAOYSA-N,C14H11N,193.24,193.0891494,3.7,26,225,0,1,1,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
RETENE,000483-65-8,10222,1-methyl-7-propan-2-ylphenanthrene,CC1=C2C=CC3=C(C2=CC=C1)C=CC(=C3)C(C)C,"InChI=1S/C18H18/c1-12(2)14-7-10-17-15(11-14)8-9-16-13(3)5-4-6-18(16)17/h4-12H,1-3H3",NXLOLUFNDSBYTP-UHFFFAOYSA-N,C18H18,234.3,234.1408506,6.5,0,280,0,0,0,1,18,,"734 to 741 °F at 760 mmHg ; 406 °F at 10 mmHg ; 316-329 °F at 0.2 mmHg (NTP, 1992)",0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
NARINGENIN,000480-41-1,439246,"(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one",C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1",FTVWIRXFELQLPI-ZDUSSCGKSA-N,C15H12O5,272.25,272.0684735,2.4,87,363,0,3,5,1,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-",68682-02-0,509245,"5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one",CC(=CCC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=CC=C(C=C3)O)C,"InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3",LPEPZZAVFJPLNZ-UHFFFAOYSA-N,C20H20O5,340.4,340.1310737,4.3,87,504,0,3,5,3,25,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, di",021829-25-4,4485,"dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate",CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC,"InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3",HYIMSNHJOBLJNT-UHFFFAOYSA-N,C17H18N2O6,346.3,346.1164863,2.2,110,608,0,1,7,5,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"3,5-Pyridinedicarboxylic acid, 2-cyano-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-",075530-68-6,4494,"3-O-methyl 5-O-propan-2-yl 2-cyano-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate",CC1=C(C(C(=C(N1)C#N)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C,"InChI=1S/C19H19N3O6/c1-10(2)28-19(24)15-11(3)21-14(9-20)17(18(23)27-4)16(15)12-6-5-7-13(8-12)22(25)26/h5-8,10,16,21H,1-4H3",FAIIFDPAEUKBEP-UHFFFAOYSA-N,C19H19N3O6,385.4,385.1273853,2.9,134,783,0,1,8,6,28,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(4-(methoxycarbonyl)phenyl)-2,6-d",121497-05-0,984677,"dimethyl 4-(4-methoxycarbonylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate",CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)C(=O)OC)C(=O)OC,"InChI=1S/C19H21NO6/c1-10-14(18(22)25-4)16(15(11(2)20-10)19(23)26-5)12-6-8-13(9-7-12)17(21)24-3/h6-9,16,20H,1-5H3",QFQGWFBVXYYUPD-UHFFFAOYSA-N,C19H21NO6,359.4,359.1368874,2.4,90.9,617,0,1,7,7,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-nitro-4-(2-(trifluoromethyl)phenyl)-, methyl ester, (4S)-",98625-26-4,6603728,"methyl (4S)-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate",CC1=C([C@@H](C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2C(F)(F)F)C(=O)OC,"InChI=1S/C16H15F3N2O4/c1-8-12(15(22)25-3)13(14(21(23)24)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,13,20H,1-3H3/t13-/m0/s1",ZFLWDHHVRRZMEI-ZDUSSCGKSA-N,C16H15F3N2O4,356.3,356.0983915,3.4,84.2,634,0,1,8,3,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, et",039562-70-4,4507,"5-O-ethyl 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate",CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)C,"InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3",PVHUJELLJLJGLN-UHFFFAOYSA-N,C18H20N2O6,360.4,360.1321364,2.9,110,661,0,1,7,6,26,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-phenyl-, diethyl ester",1165-06-6,14420,"diethyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate",CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2)C(=O)OCC)C)C,"InChI=1S/C19H23NO4/c1-5-23-18(21)15-12(3)20-13(4)16(19(22)24-6-2)17(15)14-10-8-7-9-11-14/h7-11,17,20H,5-6H2,1-4H3",VQZSDRXKLXBRHJ-UHFFFAOYSA-N,C19H23NO4,329.4,329.1627082,3.4,64.6,516,0,1,5,7,24,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"OCTAHYDRO-1H-4,7-METHANOINDENE-1,5-DIYLDIMETHANEDIYLBISPROP-2-ENOATE",042594-17-2,3036974,"[8-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate",C=CC(=O)OCC1CCC2C1C3CC(C2C3)COC(=O)C=C,"InChI=1S/C18H24O4/c1-3-16(19)21-9-11-5-6-14-15-8-12(18(11)14)7-13(15)10-22-17(20)4-2/h3-4,11-15,18H,1-2,5-10H2",VEBCLRKUSAGCDF-UHFFFAOYSA-N,C18H24O4,304.4,304.1674592,3.8,52.6,483,0,0,4,8,22,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"(OCTAHYDRO-4,7-METHANO-1H-INDENEDIYL)BIS(METHYLENE)BISMETHACRYLATE",043048-08-4,3036975,"[8-(2-methylprop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl 2-methylprop-2-enoate",CC(=C)C(=O)OCC1CCC2C1C3CC(C2C3)COC(=O)C(=C)C,"InChI=1S/C20H28O4/c1-11(2)19(21)23-9-13-5-6-16-17-8-14(18(13)16)7-15(17)10-24-20(22)12(3)4/h13-18H,1,3,5-10H2,2,4H3",OIUQBTZLCOMNCC-UHFFFAOYSA-N,C20H28O4,332.4,332.1987594,4.6,52.6,564,0,0,4,8,24,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"4,7-METHANO-1H-INDENE-2-CARBOXALDEHYDE, OCTAHYDRO-5-METHOXY-",086803-90-9,163529,"8-methoxytricyclo[5.2.1.02,6]decane-4-carbaldehyde",COC1CC2CC1C3C2CC(C3)C=O,"InChI=1S/C12H18O2/c1-14-12-5-8-4-11(12)10-3-7(6-13)2-9(8)10/h6-12H,2-5H2,1H3",UOGMZEGKCNHMBF-UHFFFAOYSA-N,C12H18O2,194.27,194.1306798,1.4,26.3,251,0,0,2,2,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"BICYCLO[3.1.1]HEPTANE-1-THIOL, 2,6,6-TRIMETHYL-",055511-33-6,108342,"2,6,6-trimethylbicyclo[3.1.1]heptane-1-thiol",CC1CCC2CC1(C2(C)C)S,"InChI=1S/C10H18S/c1-7-4-5-8-6-10(7,11)9(8,2)3/h7-8,11H,4-6H2,1-3H3",YHBWJJQAGNYITO-UHFFFAOYSA-N,C10H18S,170.32,170.1129218,3.4,1,185,0,1,1,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BICYCLO[3.1.1]HEPTANE-2-THIOL, 2,6,6-TRIMETHYL-",023832-18-0,90984,"2,6,6-trimethylbicyclo[3.1.1]heptane-2-thiol",CC1(C2CCC(C1C2)(C)S)C,"InChI=1S/C10H18S/c1-9(2)7-4-5-10(3,11)8(9)6-7/h7-8,11H,4-6H2,1-3H3",ZPUCQOXKFCVYGL-UHFFFAOYSA-N,C10H18S,170.32,170.1129218,3.1,1,185,0,1,1,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,7-METHANO-1H-INDEN-6-OL, 3A,4,5,6,7,7A-HEXAHYDRO-, PROPANOATE",017511-60-3,86579,"8-tricyclo[5.2.1.02,6]dec-3-enyl propanoate",CCC(=O)OC1CC2CC1C3C2C=CC3,"InChI=1S/C13H18O2/c1-2-13(14)15-12-7-8-6-11(12)10-5-3-4-9(8)10/h3-4,8-12H,2,5-7H2,1H3",BLBJUGKATXCWET-UHFFFAOYSA-N,C13H18O2,206.28,206.1306798,2.6,26.3,308,0,0,2,3,15,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Butanoic acid, 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-1-yl ester",113889-23-9,44153588,"3-tricyclo[5.2.1.02,6]dec-4-enyl butanoate",CCCC(=O)OC1C=CC2C1C3CCC2C3,"InChI=1S/C14H20O2/c1-2-3-13(15)16-12-7-6-11-9-4-5-10(8-9)14(11)12/h6-7,9-12,14H,2-5,8H2,1H3",KLEHDRXJJZQKPQ-UHFFFAOYSA-N,C14H20O2,220.31,220.1463299,3.4,26.3,321,0,0,2,4,16,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3H-INDOLIUM, 2-[2-[4-[(2-CYANOETHYL)ETHYLAMINO]-2-METHYLPHENYL]ETHENYL]-1,3,3-",072208-20-9,44145482,"dihydrogen phosphate;3-[N-ethyl-3-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]propanenitrile",CCN(CCC#N)C1=CC(=C(C=C1)/C=C/C2=[N+](C3=CC=CC=C3C2(C)C)C)C.OP(=O)(O)[O-],"InChI=1S/C25H30N3.H3O4P/c1-6-28(17-9-16-26)21-14-12-20(19(2)18-21)13-15-24-25(3,4)22-10-7-8-11-23(22)27(24)5;1-5(2,3)4/h7-8,10-15,18H,6,9,17H2,1-5H3;(H3,1,2,3,4)/q+1;/p-1",WIUVJBSMLKSOOV-UHFFFAOYSA-M,C25H32N3O4P,469.5,469.2130435,,111,700,0,2,6,6,33,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-Pyridineacetamide, alpha-(2-(diisopropylamino)ethyl)-alpha-phenyl-, phosphat",022059-60-5,30928,4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanamide;phosphoric acid,CC(C)N(CCC(C1=CC=CC=C1)(C2=CC=CC=N2)C(=O)N)C(C)C.OP(=O)(O)O,"InChI=1S/C21H29N3O.H3O4P/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19;1-5(2,3)4/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25);(H3,1,2,3,4)",CGDDQFMPGMYYQP-UHFFFAOYSA-N,C21H32N3O5P,437.5,437.2079581,,137,459,0,4,7,8,30,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Pyridineacetamide, alpha-(2-((1-methylethyl)amino)ethyl)-alpha-phenyl-",38236-46-3,107858,2-phenyl-4-(propan-2-ylamino)-2-pyridin-2-ylbutanamide,CC(C)NCCC(C1=CC=CC=C1)(C2=CC=CC=N2)C(=O)N,"InChI=1S/C18H23N3O/c1-14(2)20-13-11-18(17(19)22,15-8-4-3-5-9-15)16-10-6-7-12-21-16/h3-10,12,14,20H,11,13H2,1-2H3,(H2,19,22)",UWNSWIXIVDMCHZ-UHFFFAOYSA-N,C18H23N3O,297.4,297.1841124,1.9,68,352,0,2,3,7,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"Phosphorothioic acid, O-(1-(4-chlorophenyl)-1H-pyrazol-4-yl) O-ethyl S-propyl",089784-60-1,93460,1-(4-chlorophenyl)-4-[ethoxy(propylsulfanyl)phosphoryl]oxypyrazole,CCCSP(=O)(OCC)OC1=CN(N=C1)C2=CC=C(C=C2)Cl,"InChI=1S/C14H18ClN2O3PS/c1-3-9-22-21(18,19-4-2)20-14-10-16-17(11-14)13-7-5-12(15)6-8-13/h5-8,10-11H,3-4,9H2,1-2H3",QHGVXILFMXYDRS-UHFFFAOYSA-N,C14H18ClN2O3PS,360.8,360.0464283,3.8,78.7,383,0,0,5,8,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-PYRAZOL-5-AMINE, 1-(4-CHLOROPHENYL)-3-METHYL-",040401-39-6,170301,2-(4-chlorophenyl)-5-methylpyrazol-3-amine,CC1=NN(C(=C1)N)C2=CC=C(C=C2)Cl,"InChI=1S/C10H10ClN3/c1-7-6-10(12)14(13-7)9-4-2-8(11)3-5-9/h2-6H,12H2,1H3",CLORQKXFDBKDCZ-UHFFFAOYSA-N,C10H10ClN3,207.66,207.056325,2.6,43.8,192,0,1,2,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrazole, 4-amino-1-phenyl-",1128-53-6,121021,1-phenylpyrazol-4-amine,C1=CC=C(C=C1)N2C=C(C=N2)N,"InChI=1S/C9H9N3/c10-8-6-11-12(7-8)9-4-2-1-3-5-9/h1-7H,10H2",ZISOEBMQOZOEOG-UHFFFAOYSA-N,C9H9N3,159.19,159.0796473,1.2,43.8,143,0,1,2,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-ISOBENZOFURANDIONE, 5-FLUORO-",000319-03-9,67572,"5-fluoro-2-benzofuran-1,3-dione",C1=CC2=C(C=C1F)C(=O)OC2=O,InChI=1S/C8H3FO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3H,XVMKZAAFVWXIII-UHFFFAOYSA-N,C8H3FO3,166.11,166.0066221,1.4,43.4,238,0,0,4,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-METHYLPHTHALIC ANHYDRIDE,019438-61-0,88069,"5-methyl-2-benzofuran-1,3-dione",CC1=CC2=C(C=C1)C(=O)OC2=O,"InChI=1S/C9H6O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h2-4H,1H3",ZOXBWJMCXHTKNU-UHFFFAOYSA-N,C9H6O3,162.14,162.031694,1.7,43.4,234,0,0,3,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-ISOBENZOFURANDIONE, 5-NITRO-",005466-84-2,230976,"5-nitro-2-benzofuran-1,3-dione",C1=CC2=C(C=C1[N+](=O)[O-])C(=O)OC2=O,InChI=1S/C8H3NO5/c10-7-5-2-1-4(9(12)13)3-6(5)8(11)14-7/h1-3H,MMVIDXVHQANYAE-UHFFFAOYSA-N,C8H3NO5,193.11,193.0011222,1.1,89.2,307,0,0,5,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5H-Dibenz(b,f)azepine, 5-(3-(dimethylamino)propyl)-10,11-dihydro-",000050-49-7,3696,"3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine",CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31,"InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3",BCGWQEUPMDMJNV-UHFFFAOYSA-N,C19H24N2,280.4,280.1939488,4.8,6.5,291,0,0,2,4,21,,160 °C @ 0.1 MM HG,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5H-Dibenz(b,f)azepine, 10,11-dihydro-5-nitroso-",8/4/58,81960,"11-nitroso-5,6-dihydrobenzo[b][1]benzazepine",C1CC2=CC=CC=C2N(C3=CC=CC=C31)N=O,"InChI=1S/C14H12N2O/c17-15-16-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1-8H,9-10H2",AVXDYTPASFOWQY-UHFFFAOYSA-N,C14H12N2O,224.26,224.094963,4.7,32.7,257,0,0,3,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"5H-Dibenz(b,f)azepine, 10,11-dihydro-3-chloro-5-(3-(dimethylamino)propyl)-",000303-49-1,2801,"3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine",CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl,"InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3",GDLIGKIOYRNHDA-UHFFFAOYSA-N,C19H23ClN2,314.9,314.1549764,5.2,6.5,346,0,0,2,4,22,,160-170 °C at 3.00E-01 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-NITROPHENYL DISULFIDE,000100-32-3,7496,1-nitro-4-[(4-nitrophenyl)disulfanyl]benzene,C1=CC(=CC=C1[N+](=O)[O-])SSC2=CC=C(C=C2)[N+](=O)[O-],InChI=1S/C12H8N2O4S2/c15-13(16)9-1-5-11(6-2-9)19-20-12-7-3-10(4-8-12)14(17)18/h1-8H,KWGZRLZJBLEVFZ-UHFFFAOYSA-N,C12H8N2O4S2,308.3,307.9925491,3.7,142,308,0,0,6,3,20,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
P-TOLYL DISULFIDE,000103-19-5,66027,1-methyl-4-[(4-methylphenyl)disulfanyl]benzene,CC1=CC=C(C=C1)SSC2=CC=C(C=C2)C,"InChI=1S/C14H14S2/c1-11-3-7-13(8-4-11)15-16-14-9-5-12(2)6-10-14/h3-10H,1-2H3",TZOVOULUMXXLOJ-UHFFFAOYSA-N,C14H14S2,246.4,246.0536928,5.1,50.6,167,0,0,2,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PHENYL DISULFIDE,000882-33-7,13436,(phenyldisulfanyl)benzene,C1=CC=C(C=C1)SSC2=CC=CC=C2,InChI=1S/C12H10S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H,GUUVPOWQJOLRAS-UHFFFAOYSA-N,C12H10S2,218.3,218.0223927,4.4,50.6,128,0,0,2,3,14,,310.00 °C. @ 760.00 mm Hg,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"CYCLODODECANE, 1-METHOXY-1-METHYL-",037514-30-0,161949,1-methoxy-1-methylcyclododecane,CC1(CCCCCCCCCCC1)OC,"InChI=1S/C14H28O/c1-14(15-2)12-10-8-6-4-3-5-7-9-11-13-14/h3-13H2,1-2H3",QACBYNLZEUNZSC-UHFFFAOYSA-N,C14H28O,212.37,212.2140155,5.3,9.2,141,0,0,1,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclododecane, chloro-",34039-83-3,141867,chlorocyclododecane,C1CCCCCC(CCCCC1)Cl,"InChI=1S/C12H23Cl/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h12H,1-11H2",GSLYVPRSSKKSQY-UHFFFAOYSA-N,C12H23Cl,202.76,202.1488284,5,0,99,0,0,0,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(4-SULFOPHENYLAZO)1,8-DIHYDROXY-3,6-NAPHTHALENEDISULFONIC ACID, TRISODIUM",023647-14-5,90221,"trisodium;4,5-dihydroxy-3-[(4-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",C1=CC(=CC=C1N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])O)O)S(=O)(=O)[O-].[Na+].[Na+].[Na+],"InChI=1S/C16H12N2O11S3.3Na/c19-12-7-11(31(24,25)26)5-8-6-13(32(27,28)29)15(16(20)14(8)12)18-17-9-1-3-10(4-2-9)30(21,22)23;;;/h1-7,19-20H,(H,21,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3",AEHGQXKBQBMQEK-UHFFFAOYSA-K,C16H9N2Na3O11S3,570.4,569.9061555,,262,979,0,2,13,2,35,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CUPRATE(3-), [5-AMINO-4-HYDROXY-3-[[2-HYDROXY-4-[[2-(SULFOOXY)ETHYL]SULFONYL]P",068039-61-2,106452,"copper;5-amino-4-oxido-3-[[2-oxido-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonate;hydron",[H+].[H+].[H+].C1=CC(=C(C=C1S(=O)(=O)CCOS(=O)(=O)[O-])[O-])N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N)[O-].[Cu+2],"InChI=1S/C18H17N3O14S4.Cu/c19-12-7-11(37(26,27)28)5-9-6-15(38(29,30)31)17(18(23)16(9)12)21-20-13-2-1-10(8-14(13)22)36(24,25)4-3-35-39(32,33)34;/h1-2,5-8,22-23H,3-4,19H2,(H,26,27,28)(H,29,30,31)(H,32,33,34);/q;+2/p-2",FZWXEYCIMUAQBQ-UHFFFAOYSA-L,C18H15CuN3O14S4,689.1,687.873284,,345,1290,0,4,17,6,40,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
C.I. ACID RED 33,003567-66-6,19116,"disodium;5-amino-4-hydroxy-3-phenyldiazenylnaphthalene-2,7-disulfonate",C1=CC=C(C=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N)O.[Na+].[Na+],"InChI=1S/C16H13N3O7S2.2Na/c17-12-8-11(27(21,22)23)6-9-7-13(28(24,25)26)15(16(20)14(9)12)19-18-10-4-2-1-3-5-10;;/h1-8,20H,17H2,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2",LQJVOKWHGUAUHK-UHFFFAOYSA-L,C16H11N3Na2O7S2,467.4,466.9833806,,202,757,0,2,10,2,30,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"2',3',5'-TRIACETYLGUANOSINE",006979-94-8,135465084,"[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl acetate",CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=C(NC3=O)N)OC(=O)C)OC(=O)C,"InChI=1S/C16H19N5O8/c1-6(22)26-4-9-11(27-7(2)23)12(28-8(3)24)15(29-9)21-5-18-10-13(21)19-16(17)20-14(10)25/h5,9,11-12,15H,4H2,1-3H3,(H3,17,19,20,25)/t9-,11-,12-,15-/m1/s1",ULXDFYDZZFYGIY-SDBHATRESA-N,C16H19N5O8,409.35,409.1233626,-0.7,173,743,0,2,10,8,29,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"GUANOSINE 5'-TRIPHOSPHATE DISODIUM SALT, HYDRATE",,135465086,"disodium;[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphono phosphate",C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)O)O)O)N=C(NC2=O)N.[Na+].[Na+],"InChI=1S/C10H16N5O14P3.2Na/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21;;/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18);;/q;2*+1/p-2/t3-,5-,6-,9-;;/m1../s1",FIZIYLKEXVIRHJ-LGVAUZIVSA-L,C10H14N5Na2O14P3,567.14,566.9545497,,300,910,0,6,16,8,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Inosine, 2',3'-dideoxy-",69655-05-6,135398739,"9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one",C1C[C@@H](O[C@@H]1CO)N2C=NC3=C2N=CNC3=O,"InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7+/m0/s1",BXZVVICBKDXVGW-NKWVEPMBSA-N,C10H12N4O3,236.23,236.0909403,-1.2,88.7,348,0,2,5,2,17,,,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,1,0,1,1
5'-GUANYLYLIMIDODIPHOSPHATE TRISODIUM,074812-64-9,136862900,"trisodium;[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-[[hydroxy(oxido)phosphoryl]amino]phosphinate;hydrate",C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)(NP(=O)(O)[O-])[O-])O)O)N=C(NC2=O)N.O.[Na+].[Na+].[Na+],"InChI=1S/C10H17N6O13P3.3Na.H2O/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22;;;;/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24);;;;1H2/q;3*+1;/p-3/t3-,5-,6-,9-;;;;/m1..../s1",AVHZFABRVPIWCT-ZVQJTLEUSA-K,C10H16N6Na3O14P3,606.16,605.963043,,307,909,0,7,17,8,36,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MAGENTA,000632-99-5,12447,"4-[(4-aminophenyl)-(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride",CC1=CC(=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N)C=CC1=N.Cl,"InChI=1S/C20H19N3.ClH/c1-13-12-16(6-11-19(13)23)20(14-2-7-17(21)8-3-14)15-4-9-18(22)10-5-15;/h2-12,23H,21-22H2,1H3;1H",AXDJCCTWPBKUKL-UHFFFAOYSA-N,C20H20ClN3,337.8,337.1345753,,75.9,515,0,4,3,2,24,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
XYLENE CYANOL FF,004463-44-9,23662407,"sodium 4-[(Z)-[4-(ethylamino)-3-methylphenyl]-(4-ethylimino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxy-5-sulfobenzenesulfonate",CCNC1=C(C=C(C=C1)/C(=C/2\C=CC(=NCC)C(=C2)C)/C3=CC(=C(C=C3S(=O)(=O)O)S(=O)(=O)[O-])O)C.[Na+],"InChI=1S/C25H28N2O7S2.Na/c1-5-26-20-9-7-17(11-15(20)3)25(18-8-10-21(27-6-2)16(4)12-18)19-13-22(28)24(36(32,33)34)14-23(19)35(29,30)31;/h7-14,26,28H,5-6H2,1-4H3,(H,29,30,31)(H,32,33,34);/q;+1/p-1/b25-18-,27-21?;",ACZRDWVARWLTRG-QJJJQDATSA-M,C25H27N2NaO7S2,554.6,554.1157378,,173,1150,0,3,9,7,37,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BASIC PARAFUCHSINE,000569-61-9,11292,"4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride",C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N.Cl,"InChI=1S/C19H17N3.ClH/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15;/h1-12,20H,21-22H2;1H",JUQPZRLQQYSMEQ-UHFFFAOYSA-N,C19H18ClN3,323.8,323.1189253,,75.9,457,0,4,3,2,23,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENAMINE, N-ETHYL-4-[[4-(ETHYLAMINO)-3-METHYLPHENYL][4-(ETHYLIMINO)-3-METHY",094349-52-7,163642,"acetic acid;N-ethyl-4-[[4-(ethylamino)-3-methylphenyl]-(4-ethylimino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline",CCNC1=C(C=C(C=C1)C(=C2C=CC(=NCC)C(=C2)C)C3=CC(=C(C=C3)NCC)C)C.CC(=O)O,"InChI=1S/C28H35N3.C2H4O2/c1-7-29-25-13-10-22(16-19(25)4)28(23-11-14-26(30-8-2)20(5)17-23)24-12-15-27(31-9-3)21(6)18-24;1-2(3)4/h10-18,29-30H,7-9H2,1-6H3;1H3,(H,3,4)",ULVODSYPARVTIB-UHFFFAOYSA-N,C30H39N3O2,473.6,473.3042275,,73.7,713,0,3,5,7,35,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"C.I. BASIC VIOLET 1, MOLYBDATETUNGSTATEPHOSPHATE",001325-82-2,14885,"4-[(4-aminophenyl)-(4-methyliminocyclohexa-2,5-dien-1-ylidene)methyl]aniline",CN=C1C=CC(=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N)C=C1,"InChI=1S/C20H19N3/c1-23-19-12-6-16(7-13-19)20(14-2-8-17(21)9-3-14)15-4-10-18(22)11-5-15/h2-13H,21-22H2,1H3",DWDURZSYQTXVIN-UHFFFAOYSA-N,C20H19N3,301.4,301.1578976,3.4,64.4,483,0,2,3,2,23,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"N,N-BIS(2-ETHYLHEXYL)-AR-METHYL-1H-BENZOTRIAZOLE-1-METHANAMINE",094270-86-7,3036907,2-ethyl-N-(2-ethylhexyl)-N-[(4-methylbenzotriazol-1-yl)methyl]hexan-1-amine,CCCCC(CC)CN(CC(CC)CCCC)CN1C2=CC=CC(=C2N=N1)C,"InChI=1S/C24H42N4/c1-6-10-14-21(8-3)17-27(18-22(9-4)15-11-7-2)19-28-23-16-12-13-20(5)24(23)25-26-28/h12-13,16,21-22H,6-11,14-15,17-19H2,1-5H3",DHTAIMJOUCYGOL-UHFFFAOYSA-N,C24H42N4,386.6,386.3409474,7.8,34,384,0,0,3,14,28,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"1H-Benzotriazole-1-acetic acid, ethyl ester",,684169,ethyl 2-(benzotriazol-1-yl)acetate,CCOC(=O)CN1C2=CC=CC=C2N=N1,"InChI=1S/C10H11N3O2/c1-2-15-10(14)7-13-9-6-4-3-5-8(9)11-12-13/h3-6H,2,7H2,1H3",DAWOQVVENZAAPT-UHFFFAOYSA-N,C10H11N3O2,205.21,205.0851266,1.2,57,235,0,0,4,4,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,3,4,6,7,8,9-OCTACHLORODIBENZO-P-DIOXIN",003268-87-9,18636,"1,2,3,4,6,7,8,9-octachlorodibenzo-p-dioxin",C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)OC3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl,InChI=1S/C12Cl8O2/c13-1-2(14)6(18)10-9(5(1)17)21-11-7(19)3(15)4(16)8(20)12(11)22-10,FOIBFBMSLDGNHL-UHFFFAOYSA-N,C12Cl8O2,459.7,459.734751,8.1,18.5,354,0,0,2,0,22,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,3,4,6,7,8-HEPTACHLORODIBENZO-P-DIOXIN",035822-46-9,37270,"1,2,3,4,6,7,8-heptachlorodibenzo-p-dioxin",C1=C2C(=C(C(=C1Cl)Cl)Cl)OC3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl,InChI=1S/C12HCl7O2/c13-2-1-3-10(7(17)4(2)14)21-12-9(19)6(16)5(15)8(18)11(12)20-3/h1H,WCLNVRQZUKYVAI-UHFFFAOYSA-N,C12HCl7O2,425.3,423.776673,7.5,18.5,400,0,0,2,0,21,,,1,0,0,0,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,1
FENTANYL CITRATE (INNOVAR),000990-73-8,13810,"2-hydroxypropane-1,2,3-tricarboxylic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide",CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,"InChI=1S/C22H28N2O.C6H8O7/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-12,21H,2,13-18H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",IVLVTNPOHDFFCJ-UHFFFAOYSA-N,C28H36N2O8,528.6,528.2471661,,156,618,0,4,9,11,38,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"Propionanilide, N-(1-phenethyl-4-piperidyl)-, hydrochloride",1443-54-5,83932,N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;hydrochloride,CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3.Cl,"InChI=1S/C22H28N2O.ClH/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19;/h3-12,21H,2,13-18H2,1H3;1H",LHCBOXPPRUIAQT-UHFFFAOYSA-N,C22H29ClN2O,372.9,372.1968412,,23.6,391,0,1,2,6,26,,,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Decanoic acid, 2-(4-(3-(2-(trifluoromethyl)phenothiazin-10-yl)propyl)- 1-piper",005002-47-1,3388,2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl decanoate,CCCCCCCCCC(=O)OCCN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F,"InChI=1S/C32H44F3N3O2S/c1-2-3-4-5-6-7-8-14-31(39)40-24-23-37-21-19-36(20-22-37)17-11-18-38-27-12-9-10-13-29(27)41-30-16-15-26(25-28(30)38)32(33,34)35/h9-10,12-13,15-16,25H,2-8,11,14,17-24H2,1H3",VIQCGTZFEYDQMR-UHFFFAOYSA-N,C32H44F3N3O2S,591.8,591.3106333,9,61.3,765,0,0,9,16,41,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,1,0,1,1,0,0
"Heptanoic acid, 2-(4-(3-(2-chloro-10H-phenothiazin-10-yl)propyl)-1-piperazinyl)ethyl ester",17528-28-8,62871,2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl heptanoate,CCCCCCC(=O)OCCN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl,"InChI=1S/C28H38ClN3O2S/c1-2-3-4-5-11-28(33)34-21-20-31-18-16-30(17-19-31)14-8-15-32-24-9-6-7-10-26(24)35-27-13-12-23(29)22-25(27)32/h6-7,9-10,12-13,22H,2-5,8,11,14-21H2,1H3",PWEGQJCIAMJJHC-UHFFFAOYSA-N,C28H38ClN3O2S,516.1,515.2373263,7.2,61.3,633,0,0,6,13,35,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,1,0,0
"Phenothiazine, 2-chloro-10-(3-(4-methyl-1-piperazinyl)propyl)-, maleate (1:2)",84-02-6,5281032,bis((Z)-but-2-enedioic acid);2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine,CN1CCN(CC1)CCCN2C3=C(SC4=CC=CC=C24)C=CC(=C3)Cl.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O,"InChI=1S/C20H24ClN3S.2C4H4O4/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24;2*5-3(6)1-2-4(7)8/h2-3,5-8,15H,4,9-14H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-",DSKIOWHQLUWFLG-SPIKMXEPSA-N,C28H32ClN3O8S,606.1,605.1598639,,184,548,0,4,12,8,41,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenothiazine, 2-(ethylthio)-10-(3-(4-methyl-1-piperazinyl)propyl)-, maleate (1:2)",1179-69-7,5282398,bis((Z)-but-2-enedioic acid);2-ethylsulfanyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine,CCSC1=CC2=C(SC3=CC=CC=C3N2CCCN4CCN(CC4)C)C=C1.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O,"InChI=1S/C22H29N3S2.2C4H4O4/c1-3-26-18-9-10-22-20(17-18)25(19-7-4-5-8-21(19)27-22)12-6-11-24-15-13-23(2)14-16-24;2*5-3(6)1-2-4(7)8/h4-5,7-10,17H,3,6,11-16H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-",RVBRTNPNFYFDMZ-SPIKMXEPSA-N,C30H37N3O8S2,631.8,631.2022075,,210,574,0,4,13,10,43,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1
CLOPIDOL,002971-90-6,18087,"3,5-dichloro-2,6-dimethyl-1H-pyridin-4-one",CC1=C(C(=O)C(=C(N1)C)Cl)Cl,"InChI=1S/C7H7Cl2NO/c1-3-5(8)7(11)6(9)4(2)10-3/h1-2H3,(H,10,11)",ZDPIZLCVJAAHHR-UHFFFAOYSA-N,C7H7Cl2NO,192.04,190.9904692,2.6,29.1,252,0,1,2,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"7H-Furo(3,2-g)(1)benzopyran-7-one, 4,9-dimethoxy-",482-27-9,68079,"4,9-dimethoxyfuro[3,2-g]chromen-7-one",COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC,"InChI=1S/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3",DFMAXQKDIGCMTL-UHFFFAOYSA-N,C13H10O5,246.21,246.0528234,1.9,57.9,366,0,0,5,2,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZOIC ACID, 4-(4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL)-",060875-16-3,109029,4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzoic acid,CC1=NN(C(=O)C1)C2=CC=C(C=C2)C(=O)O,"InChI=1S/C11H10N2O3/c1-7-6-10(14)13(12-7)9-4-2-8(3-5-9)11(15)16/h2-5H,6H2,1H3,(H,15,16)",CUGBBQWDGCXWNB-UHFFFAOYSA-N,C11H10N2O3,218.21,218.0691422,0.8,70,343,0,1,4,2,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, 3-(4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL)-",000119-17-5,67060,3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid,CC1=NN(C(=O)C1)C2=CC(=CC=C2)S(=O)(=O)O,"InChI=1S/C10H10N2O4S/c1-7-5-10(13)12(11-7)8-3-2-4-9(6-8)17(14,15)16/h2-4,6H,5H2,1H3,(H,14,15,16)",VEMGKBUHUTYHHA-UHFFFAOYSA-N,C10H10N2O4S,254.26,254.036128,0,95.4,451,0,1,5,2,17,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1H-PYRAZOLE-3-CARBOXYLIC ACID, 4,5-DIHYDRO-5-OXO-1-(4-SULFOPHENYL)-",000118-47-8,67045,5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid,C1C(=NN(C1=O)C2=CC=C(C=C2)S(=O)(=O)O)C(=O)O,"InChI=1S/C10H8N2O6S/c13-9-5-8(10(14)15)11-12(9)6-1-3-7(4-2-6)19(16,17)18/h1-4H,5H2,(H,14,15)(H,16,17,18)",TYCNXOAPQGVAQU-UHFFFAOYSA-N,C10H8N2O6S,284.25,284.0103072,-0.3,133,527,0,2,7,3,19,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONAMIDE, 3-(4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL)-",000089-29-2,66634,3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonamide,CC1=NN(C(=O)C1)C2=CC(=CC=C2)S(=O)(=O)N,"InChI=1S/C10H11N3O3S/c1-7-5-10(14)13(12-7)8-3-2-4-9(6-8)17(11,15)16/h2-4,6H,5H2,1H3,(H2,11,15,16)",ASVVGQURNHNITH-UHFFFAOYSA-N,C10H11N3O3S,253.28,253.0521124,-0.2,101,452,0,1,5,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Fluoren-9-one, 4-amino-",4269-15-2,20267,4-aminofluoren-9-one,C1=CC=C2C(=C1)C3=C(C2=O)C=CC=C3N,"InChI=1S/C13H9NO/c14-11-7-3-6-10-12(11)8-4-1-2-5-9(8)13(10)15/h1-7H,14H2",FFWCEONGEXZNFU-UHFFFAOYSA-N,C13H9NO,195.22,195.0684139,2.4,43.1,276,0,1,2,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-HYDROXY-9-FLUORENONE,006949-73-1,81386,2-hydroxyfluoren-9-one,C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)O,"InChI=1S/C13H8O2/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)12(10)7-8/h1-7,14H",GXUBPHMYNSICJC-UHFFFAOYSA-N,C13H8O2,196.2,196.0524295,3.3,37.3,274,0,1,2,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIPHENYLSILANE,000775-12-2,69888,diphenylsilane,C1=CC=C(C=C1)[SiH2]C2=CC=CC=C2,"InChI=1S/C12H12Si/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H,13H2",VDCSGNNYCFPWFK-UHFFFAOYSA-N,C12H12Si,184.31,184.0708269,,0,116,0,0,0,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"SILANEDIOL, DIPHENYL-, DIACETATE",002565-07-3,75718,[acetyloxy(diphenyl)silyl] acetate,CC(=O)O[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC(=O)C,"InChI=1S/C16H16O4Si/c1-13(17)19-21(20-14(2)18,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,1-2H3",CNOSLBKTVBFPBB-UHFFFAOYSA-N,C16H16O4Si,300.38,300.0817855,,52.6,334,0,0,4,6,21,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
DIARYLIODONIUM HEXAFLUOROANTIMONATE,139301-16-9,16689020,hexafluoroantimony(1-);[4-(2-hydroxytetradecoxy)phenyl]-phenyliodanium,CCCCCCCCCCCCC(COC1=CC=C(C=C1)[I+]C2=CC=CC=C2)O.F[Sb-](F)(F)(F)(F)F,"InChI=1S/C26H38IO2.6FH.Sb/c1-2-3-4-5-6-7-8-9-10-14-17-25(28)22-29-26-20-18-24(19-21-26)27-23-15-12-11-13-16-23;;;;;;;/h11-13,15-16,18-21,25,28H,2-10,14,17,22H2,1H3;6*1H;/q+1;;;;;;;+5/p-6",UUBSKBMYMSQFGN-UHFFFAOYSA-H,C26H38F6IO2Sb,745.2,744.08588,,29.5,424,0,1,9,16,36,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
BIS(4-DODECYLPHENYL)IODONIUM (OC-6-11)-HEXAFLUOROANTIMONATE(1-),071786-70-4,22726239,bis(4-dodecylphenyl)iodanium;hexafluoroantimony(1-),CCCCCCCCCCCCC1=CC=C(C=C1)[I+]C2=CC=C(C=C2)CCCCCCCCCCCC.F[Sb-](F)(F)(F)(F)F,"InChI=1S/C36H58I.6FH.Sb/c1-3-5-7-9-11-13-15-17-19-21-23-33-25-29-35(30-26-33)37-36-31-27-34(28-32-36)24-22-20-18-16-14-12-10-8-6-4-2;;;;;;;/h25-32H,3-24H2,1-2H3;6*1H;/q+1;;;;;;;+5/p-6",UYZZVQJHJQMDMM-UHFFFAOYSA-H,C36H58F6ISb,853.5,852.25255,,0,478,0,0,7,24,44,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"1(ALPHA), 25-DIHYDROXY-VITAMIN D3*",032222-06-3,5280453,"trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol",C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C,"InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1",GMRQFYUYWCNGIN-NKMMMXOESA-N,C27H44O3,416.6,416.3290453,5.1,60.7,688,0,3,3,6,30,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"9,10-Secocholesta-5,7,10(19)-triene-1,3,24,25-tetrol, (1-alpha,3-beta,5Z,7E,24R)-",56142-94-0,6446280,"trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol",C[C@H](CC[C@H](C(C)(C)O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C,"InChI=1S/C27H44O4/c1-17(8-13-25(30)26(3,4)31)22-11-12-23-19(7-6-14-27(22,23)5)9-10-20-15-21(28)16-24(29)18(20)2/h9-10,17,21-25,28-31H,2,6-8,11-16H2,1,3-5H3/b19-9+,20-10-/t17-,21-,22-,23+,24+,25-,27-/m1/s1",WFZKUWGUJVKMHC-UKBUZQLGSA-N,C27H44O4,432.6,432.3239599,3.9,80.9,721,0,4,4,6,31,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"Benzofuran, 2,3-dihydro-2,2-dimethyl-7-(N-(N-methyl-N-butoxycarbonylaminothio)",065907-30-4,47759,"(2,2-dimethyl-3H-1-benzofuran-7-yl) N-[butoxycarbonyl(methyl)amino]sulfanyl-N-methylcarbamate",CCCCOC(=O)N(C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C,"InChI=1S/C18H26N2O5S/c1-6-7-11-23-16(21)19(4)26-20(5)17(22)24-14-10-8-9-13-12-18(2,3)25-15(13)14/h8-10H,6-7,11-12H2,1-5H3",HAWJXYBZNNRMNO-UHFFFAOYSA-N,C18H26N2O5S,382.5,382.1562431,4.7,93.6,502,0,0,6,8,26,,160 °C at 0.01 mm Hg,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,1,0
"2,3-DIHYDROBENZOFURAN",000496-16-2,10329,"2,3-dihydro-1-benzofuran",C1COC2=CC=CC=C21,"InChI=1S/C8H8O/c1-2-4-8-7(3-1)5-6-9-8/h1-4H,5-6H2",HBEDSQVIWPRPAY-UHFFFAOYSA-N,C8H8O,120.15,120.0575149,2.1,9.2,101,0,0,1,0,9,,188.00 to 189.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"3H-PYRAZOL-3-ONE, 1,2-DIHYDRO-1,5-DIMETHYL-4-(1-METHYLETHYL)-2-PHENYL-",000479-92-5,3778,"1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one",CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C)C,"InChI=1S/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3",PXWLVJLKJGVOKE-UHFFFAOYSA-N,C14H18N2O,230.31,230.1419132,1.7,23.6,340,0,0,2,2,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Antipyrine, 4-(methylamino)-",519-98-2,10618,"1,5-dimethyl-4-(methylamino)-2-phenylpyrazol-3-one",CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC,"InChI=1S/C12H15N3O/c1-9-11(13-2)12(16)15(14(9)3)10-7-5-4-6-8-10/h4-8,13H,1-3H3",JILCEWWZTBBOFS-UHFFFAOYSA-N,C12H15N3O,217.27,217.1215121,0.8,35.6,318,0,1,3,2,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Methanesulfonic acid, (antipyrinylmethylamino)-, monosodium salt",000068-89-3,522325,"sodium [(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate",CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].[Na+],"InChI=1S/C13H17N3O4S.Na/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11;/h4-8H,9H2,1-3H3,(H,18,19,20);/q;+1/p-1",DJGAAPFSPWAYTJ-UHFFFAOYSA-M,C13H16N3NaO4S,333.34,333.0759215,,92.4,552,0,0,6,4,22,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,1,0,0,1,1,0
"3H-PYRAZOL-3-ONE, 4-AMINO-1,2-DIHYDRO-1,5-DIMETHYL-2-PHENYL-, MONOHYDROCHLORID",022198-72-7,72639,"4-amino-1,5-dimethyl-2-phenylpyrazol-3-one;hydrochloride",CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N.Cl,"InChI=1S/C11H13N3O.ClH/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9;/h3-7H,12H2,1-2H3;1H",UZSCVCWALGRUTR-UHFFFAOYSA-N,C11H14ClN3O,239.7,239.0825398,,49.6,305,0,2,3,1,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NICKEL PHTHALOCYANINE,014055-02-8,73295,"2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;nickel(2+)",C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=CC=CC=C8C(=N7)N=C2[N-]3)C9=CC=CC=C94.[Ni+2],InChI=1S/C32H16N8.Ni/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16H;/q-2;+2,LVIYYTJTOKJJOC-UHFFFAOYSA-N,C32H16N8Ni,571.2,570.085134,,79.3,709,0,0,8,0,41,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
VANDYL PHTHALOCYANINE,013930-88-6,2735160,"2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;oxovanadium(2+)",C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=CC=CC=C8C(=N7)N=C2[N-]3)C9=CC=CC=C94.O=[V+2],InChI=1S/C32H16N8.O.V/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;;/h1-16H;;/q-2;;+2,YRZZLAGRKZIJJI-UHFFFAOYSA-N,C32H16N8OV,579.5,579.088665,,93.2,1100,0,0,5,0,42,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
COBALT PHTHALOCYANINE,003317-67-7,76829,"cobalt(2+);2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene",C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=CC=CC=C8C(=N7)N=C2[N-]3)C9=CC=CC=C94.[Co+2],InChI=1S/C32H16N8.Co/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16H;/q-2;+2,MPMSMUBQXQALQI-UHFFFAOYSA-N,C32H16CoN8,571.5,571.082986,,79.3,709,0,0,8,0,41,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"SILVER, [29H,31H-PHTHALOCYANINATO(2-)-N29,N30,N31,N32]-, (SP-4-1)-",054388-56-6,4149912,"2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;silver",C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=CC=CC=C8C(=N7)N=C2[N-]3)C9=CC=CC=C94.[Ag],InChI=1S/C32H16N8.Ag/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16H;/q-2;,SALCONSGRAAQKH-UHFFFAOYSA-N,C32H16AgN8-2,620.4,619.05488,,76.2,1080,-2,0,4,0,41,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CAMPESTEROL,000474-62-4,173183,"(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-ol",C[C@H](CC[C@@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",SGNBVLSWZMBQTH-PODYLUTMSA-N,C28H48O,400.7,400.3705162,8.8,20.2,620,0,1,1,5,29,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
25-HYDROXYCHOLESTEROL,002140-46-7,65094,"(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-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",C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,"InChI=1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1",INBGSXNNRGWLJU-ZHHJOTBYSA-N,C27H46O2,402.7,402.3497807,6.8,40.5,636,0,2,2,5,29,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
17A-HYDROXYPREGENENOLONE,000387-79-1,91451,"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",CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O,"InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1",JERGUCIJOXJXHF-TVWVXWENSA-N,C21H32O3,332.5,332.2351449,3.1,57.5,596,0,2,3,1,24,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Pregn-5-en-20-one, 3-beta-chloro-",001906-01-0,200385,"1-[(3S,8S,9S,10R,13S,14S,17S)-3-chloro-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone",CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)Cl)C)C,"InChI=1S/C21H31ClO/c1-13(23)17-6-7-18-16-5-4-14-12-15(22)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1",OIDXWRLKJLJKRZ-QGVNFLHTSA-N,C21H31ClO,334.9,334.2063433,5.5,17.1,552,0,0,1,1,23,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
SOLULAN C-24,027321-96-6,174869,"2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethanol",CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OCCO)C)C,"InChI=1S/C29H50O2/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(31-18-17-30)13-15-28(22,4)27(24)14-16-29(25,26)5/h9,20-21,23-27,30H,6-8,10-19H2,1-5H3",NPYXBHZQVNRAOF-UHFFFAOYSA-N,C29H50O2,430.7,430.3810808,8.4,29.5,639,0,1,2,8,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Hydantoin, 5-ethyl-5-phenyl-, (+)-",65567-34-2,6540813,"(5S)-5-ethyl-5-phenylimidazolidine-2,4-dione",CC[C@@]1(C(=O)NC(=O)N1)C2=CC=CC=C2,"InChI=1S/C11H12N2O2/c1-2-11(8-6-4-3-5-7-8)9(14)12-10(15)13-11/h3-7H,2H2,1H3,(H2,12,13,14,15)/t11-/m0/s1",UDTWZFJEMMUFLC-NSHDSACASA-N,C11H12N2O2,204.22,204.0898776,1.5,58.2,284,0,2,2,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-DIMETHYL-2-IMIDAZOLIDINONE",000080-73-9,6661,"1,3-dimethylimidazolidin-2-one",CN1CCN(C1=O)C,"InChI=1S/C5H10N2O/c1-6-3-4-7(2)5(6)8/h3-4H2,1-2H3",CYSGHNMQYZDMIA-UHFFFAOYSA-N,C5H10N2O,114.15,114.0793129,-0.5,23.6,101,0,0,1,0,8,,,0,1,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,1,0
"2-PROPENAMIDE, 2-METHYL-N-[2-(2-OXO-1-IMIDAZOLIDINYL)ETHYL]-",003089-19-8,76531,2-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]prop-2-enamide,CC(=C)C(=O)NCCN1CCNC1=O,"InChI=1S/C9H15N3O2/c1-7(2)8(13)10-3-5-12-6-4-11-9(12)14/h1,3-6H2,2H3,(H,10,13)(H,11,14)",ZHNZXPCKMAJBQQ-UHFFFAOYSA-N,C9H15N3O2,197.23,197.1164267,-0.4,61.4,263,0,2,2,4,14,,,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,1,0,1
PENICILLIN-G POTASSIUM,000113-98-4,23664709,"potassium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)[O-])C.[K+],"InChI=1S/C16H18N2O4S.K/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);/q;+1/p-1/t11-,12+,14-;/m1./s1",IYNDLOXRXUOGIU-LQDWTQKMSA-M,C16H17KN2O4S,372.5,372.0546097,,115,536,0,1,5,4,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"BENZOXAZOLE, 5-CHLORO-2-METHYL-",019219-99-9,29510,"5-chloro-2-methyl-1,3-benzoxazole",CC1=NC2=C(O1)C=CC(=C2)Cl,"InChI=1S/C8H6ClNO/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3",HJCIGAUHTJBHBQ-UHFFFAOYSA-N,C8H6ClNO,167.59,167.0137915,2.8,26,153,0,0,2,0,11,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Benzoxazole, 5-chloro-",17200-29-2,28398,"5-chloro-1,3-benzoxazole",C1=CC2=C(C=C1Cl)N=CO2,InChI=1S/C7H4ClNO/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H,VWMQXAYLHOSRKA-UHFFFAOYSA-N,C7H4ClNO,153.56,152.9981414,2.2,26,131,0,0,2,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(1S, 4S)-(-)-CAMPHOR",000464-48-2,444294,"(1S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one",C[C@]12CC[C@H](C1(C)C)CC2=O,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m0/s1",DSSYKIVIOFKYAU-OIBJUYFYSA-N,C10H16O,152.23,152.1201151,2.2,17.1,217,0,0,1,0,11,"150 °F (NTP, 1992)","399 °F at 760 mmHg (sublimes) (NTP, 1992)",0,0,0,0,0,0,0,1,0,1,1,0,0,0,0,0,1,0,0,1
"9,10-DIBROMO-(+)-CAMPHOR",085706-53-2,572295,"7,7-bis(bromomethyl)-1-methylbicyclo[2.2.1]heptan-2-one",CC12CCC(C1(CBr)CBr)CC2=O,"InChI=1S/C10H14Br2O/c1-9-3-2-7(4-8(9)13)10(9,5-11)6-12/h7H,2-6H2,1H3",ZFHSUGSOGFVDCN-UHFFFAOYSA-N,C10H14Br2O,310.03,309.93909,2.6,17.1,247,0,0,1,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(1R)-6,6-DIMETHYLBICYCLO(3.1.1)HEPT-2-ENE-2-METHANOL",019894-97-4,88301,"[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol",CC1([C@H]2CC=C([C@@H]1C2)CO)C,"InChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3/t8-,9-/m0/s1",RXBQNMWIQKOSCS-IUCAKERBSA-N,C10H16O,152.23,152.1201151,1.6,20.2,203,0,1,1,1,11,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"BICYCLO[3.1.1]HEPT-2-ENE-2-PROPANAL, 6,6-DIMETHYL-",033885-51-7,118111,"3-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)propanal",CC1(C2CC=C(C1C2)CCC=O)C,"InChI=1S/C12H18O/c1-12(2)10-6-5-9(4-3-7-13)11(12)8-10/h5,7,10-11H,3-4,6,8H2,1-2H3",DDFGFKGJBOILQZ-UHFFFAOYSA-N,C12H18O,178.27,178.1357652,2.2,17.1,250,0,0,1,3,13,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"Methanol, (((1-methyl-2-(5-methyl-3-oxazolidinyl)ethoxy)methoxy)methoxy)-",97553-90-7,14650275,"1-(5-methyl-1,3-oxazolidin-3-yl)propan-2-yloxymethoxymethoxymethanol",CC1CN(CO1)CC(C)OCOCOCO,"InChI=1S/C10H21NO5/c1-9-3-11(5-15-9)4-10(2)16-8-14-7-13-6-12/h9-10,12H,3-8H2,1-2H3",OUSIBHBYAIWDFN-UHFFFAOYSA-N,C10H21NO5,235.28,235.1419728,0,60.4,181,0,1,6,8,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-FURANONE, 5-METHYL-",001333-38-6,11558,2-methyl-2H-furan-5-one,CC1C=CC(=O)O1,"InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3",BGLUXFNVVSVEET-UHFFFAOYSA-N,C5H6O2,98.1,98.03677943,0.6,26.3,115,0,0,2,0,7,,208.00 to 210.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,1,0,1
3-METHYL-2(5H)-FURANONE,022122-36-7,30945,4-methyl-2H-furan-5-one,CC1=CCOC1=O,"InChI=1S/C5H6O2/c1-4-2-3-7-5(4)6/h2H,3H2,1H3",VGHBEMPMIVEGJP-UHFFFAOYSA-N,C5H6O2,98.1,98.03677943,0.6,26.3,124,0,0,2,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(5H)-Furanone, 3,4-dichloro-5-hydroxy-",,91487,"3,4-dichloro-2-hydroxy-2H-furan-5-one",C1(C(=C(C(=O)O1)Cl)Cl)O,"InChI=1S/C4H2Cl2O3/c5-1-2(6)4(8)9-3(1)7/h3,7H",ZAKLKBFCSHJIRI-UHFFFAOYSA-N,C4H2Cl2O3,168.96,167.9380993,0.9,46.5,186,0,1,3,0,9,,,0,0,0,1,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,0
2(5H)-Furanone,000497-23-4,10341,2H-furan-5-one,C1C=CC(=O)O1,"InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1-2H,3H2",VIHAEDVKXSOUAT-UHFFFAOYSA-N,C4H4O2,84.07,84.02112937,-0.6,26.3,93,0,0,2,0,6,101 °C (214 °F) (Closed cup),BP: 86-87 °C at 12 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANOIC ACID, 3-MERCAPTO-, (2,4,6-TRIOXO-1,3,5-TRIAZINE-1,3,5(2H,4H,6H)-TRIY",036196-44-8,118925,"2-[2,4,6-trioxo-3,5-bis[2-(3-sulfanylpropanoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl 3-sulfanylpropanoate",C(CS)C(=O)OCCN1C(=O)N(C(=O)N(C1=O)CCOC(=O)CCS)CCOC(=O)CCS,"InChI=1S/C18H27N3O9S3/c22-13(1-10-31)28-7-4-19-16(25)20(5-8-29-14(23)2-11-32)18(27)21(17(19)26)6-9-30-15(24)3-12-33/h31-33H,1-12H2",CFKONAWMNQERAG-UHFFFAOYSA-N,C18H27N3O9S3,525.6,525.090943,-0.3,143,619,0,3,12,18,33,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, (2,4,6-TRIOXO-1,3,5-TRIAZINE-1,3,5(2H,4H,6H)-TRIYL)TRI-2,1-ETHANEDIYL ESTER",040220-08-4,170286,"2-[2,4,6-trioxo-3,5-bis(2-prop-2-enoyloxyethyl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate",C=CC(=O)OCCN1C(=O)N(C(=O)N(C1=O)CCOC(=O)C=C)CCOC(=O)C=C,"InChI=1S/C18H21N3O9/c1-4-13(22)28-10-7-19-16(25)20(8-11-29-14(23)5-2)18(27)21(17(19)26)9-12-30-15(24)6-3/h4-6H,1-3,7-12H2",YIJYFLXQHDOQGW-UHFFFAOYSA-N,C18H21N3O9,423.4,423.1277793,0.8,140,638,0,0,9,15,30,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"Maleimide, dibromo-N-methyl-",003005-27-4,18155,"3,4-dibromo-1-methylpyrrole-2,5-dione",CN1C(=O)C(=C(C1=O)Br)Br,InChI=1S/C5H3Br2NO2/c1-8-4(9)2(6)3(7)5(8)10/h1H3,CKITYUQKOJMMOI-UHFFFAOYSA-N,C5H3Br2NO2,268.89,268.851,1.3,37.4,222,0,0,2,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1H-PYRROLE-2,5-DIONE, 1-[3-(TRIETHOXYSILYL)PROPYL]-",029602-11-7,122424,"1-(3-triethoxysilylpropyl)pyrrole-2,5-dione",CCO[Si](CCCN1C(=O)C=CC1=O)(OCC)OCC,"InChI=1S/C13H23NO5Si/c1-4-17-20(18-5-2,19-6-3)11-7-10-14-12(15)8-9-13(14)16/h8-9H,4-7,10-11H2,1-3H3",YPKNIURCMPHHJJ-UHFFFAOYSA-N,C13H23NO5Si,301.41,301.1345494,,65.1,337,0,0,5,10,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-(2-HYDROXYETHYL)-1H-PYRROLE-2,5-DIONE",001585-90-6,458487,"1-(2-hydroxyethyl)pyrrole-2,5-dione",C1=CC(=O)N(C1=O)CCO,"InChI=1S/C6H7NO3/c8-4-3-7-5(9)1-2-6(7)10/h1-2,8H,3-4H2",AXTADRUCVAUCRS-UHFFFAOYSA-N,C6H7NO3,141.12,141.0425931,-0.1,57.6,179,0,1,3,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
CHELIDONIC ACID MONOHYDRATE,006003-94-7,51346158,"4-oxopyran-2,6-dicarboxylic acid;hydrate",C1=C(OC(=CC1=O)C(=O)O)C(=O)O.O,"InChI=1S/C7H4O6.H2O/c8-3-1-4(6(9)10)13-5(2-3)7(11)12;/h1-2H,(H,9,10)(H,11,12);1H2",KJZJAKSEIQOKAK-UHFFFAOYSA-N,C7H6O7,202.12,202.0113525,,102,316,0,3,7,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"4H-PYRAN-4-ONE, 3-HYDROXY-",000496-63-9,68129,3-hydroxypyran-4-one,C1=COC=C(C1=O)O,"InChI=1S/C5H4O3/c6-4-1-2-8-3-5(4)7/h1-3,7H",VEYIMQVTPXPUHA-UHFFFAOYSA-N,C5H4O3,112.08,112.016044,0,46.5,167,0,1,3,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
KOJIC ACID,000501-30-4,3840,5-hydroxy-2-(hydroxymethyl)pyran-4-one,C1=C(OC=C(C1=O)O)CO,"InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2",BEJNERDRQOWKJM-UHFFFAOYSA-N,C6H6O4,142.11,142.0266087,-0.9,66.8,214,0,2,4,1,10,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Luteinizing hormone-releasing factor (pig), acetate (salt)",034973-08-5,11980076,acetic acid;(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide,CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6.CC(=O)O,"InChI=1S/C55H75N17O13.C2H4O2/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36;1-2(3)4/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60);1H3,(H,3,4)/t36-,37-,38-,39-,40-,41-,42-,43-;/m0./s1",NGCGMRBZPXEPOZ-HBBGHHHDSA-N,C57H79N17O15,1242.3,1241.594155,,512,2420,0,17,17,31,89,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"Luteinizing hormone releasing factor (pig), 9-(N-ethyl-L-prolinamide)-10-degly",066002-66-2,23724907,acetic acid;(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide,CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6.CC(=O)O,"InChI=1S/C55H76N16O12.C2H4O2/c1-4-59-53(82)44-12-8-20-71(44)54(83)38(11-7-19-60-55(56)57)66-49(78)39(21-30(2)3)65-46(75)27-62-47(76)40(22-31-13-15-34(73)16-14-31)67-52(81)43(28-72)70-50(79)41(23-32-25-61-36-10-6-5-9-35(32)36)68-51(80)42(24-33-26-58-29-63-33)69-48(77)37-17-18-45(74)64-37;1-2(3)4/h5-6,9-10,13-16,25-26,29-30,37-44,61,72-73H,4,7-8,11-12,17-24,27-28H2,1-3H3,(H,58,63)(H,59,82)(H,62,76)(H,64,74)(H,65,75)(H,66,78)(H,67,81)(H,68,80)(H,69,77)(H,70,79)(H4,56,57,60);1H3,(H,3,4)/t37-,38-,39-,40-,41-,42-,43-,44-;/m0./s1",ZVTCYOIDKTXKGH-UYRFKBGYSA-N,C57H80N16O14,1213.3,1212.603991,,469,2310,0,16,16,30,87,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"2-NAPHTHALENECARBOXYLIC ACID, 3-HYDROXY-4-(PHENYLAZO)-, CALCIUM SALT (2:1)",006371-76-2,135565537,calcium bis(3-carboxy-1-phenyldiazenylnaphthalen-2-olate),C1=CC=C(C=C1)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)O)[O-].C1=CC=C(C=C1)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)O)[O-].[Ca+2],"InChI=1S/2C17H12N2O3.Ca/c2*20-16-14(17(21)22)10-11-6-4-5-9-13(11)15(16)19-18-12-7-2-1-3-8-12;/h2*1-10,20H,(H,21,22);/q;;+2/p-2",CYHOWEBNQPOWEI-UHFFFAOYSA-L,C34H22CaN4O6,622.6,622.1165253,,170,420,0,2,10,6,45,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"CHROMATE(1-), [1-[(2-HYDROXY-4-NITROPHENYL)AZO]-2-NAPHTHALENOLATO(2-)][1-[(2-H",059307-49-2,154734668,sodium;chromium(3+);1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate;1-[(5-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate,C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C=C3)[N+](=O)[O-])[O-])[O-].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)[N+](=O)[O-])[O-])[O-].[Na+].[Cr+3],"InChI=1S/2C16H11N3O4.Cr.Na/c20-14-8-5-10-3-1-2-4-12(10)16(14)18-17-13-7-6-11(19(22)23)9-15(13)21;20-14-8-6-11(19(22)23)9-13(14)17-18-16-12-4-2-1-3-10(12)5-7-15(16)21;;/h2*1-9,20-21H;;/q;;+3;+1/p-4",PLCPJIGMKYOWKV-UHFFFAOYSA-J,C32H18CrN6NaO8,689.5,689.048886,,233,906,0,0,12,4,48,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"CHROMATE(2-), [N-[7-HYDROXY-8-[[2-HYDROXY-5-(METHYLSULFONYL)PHENYL]AZO]-1-NAPH",055039-14-0,11979838,disodium;8-acetamido-1-[(5-methylsulfonyl-2-oxidophenyl)diazenyl]naphthalen-2-olate;chromium(3+);5-nitro-2-oxido-3-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonate,CC(=O)NC1=CC=CC2=C1C(=C(C=C2)[O-])N=NC3=C(C=CC(=C3)S(=O)(=O)C)[O-].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C(=CC(=C3)[N+](=O)[O-])S(=O)(=O)[O-])[O-])[O-].[Na+].[Na+].[Cr+3],"InChI=1S/C19H17N3O5S.C16H11N3O7S.Cr.2Na/c1-11(23)20-14-5-3-4-12-6-8-17(25)19(18(12)14)22-21-15-10-13(28(2,26)27)7-9-16(15)24;20-13-6-5-9-3-1-2-4-11(9)15(13)18-17-12-7-10(19(22)23)8-14(16(12)21)27(24,25)26;;;/h3-10,24-25H,1-2H3,(H,20,23);1-8,20-21H,(H,24,25,26);;;/q;;+3;2*+1/p-5",SDANFUYXESIUKS-UHFFFAOYSA-I,C35H23CrN6Na2O12S2,881.7,881.001581,,325,1350,0,1,16,6,58,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHENOL, 3-METHYL-4-NITRO-, PHOSPHATE (3:1) (ESTER)",068527-98-0,110475,tris(3-methyl-4-nitrophenyl) phosphate,CC1=C(C=CC(=C1)OP(=O)(OC2=CC(=C(C=C2)[N+](=O)[O-])C)OC3=CC(=C(C=C3)[N+](=O)[O-])C)[N+](=O)[O-],"InChI=1S/C21H18N3O10P/c1-13-10-16(4-7-19(13)22(25)26)32-35(31,33-17-5-8-20(23(27)28)14(2)11-17)34-18-6-9-21(24(29)30)15(3)12-18/h4-12H,1-3H3",SNIKDGGXGSYRMO-UHFFFAOYSA-N,C21H18N3O10P,503.4,503.0729808,5.5,182,723,0,0,10,6,35,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 2,6-DIMETHYL-, PHOSPHATE (3:1)",000121-06-2,8460,"tris(2,6-dimethylphenyl) phosphate",CC1=C(C(=CC=C1)C)OP(=O)(OC2=C(C=CC=C2C)C)OC3=C(C=CC=C3C)C,"InChI=1S/C24H27O4P/c1-16-10-7-11-17(2)22(16)26-29(25,27-23-18(3)12-8-13-19(23)4)28-24-20(5)14-9-15-21(24)6/h7-15H,1-6H3",QLORRTLBSJTMSN-UHFFFAOYSA-N,C24H27O4P,410.4,410.1646963,7.2,44.8,461,0,0,4,6,29,,262-264 °C @ 6 mm Hg,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, (1-methylethyl)-, phosphate (3:1)",26967-76-0,75628,tris(4-propan-2-ylphenyl) phosphate,CC(C)C1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C(C)C)OC3=CC=C(C=C3)C(C)C,"InChI=1S/C27H33O4P/c1-19(2)22-7-13-25(14-8-22)29-32(28,30-26-15-9-23(10-16-26)20(3)4)31-27-17-11-24(12-18-27)21(5)6/h7-21H,1-6H3",ANVREEJNGJMLOV-UHFFFAOYSA-N,C27H33O4P,452.5,452.2116465,7.4,44.8,500,0,0,4,9,32,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
TRIPHENYL PHOSPHATE,000115-86-6,8289,triphenyl phosphate,C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3,"InChI=1S/C18H15O4P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H",XZZNDPSIHUTMOC-UHFFFAOYSA-N,C18H15O4P,326.3,326.070796,4.6,44.8,325,0,0,4,6,23,"428 °F (NTP, 1992)","473 °F at 11 mmHg (NTP, 1992)",1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-CYCLOHEXADIENE, 1-METHYL-",001489-56-1,121731,"1-methylcyclohexa-1,3-diene",CC1=CC=CCC1,"InChI=1S/C7H10/c1-7-5-3-2-4-6-7/h2-3,5H,4,6H2,1H3",QMFJIJFIHIDENY-UHFFFAOYSA-N,C7H10,94.15,94.07825032,2.1,0,107,0,0,0,0,7,,118.00 to 120.00 °C. @ 760.00 mm Hg,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1,3-CYCLOHEXADIENE-1-CARBOXALDEHYDE, 2,6,6-TRIMETHYL-",000116-26-7,61041,"2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde",CC1=C(C(CC=C1)(C)C)C=O,"InChI=1S/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H3",SGAWOGXMMPSZPB-UHFFFAOYSA-N,C10H14O,150.22,150.1044651,2.1,17.1,231,0,0,1,1,11,,70.00 °C. @ 1.00 mm Hg,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"1,3-CYCLOHEXADIENE-1-CARBOXYLIC ACID, 2,6,6-TRIMETHYL-, ETHYL ESTER",035044-59-8,118201,"ethyl 2,6,6-trimethylcyclohexa-1,3-diene-1-carboxylate",CCOC(=O)C1=C(C=CCC1(C)C)C,"InChI=1S/C12H18O2/c1-5-14-11(13)10-9(2)7-6-8-12(10,3)4/h6-7H,5,8H2,1-4H3",KYEZYLFPHRVFBF-UHFFFAOYSA-N,C12H18O2,194.27,194.1306798,2.9,26.3,295,0,0,2,3,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
PROSTAGLANDIN B2,013367-85-6,5280881,"(Z)-7-[2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopenten-1-yl]hept-5-enoic acid",CCCCC[C@@H](/C=C/C1=C(C(=O)CC1)C/C=C\CCCC(=O)O)O,"InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12,14,17,21H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)/b7-4-,14-12+/t17-/m0/s1",PRFXRIUZNKLRHM-HKVRTXJWSA-N,C20H30O4,334.4,334.2144094,3.3,74.6,500,0,2,4,12,24,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENAMINE, 3-CHLORO-4-(4-MORPHOLINYL)-",055048-24-3,108661,3-chloro-4-morpholin-4-ylaniline,C1COCCN1C2=C(C=C(C=C2)N)Cl,"InChI=1S/C10H13ClN2O/c11-9-7-8(12)1-2-10(9)13-3-5-14-6-4-13/h1-2,7H,3-6,12H2",BBUAXVLPFRRBQR-UHFFFAOYSA-N,C10H13ClN2O,212.67,212.0716407,1.6,38.5,185,0,1,3,1,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"MORPHOLINE, 4-(2-CHLORO-4-NITROPHENYL)-",055435-71-7,108711,4-(2-chloro-4-nitrophenyl)morpholine,C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])Cl,"InChI=1S/C10H11ClN2O3/c11-9-7-8(13(14)15)1-2-10(9)12-3-5-16-6-4-12/h1-2,7H,3-6H2",ZPKGWYXJULKUEH-UHFFFAOYSA-N,C10H11ClN2O3,242.66,242.0458199,2.1,58.3,253,0,0,4,1,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Colchicine, N-deacetyl-",3476-50-4,18991,"(7S)-7-amino-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one",COC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)N,"InChI=1S/C20H23NO5/c1-23-16-8-6-12-13(10-15(16)22)14(21)7-5-11-9-17(24-2)19(25-3)20(26-4)18(11)12/h6,8-10,14H,5,7,21H2,1-4H3/t14-/m0/s1",HFPMXDMZJUJZBX-AWEZNQCLSA-N,C20H23NO5,357.4,357.1576228,0.9,80,638,0,1,6,4,26,,,0,0,0,1,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0
"Colchicinic acid, trimethyl-",3482-37-9,453131,"(7S)-7-amino-10-hydroxy-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one",COC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)O)N)OC)OC,"InChI=1S/C19H21NO5/c1-23-16-8-10-4-6-13(20)12-9-15(22)14(21)7-5-11(12)17(10)19(25-3)18(16)24-2/h5,7-9,13H,4,6,20H2,1-3H3,(H,21,22)/t13-/m0/s1",IRVWPZRYDQROLU-ZDUSSCGKSA-N,C19H21NO5,343.4,343.1419728,0.9,91,623,0,2,6,3,25,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Colchicine, 10-demethoxy-10-methylthio-",2730-71-4,17648,"N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide",CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC,"InChI=1S/C22H25NO5S/c1-12(24)23-16-8-6-13-10-18(26-2)21(27-3)22(28-4)20(13)14-7-9-19(29-5)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1",CMEGANPVAXDBPL-INIZCTEOSA-N,C22H25NO5S,415.5,415.1453441,1.8,99.2,743,0,1,6,5,29,,,0,0,1,1,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0
DIHYDROCODEINONE (300 MG/100 ML OR 15 MG/DU COMBINATION NONNARCOTIC),000125-29-1,5284569,"(4R,4aR,7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one",CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3C(=O)CC4,"InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3/t11-,12+,17-,18-/m0/s1",LLPOLZWFYMWNKH-CMKMFDCUSA-N,C18H21NO3,299.4,299.1521435,2.2,38.8,509,0,0,4,1,22,9.7 °C (49.5 °F) - closed cup,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"Morphinan-6-one, 4,5-alpha-epoxy-3-methoxy-17-methyl-, tartrate (1:1)",143-71-5,5463977,"(4R,4aR,7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(2R,3R)-2,3-dihydroxybutanedioic acid",CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3C(=O)CC4.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,"InChI=1S/C18H21NO3.C4H6O6/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;5-1(3(7)8)2(6)4(9)10/h3,6,11-12,17H,4-5,7-9H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t11-,12+,17-,18-;1-,2-/m01/s1",OJHZNMVJJKMFGX-BWCYBWMMSA-N,C22H27NO9,449.4,449.1685814,,154,642,0,4,10,4,32,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,1
"Ergoline-8-beta-carboxamide, 2-bromo-9,10-didehydro-N,N-diethyl-6-methyl-",000478-84-2,10171,"(6aR,9R)-5-bromo-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide",CCN(CC)C(=O)[C@H]1CN([C@@H]2CC3=C(NC4=CC=CC(=C34)C2=C1)Br)C,"InChI=1S/C20H24BrN3O/c1-4-24(5-2)20(25)12-9-14-13-7-6-8-16-18(13)15(19(21)22-16)10-17(14)23(3)11-12/h6-9,12,17,22H,4-5,10-11H2,1-3H3/t12-,17-/m1/s1",VKRAXSZEDRWLAG-SJKOYZFVSA-N,C20H24BrN3O,402.3,401.11027,4,39.3,561,0,1,2,3,25,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-beta-Card-20(22)-enolide, 3-beta,5,14,19-tetrahydroxy-",560-54-3,258412,"3-[(3S,5S,8R,9S,10R,13R,14S,17R)-3,5,14-trihydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one",C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@]5([C@@]3(CC[C@@H](C5)O)CO)O,"InChI=1S/C23H34O6/c1-20-6-3-17-18(4-8-22(27)11-15(25)2-7-21(17,22)13-24)23(20,28)9-5-16(20)14-10-19(26)29-12-14/h10,15-18,24-25,27-28H,2-9,11-13H2,1H3/t15-,16+,17-,18+,20+,21-,22-,23-/m0/s1",ZNDMLUUNNNHNKC-HZXDTFASSA-N,C23H34O6,406.5,406.2355388,0.5,107,750,0,4,6,2,29,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-beta-Card-20(22)-enolide, 3-beta,14,16-beta-trihydroxy-, 3-acetate",1059-21-8,56927867,"[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14,16-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] acetate",CC(=O)O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(C[C@@H]([C@@H]4C5=CC(=O)OC5)O)O)C)C,"InChI=1S/C25H36O6/c1-14(26)31-17-6-8-23(2)16(11-17)4-5-19-18(23)7-9-24(3)22(15-10-21(28)30-13-15)20(27)12-25(19,24)29/h10,16-20,22,27,29H,4-9,11-13H2,1-3H3/t16-,17+,18+,19-,20+,22+,23+,24-,25+/m1/s1",IBVUJOOHHPQIOV-YOVVEKLRSA-N,C25H36O6,432.5,432.2511889,2.2,93.1,821,0,2,6,3,31,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DIBENZYLAMINE,000103-49-1,7656,N-benzyl-1-phenylmethanamine,C1=CC=C(C=C1)CNCC2=CC=CC=C2,"InChI=1S/C14H15N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2",BWLUMTFWVZZZND-UHFFFAOYSA-N,C14H15N,197.27,197.1204495,2.7,12,137,0,1,1,4,15,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"Ethylenediamine, N-benzyl-N',N'-dimethyl-N-phenyl-, hydrochloride",2045-52-5,24180706,"N'-benzyl-N,N-dimethyl-N'-phenylethane-1,2-diamine;hydrochloride",CN(C)CCN(CC1=CC=CC=C1)C2=CC=CC=C2.Cl,"InChI=1S/C17H22N2.ClH/c1-18(2)13-14-19(17-11-7-4-8-12-17)15-16-9-5-3-6-10-16;/h3-12H,13-15H2,1-2H3;1H",AJCNOWKYMZKMFV-UHFFFAOYSA-N,C17H23ClN2,290.8,290.1549764,,6.5,227,0,1,2,6,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Glycine, N,2-diphenyl-",12/6/84,19375,2-anilino-2-phenylacetic acid,C1=CC=C(C=C1)C(C(=O)O)NC2=CC=CC=C2,"InChI=1S/C14H13NO2/c16-14(17)13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10,13,15H,(H,16,17)",NFEVMRNCAGDLBK-UHFFFAOYSA-N,C14H13NO2,227.26,227.0946287,3.2,49.3,243,0,2,3,4,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,1-DICHLORO-2-[P-CHLOROPHENYL]-2-[O-CHLOROPHENYL]ETHYLENE",003424-82-6,246598,"1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene",C1=CC=C(C(=C1)C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl,InChI=1S/C14H8Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8H,ZDYJWDIWLRZXDB-UHFFFAOYSA-N,C14H8Cl4,318,317.935061,7,0,301,0,0,0,2,18,,,1,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
OCTOCRYLENE,006197-30-4,22571,"2-ethylhexyl 2-cyano-3,3-diphenylprop-2-enoate",CCCCC(CC)COC(=O)C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C#N,"InChI=1S/C24H27NO2/c1-3-5-12-19(4-2)18-27-24(26)22(17-25)23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19H,3-5,12,18H2,1-2H3",FMJSMJQBSVNSBF-UHFFFAOYSA-N,C24H27NO2,361.5,361.2041791,7.1,50.1,510,0,0,3,10,27,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethylene, 1,1-dichloro-2,2-di-p-tolyl-",1/9/32,21566,"1-[2,2-dichloro-1-(4-methylphenyl)ethenyl]-4-methylbenzene",CC1=CC=C(C=C1)C(=C(Cl)Cl)C2=CC=C(C=C2)C,"InChI=1S/C16H14Cl2/c1-11-3-7-13(8-4-11)15(16(17)18)14-9-5-12(2)6-10-14/h3-10H,1-2H3",MSUWJPYRBHVMHQ-UHFFFAOYSA-N,C16H14Cl2,277.2,276.0472558,6.4,0,264,0,0,0,2,18,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Pyridine, 2-((2-(dimethylamino)ethyl)(p-methoxybenzyl)amino)-, maleate (1:1)",000059-33-6,5284451,"(Z)-but-2-enedioic acid;N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine",CN(C)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2.C(=C\C(=O)O)\C(=O)O,"InChI=1S/C17H23N3O.C4H4O4/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15;5-3(6)1-2-4(7)8/h4-11H,12-14H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-",JXYWFNAQESKDNC-BTJKTKAUSA-N,C21H27N3O5,401.5,401.195071,,103,396,0,2,8,9,29,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)-",137440-93-8,660897,2-(benzylamino)-4-(dimethylamino)-6-methylpyridine-3-carbonitrile,CC1=CC(=C(C(=N1)NCC2=CC=CC=C2)C#N)N(C)C,"InChI=1S/C16H18N4/c1-12-9-15(20(2)3)14(10-17)16(19-12)18-11-13-7-5-4-6-8-13/h4-9H,11H2,1-3H3,(H,18,19)",NKIDELMZCLMHBH-UHFFFAOYSA-N,C16H18N4,266.34,266.1531466,3.5,52,340,0,1,4,4,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 4-chloro-3-(2,5-dimethylpyrrol-1-yl)-",26165-62-8,213323,"4-chloro-3-(2,5-dimethylpyrrol-1-yl)benzoic acid",CC1=CC=C(N1C2=C(C=CC(=C2)C(=O)O)Cl)C,"InChI=1S/C13H12ClNO2/c1-8-3-4-9(2)15(8)12-7-10(13(16)17)5-6-11(12)14/h3-7H,1-2H3,(H,16,17)",RDTROARYSPBJMT-UHFFFAOYSA-N,C13H12ClNO2,249.69,249.0556563,3.3,42.2,287,0,1,2,2,17,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrrole-3-acetic acid, 1-(4-chlorophenyl)-2,5-dimethyl-",42779-82-8,39299,"2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]acetic acid",CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)CC(=O)O,"InChI=1S/C14H14ClNO2/c1-9-7-11(8-14(17)18)10(2)16(9)13-5-3-12(15)4-6-13/h3-7H,8H2,1-2H3,(H,17,18)",SJCRQMUYEQHNTC-UHFFFAOYSA-N,C14H14ClNO2,263.72,263.0713064,3.2,42.2,302,0,1,2,3,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, m-(2,5-dimethylpyrrol-1-yl)-",26180-28-9,213329,"3-(2,5-dimethylpyrrol-1-yl)benzoic acid",CC1=CC=C(N1C2=CC=CC(=C2)C(=O)O)C,"InChI=1S/C13H13NO2/c1-9-6-7-10(2)14(9)12-5-3-4-11(8-12)13(15)16/h3-8H,1-2H3,(H,15,16)",NJPUZFUOUGTNOV-UHFFFAOYSA-N,C13H13NO2,215.25,215.0946287,2.6,42.2,257,0,1,2,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-NITROPHENYL ALPHA-D-GLUCOPYRANOSIDE,003767-28-0,92969,"(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol",C1=CC(=CC=C1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,"InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12+/m1/s1",IFBHRQDFSNCLOZ-ZIQFBCGOSA-N,C12H15NO8,301.25,301.0797664,-0.4,145,354,0,4,8,3,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 4-((tetrahydro-2H-pyran-2-yl)oxy)-",,11745519,4-(oxan-2-yloxy)phenol,C1CCOC(C1)OC2=CC=C(C=C2)O,"InChI=1S/C11H14O3/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h4-7,11-12H,1-3,8H2",GFBCWCDNXDKFRH-UHFFFAOYSA-N,C11H14O3,194.23,194.0942943,2.4,38.7,164,0,1,3,2,14,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ELEUTHEROSIDE B,000118-34-3,5316860,"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxane-3,4,5-triol",COC1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)/C=C/CO,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",QJVXKWHHAMZTBY-GCPOEHJPSA-N,C17H24O9,372.4,372.1420323,-1.3,138,432,0,5,9,7,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Indoline, 6-nitro-",19727-83-4,29757,"6-nitro-2,3-dihydro-1H-indole",C1CNC2=C1C=CC(=C2)[N+](=O)[O-],"InChI=1S/C8H8N2O2/c11-10(12)7-2-1-6-3-4-9-8(6)5-7/h1-2,5,9H,3-4H2",LTNYDSMDSLOMSM-UHFFFAOYSA-N,C8H8N2O2,164.16,164.0585775,1.9,57.9,190,0,1,3,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Indolinecarboxaldehyde, 6-nitro-",73816-58-7,52564,"6-nitro-2,3-dihydroindole-1-carbaldehyde",C1CN(C2=C1C=CC(=C2)[N+](=O)[O-])C=O,"InChI=1S/C9H8N2O3/c12-6-10-4-3-7-1-2-8(11(13)14)5-9(7)10/h1-2,5-6H,3-4H2",MHMYRSLSPGQNPB-UHFFFAOYSA-N,C9H8N2O3,192.17,192.0534921,1.2,66.1,251,0,0,3,0,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"3-Pyrrolidinecarboxylic acid, 1-(4-fluorophenyl)-5-oxo-",56617-43-7,2912652,1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid,C1C(CN(C1=O)C2=CC=C(C=C2)F)C(=O)O,"InChI=1S/C11H10FNO3/c12-8-1-3-9(4-2-8)13-6-7(11(15)16)5-10(13)14/h1-4,7H,5-6H2,(H,15,16)",JYYMPQMWOVXMDK-UHFFFAOYSA-N,C11H10FNO3,223.2,223.0644713,0.6,57.6,300,0,1,4,2,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Pyrrolidinecarboxylic acid, 1-(4-methoxyphenyl)-5-oxo-",56617-47-1,2736758,1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid,COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)O,"InChI=1S/C12H13NO4/c1-17-10-4-2-9(3-5-10)13-7-8(12(15)16)6-11(13)14/h2-5,8H,6-7H2,1H3,(H,15,16)",JIKAEHOGWAHVIJ-UHFFFAOYSA-N,C12H13NO4,235.24,235.0844579,0.5,66.8,310,0,1,4,3,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzothiazole, 2-phenyl-",883-93-2,13439,"2-phenyl-1,3-benzothiazole",C1=CC=C(C=C1)C2=NC3=CC=CC=C3S2,InChI=1S/C13H9NS/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H,XBHOUXSGHYZCNH-UHFFFAOYSA-N,C13H9NS,211.28,211.0455705,4.3,41.1,213,0,0,2,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENAMINE, 4-(6-METHYL-2-BENZOTHIAZOLYL)-",000092-36-4,7087,"4-(6-methyl-1,3-benzothiazol-2-yl)aniline",CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N,"InChI=1S/C14H12N2S/c1-9-2-7-12-13(8-9)17-14(16-12)10-3-5-11(15)6-4-10/h2-8H,15H2,1H3",XRTJYEIMLZALBD-UHFFFAOYSA-N,C14H12N2S,240.33,240.0721196,3.9,67.2,263,0,1,3,1,17,,"813 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzothiazole, 2-(p-(dimethylamino)phenyl)-",10205-56-8,95755,"4-(1,3-benzothiazol-2-yl)-N,N-dimethylaniline",CN(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3S2,"InChI=1S/C15H14N2S/c1-17(2)12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)18-15/h3-10H,1-2H3",HYKGLCSXVAAXNC-UHFFFAOYSA-N,C15H14N2S,254.4,254.0877696,4.4,44.4,274,0,0,3,2,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIS(4-FORMYLPHENYL)AMINE,119001-43-3,231956,4-(4-formyl-N-(4-formylphenyl)anilino)benzaldehyde,C1=CC(=CC=C1C=O)N(C2=CC=C(C=C2)C=O)C3=CC=C(C=C3)C=O,InChI=1S/C21H15NO3/c23-13-16-1-7-19(8-2-16)22(20-9-3-17(14-24)4-10-20)21-11-5-18(15-25)6-12-21/h1-15H,YOXHQRNDWBRUOL-UHFFFAOYSA-N,C21H15NO3,329.3,329.1051933,3.5,54.5,375,0,0,4,6,25,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENEETHANOL, 3-(2H-BENZOTRIAZOL-2-YL)-4-HYDROXY-",096549-95-0,688251,2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenol,C1=CC2=NN(N=C2C=C1)C3=C(C=CC(=C3)CCO)O,"InChI=1S/C14H13N3O2/c18-8-7-10-5-6-14(19)13(9-10)17-15-11-3-1-2-4-12(11)16-17/h1-6,9,18-19H,7-8H2",CHKKZILXOJVMAD-UHFFFAOYSA-N,C14H13N3O2,255.27,255.1007767,3.5,71.2,288,0,2,4,3,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 2-(2H-benzotriazol-2-yl)-6-dodecyl-4-methyl-",23328-53-2,86375,2-(benzotriazol-2-yl)-6-dodecyl-4-methylphenol,CCCCCCCCCCCCC1=C(C(=CC(=C1)C)N2N=C3C=CC=CC3=N2)O,"InChI=1S/C25H35N3O/c1-3-4-5-6-7-8-9-10-11-12-15-21-18-20(2)19-24(25(21)29)28-26-22-16-13-14-17-23(22)27-28/h13-14,16-19,29H,3-12,15H2,1-2H3",VQMHSKWEJGIXGA-UHFFFAOYSA-N,C25H35N3O,393.6,393.2780127,9.6,50.9,432,0,1,3,12,29,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
2- (2-HYDROXY-5-METHYLPHENYL)BENZOTRIAZOLE,002440-22-4,17113,2-(benzotriazol-2-yl)-4-methylphenol,CC1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2,"InChI=1S/C13H11N3O/c1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3",MCPKSFINULVDNX-UHFFFAOYSA-N,C13H11N3O,225.25,225.090212,4.3,50.9,259,0,1,3,1,17,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"s-Triazine, hexahydro-1,3,5-tris(dimethylaminopropyl)-",15875-13-5,85160,"3-[3,5-bis[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine",CN(C)CCCN1CN(CN(C1)CCCN(C)C)CCCN(C)C,"InChI=1S/C18H42N6/c1-19(2)10-7-13-22-16-23(14-8-11-20(3)4)18-24(17-22)15-9-12-21(5)6/h7-18H2,1-6H3",FZQMJOOSLXFQSU-UHFFFAOYSA-N,C18H42N6,342.6,342.3470954,1.6,19.4,248,0,0,6,12,24,,,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-Oxazoline, 2-(p-butylanilino)-, monohydrochloride",,68157,"4,5-dihydro-1,3-oxazole",C1COC=N1,"InChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2",IMSODMZESSGVBE-UHFFFAOYSA-N,C3H5NO,71.08,71.03711378,-0.2,21.6,50,0,0,2,0,5,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Oxazole, 4,5-dihydro-4,4-dimethyl-",30093-99-3,121630,"4,4-dimethyl-5H-1,3-oxazole",CC1(COC=N1)C,"InChI=1S/C5H9NO/c1-5(2)3-7-4-6-5/h4H,3H2,1-2H3",KOAMXHRRVFDWRQ-UHFFFAOYSA-N,C5H9NO,99.13,99.06841391,0.4,21.6,96,0,0,2,0,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"ACETONITRILE, CYCLOHEXYLIDENE-",004435-18-1,97105,2-cyclohexylideneacetonitrile,C1CCC(=CC#N)CC1,"InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h6H,1-5H2",VLRQRRQHXZCEDL-UHFFFAOYSA-N,C8H11N,121.18,121.0891494,2,23.8,151,0,0,1,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Malononitrile, cyclohexylidene-",4354-73-8,20365,2-cyclohexylidenepropanedinitrile,C1CCC(=C(C#N)C#N)CC1,InChI=1S/C9H10N2/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5H2,LFIASOWXJLMZNB-UHFFFAOYSA-N,C9H10N2,146.19,146.0843983,1.9,47.6,242,0,0,2,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3-BUTEN-2-ONE, 4-(2,2-DIMETHYL-6-METHYLENECYCLOHEXYL)-, MONOMETHYL DERIV.",027417-37-4,6365590,"(E)-1-(2,2-dimethyl-6-methylidenecyclohexyl)pent-1-en-3-one",CCC(=O)/C=C/C1C(=C)CCCC1(C)C,"InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9,13H,2,5-7,10H2,1,3-4H3/b9-8+",VBPVRSYPVFNWFV-CMDGGOBGSA-N,C14H22O,206.32,206.1670653,3.7,17.1,284,0,0,1,3,15,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"7-Oxabicyclo(4.1.0)heptane-3,4-dicarboxylic acid, bis(2-ethylhexyl) ester",10138-36-0,202332,"bis(2-ethylhexyl) 7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate",CCCCC(CC)COC(=O)C1CC2C(O2)CC1C(=O)OCC(CC)CCCC,"InChI=1S/C24H42O5/c1-5-9-11-17(7-3)15-27-23(25)19-13-21-22(29-21)14-20(19)24(26)28-16-18(8-4)12-10-6-2/h17-22H,5-16H2,1-4H3",RRDGKBOYQLLJSW-UHFFFAOYSA-N,C24H42O5,410.6,410.3032244,6.4,65.1,461,0,0,5,16,29,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2H-AZEPIN-2-ONE, 1-(3-AMINOPROPYL)HEXAHYDRO-",024566-95-8,90542,1-(3-aminopropyl)azepan-2-one,C1CCC(=O)N(CC1)CCCN,"InChI=1S/C9H18N2O/c10-6-4-8-11-7-3-1-2-5-9(11)12/h1-8,10H2",IZYZHQOYVLYGRW-UHFFFAOYSA-N,C9H18N2O,170.25,170.1419132,-0.3,46.3,147,0,1,2,3,12,,,0,0,0,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
"2H-AZEPIN-2-ONE, 1-ACETYLHEXAHYDRO-",001888-91-1,15904,1-acetylazepan-2-one,CC(=O)N1CCCCCC1=O,"InChI=1S/C8H13NO2/c1-7(10)9-6-4-2-3-5-8(9)11/h2-6H2,1H3",QISSLHPKTCLLDL-UHFFFAOYSA-N,C8H13NO2,155.19,155.0946287,0.7,37.4,177,0,0,2,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2H-Azepin-2-one, hexahydro-6-methyl-",6142-55-8,22520,6-methylazepan-2-one,CC1CCCC(=O)NC1,"InChI=1S/C7H13NO/c1-6-3-2-4-7(9)8-5-6/h6H,2-5H2,1H3,(H,8,9)",XDAWFENPCDYKEA-UHFFFAOYSA-N,C7H13NO,127.18,127.099714,0.8,29.1,111,0,1,1,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIPHENYLPHOSPHORYL AZIDE,026386-88-9,123414,[azido(phenoxy)phosphoryl]oxybenzene,C1=CC=C(C=C1)OP(=O)(N=[N+]=[N-])OC2=CC=CC=C2,"InChI=1S/C12H10N3O3P/c13-14-15-19(16,17-11-7-3-1-4-8-11)18-12-9-5-2-6-10-12/h1-10H",SORGEQQSQGNZFI-UHFFFAOYSA-N,C12H10N3O3P,275.2,275.0459782,4.4,49.9,348,0,0,5,5,19,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHONIC ACID, METHYL-, DIPHENYL ESTER",007526-26-3,82027,[methyl(phenoxy)phosphoryl]oxybenzene,CP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2,"InChI=1S/C13H13O3P/c1-17(14,15-12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h2-11H,1H3",HPUPGAFDTWIMBR-UHFFFAOYSA-N,C13H13O3P,248.21,248.0602313,2.7,35.5,244,0,0,3,4,17,,,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
DIPHENYL CHLOROPHOSPHATE,002524-64-3,75654,[chloro(phenoxy)phosphoryl]oxybenzene,C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)Cl,"InChI=1S/C12H10ClO3P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H",BHIIGRBMZRSDRI-UHFFFAOYSA-N,C12H10ClO3P,268.63,268.0056089,3.5,35.5,249,0,0,3,4,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ZINC, BIS[O,O-BIS(1-METHYLETHYL) PHOSPHORODITHIOATO-S]BIS(CYCLOHEXANAMINE)-, (",052585-16-7,85470754,bis(bis(propan-2-ylsulfanyl)phosphinic acid);bis(cyclohexanamine);zinc,CC(C)SP(=O)(O)SC(C)C.CC(C)SP(=O)(O)SC(C)C.C1CCC(CC1)N.C1CCC(CC1)N.[Zn],"InChI=1S/2C6H13N.2C6H15O2PS2.Zn/c2*7-6-4-2-1-3-5-6;2*1-5(2)10-9(7,8)11-6(3)4;/h2*6H,1-5,7H2;2*5-6H,1-4H3,(H,7,8);",ADMGELSKHBMYFS-UHFFFAOYSA-N,C24H56N2O4P2S4Zn,692.3,690.188959,,228,377,0,4,10,8,37,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
CADMIUM CYCLOHEXANEBUTYRATE,055700-14-6,108757,cadmium(2+);bis(4-cyclohexylbutanoate),C1CCC(CC1)CCCC(=O)[O-].C1CCC(CC1)CCCC(=O)[O-].[Cd+2],"InChI=1S/2C10H18O2.Cd/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;/h2*9H,1-8H2,(H,11,12);/q;;+2/p-2",QLTARLRQJWXGGA-UHFFFAOYSA-L,C20H34CdO4,450.9,452.149075,,80.3,131,0,0,4,6,25,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
MANGANOUS CYCLOHEXANEBUTYRATE,035542-88-2,118837,bis(4-cyclohexylbutanoate);manganese(2+),C1CCC(CC1)CCCC(=O)[O-].C1CCC(CC1)CCCC(=O)[O-].[Mn+2],"InChI=1S/2C10H18O2.Mn/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;/h2*9H,1-8H2,(H,11,12);/q;;+2/p-2",QZKJUBKNJKLMIB-UHFFFAOYSA-L,C20H34MnO4,393.4,393.183753,,80.3,131,0,0,4,6,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Trichothec-9-ene-3-alpha,4-beta,8-alpha,15-tetrol, 12,13-epoxy-, 3,4,15-triacetate,8-isovalerate",21259-21-2,49796734,"[(1S,2R,4S,7R,9R,10R,11S,12S)-10,11-diacetyloxy-2-(acetyloxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate",CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)OC(=O)C)OC(=O)C)C)COC(=O)C,"InChI=1S/C26H36O10/c1-13(2)8-20(30)35-18-10-25(11-31-15(4)27)19(9-14(18)3)36-23-21(33-16(5)28)22(34-17(6)29)24(25,7)26(23)12-32-26/h9,13,18-19,21-23H,8,10-12H2,1-7H3/t18-,19+,21+,22+,23+,24+,25+,26-/m0/s1",NOTOVTQRFFVBSB-VZPCOZJFSA-N,C26H36O10,508.6,508.2308473,1.5,127,987,0,0,10,11,36,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, triacetate, (3-alpha,4-beta)-",4297-61-4,13816962,"[(1S,2R,7R,9R,10R,11S)-10,11-diacetyloxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate",CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H]([C@H]([C@H](C34CO4)O2)OC(=O)C)OC(=O)C)C)COC(=O)C,"InChI=1S/C21H28O8/c1-11-6-7-20(9-25-12(2)22)15(8-11)29-18-16(27-13(3)23)17(28-14(4)24)19(20,5)21(18)10-26-21/h8,15-18H,6-7,9-10H2,1-5H3/t15-,16-,17-,18-,19-,20-,21?/m1/s1",YWQOKOBRSAAKTG-AMTHWPQPSA-N,C21H28O8,408.4,408.1784179,0.8,101,790,0,0,8,7,29,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-alpha,1b-beta,4,4a,7a-alpha,7b,8,9,9a-decahydro-3-(hydroxymethyl)-4a-beta,7b-alpha,9-beta,9a-alpha-tetrahydroxy-1,1,6,8-alpha-tetramethyl-, 3,9,9a-triacetate, (+)-",19891-05-5,499954,"[(1S,2S,6R,10S,11R,13S,14R,15R)-13,14-diacetyloxy-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-8-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methyl acetate",C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)COC(=O)C)O)C)O)OC(=O)C)OC(=O)C,"InChI=1S/C26H34O9/c1-12-8-19-24(31,21(12)30)10-17(11-33-14(3)27)9-18-20-23(6,7)26(20,35-16(5)29)22(34-15(4)28)13(2)25(18,19)32/h8-9,13,18-20,22,31-32H,10-11H2,1-7H3/t13-,18+,19-,20-,22-,24-,25-,26-/m1/s1",LASMKIAVFGUYEG-SEYWVDNQSA-N,C26H34O9,490.5,490.2202827,0.9,136,1070,0,2,9,7,35,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-alpha,1b-beta,4,4a,7a-alpha,7b,8,9,9a-decahydro-4a-beta,7b-alpha,9a-alpha-trihydroxy-3-(hydroxymethyl)-1,1,6,8-alpha-tetramethyl-, 9a-isobutyrate",25090-74-8,107855,"[(1R,2S,6R,10S,11R,13S,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-methylpropanoate",C[C@@H]1C[C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)OC(=O)C(C)C,"InChI=1S/C24H34O6/c1-12(2)20(27)30-23-9-14(4)24(29)16(18(23)21(23,5)6)8-15(11-25)10-22(28)17(24)7-13(3)19(22)26/h7-8,12,14,16-18,25,28-29H,9-11H2,1-6H3/t14-,16+,17-,18-,22-,23+,24-/m1/s1",QSTFRCUXCBXJAW-CYZOKXGXSA-N,C24H34O6,418.5,418.2355388,1.7,104,869,0,3,6,4,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-beta,1b-alpha,4,4a,7a-beta,7b,8,9,9a-decahydro-4a-alpha,7b-beta,9-alpha,9a-beta-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-beta-tetramethyl-, 9a-decanoate 9-(2-methylcrotonate)",59086-92-9,5281391,"[(1S,2S,6R,10S,11R,13S,14R,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-14-[(E)-2-methylbut-2-enoyl]oxy-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] decanoate",CCCCCCCCCC(=O)O[C@@]12[C@@H](C1(C)C)[C@@H]3C=C(C[C@]4([C@H]([C@]3([C@@H]([C@H]2OC(=O)/C(=C/C)/C)C)O)C=C(C4=O)C)O)CO,"InChI=1S/C35H52O8/c1-8-10-11-12-13-14-15-16-27(37)43-35-28(32(35,6)7)25-18-24(20-36)19-33(40)26(17-22(4)29(33)38)34(25,41)23(5)30(35)42-31(39)21(3)9-2/h9,17-18,23,25-26,28,30,36,40-41H,8,10-16,19-20H2,1-7H3/b21-9+/t23-,25+,26-,28-,30-,33-,34-,35-/m1/s1",QWYNFKKVBDGBLL-KFWZAFQTSA-N,C35H52O8,600.8,600.3662186,5.6,130,1210,0,3,8,14,43,,,0,1,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, (8S-cis)-",56390-09-1,65348,"(7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride",C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O.Cl,"InChI=1S/C27H29NO11.ClH/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;1H/t10-,13-,15-,17-,22-,27-;/m0./s1",MWWSFMDVAYGXBV-FGBSZODSSA-N,C27H30ClNO11,580,579.1507385,,206,977,0,7,12,5,40,,,0,0,0,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,0,0
ADRIAMYCIN,023214-92-8,31703,"(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione",C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O,"InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1",AOJJSUZBOXZQNB-TZSSRYMLSA-N,C27H29NO11,543.5,543.1740607,1.3,206,977,0,6,12,5,39,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BENZPHETAMINE HYDROCHLORIDE,005411-22-3,11558159,(2S)-N-benzyl-N-methyl-1-phenylpropan-2-amine;hydrochloride,C[C@@H](CC1=CC=CC=C1)N(C)CC2=CC=CC=C2.Cl,"InChI=1S/C17H21N.ClH/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17;/h3-12,15H,13-14H2,1-2H3;1H/t15-;/m0./s1",ANFSNXAXVLRZCG-RSAXXLAASA-N,C17H22ClN,275.8,275.1440774,,3.2,214,0,1,1,5,19,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Phenethylamine, N-benzyl-alpha-methyl-",1085-42-3,102554,N-benzyl-1-phenylpropan-2-amine,CC(CC1=CC=CC=C1)NCC2=CC=CC=C2,"InChI=1S/C16H19N/c1-14(12-15-8-4-2-5-9-15)17-13-16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3",JLCDKDGHTWGGQM-UHFFFAOYSA-N,C16H19N,225.33,225.1517496,3.7,12,190,0,1,1,5,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenethylamine, N-benzyl-, hydrochloride",3240-91-3,201099,N-benzyl-2-phenylethanamine;hydrochloride,C1=CC=C(C=C1)CCNCC2=CC=CC=C2.Cl,"InChI=1S/C15H17N.ClH/c1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15;/h1-10,16H,11-13H2;1H",WJRAHTYSUHPAAT-UHFFFAOYSA-N,C15H18ClN,247.76,247.1127773,,12,166,0,2,1,5,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzeneethanamine, N-((2-chlorophenyl)methyl)-alpha-methyl-, (+)-",13364-32-4,735998,(2S)-N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine,C[C@@H](CC1=CC=CC=C1)NCC2=CC=CC=C2Cl,"InChI=1S/C16H18ClN/c1-13(11-14-7-3-2-4-8-14)18-12-15-9-5-6-10-16(15)17/h2-10,13,18H,11-12H2,1H3/t13-/m0/s1",LRXXRIXDSAEIOR-ZDUSSCGKSA-N,C16H18ClN,259.77,259.1127773,4.3,12,225,0,1,1,5,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
LASIOCARPINE,000303-34-4,5281735,"[(7S,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2R)-2,3-dihydroxy-2-[(1S)-1-methoxyethyl]-3-methylbutanoate",C/C=C(/C)\C(=O)O[C@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@H](C)OC)(C(C)(C)O)O,"InChI=1S/C21H33NO7/c1-7-13(2)18(23)29-16-9-11-22-10-8-15(17(16)22)12-28-19(24)21(26,14(3)27-6)20(4,5)25/h7-8,14,16-17,25-26H,9-12H2,1-6H3/b13-7-/t14-,16-,17+,21-/m0/s1",QHOZSLCIKHUPSU-LPLKQDONSA-N,C21H33NO7,411.5,411.2257024,0.5,106,699,0,2,8,10,29,,,0,0,0,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"D-erythro-Pentitol, 1,5-dideoxy-4-C-methyl-3-C-((((1S,7aR)-2,3,5,7a-tetrahydro-1-(((2Z)-2-methyl-1-oxo-2-butenyl)oxy)-1H-pyrrolizin-7-yl)methoxy)carbonyl)-",32728-78-2,5281732,"[(7S,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2,3-dihydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate",C/C=C(/C)\C(=O)O[C@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@]([C@H](C)O)(C(C)(C)O)O,"InChI=1S/C20H31NO7/c1-6-12(2)17(23)28-15-8-10-21-9-7-14(16(15)21)11-27-18(24)20(26,13(3)22)19(4,5)25/h6-7,13,15-16,22,25-26H,8-11H2,1-5H3/b12-6-/t13-,15-,16+,20+/m0/s1",HRSGCYGUWHGOPY-UKLMUADPSA-N,C20H31NO7,397.5,397.2100523,-0.1,117,684,0,3,8,9,28,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,3-Dihydroxy-2-(propan-2-yl)butanoate, ((1R,7aR)-1-(acetyloxy)-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl (2S,3R)-",74243-01-9,3035235,"[(7R,8R)-7-acetyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate",C[C@H]([C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)C)O)O,"InChI=1S/C17H27NO6/c1-10(2)17(22,11(3)19)16(21)23-9-13-5-7-18-8-6-14(15(13)18)24-12(4)20/h5,10-11,14-15,19,22H,6-9H2,1-4H3/t11-,14-,15-,17+/m1/s1",RKDOFSJTBIDAHX-CYHLAULCSA-N,C17H27NO6,341.4,341.1838376,0.1,96.3,531,0,2,7,8,24,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Morpholine, 3-methyl-4-nitroso-2-phenyl-",34993-08-3,92297,3-methyl-4-nitroso-2-phenylmorpholine,CC1C(OCCN1N=O)C2=CC=CC=C2,"InChI=1S/C11H14N2O2/c1-9-11(10-5-3-2-4-6-10)15-8-7-13(9)12-14/h2-6,9,11H,7-8H2,1H3",AUJFBAMBAVQREK-UHFFFAOYSA-N,C11H14N2O2,206.24,206.1055277,2.1,41.9,217,0,0,4,1,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,1
"Morpholine, 5,5-dimethyl-2-phenyl-",42013-48-9,97711,"5,5-dimethyl-2-phenylmorpholine",CC1(COC(CN1)C2=CC=CC=C2)C,"InChI=1S/C12H17NO/c1-12(2)9-14-11(8-13-12)10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3",KJUOROGOOZJYAI-UHFFFAOYSA-N,C12H17NO,191.27,191.1310142,1.6,21.3,185,0,1,2,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRANS-2-PHENYL-1-CYCLOPROPANECARBOXYLIC ACID,000939-90-2,237413,"trans-(1R,2R)-2-phenylcyclopropane-1-carboxylic acid",C1[C@H]([C@@H]1C(=O)O)C2=CC=CC=C2,"InChI=1S/C10H10O2/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,11,12)/t8-,9+/m0/s1",AHDDRJBFJBDEPW-DTWKUNHWSA-N,C10H10O2,162.18,162.0680796,1.6,37.3,182,0,1,2,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propionic acid, 2-(4-(2,2-dichlorocyclopropyl)phenoxy)-2-methyl-",052214-84-3,2763,"2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoic acid",CC(C)(C(=O)O)OC1=CC=C(C=C1)C2CC2(Cl)Cl,"InChI=1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)",KPSRODZRAIWAKH-UHFFFAOYSA-N,C13H14Cl2O3,289.15,288.0319997,3.4,46.5,333,0,1,3,4,18,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclopropanemethanol, 1-phenyl-",31729-66-5,520536,(1-phenylcyclopropyl)methanol,C1CC1(CO)C2=CC=CC=C2,"InChI=1S/C10H12O/c11-8-10(6-7-10)9-4-2-1-3-5-9/h1-5,11H,6-8H2",APALRPYIDIBHQN-UHFFFAOYSA-N,C10H12O,148.2,148.088815,1.8,20.2,132,0,1,1,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-FURANDIONE, 3,4-DIMETHYL-",000766-39-2,13010,"3,4-dimethylfuran-2,5-dione",CC1=C(C(=O)OC1=O)C,InChI=1S/C6H6O3/c1-3-4(2)6(8)9-5(3)7/h1-2H3,MFGALGYVFGDXIX-UHFFFAOYSA-N,C6H6O3,126.11,126.031694,0.6,43.4,190,0,0,3,0,9,,223 °C,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DICHLOROMALEIC ANHYDRIDE,001122-17-4,70728,"3,4-dichlorofuran-2,5-dione",C1(=C(C(=O)OC1=O)Cl)Cl,InChI=1S/C4Cl2O3/c5-1-2(6)4(8)9-3(1)7,AGULWIQIYWWFBJ-UHFFFAOYSA-N,C4Cl2O3,166.94,165.9224492,1.5,43.4,196,0,0,3,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MALEIC ANHYDRIDE,000108-31-6,7923,"furan-2,5-dione",C1=CC(=O)OC1=O,InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H,FPYJFEHAWHCUMM-UHFFFAOYSA-N,C4H2O3,98.06,98.00039392,-0.1,43.4,129,0,0,3,0,7,"218 °F (NTP, 1992)","387 to 390 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,1,0
THYMOL BLUE,000076-61-9,65565,"4-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-5-methyl-2-propan-2-ylphenol",CC1=CC(=C(C=C1C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O,"InChI=1S/C27H30O5S/c1-15(2)19-13-22(17(5)11-24(19)28)27(21-9-7-8-10-26(21)33(30,31)32-27)23-14-20(16(3)4)25(29)12-18(23)6/h7-16,28-29H,1-6H3",PRZSXZWFJHEZBJ-UHFFFAOYSA-N,C27H30O5S,466.6,466.1813952,6,92.2,751,0,2,5,4,33,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"CHLOROPHENOL RED, SODIUM SALT",123333-64-2,53393475,"sodium 2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]phenolate",C1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC(=C(C=C3)O)Cl)C4=CC(=C(C=C4)[O-])Cl.[Na+],"InChI=1S/C19H12Cl2O5S.Na/c20-14-9-11(5-7-16(14)22)19(12-6-8-17(23)15(21)10-12)13-3-1-2-4-18(13)27(24,25)26-19;/h1-10,22-23H;/q;+1/p-1",YQDIGZFHHZGTEF-UHFFFAOYSA-M,C19H11Cl2NaO5S,445.2,443.9601943,,95,659,0,1,5,2,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
XYLENOL BLUE,000125-31-5,67172,"4-[3-(4-hydroxy-2,5-dimethylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-2,5-dimethylphenol",CC1=CC(=C(C=C1O)C)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=C(C=C(C(=C4)C)O)C,"InChI=1S/C23H22O5S/c1-13-11-20(24)15(3)9-18(13)23(19-10-16(4)21(25)12-14(19)2)17-7-5-6-8-22(17)29(26,27)28-23/h5-12,24-25H,1-4H3",MGUKYHHAGPFJMC-UHFFFAOYSA-N,C23H22O5S,410.5,410.118795,4.5,92.2,671,0,2,5,2,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-METHYLCHRYSENE,001705-85-7,15564,6-methylchrysene,CC1=CC2=C(C=CC3=CC=CC=C32)C4=CC=CC=C14,"InChI=1S/C19H14/c1-13-12-19-16-8-3-2-6-14(16)10-11-18(19)17-9-5-4-7-15(13)17/h2-12H,1H3",ASVDRLYVNFOSCI-UHFFFAOYSA-N,C19H14,242.3,242.1095504,6,0,320,0,0,0,0,19,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1
"2,5-CYCLOHEXADIEN-1-ONE, 4-[[4-(ACETYLOXY)PHENYL]IMINO]-2,6-DICHLORO-",024857-20-3,259864,"[4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl] acetate",CC(=O)OC1=CC=C(C=C1)N=C2C=C(C(=O)C(=C2)Cl)Cl,"InChI=1S/C14H9Cl2NO3/c1-8(18)20-11-4-2-9(3-5-11)17-10-6-12(15)14(19)13(16)7-10/h2-7H,1H3",TTWHMYKNQLOAIV-UHFFFAOYSA-N,C14H9Cl2NO3,310.1,308.9959485,3.3,55.7,491,0,0,4,3,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, N-[3-[[4-(DIETHYLAMINO)-2-METHYLPHENYL]IMINO]-4-METHYL-6-OXO-1,4-CY",105296-07-9,136020311,"N-[3-[4-(diethylamino)-2-methylphenyl]imino-4-methyl-6-oxocyclohexa-1,4-dien-1-yl]acetamide",CCN(CC)C1=CC(=C(C=C1)N=C2C=C(C(=O)C=C2C)NC(=O)C)C,"InChI=1S/C20H25N3O2/c1-6-23(7-2)16-8-9-17(13(3)10-16)22-18-12-19(21-15(5)24)20(25)11-14(18)4/h8-12H,6-7H2,1-5H3,(H,21,24)",VPNCPXFGEIZYCS-UHFFFAOYSA-N,C20H25N3O2,339.4,339.1946771,2.9,61.8,614,0,1,4,5,25,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"ACETAMIDE, N-[5-CHLORO-3-[[4-(DIETHYLAMINO)-2-METHYLPHENYL]IMINO]-4-METHYL-6-O",102387-48-4,135602186,"N-[5-chloro-3-[4-(diethylamino)-2-methylphenyl]imino-4-methyl-6-oxocyclohexa-1,4-dien-1-yl]acetamide",CCN(CC)C1=CC(=C(C=C1)N=C2C=C(C(=O)C(=C2C)Cl)NC(=O)C)C,"InChI=1S/C20H24ClN3O2/c1-6-24(7-2)15-8-9-16(12(3)10-15)23-17-11-18(22-14(5)25)20(26)19(21)13(17)4/h8-11H,6-7H2,1-5H3,(H,22,25)",HYINZODUJDSJMX-UHFFFAOYSA-N,C20H24ClN3O2,373.9,373.1557047,3.7,61.8,662,0,1,4,5,26,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,5-CYCLOHEXADIEN-1-ONE, 4-[[4-(ACETYLOXY)PHENYL]IMINO]-",007761-80-0,82195,"[4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl] acetate",CC(=O)OC1=CC=C(C=C1)N=C2C=CC(=O)C=C2,"InChI=1S/C14H11NO3/c1-10(16)18-14-8-4-12(5-9-14)15-11-2-6-13(17)7-3-11/h2-9H,1H3",XAFOVULQFHVXSZ-UHFFFAOYSA-N,C14H11NO3,241.24,241.0738932,1.4,55.7,408,0,0,4,3,18,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-(4-NITROPHENYL)-1H-IMIDAZOLE,002301-25-9,123155,1-(4-nitrophenyl)imidazole,C1=CC(=CC=C1N2C=CN=C2)[N+](=O)[O-],InChI=1S/C9H7N3O2/c13-12(14)9-3-1-8(2-4-9)11-6-5-10-7-11/h1-7H,PUCOOPJLAXJKOO-UHFFFAOYSA-N,C9H7N3O2,189.17,189.0538265,1.5,63.6,209,0,0,3,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-(2-TRIFLUOROMETHYLPHENYL)IMIDAZOLE,025371-96-4,1359,1-[2-(trifluoromethyl)phenyl]imidazole,C1=CC=C(C(=C1)C(F)(F)F)N2C=CN=C2,"InChI=1S/C10H7F3N2/c11-10(12,13)8-3-1-2-4-9(8)15-6-5-14-7-15/h1-7H",WZBWBNCQUTXYEL-UHFFFAOYSA-N,C10H7F3N2,212.17,212.0561327,2.6,17.8,217,0,0,4,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-(4-METHOXYPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE",171364-79-7,584319,"2-(4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane",B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OC,"InChI=1S/C13H19BO3/c1-12(2)13(3,4)17-14(16-12)10-6-8-11(15-5)9-7-10/h6-9H,1-5H3",VFIKPDSQDNROGM-UHFFFAOYSA-N,C13H19BO3,234.1,234.1427246,,27.7,254,0,0,3,2,17,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-(2-BROMOMETHYL)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE",377780-72-8,3834834,"2-[2-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane",B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2CBr,"InChI=1S/C13H18BBrO2/c1-12(2)13(3,4)17-14(16-12)11-8-6-5-7-10(11)9-15/h5-8H,9H2,1-4H3",ROIXSNLOYHDYBP-UHFFFAOYSA-N,C13H18BBrO2,297,296.05832,,18.5,265,0,0,2,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-1-Benzopyran, 2,2-dimethyl-7-methoxy-",17598-02-6,28619,"7-methoxy-2,2-dimethylchromene",CC1(C=CC2=C(O1)C=C(C=C2)OC)C,"InChI=1S/C12H14O2/c1-12(2)7-6-9-4-5-10(13-3)8-11(9)14-12/h4-8H,1-3H3",CPTJXGLQLVPIGP-UHFFFAOYSA-N,C12H14O2,190.24,190.0993797,3.3,18.5,232,0,0,2,1,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2(1H)-PYRIMIDINONE, 5-CHLORO-",054326-16-8,108578,5-chloro-1H-pyrimidin-2-one,C1=C(C=NC(=O)N1)Cl,"InChI=1S/C4H3ClN2O/c5-3-1-6-4(8)7-2-3/h1-2H,(H,6,7,8)",OCSYCDVQABSEPJ-UHFFFAOYSA-N,C4H3ClN2O,130.53,129.9933904,0.1,41.5,173,0,1,1,0,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cytosine, 5-iodo-",1122-44-7,14281,6-amino-5-iodo-1H-pyrimidin-2-one,C1=NC(=O)NC(=C1I)N,"InChI=1S/C4H4IN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)",UFVWJVAMULFOMC-UHFFFAOYSA-N,C4H4IN3O,237,236.93991,-0.5,67.5,208,0,2,2,0,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Pyridinecarboxylic acid, 2-(3-(trifluoromethyl)phenoxy)-",36701-89-0,215891,2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid,C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)O)C(F)(F)F,"InChI=1S/C13H8F3NO3/c14-13(15,16)8-3-1-4-9(7-8)20-11-10(12(18)19)5-2-6-17-11/h1-7H,(H,18,19)",OBRGOFGSXWAVNZ-UHFFFAOYSA-N,C13H8F3NO3,283.2,283.0456276,3.1,59.4,348,0,1,7,3,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Propanoic acid, 2-(4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)-, methyl ester, (2R)-",72619-32-0,13363033,methyl (2R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate,C[C@H](C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl,"InChI=1S/C16H13ClF3NO4/c1-9(15(22)23-2)24-11-3-5-12(6-4-11)25-14-13(17)7-10(8-21-14)16(18,19)20/h3-9H,1-2H3/t9-/m1/s1",MFSWTRQUCLNFOM-SECBINFHSA-N,C16H13ClF3NO4,375.72,375.0485201,4.5,57.7,444,0,0,8,6,25,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
GENTAMICIN,001403-66-3,3467,"2-[4,6-diamino-3-[3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol",CC(C1CCC(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3)(C)O)NC)O)N)N)N)NC,"InChI=1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3",CEAZRRDELHUEMR-UHFFFAOYSA-N,C21H43N5O7,477.6,477.3162487,-4.1,200,636,0,8,12,7,33,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,1,0,0,1,1,0
"D-Streptamine, O-3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl-(1-4))-2-deoxy-",26098-04-4,72396,"(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol",C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC[C@H](O3)CN)N)N)N)O,"InChI=1S/C19H39N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h8-18,24-27H,3-7,20-23H2,1-2H3/t8-,9+,10-,11+,12-,13+,14+,15-,16+,17+,18+,19-/m0/s1",VEGXETMJINRLTH-BOZYPMBZSA-N,C19H39N5O7,449.5,449.2849486,-5,214,592,0,8,12,6,31,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,1,0,0,1,0,0
"1,3,4-Oxadiazole, 2-phenyl-",825-56-9,13217,"2-phenyl-1,3,4-oxadiazole",C1=CC=C(C=C1)C2=NN=CO2,InChI=1S/C8H6N2O/c1-2-4-7(5-3-1)8-10-9-6-11-8/h1-6H,ZEOMRHKTIYBETG-UHFFFAOYSA-N,C8H6N2O,146.15,146.0480128,1.4,38.9,123,0,0,3,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, N-(5-phenyl-(1,3,4-oxadiazol-2-yl))-",3916-80-1,199264,"N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide",CC(=O)NC1=NN=C(O1)C2=CC=CC=C2,"InChI=1S/C10H9N3O2/c1-7(14)11-10-13-12-9(15-10)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,13,14)",DIZOBXSYWYNPLR-UHFFFAOYSA-N,C10H9N3O2,203.2,203.0694765,0.9,68,229,0,1,4,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,4-Oxadiazole, 2-amino-5-(o-methoxyphenyl)-",5711-59-1,201251,"5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine",COC1=CC=CC=C1C2=NN=C(O2)N,"InChI=1S/C9H9N3O2/c1-13-7-5-3-2-4-6(7)8-11-12-9(10)14-8/h2-5H,1H3,(H2,10,12)",HTILGWBWTPTFES-UHFFFAOYSA-N,C9H9N3O2,191.19,191.0694765,1,74.2,191,0,1,5,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,4-Oxadiazole-2-methanol, 5-phenyl-",54014-02-7,3041361,"(5-phenyl-1,3,4-oxadiazol-2-yl)methanol",C1=CC=C(C=C1)C2=NN=C(O2)CO,"InChI=1S/C9H8N2O2/c12-6-8-10-11-9(13-8)7-4-2-1-3-5-7/h1-5,12H,6H2",PZJYBNBHJONRLK-UHFFFAOYSA-N,C9H8N2O2,176.17,176.0585775,0.6,59.2,160,0,1,4,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(+/-)-6-HYDROXY-2,5,7,8-TETRAMETHYLCHROMANE-2-CARBOXYLIC ACID",053188-07-1,40634,"6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid",CC1=C(C2=C(CCC(O2)(C)C(=O)O)C(=C1O)C)C,"InChI=1S/C14H18O4/c1-7-8(2)12-10(9(3)11(7)15)5-6-14(4,18-12)13(16)17/h15H,5-6H2,1-4H3,(H,16,17)",GLEVLJDDWXEYCO-UHFFFAOYSA-N,C14H18O4,250.29,250.1205091,2.8,66.8,343,0,2,4,1,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethanesulfonamide, N-((3R,4S)-6-cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl)-N-methyl-, rel-",163163-23-3,121846,"N-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-N-methylethanesulfonamide",CCS(=O)(=O)N(C)[C@@H]1[C@H](C(OC2=C1C=C(C=C2)C#N)(C)C)O,"InChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3/t13-,14+/m0/s1",HVSJHHXUORMCGK-UONOGXRCSA-N,C15H20N2O4S,324.4,324.1143783,0.9,99,560,0,1,6,3,22,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H-1-Benzopyran-6-ol, 3,4-dihydro-2,2,5,7,8-pentamethyl-",950-99-2,99479,"2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-ol",CC1=C(C2=C(CCC(O2)(C)C)C(=C1O)C)C,"InChI=1S/C14H20O2/c1-8-9(2)13-11(10(3)12(8)15)6-7-14(4,5)16-13/h15H,6-7H2,1-5H3",SEBPXHSZHLFWRL-UHFFFAOYSA-N,C14H20O2,220.31,220.1463299,3.6,29.5,261,0,1,2,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Chromanamine, hydrochloride",18518-71-3,205708,"3,4-dihydro-2H-chromen-3-amine;hydrochloride",C1C(COC2=CC=CC=C21)N.Cl,"InChI=1S/C9H11NO.ClH/c10-8-5-7-3-1-2-4-9(7)11-6-8;/h1-4,8H,5-6,10H2;1H",NSLATPDKWVAAIL-UHFFFAOYSA-N,C9H12ClNO,185.65,185.0607417,,35.3,138,0,2,2,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"7-HYDROXY-8-((4-(PHENYLAZO)PHENYL)AZO)-1,3-NAPHTHALENEDISULFONIC ACID, DISODIUM SALT",005413-75-2,21519,"disodium;7-hydroxy-8-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-1,3-disulfonate",C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=C(C=CC4=CC(=CC(=C43)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+],"InChI=1S/C22H16N4O7S2.2Na/c27-19-11-6-14-12-18(34(28,29)30)13-20(35(31,32)33)21(14)22(19)26-25-17-9-7-16(8-10-17)24-23-15-4-2-1-3-5-15;;/h1-13,27H,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2",PEAGNRWWSMMRPZ-UHFFFAOYSA-L,C22H14N4Na2O7S2,556.5,556.0099297,,201,952,0,1,11,4,37,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-NAPHTHALENESULFONAMIDE, 6-HYDROXY-N-(2-HYDROXYETHYL)-N-METHYL-5-[[4-(PHENYLA",058104-55-5,93957,6-hydroxy-N-(2-hydroxyethyl)-N-methyl-5-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-2-sulfonamide,CN(CCO)S(=O)(=O)C1=CC2=C(C=C1)C(=C(C=C2)O)N=NC3=CC=C(C=C3)N=NC4=CC=CC=C4,"InChI=1S/C25H23N5O4S/c1-30(15-16-31)35(33,34)22-12-13-23-18(17-22)7-14-24(32)25(23)29-28-21-10-8-20(9-11-21)27-26-19-5-3-2-4-6-19/h2-14,17,31-32H,15-16H2,1H3",JHXOIDWDLSOQJD-UHFFFAOYSA-N,C25H23N5O4S,489.5,489.1470754,4.8,136,818,0,2,9,8,35,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-PROPYLENE-D6 CARBONATE",202480-74-8,45040293,"4,4,5-trideuterio-5-(trideuteriomethyl)-1,3-dioxolan-2-one",[2H]C1(C(OC(=O)O1)([2H])C([2H])([2H])[2H])[2H],"InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3/i1D3,2D2,3D",RUOJZAUFBMNUDX-LIDOUZCJSA-N,C4H6O3,108.13,108.0693545,-0.4,35.5,88,0,0,3,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
1-AZIRIDINEETHANOL,001072-52-2,14074,2-(aziridin-1-yl)ethanol,C1CN1CCO,"InChI=1S/C4H9NO/c6-4-3-5-1-2-5/h6H,1-4H2",VYONOYYDEFODAJ-UHFFFAOYSA-N,C4H9NO,87.12,87.06841391,-0.6,23.2,42,0,1,2,2,6,"153 °F (NTP, 1992)","309 to 313 °F at 760 mmHg (NTP, 1992)",0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1-Aziridinecarboxamide, 2-cyano-",56368-59-3,41854,2-cyanoaziridine-1-carboxamide,C1C(N1C(=O)N)C#N,"InChI=1S/C4H5N3O/c5-1-3-2-7(3)4(6)8/h3H,2H2,(H2,6,8)",RMSRKYVNQYEPHO-UHFFFAOYSA-N,C4H5N3O,111.1,111.0432618,-1.3,69.9,167,0,1,2,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Aziridine, 1-(2-methyl-1-oxopropyl)-",20286-12-8,88464,1-(aziridin-1-yl)-2-methylpropan-1-one,CC(C)C(=O)N1CC1,"InChI=1S/C6H11NO/c1-5(2)6(8)7-3-4-7/h5H,3-4H2,1-2H3",ZCYVBYQBOWLNBU-UHFFFAOYSA-N,C6H11NO,113.16,113.084064,0.5,20.1,105,0,0,1,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,4-DIOXANE",000123-91-1,31275,"1,4-dioxane",C1COCCO1,InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2,RYHBNJHYFVUHQT-UHFFFAOYSA-N,C4H8O2,88.11,88.05242949,-0.3,18.5,26,0,0,2,0,6,"54 °F (NTP, 1992)","214 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,1
"1,4-DIOXANE-2,3-DIOL",004845-50-5,96170,"1,4-dioxane-2,3-diol",C1COC(C(O1)O)O,"InChI=1S/C4H8O4/c5-3-4(6)8-2-1-7-3/h3-6H,1-2H2",YLVACWCCJCZITJ-UHFFFAOYSA-N,C4H8O4,120.1,120.0422587,-1.3,58.9,64,0,2,4,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANOL, 2-(3,3-DIMETHYLBICYCLO[2.2.1]HEPT-2-YLIDENE)-",002226-05-3,5354776,"(2Z)-2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)ethanol",CC\1(C2CCC(C2)/C1=C/CO)C,"InChI=1S/C11H18O/c1-11(2)9-4-3-8(7-9)10(11)5-6-12/h5,8-9,12H,3-4,6-7H2,1-2H3/b10-5-",JGDHOHFQJJATNG-YHYXMXQVSA-N,C11H18O,166.26,166.1357652,2.3,20.2,215,0,1,1,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BICYCLO[2.2.1]HEPTANE, 2,2-DIMETHYL-3-METHYLENE-, (.+-.)-",000565-00-4,92221,"(1R,4S)-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane",CC1([C@@H]2CC[C@@H](C2)C1=C)C,"InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9+/m0/s1",CRPUJAZIXJMDBK-DTWKUNHWSA-N,C10H16,136.23,136.1252005,3.3,0,176,0,0,0,0,10,,,1,0,0,0,0,0,1,1,0,1,0,0,0,0,0,0,0,0,0,0
1-METHYL-4-PIPERIDONE,001445-73-4,74049,1-methylpiperidin-4-one,CN1CCC(=O)CC1,"InChI=1S/C6H11NO/c1-7-4-2-6(8)3-5-7/h2-5H2,1H3",HUUPVABNAQUEJW-UHFFFAOYSA-N,C6H11NO,113.16,113.084064,-0.3,20.3,90,0,0,2,0,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"4-PIPERIDINONE, 2,2,6,6-TETRAMETHYL-, HYDROCHLORIDE",033973-59-0,94452,"2,2,6,6-tetramethylpiperidin-4-one;hydrochloride",CC1(CC(=O)CC(N1)(C)C)C.Cl,"InChI=1S/C9H17NO.ClH/c1-8(2)5-7(11)6-9(3,4)10-8;/h10H,5-6H2,1-4H3;1H",ZXNWYMNKYXUZGM-UHFFFAOYSA-N,C9H18ClNO,191.7,191.1076919,,29.1,164,0,2,2,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperidinooxy, 2,2,6,6-tetramethyl-4-oxo-",2896-70-0,520789,,CC1(CC(=O)CC(N1[O])(C)C)C,"InChI=1S/C9H16NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h5-6H2,1-4H3",WSGDRFHJFJRSFY-UHFFFAOYSA-N,C9H16NO2,170.23,170.1181038,0.5,21.3,189,0,0,2,0,12,,,1,0,0,1,0,0,1,0,0,0,0,0,1,0,0,1,0,1,0,0
"THIAZOLIDINE, 2,2-DIMETHYL-",019351-18-9,88015,"2,2-dimethyl-1,3-thiazolidine",CC1(NCCS1)C,"InChI=1S/C5H11NS/c1-5(2)6-3-4-7-5/h6H,3-4H2,1-2H3",SNPQRYOQWLOTFA-UHFFFAOYSA-N,C5H11NS,117.22,117.0612205,0.9,37.3,70,0,1,2,0,7,,,0,1,0,1,0,0,0,1,1,0,0,1,0,0,0,0,1,0,0,0
TETRADODECYLAMMONIUM TETRAKIS (4-CHLOROPHENYL)BORATE,100581-42-8,10486428,tetradodecylazanium;tetrakis(4-chlorophenyl)boranuide,[B-](C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl.CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC,"InChI=1S/C48H100N.C24H16BCl4/c1-5-9-13-17-21-25-29-33-37-41-45-49(46-42-38-34-30-26-22-18-14-10-6-2,47-43-39-35-31-27-23-19-15-11-7-3)48-44-40-36-32-28-24-20-16-12-8-4;26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20/h5-48H2,1-4H3;1-16H/q+1;-1",OKKRVCFTMNLHTL-UHFFFAOYSA-N,C72H116BCl4N,1148.3,1147.792544,,0,871,0,0,1,48,78,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
COCAINE,000050-36-2,446220,"methyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate",CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC,"InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1",ZPUCINDJVBIVPJ-LJISPDSOSA-N,C17H21NO4,303.35,303.1470582,2.3,55.8,432,0,0,5,5,22,,BP: 187 °C at 0.1 mm Hg,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Maleimide, N-(p-chlorophenyl)-",1631-29-4,15400,"1-(4-chlorophenyl)pyrrole-2,5-dione",C1=CC(=CC=C1N2C(=O)C=CC2=O)Cl,InChI=1S/C10H6ClNO2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6H,FPZQYYXSOJSITC-UHFFFAOYSA-N,C10H6ClNO2,207.61,207.0087061,1.7,37.4,274,0,0,2,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrrole-2,5-dione, 3,4-dichloro-1-(4-fluorophenyl)-",41205-21-4,93228,"3,4-dichloro-1-(4-fluorophenyl)pyrrole-2,5-dione",C1=CC(=CC=C1N2C(=O)C(=C(C2=O)Cl)Cl)F,InChI=1S/C10H4Cl2FNO2/c11-7-8(12)10(16)14(9(7)15)6-3-1-5(13)2-4-6/h1-4H,IPENDKRRWFURRE-UHFFFAOYSA-N,C10H4Cl2FNO2,260.04,258.9603119,2.8,37.4,351,0,0,3,1,16,,,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Morphinan-3-ol, 17-methyl-, tartrate (1:1) (salt), (-)-",000125-72-4,5464027,"(2R,3R)-2,3-dihydroxybutanedioic acid;(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol",CN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,"InChI=1S/C17H23NO.C4H6O6/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17;5-1(3(7)8)2(6)4(9)10/h5-6,11,14,16,19H,2-4,7-10H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t14-,16+,17+;1-,2-/m01/s1",RWTWIZDKEIWLKQ-IWWMGODWSA-N,C21H29NO7,407.5,407.1944023,,139,491,0,5,8,3,29,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"Morphinan-3-ol, 17-allyl-, tartrate (1:1) (salt)",71-82-9,5464111,"(2R,3R)-2,3-dihydroxybutanedioic acid;(1R,9R,10R)-17-prop-2-enyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol",C=CCN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,"InChI=1S/C19H25NO.C4H6O6/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19;5-1(3(7)8)2(6)4(9)10/h2,6-7,13,16,18,21H,1,3-5,8-12H2;1-2,5-6H,(H,7,8)(H,9,10)/t16-,18+,19+;1-,2-/m01/s1",FWMLYVACGDQRFU-ZTMWJVNESA-N,C23H31NO7,433.5,433.2100523,,139,542,0,5,8,5,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"9-alpha,13-alpha,14-alpha-Morphinan, 3-methoxy-17-methyl-",125-71-3,5360696,"(1S,9S,10S)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene",CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OC,"InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m1/s1",MKXZASYAUGDDCJ-NJAFHUGGSA-N,C18H25NO,271.4,271.1936144,3.4,12.5,370,0,0,2,1,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-((4-METHYL-1-PIPERAZINYL)METHYL)BENZOIC ACID,106261-48-7,4769782,4-[(4-methylpiperazin-1-yl)methyl]benzoic acid,CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)O,"InChI=1S/C13H18N2O2/c1-14-6-8-15(9-7-14)10-11-2-4-12(5-3-11)13(16)17/h2-5H,6-10H2,1H3,(H,16,17)",ZJUXJQSYXBYFFO-UHFFFAOYSA-N,C13H18N2O2,234.29,234.1368278,-1.2,43.8,254,0,1,4,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperazine, 1-((2,3,4-trimethoxyphenyl)methyl)-",5011-34-7,21109,"1-[(2,3,4-trimethoxyphenyl)methyl]piperazine",COC1=C(C(=C(C=C1)CN2CCNCC2)OC)OC,"InChI=1S/C14H22N2O3/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16/h4-5,15H,6-10H2,1-3H3",UHWVSEOVJBQKBE-UHFFFAOYSA-N,C14H22N2O3,266.34,266.1630426,1,43,259,0,1,5,5,19,,,0,0,0,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
"5-beta-Androstan-3-one, 17-beta-hydroxy-",000571-22-2,11302,"(5R,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",C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,"InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14+,15+,16+,17+,18+,19+/m1/s1",NVKAWKQGWWIWPM-MISPCMORSA-N,C19H30O2,290.4,290.2245802,3.7,37.3,458,0,1,2,0,21,,,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
17-beta-hydroxy-1-alpha-methyl-5-alpha-Androstan-3-one,001424-00-6,15020,"(1S,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-1,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one",C[C@H]1CC(=O)C[C@H]2[C@]1([C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@@H]4O)C)C,"InChI=1S/C20H32O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h12-13,15-18,22H,4-11H2,1-3H3/t12-,13-,15-,16-,17-,18-,19-,20-/m0/s1",UXYRZJKIQKRJCF-TZPFWLJSSA-N,C20H32O2,304.5,304.2402303,4.1,37.3,486,0,1,2,0,22,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Androsta-4,6-dien-3-one, 17-beta-hydroxy-",2484-30-2,17209,"(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C=CC4=CC(=O)CC[C@]34C,"InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3-4,11,14-17,21H,5-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1",UMDCOKNNLDEKJB-DYKIIFRCSA-N,C19H26O2,286.4,286.1932801,2.2,37.3,546,0,1,2,0,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Urea, N-(5-chloro-2-hydroxyphenyl)-N'-(2-chloro-5-(trifluoromethyl)phenyl)-",501684-93-1,310378,1-(5-chloro-2-hydroxyphenyl)-3-[2-chloro-5-(trifluoromethyl)phenyl]urea,C1=CC(=C(C=C1C(F)(F)F)NC(=O)NC2=C(C=CC(=C2)Cl)O)Cl,"InChI=1S/C14H9Cl2F3N2O2/c15-8-2-4-12(22)11(6-8)21-13(23)20-10-5-7(14(17,18)19)1-3-9(10)16/h1-6,22H,(H2,20,21,23)",OUDXRNQPVSMGDW-UHFFFAOYSA-N,C14H9Cl2F3N2O2,365.1,363.9993174,4.3,61.4,425,0,3,5,2,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
2-THIOURACIL,000141-90-2,1269845,2-sulfanylidene-1H-pyrimidin-4-one,C1=CNC(=S)NC1=O,"InChI=1S/C4H4N2OS/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)",ZEMGGZBWXRYJHK-UHFFFAOYSA-N,C4H4N2OS,128.15,128.0044339,-0.3,73.2,163,0,2,2,0,8,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4(1H)-Pyrimidinone, 2,3-dihydro-5-propyl-2-thioxo-",2954-52-1,3002043,5-propyl-2-sulfanylidene-1H-pyrimidin-4-one,CCCC1=CNC(=S)NC1=O,"InChI=1S/C7H10N2OS/c1-2-3-5-4-8-7(11)9-6(5)10/h4H,2-3H2,1H3,(H2,8,9,10,11)",RWJRFPUNLXBCML-UHFFFAOYSA-N,C7H10N2OS,170.23,170.0513841,1,73.2,222,0,2,2,2,11,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Indolinone, 3-(2-aminoethyl)-, hydrochloride",4993-84-4,11701292,"3-(2-aminoethyl)-1,3-dihydroindol-2-one;hydrochloride",C1=CC=C2C(=C1)C(C(=O)N2)CCN.Cl,"InChI=1S/C10H12N2O.ClH/c11-6-5-8-7-3-1-2-4-9(7)12-10(8)13;/h1-4,8H,5-6,11H2,(H,12,13);1H",TXSFUPUQVBZDAA-UHFFFAOYSA-N,C10H13ClN2O,212.67,212.0716407,,55.1,205,0,3,2,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Piperazineethanol, 4-(3-(2-(trifluoromethyl)thioxanthen-9-ylidene)propyl)-",2709-56-0,5281881,2-[4-[(3Z)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol,C1CN(CCN1CC/C=C\2/C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO,"InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5-",NJMYODHXAKYRHW-DVZOWYKESA-N,C23H25F3N2OS,434.5,434.1639691,4.5,52,591,0,1,7,5,30,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, 4-[[5-METHOXY-4-[(4-METHOXYPHENYL)AZO]-2-METHYLPHENYL]AZ",068555-86-2,23703979,sodium 4-[[5-methoxy-4-[(4-methoxyphenyl)diazenyl]-2-methylphenyl]diazenyl]benzenesulfonate,CC1=CC(=C(C=C1N=NC2=CC=C(C=C2)S(=O)(=O)[O-])OC)N=NC3=CC=C(C=C3)OC.[Na+],"InChI=1S/C21H20N4O5S.Na/c1-14-12-20(25-23-15-4-8-17(29-2)9-5-15)21(30-3)13-19(14)24-22-16-6-10-18(11-7-16)31(26,27)28;/h4-13H,1-3H3,(H,26,27,28);/q;+1/p-1",DBSJKTVELUTRJM-UHFFFAOYSA-M,C21H19N4NaO5S,462.5,462.0973852,,133,716,0,0,9,7,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
8-HYDROXYQUINOLINE-N-OXIDE,001127-45-3,14312,1-oxidoquinolin-1-ium-8-ol,C1=CC2=C(C(=C1)O)[N+](=CC=C2)[O-],"InChI=1S/C9H7NO2/c11-8-5-1-3-7-4-2-6-10(12)9(7)8/h1-6,11H",FJKUOCCQEBLPNX-UHFFFAOYSA-N,C9H7NO2,161.16,161.0476785,0.4,45.7,163,0,1,2,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Lepidine, 1-oxide",4053-40-1,19968,4-methyl-1-oxidoquinolin-1-ium,CC1=CC=[N+](C2=CC=CC=C12)[O-],"InChI=1S/C10H9NO/c1-8-6-7-11(12)10-5-3-2-4-9(8)10/h2-7H,1H3",BKKKHCJYHYPKBC-UHFFFAOYSA-N,C10H9NO,159.18,159.0684139,0.7,25.5,160,0,0,1,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenolphthalein, 3',3'',5',5''-tetraiodo-",386-17-4,67846,"3,3-bis(4-hydroxy-3,5-diiodophenyl)-2-benzofuran-1-one",C1=CC=C2C(=C1)C(=O)OC2(C3=CC(=C(C(=C3)I)O)I)C4=CC(=C(C(=C4)I)O)I,"InChI=1S/C20H10I4O4/c21-13-5-9(6-14(22)17(13)25)20(10-7-15(23)18(26)16(24)8-10)12-4-2-1-3-11(12)19(27)28-20/h1-8,25-26H",FWQKRBDABCRWKV-UHFFFAOYSA-N,C20H10I4O4,821.9,821.6758,6.2,66.8,551,0,2,4,2,28,,,0,0,0,0,0,1,0,1,0,0,1,0,0,1,0,0,1,0,0,1
LITHIUM TETRABORATE,012007-60-2,9815330,"dilithium;3,7-dioxido-2,4,6,8,9-pentaoxa-1,3,5,7-tetraborabicyclo[3.3.1]nonane",[Li+].[Li+].B1(OB2OB(OB(O1)O2)[O-])[O-],InChI=1S/B4O7.2Li/c5-1-7-3-9-2(6)10-4(8-1)11-3;;/q-2;2*+1,XFOCQAMEVCAHGV-UHFFFAOYSA-N,B4Li2O7,169.2,170.0336299,,92.3,121,0,0,7,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POTASSIUM TETRABORATE,001332-77-0,9816075,"dipotassium;3,7-dioxido-2,4,6,8,9-pentaoxa-1,3,5,7-tetraborabicyclo[3.3.1]nonane",B1(OB2OB(OB(O1)O2)[O-])[O-].[K+].[K+],InChI=1S/B4O7.2K/c5-1-7-3-9-2(6)10-4(8-1)11-3;;/q-2;2*+1,FZQSLXQPHPOTHG-UHFFFAOYSA-N,B4K2O7,233.4,233.929036,,92.3,121,0,0,7,0,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
Calcium borate,12007-56-6,56589698,"calcium 3,7-dioxido-2,4,6,8,9-pentaoxa-1,3,5,7-tetraborabicyclo[3.3.1]nonane",B1(OB2OB(OB(O1)O2)[O-])[O-].[Ca+2],InChI=1S/B4O7.Ca/c5-1-7-3-9-2(6)10-4(8-1)11-3;/q-2;+2,IKRMZAOEXULJQX-UHFFFAOYSA-N,B4CaO7,195.3,195.9642138,,92.3,121,0,0,7,0,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Benzoic acid, 2-(((((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)-",79510-48-8,91730,"2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoic acid",CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O,"InChI=1S/C13H13N5O6S/c1-7-14-11(17-13(15-7)24-2)16-12(21)18-25(22,23)9-6-4-3-5-8(9)10(19)20/h3-6H,1-2H3,(H,19,20)(H2,14,15,16,17,18,21)",UWHURBUBIHUHSU-UHFFFAOYSA-N,C13H13N5O6S,367.34,367.0586543,1.2,169,594,0,3,9,5,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-PYRAN, 2-ETHOXY-3,4-DIHYDRO-",000103-75-3,7676,"2-ethoxy-3,4-dihydro-2H-pyran",CCOC1CCC=CO1,"InChI=1S/C7H12O2/c1-2-8-7-5-3-4-6-9-7/h4,6-7H,2-3,5H2,1H3",VZJFPIXCMVSTID-UHFFFAOYSA-N,C7H12O2,128.17,128.0837296,1.5,18.5,99,0,0,2,2,9,"98 °F (USCG, 1999)","289 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"D-glycero-D-galacto-Non-2-enonic acid, 5-(acetylamino)-4-((aminoiminomethyl)amino)-2,6-anhydro-3,4,5-trideoxy-",139110-80-8,60855,"(2R,3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid",CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)N=C(N)N,"InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1",ARAIBEBZBOPLMB-UFGQHTETSA-N,C12H20N4O7,332.31,332.133199,-3.2,201,518,0,7,8,6,23,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 4-[[(METHYLPHENYLAMINO)METHYLENE]AMINO]-, ETHYL ESTER",057834-33-0,93817,ethyl 4-[(N-methylanilino)methylideneamino]benzoate,CCOC(=O)C1=CC=C(C=C1)N=CN(C)C2=CC=CC=C2,"InChI=1S/C17H18N2O2/c1-3-21-17(20)14-9-11-15(12-10-14)18-13-19(2)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3",GNGYPJUKIKDJQT-UHFFFAOYSA-N,C17H18N2O2,282.34,282.1368278,3.4,41.9,343,0,0,3,6,21,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,1,3-BENZOXADIAZOLE",000273-09-6,67501,"2,1,3-benzoxadiazole",C1=CC2=NON=C2C=C1,InChI=1S/C6H4N2O/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,AWBOSXFRPFZLOP-UHFFFAOYSA-N,C6H4N2O,120.11,120.0323628,1.7,38.9,95,0,0,3,0,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
3-AMINOQUINUCLIDINE DIHYDROCHLORIDE,006530-09-2,18401282,1-azabicyclo[2.2.2]octan-3-amine;hydrochloride,C1CN2CCC1C(C2)N.Cl,"InChI=1S/C7H14N2.ClH/c8-7-5-9-3-1-6(7)2-4-9;/h6-7H,1-5,8H2;1H",KHAKFKRESWHJHB-UHFFFAOYSA-N,C7H15ClN2,162.66,162.0923762,,29.3,105,0,2,2,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(S)-(-)-3-AMINOQUINUCLIDINE DIHYDROCHLORIDE,119904-90-4,12494973,(3S)-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride,C1CN2CCC1[C@@H](C2)N.Cl.Cl,"InChI=1S/C7H14N2.2ClH/c8-7-5-9-3-1-6(7)2-4-9;;/h6-7H,1-5,8H2;2*1H/t7-;;/m1../s1",STZHBULOYDCZET-XCUBXKJBSA-N,C7H16Cl2N2,199.12,198.0690539,,29.3,105,0,3,2,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,1,3-Benzothiadiazol-2(S(sup IV))-4-ol",54377-04-7,4914673,"2,1,3-benzothiadiazol-4-ol",C1=CC2=NSN=C2C(=C1)O,"InChI=1S/C6H4N2OS/c9-5-3-1-2-4-6(5)8-10-7-4/h1-3,9H",HYQIDLQSPAWDSE-UHFFFAOYSA-N,C6H4N2OS,152.18,152.0044339,1.4,74.3,133,0,1,4,0,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4-ethyl-4,10-dihydroxy-, (S)-",67656-30-8,135403790,"(19S)-19-ethyl-8,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione",CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5O)N=C4C3=C2)O,"InChI=1S/C20H16N2O5/c1-2-20(26)13-7-15-17-10(6-11-14(21-17)4-3-5-16(11)23)8-22(15)18(24)12(13)9-27-19(20)25/h3-7,23,26H,2,8-9H2,1H3/t20-/m0/s1",LCZZWLIDINBPRC-FQEVSTJZSA-N,C20H16N2O5,364.4,364.1059216,0.6,100,774,0,2,6,1,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 10-((dimethylamino)methyl)-4-ethyl-4,9-dihydroxy-, (S)-",123948-87-8,60700,"(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione",CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O,"InChI=1S/C23H23N3O5/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20/h5-8,27,30H,4,9-11H2,1-3H3/t23-/m0/s1",UCFGDBYHRUNTLO-QHCPKHFHSA-N,C23H23N3O5,421.4,421.1637708,0.5,103,867,0,2,7,3,31,,,0,0,0,1,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,1
4-PHENYL-2-THIAZOLAMINE,002010-06-2,40302,"4-phenyl-1,3-thiazol-2-amine",C1=CC=C(C=C1)C2=CSC(=N2)N,"InChI=1S/C9H8N2S/c10-9-11-8(6-12-9)7-4-2-1-3-5-7/h1-6H,(H2,10,11)",PYSJLPAOBIGQPK-UHFFFAOYSA-N,C9H8N2S,176.24,176.0408194,2.3,67.2,145,0,1,3,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Thiazole, 2-amino-4-phenyl-, hydrochloride",8/8/08,80338,"4-phenyl-1,3-thiazol-2-amine;hydrochloride",C1=CC=C(C=C1)C2=CSC(=N2)N.Cl,"InChI=1S/C9H8N2S.ClH/c10-9-11-8(6-12-9)7-4-2-1-3-5-7;/h1-6H,(H2,10,11);1H",KXSYGCGRAVSMBT-UHFFFAOYSA-N,C9H9ClN2S,212.7,212.0174972,,67.2,145,0,2,3,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ketone, 2-ethyl-3-benzofuranyl p-hydroxyphenyl",001477-19-6,255968,(2-ethyl-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone,CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)O,"InChI=1S/C17H14O3/c1-2-14-16(13-5-3-4-6-15(13)20-14)17(19)11-7-9-12(18)10-8-11/h3-10,18H,2H2,1H3",RFRXIWQYSOIBDI-UHFFFAOYSA-N,C17H14O3,266.29,266.0942943,4.3,50.4,346,0,1,3,3,20,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
N-DESETHYLAMIODARONE-D4 HYDROCHLORIDE SOLUTION,,45038854,"(2-butyl-1-benzofuran-3-yl)-[3,5-diiodo-4-[1,1,2,2-tetradeuterio-2-(ethylamino)ethoxy]phenyl]methanone;hydrochloride",[2H]C([2H])(C([2H])([2H])OC1=C(C=C(C=C1I)C(=O)C2=C(OC3=CC=CC=C32)CCCC)I)NCC.Cl,"InChI=1S/C23H25I2NO3.ClH/c1-3-5-9-20-21(16-8-6-7-10-19(16)29-20)22(27)15-13-17(24)23(18(25)14-15)28-12-11-26-4-2;/h6-8,10,13-14,26H,3-5,9,11-12H2,1-2H3;1H/i11D2,12D2;",OCQPMJVGWGJLLG-ZYMFQSNRSA-N,C23H26ClI2NO3,657.7,656.99417,,51.5,508,0,2,4,10,30,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3H-INDOLIUM, 1,3,3-TRIMETHYL-2-[[METHYL(4-METHYLPHENYL)HYDRAZONO]METHYL]-, MET",073019-09-7,9567915,"N,4-dimethyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;methyl sulfate",CC1=CC=C(C=C1)N(C)/N=C/C2=[N+](C3=CC=CC=C3C2(C)C)C.COS(=O)(=O)[O-],"InChI=1S/C20H24N3.CH4O4S/c1-15-10-12-16(13-11-15)23(5)21-14-19-20(2,3)17-8-6-7-9-18(17)22(19)4;1-5-6(2,3)4/h6-14H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1",WYYPHFSXWSKRQJ-UHFFFAOYSA-M,C21H27N3O4S,417.5,417.1722275,,93.4,574,0,0,6,3,29,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"DIAZENIUM, 2-[(1,3-DIHYDRO-1,3,3-TRIMETHYL-2H-INDOL-2-YLIDENE)METHYL]-1-METHYL",060568-41-4,9577818,"methyl sulfate;N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline",CC1(C2=CC=CC=C2[N+](=C1/C=N/N(C)C3=CC=CC=C3)C)C.COS(=O)(=O)[O-],"InChI=1S/C19H22N3.CH4O4S/c1-19(2)16-12-8-9-13-17(16)21(3)18(19)14-20-22(4)15-10-6-5-7-11-15;1-5-6(2,3)4/h5-14H,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",LPQMOFIXRVVOSF-UHFFFAOYSA-M,C20H25N3O4S,403.5,403.1565775,,93.4,548,0,0,6,3,28,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
DESOMORPHINE,000427-00-9,5362456,"(4R,4aR,7aS,12bS)-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-ol",CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3CCC4,"InChI=1S/C17H21NO2/c1-18-8-7-17-11-3-2-4-14(17)20-16-13(19)6-5-10(15(16)17)9-12(11)18/h5-6,11-12,14,19H,2-4,7-9H2,1H3/t11-,12+,14-,17+/m0/s1",LNNWVNGFPYWNQE-GMIGKAJZSA-N,C17H21NO2,271.35,271.1572289,2.8,32.7,427,0,1,3,0,20,,Sublimes in high vacuum between 140 and 170 °C,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Benzimidazole, 2-(4-fluorophenyl)-",324-27-6,101259,2-(4-fluorophenyl)-1H-benzimidazole,C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)F,"InChI=1S/C13H9FN2/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H,(H,15,16)",FPWUSPPQEHBWHC-UHFFFAOYSA-N,C13H9FN2,212.22,212.0749765,3.3,28.7,238,0,1,2,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Benzimidazole, 2-(2-bromophenyl)-",13275-42-8,97511,2-(2-bromophenyl)-1H-benzimidazole,C1=CC=C(C(=C1)C2=NC3=CC=CC=C3N2)Br,"InChI=1S/C13H9BrN2/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13/h1-8H,(H,15,16)",KOXRUUGKLDCECO-UHFFFAOYSA-N,C13H9BrN2,273.13,271.99491,3.9,28.7,246,0,1,1,1,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Benzimidazole, 2-(4-chlorophenyl)-",,759417,2-(4-chlorophenyl)-1H-benzimidazole,C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)Cl,"InChI=1S/C13H9ClN2/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H,(H,15,16)",PTXUJRTVWRYYTE-UHFFFAOYSA-N,C13H9ClN2,228.67,228.045426,3.9,28.7,238,0,1,1,1,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"4H-1-Benzopyran-4-one, 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-",20575-57-9,5280448,7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one,COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O,"InChI=1S/C16H12O5/c1-20-14-5-2-9(6-13(14)18)12-8-21-15-7-10(17)3-4-11(15)16(12)19/h2-8,17-18H,1H3",ZZAJQOPSWWVMBI-UHFFFAOYSA-N,C16H12O5,284.26,284.0684735,2.4,76,432,0,2,5,2,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BENZO(A)PYRENE,000050-32-8,2336,benzo[a]pyrene,C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3,InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H,FMMWHPNWAFZXNH-UHFFFAOYSA-N,C20H12,252.3,252.0939004,6,0,372,0,0,0,0,20,,"887 °F at 760 mmHg (NTP, 1992)",1,0,0,0,0,1,1,0,0,0,1,0,0,1,0,0,0,1,0,0
Benzo(a)pyren-7-ol,37994-82-4,37880,benzo[a]pyren-7-ol,C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=CC=C5O)C=C2,"InChI=1S/C20H12O/c21-18-6-2-5-15-16-10-9-13-4-1-3-12-7-8-14(11-17(15)18)20(16)19(12)13/h1-11,21H",CNQAYISXCZTDQX-UHFFFAOYSA-N,C20H12O,268.3,268.088815,5.9,20.2,405,0,1,1,0,21,,,0,0,0,0,0,1,1,0,0,0,1,0,0,1,0,0,0,1,0,0
"Benzo(a)pyrene, 7,10-dimethyl-",63104-33-6,44393,"7,10-dimethylbenzo[a]pyrene",CC1=C2C=C3C=CC4=C5C3=C(C2=C(C=C1)C)C=CC5=CC=C4,"InChI=1S/C22H16/c1-13-6-7-14(2)20-18-11-10-16-5-3-4-15-8-9-17(12-19(13)20)22(18)21(15)16/h3-12H,1-2H3",XTPGPUORAJUZLH-UHFFFAOYSA-N,C22H16,280.4,280.1252005,7,0,426,0,0,0,0,22,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
6-(P-TOLUIDINYL)NAPHTHALENE-2-SULFONYL CHLORIDE,062778-24-9,112953,6-(4-methylanilino)naphthalene-2-sulfonyl chloride,CC1=CC=C(C=C1)NC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)Cl,"InChI=1S/C17H14ClNO2S/c1-12-2-6-15(7-3-12)19-16-8-4-14-11-17(22(18,20)21)9-5-13(14)10-16/h2-11,19H,1H3",NONZPGMJWHNDKP-UHFFFAOYSA-N,C17H14ClNO2S,331.8,331.0433776,5.1,54.6,468,0,1,3,3,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-(2-HYDROXYPHENYL)BENZOXAZOLE,000835-64-3,13269,"2-(1,3-benzoxazol-2-yl)phenol",C1=CC=C(C(=C1)C2=NC3=CC=CC=C3O2)O,"InChI=1S/C13H9NO2/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13/h1-8,15H",GHGZVWOTJDLREY-UHFFFAOYSA-N,C13H9NO2,211.22,211.0633285,3.1,46.3,246,0,1,3,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HEXAKIS(1H,1H,9H-PERFLUORONONYLOXY)PHOSPHAZENE",186043-67-4,45075663,"2,2,4,4,6,6-hexakis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene",C(C(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OP1(=NP(=NP(=N1)(OCC(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(OCC(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C54H18F96N3O6P3/c55-7(56)19(79,80)31(103,104)43(127,128)49(139,140)37(115,116)25(91,92)13(67,68)1-154-160(155-2-14(69,70)26(93,94)38(117,118)50(141,142)44(129,130)32(105,106)20(81,82)8(57)58)151-161(156-3-15(71,72)27(95,96)39(119,120)51(143,144)45(131,132)33(107,108)21(83,84)9(59)60,157-4-16(73,74)28(97,98)40(121,122)52(145,146)46(133,134)34(109,110)22(85,86)10(61)62)153-162(152-160,158-5-17(75,76)29(99,100)41(123,124)53(147,148)47(135,136)35(111,112)23(87,88)11(63)64)159-6-18(77,78)30(101,102)42(125,126)54(149,150)48(137,138)36(113,114)24(89,90)12(65)66/h7-12H,1-6H2",ZVDUXGKGHNHXGM-UHFFFAOYSA-N,C54H18F96N3O6P3,2721.5,2720.88755,34.2,92.5,4460,0,0,105,60,162,,,0,0,1,1,0,1,0,1,0,0,0,0,0,1,0,0,1,0,1,1
"HEXAKIS(1H,1H,5H-OCTAFLUOROPENTOXY)PHOSPHAZINE",016059-16-8,2775070,"2,2,4,4,6,6-hexakis(2,2,3,3,4,4,5,5-octafluoropentoxy)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene",C(C(C(C(C(F)F)(F)F)(F)F)(F)F)OP1(=NP(=NP(=N1)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(F)F)(F)F)(F)F)(F)F)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(F)F)(F)F)(F)F)(F)F,"InChI=1S/C30H18F48N3O6P3/c31-7(32)19(55,56)25(67,68)13(43,44)1-82-88(83-2-14(45,46)26(69,70)20(57,58)8(33)34)79-89(84-3-15(47,48)27(71,72)21(59,60)9(35)36,85-4-16(49,50)28(73,74)22(61,62)10(37)38)81-90(80-88,86-5-17(51,52)29(75,76)23(63,64)11(39)40)87-6-18(53,54)30(77,78)24(65,66)12(41)42/h7-12H,1-6H2",TYEUBAWEDRQJFN-UHFFFAOYSA-N,C30H18F48N3O6P3,1521.3,1520.964198,18.1,92.5,2150,0,0,57,36,90,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HEXAKIS(1H,1H,3H-TETRAFLUOROPROPOXY)PHOSPHAZINE",058943-98-9,2775076,"2,2,4,4,6,6-hexakis(2,2,3,3-tetrafluoropropoxy)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene",C(C(C(F)F)(F)F)OP1(=NP(=NP(=N1)(OCC(C(F)F)(F)F)OCC(C(F)F)(F)F)(OCC(C(F)F)(F)F)OCC(C(F)F)(F)F)OCC(C(F)F)(F)F,"InChI=1S/C18H18F24N3O6P3/c19-7(20)13(31,32)1-46-52(47-2-14(33,34)8(21)22)43-53(48-3-15(35,36)9(23)24,49-4-16(37,38)10(25)26)45-54(44-52,50-5-17(39,40)11(27)28)51-6-18(41,42)12(29)30/h7-12H,1-6H2",WAVNXLRSYAMQNY-UHFFFAOYSA-N,C18H18F24N3O6P3,921.2,921.0025222,10,92.5,1120,0,0,33,24,54,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HEXAKIS(1H,1H,7H-DODECALFLUOROHEPTOXY)PHOSPHAZENE",003830-74-8,2775073,"2,2,4,4,6,6-hexakis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene",C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OP1(=NP(=NP(=N1)(OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C42H18F72N3O6P3/c43-7(44)19(67,68)31(91,92)37(103,104)25(79,80)13(55,56)1-118-124(119-2-14(57,58)26(81,82)38(105,106)32(93,94)20(69,70)8(45)46)115-125(120-3-15(59,60)27(83,84)39(107,108)33(95,96)21(71,72)9(47)48,121-4-16(61,62)28(85,86)40(109,110)34(97,98)22(73,74)10(49)50)117-126(116-124,122-5-17(63,64)29(87,88)41(111,112)35(99,100)23(75,76)11(51)52)123-6-18(65,66)30(89,90)42(113,114)36(101,102)24(77,78)12(53)54/h7-12H,1-6H2",LKVZJNTYGYODLD-UHFFFAOYSA-N,C42H18F72N3O6P3,2121.4,2120.925874,26.1,92.5,3280,0,0,81,48,126,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DISILANE, 1,1,1-TRIMETHYL-2,2,2-TRIPHENYL-",001450-18-6,74058,trimethyl(triphenylsilyl)silane,C[Si](C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C21H24Si2/c1-22(2,3)23(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18H,1-3H3",BSFLZHNGSJZLQC-UHFFFAOYSA-N,C21H24Si2,332.6,332.1416538,,0,307,0,0,0,4,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
OXACILLIN SODIUM,001173-88-2,23667631,"sodium (2S,5R,6R)-3,3-dimethyl-6-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-].[Na+],"InChI=1S/C19H19N3O5S.Na/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22;/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26);/q;+1/p-1/t13-,14+,17-;/m1./s1",VDUVBBMAXXHEQP-SLINCCQESA-M,C19H18N3NaO5S,423.4,423.0864861,,141,687,0,1,7,4,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(3-(o-chlorophenyl)-S-methyl-4-isoxazolecarboxamido)-3,3-dimethyl-7-oxo-",61-72-3,6098,"(2S,5R,6R)-6-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O,"InChI=1S/C19H18ClN3O5S/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)/t13-,14+,17-/m1/s1",LQOLIRLGBULYKD-JKIFEVAISA-N,C19H18ClN3O5S,435.9,435.0655696,2.4,138,722,0,2,7,4,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-6-(5-methyl-3-phenyl-4-isoxazolecarboxamide)-7-oxo-",66-79-5,6196,"(2S,5R,6R)-3,3-dimethyl-6-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O,"InChI=1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)/t13-,14+,17-/m1/s1",UWYHMGVUTGAWSP-JKIFEVAISA-N,C19H19N3O5S,401.4,401.1045419,2.4,138,680,0,2,7,4,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(3-(o-chlorophenyl)-5-methyl-4-isoxazolecarboxamido)-3,3-dimethyl-7-oxo-, monosodium salt",642-78-4,23675320,"sodium (2S,5R,6R)-6-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-].[Na+],"InChI=1S/C19H18ClN3O5S.Na/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23;/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27);/q;+1/p-1/t13-,14+,17-;/m1./s1",SCLZRKVZRBKZCR-SLINCCQESA-M,C19H17ClN3NaO5S,457.9,457.0475138,,141,728,0,1,7,4,30,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
(-)-GALLOCATECHIN,003371-27-5,9882981,"(2S,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol",C1[C@H]([C@@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m1/s1",XMOCLSLCDHWDHP-DOMZBBRYSA-N,C15H14O7,306.27,306.0739528,0,131,380,0,6,7,1,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclopentanemethylamine, 1-phenyl-",17511-89-6,205131,(1-phenylcyclopentyl)methanamine,C1CCC(C1)(CN)C2=CC=CC=C2,"InChI=1S/C12H17N/c13-10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10,13H2",SJWOFBVBNFLWLP-UHFFFAOYSA-N,C12H17N,175.27,175.1360995,2.6,26,153,0,1,1,2,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
VASOPRESSIN ACETATE,083968-48-3,9549168,"acetic acid;(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide",CC(=O)O.C1C[C@H](N(C1)C(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N,"InChI=1S/C46H65N15O12S2.C2H4O2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25;1-2(3)4/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53);1H3,(H,3,4)/t27-,28-,29-,30-,31-,32-,33-,34-;/m0./s1",ZHFGXNMADRRGQP-HPILINOVSA-N,C48H69N15O14S2,1144.3,1143.458984,,552,2100,0,15,18,19,79,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Vasopressin, 8-L-lysine-",000050-57-7,644076,"(2S)-N-[(2S)-6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide",C1C[C@H](N(C1)C(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N,"InChI=1S/C46H65N13O12S2/c47-17-5-4-9-29(40(65)52-22-38(51)63)54-45(70)35-10-6-18-59(35)46(71)34-24-73-72-23-28(48)39(64)55-31(20-26-11-13-27(60)14-12-26)43(68)56-32(19-25-7-2-1-3-8-25)42(67)53-30(15-16-36(49)61)41(66)57-33(21-37(50)62)44(69)58-34/h1-3,7-8,11-14,28-35,60H,4-6,9-10,15-24,47-48H2,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,65)(H,53,67)(H,54,70)(H,55,64)(H,56,68)(H,57,66)(H,58,69)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1",BJFIDCADFRDPIO-DZCXQCEKSA-N,C46H65N13O12S2,1056.2,1055.431707,-3.9,476,1960,0,13,16,19,73,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Vasopressin, 1-(3-mercaptopropanoic acid)-8-D-arginine-",16679-58-6,5311065,"(2S)-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide",C1C[C@H](N(C1)C(=O)[C@@H]2CSSCCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N,"InChI=1S/C46H64N14O12S2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52)/t28-,29+,30+,31+,32+,33+,34+/m1/s1",NFLWUMRGJYTJIN-PNIOQBSNSA-N,C46H64N14O12S2,1069.2,1068.426956,-4,489,2040,0,13,15,19,74,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,1,1,0,0
"Vasopressin, 8-L-arginine-9-deglycinamide-",37552-33-3,12962722,"(2S)-2-[[(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid",C1C[C@H](N(C1)C(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O,"InChI=1S/C44H61N13O12S2/c45-26-21-70-71-22-32(42(67)57-17-5-9-33(57)41(66)52-28(43(68)69)8-4-16-50-44(48)49)56-40(65)31(20-35(47)60)55-37(62)27(14-15-34(46)59)51-38(63)30(18-23-6-2-1-3-7-23)54-39(64)29(53-36(26)61)19-24-10-12-25(58)13-11-24/h1-3,6-7,10-13,26-33,58H,4-5,8-9,14-22,45H2,(H2,46,59)(H2,47,60)(H,51,63)(H,52,66)(H,53,61)(H,54,64)(H,55,62)(H,56,65)(H,68,69)(H4,48,49,50)/t26-,27-,28-,29-,30-,31-,32-,33-/m0/s1",SXYIOPJBWYQZRQ-DKTXOJPGSA-N,C44H61N13O12S2,1028.2,1027.400407,-5.8,480,1930,0,13,16,17,71,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CALCON,002538-85-4,135465074,sodium 3-hydroxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate,C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C4=CC=CC=C43)S(=O)(=O)[O-])O)O.[Na+],"InChI=1S/C20H14N2O5S.Na/c23-16-10-9-12-5-1-2-6-13(12)19(16)21-22-20-15-8-4-3-7-14(15)18(11-17(20)24)28(25,26)27;/h1-11,23-24H,(H,25,26,27);/q;+1/p-1",ZQWICJYATMSSSD-UHFFFAOYSA-M,C20H13N2NaO5S,416.4,416.044287,,131,685,0,2,7,3,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,7-NAPHTHALENEDISULFONIC ACID, 3-HYDROXY-4-(1-NAPHTHALENYLAZO)-, DISODIUM SAL",005858-33-3,22134,"disodium;3-hydroxy-4-(naphthalen-1-yldiazenyl)naphthalene-2,7-disulfonate",C1=CC=C2C(=C1)C=CC=C2N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C20H14N2O7S2.2Na/c23-20-18(31(27,28)29)11-13-10-14(30(24,25)26)8-9-16(13)19(20)22-21-17-7-3-5-12-4-1-2-6-15(12)17;;/h1-11,23H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2",LHRXTFDXJQAGAV-UHFFFAOYSA-L,C20H12N2Na2O7S2,502.4,501.9881316,,176,854,0,1,9,2,33,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Phenol, 4,4'-(1,3-phenylenebis(2,2-propanediyl))bis-",13595-25-0,3292100,4-[2-[3-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol,CC(C)(C1=CC=C(C=C1)O)C2=CC(=CC=C2)C(C)(C)C3=CC=C(C=C3)O,"InChI=1S/C24H26O2/c1-23(2,17-8-12-21(25)13-9-17)19-6-5-7-20(16-19)24(3,4)18-10-14-22(26)15-11-18/h5-16,25-26H,1-4H3",PVFQHGDIOXNKIC-UHFFFAOYSA-N,C24H26O2,346.5,346.1932801,6.1,40.5,399,0,2,2,4,26,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,1,0,0
ALPHA-LACTOSE 1-PHOSPHATE BARIUM SALT,103404-65-5,16219600,,C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OP(=O)(O)O)CO)O)O)O)O.[Ba],"InChI=1S/C12H23O14P.Ba/c13-1-3-5(15)6(16)8(18)11(23-3)25-10-4(2-14)24-12(9(19)7(10)17)26-27(20,21)22;/h3-19H,1-2H2,(H2,20,21,22);",FHDYGKLFAARMFP-UHFFFAOYSA-N,C12H23BaO14P,559.6,559.987789,,236,528,0,9,14,6,28,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DODECYL-BETA-D-MALTOSIDE,069227-93-6,114880,"(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-dodecoxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol",CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,"InChI=1S/C24H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-32-23-21(31)19(29)22(16(14-26)34-23)35-24-20(30)18(28)17(27)15(13-25)33-24/h15-31H,2-14H2,1H3/t15-,16-,17-,18+,19-,20-,21-,22-,23-,24-/m1/s1",NLEBIOOXCVAHBD-QKMCSOCLSA-N,C24H46O11,510.6,510.3040123,1.4,179,554,0,7,11,16,35,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-[BIS(TRIMETHYLSILYL)AMINO]PHENYLMAGNESIUM
BROMIDE",756822-47-6,59778117,"magnesium;N,N-bis(trimethylsilyl)aniline;bromide",C[Si](C)(C)N(C1=CC=[C-]C=C1)[Si](C)(C)C.[Mg+2].[Br-],"InChI=1S/C12H22NSi2.BrH.Mg/c1-14(2,3)13(15(4,5)6)12-10-8-7-9-11-12;;/h8-11H,1-6H3;1H;/q-1;;+2/p-1",CVQVXGXZAPFADI-UHFFFAOYSA-M,C12H22BrMgNSi2,340.69,339.03246,,3.2,294,0,0,3,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,5-DIMETHYLBENZALDEHYDE-2,4-DINITROPHENYLHYDRAZONE",152477-96-8,9602967,"N-[(E)-(2,5-dimethylphenyl)methylideneamino]-2,4-dinitroaniline",CC1=CC(=C(C=C1)C)/C=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C15H14N4O4/c1-10-3-4-11(2)12(7-10)9-16-17-14-6-5-13(18(20)21)8-15(14)19(22)23/h3-9,17H,1-2H3/b16-9+",GYDQEABEWIRZLY-CXUHLZMHSA-N,C15H14N4O4,314.3,314.1015049,3.2,116,459,0,1,6,3,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
BRUCINE,000357-57-3,442021,"(4aR,5aS,8aR,13aS,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one",COC1=C(C=C2C(=C1)[C@]34CCN5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5)OC,"InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21-,22-,23+/m0/s1",RRKTZKIUPZVBMF-IBTVXLQLSA-N,C23H26N2O4,394.5,394.1892573,1,51.2,785,0,0,5,2,29,,470 °C,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Glutarimide, 3-ethyl-",78265-96-0,3060768,"4-ethylpiperidine-2,6-dione",CCC1CC(=O)NC(=O)C1,"InChI=1S/C7H11NO2/c1-2-5-3-6(9)8-7(10)4-5/h5H,2-4H2,1H3,(H,8,9,10)",JOXZQJXTAKJQTF-UHFFFAOYSA-N,C7H11NO2,141.17,141.0789786,0.3,46.2,149,0,1,2,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ergoline, 8-beta-((methylthio)methyl)-6-propyl-, methanesulfonate (1:1)",066104-23-2,47812,"(6aR,9R,10aR)-9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline;methanesulfonic acid",CCCN1C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CSC.CS(=O)(=O)O,"InChI=1S/C19H26N2S.CH4O3S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21;1-5(2,3)4/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3;1H3,(H,2,3,4)/t13-,16-,18-;/m1./s1",UWCVGPLTGZWHGS-ZORIOUSZSA-N,C20H30N2O3S2,410.6,410.1697852,,107,480,0,2,5,4,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ergoline-8-beta-methanol, 1,6-dimethyl-10-methoxy-",35155-28-3,198149,"[(6aR,9R)-10a-methoxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]methanol",CN1C[C@@H](CC2([C@H]1CC3=CN(C4=CC=CC2=C34)C)OC)CO,"InChI=1S/C18H24N2O2/c1-19-10-13-7-16-18(22-3,8-12(11-21)9-20(16)2)14-5-4-6-15(19)17(13)14/h4-6,10,12,16,21H,7-9,11H2,1-3H3/t12-,16-,18?/m1/s1",LVXVIPZBNJSUKL-FOKFDTGNSA-N,C18H24N2O2,300.4,300.183778,1.4,37.6,431,0,1,3,2,22,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Thiourea, N-(2-chlorophenyl)-N'-phenyl-",,698358,1-(2-chlorophenyl)-3-phenylthiourea,C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2Cl,"InChI=1S/C13H11ClN2S/c14-11-8-4-5-9-12(11)16-13(17)15-10-6-2-1-3-7-10/h1-9H,(H2,15,16,17)",GJXBIVMCTDXUKR-UHFFFAOYSA-N,C13H11ClN2S,262.76,262.0331472,3.3,56.2,254,0,2,1,2,17,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOXAZIN-5-IUM, 3,7-BIS(DIETHYLAMINO)-, ACETATE",079916-07-7,174194,[7-(diethylamino)phenoxazin-3-ylidene]-diethylazanium acetate,CCN(CC)C1=CC2=C(C=C1)N=C3C=CC(=[N+](CC)CC)C=C3O2.CC(=O)[O-],"InChI=1S/C20H26N3O.C2H4O2/c1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17;1-2(3)4/h9-14H,5-8H2,1-4H3;1H3,(H,3,4)/q+1;/p-1",PAQRKFBPHDBILN-UHFFFAOYSA-M,C22H29N3O3,383.5,383.2208918,,68,558,0,0,5,5,28,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-alpha-H,5-alpha-H-Nortropan-3-alpha-ol, hydrochloride",14383-51-8,84401,8-azabicyclo[3.2.1]octan-3-ol;hydrochloride,C1CC2CC(CC1N2)O.Cl,"InChI=1S/C7H13NO.ClH/c9-7-3-5-1-2-6(4-7)8-5;/h5-9H,1-4H2;1H",RROJVSOIIWHLCQ-UHFFFAOYSA-N,C7H14ClNO,163.64,163.0763918,,32.3,103,0,3,2,0,10,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"9H-Xanthen-9-one, 1,3,6,7-tetrahydroxy-2,8-bis(3-methyl-2-butenyl)-",31271-07-5,5464078,"1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one",CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)O)CC=C(C)C)O)C,"InChI=1S/C23H24O6/c1-11(2)5-7-13-15(24)9-18-20(22(13)27)23(28)19-14(8-6-12(3)4)21(26)16(25)10-17(19)29-18/h5-6,9-10,24-27H,7-8H2,1-4H3",VEZXFTKZUMARDU-UHFFFAOYSA-N,C23H24O6,396.4,396.1572885,5.9,107,662,0,4,6,4,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"9H-Xanthen-9-one, 3,6-bis(2-(dimethylamino)ethoxy)-, dihydrochloride",54593-27-0,124182,"3,6-bis[2-(dimethylamino)ethoxy]xanthen-9-one;dihydrochloride",CN(C)CCOC1=CC2=C(C=C1)C(=O)C3=C(O2)C=C(C=C3)OCCN(C)C.Cl.Cl,"InChI=1S/C21H26N2O4.2ClH/c1-22(2)9-11-25-15-5-7-17-19(13-15)27-20-14-16(26-12-10-23(3)4)6-8-18(20)21(17)24;;/h5-8,13-14H,9-12H2,1-4H3;2*1H",YGPTVYNBVYFRLU-UHFFFAOYSA-N,C21H28Cl2N2O4,443.4,442.1426128,,51.2,445,0,2,6,8,29,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9H-Xanthene-4-acetic acid, 5,6-dimethyl-9-oxo-",117570-53-3,123964,"2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetic acid",CC1=C(C2=C(C=C1)C(=O)C3=CC=CC(=C3O2)CC(=O)O)C,"InChI=1S/C17H14O4/c1-9-6-7-13-15(20)12-5-3-4-11(8-14(18)19)17(12)21-16(13)10(9)2/h3-7H,8H2,1-2H3,(H,18,19)",XGOYIMQSIKSOBS-UHFFFAOYSA-N,C17H14O4,282.29,282.0892089,3.2,63.6,433,0,1,4,2,21,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-PYRIDINETHIOL, 1-OXIDE, SODIUM SALT",003811-73-2,19658,sodium 1-oxidopyridine-2-thione,C1=CC(=S)N(C=C1)[O-].[Na+],InChI=1S/C5H4NOS.Na/c7-6-4-2-1-3-5(6)8;/h1-4H;/q-1;+1,XNRNJIIJLOFJEK-UHFFFAOYSA-N,C5H4NNaOS,149.15,148.9911292,,58.4,162,0,0,2,0,9,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,1,0
"2H-BENZIMIDAZOLE-2-THIONE, 5-AMINO-1,3-DIHYDRO-",002818-66-8,2734002,"5-amino-1,3-dihydrobenzimidazole-2-thione",C1=CC2=C(C=C1N)NC(=S)N2,"InChI=1S/C7H7N3S/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,8H2,(H2,9,10,11)",BXDMTLVCACMNJO-UHFFFAOYSA-N,C7H7N3S,165.22,165.0360684,1,82.2,183,0,3,2,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Benzimidazolinethione, 5-chloro-",25369-78-2,2056429,"5-chloro-1,3-dihydrobenzimidazole-2-thione",C1=CC2=C(C=C1Cl)NC(=S)N2,"InChI=1S/C7H5ClN2S/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H2,9,10,11)",ZZIHEYOZBRPWMB-UHFFFAOYSA-N,C7H5ClN2S,184.65,183.986197,2.3,56.2,185,0,2,1,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-",112811-59-3,5379,1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid,CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F,"InChI=1S/C19H22FN3O4/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26)",XUBOMFCQGDBHNK-UHFFFAOYSA-N,C19H22FN3O4,375.4,375.1594344,-0.7,82.1,653,0,2,8,4,27,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
(4-METHYL-1-NAPHTHYL)-(1-PENTYLINDOL-3-YL)METHANONE,619294-47-2,44466638,(4-methylnaphthalen-1-yl)-(1-pentylindol-3-yl)methanone,CCCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=C(C4=CC=CC=C43)C,"InChI=1S/C25H25NO/c1-3-4-9-16-26-17-23(21-12-7-8-13-24(21)26)25(27)22-15-14-18(2)19-10-5-6-11-20(19)22/h5-8,10-15,17H,3-4,9,16H2,1-2H3",HUKJQMKQFWYIHS-UHFFFAOYSA-N,C25H25NO,355.5,355.1936144,6.7,22,503,0,0,1,6,27,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"IRIDIUM, CARBONYLCHLOROBIS(TRIPHENYLPHOSPHINE)-",014871-41-1,492275,carbon monoxide;iridium;bis(triphenylphosphane);chloride,[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Ir],InChI=1S/2C18H15P.CO.ClH.Ir/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;;/h2*1-15H;;1H;/p-1,VSPLSJCNZPDHCN-UHFFFAOYSA-M,C37H30ClIrOP2-,780.2,780.10897,,1,212,-1,0,2,6,42,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-HYDROXYPIPERIDIN-2-ONE,019365-08-3,264990,3-hydroxypiperidin-2-one,C1CC(C(=O)NC1)O,"InChI=1S/C5H9NO2/c7-4-2-1-3-6-5(4)8/h4,7H,1-3H2,(H,6,8)",RYKLZUPYJFFNRR-UHFFFAOYSA-N,C5H9NO2,115.13,115.0633285,-0.6,49.3,103,0,2,2,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DELTA-VALEROLACTAM,000675-20-7,12665,piperidin-2-one,C1CCNC(=O)C1,"InChI=1S/C5H9NO/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7)",XUWHAWMETYGRKB-UHFFFAOYSA-N,C5H9NO,99.13,99.06841391,-0.5,29.1,80,0,1,1,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PRALLETHRIN,023031-36-9,9839306,"(2-methyl-4-oxo-3-prop-2-ynylcyclopent-2-en-1-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate",CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC#C,"InChI=1S/C19H24O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h1,9,14,16-17H,8,10H2,2-6H3",SMKRKQBMYOFFMU-UHFFFAOYSA-N,C19H24O3,300.4,300.1725446,4.3,43.4,620,0,0,3,5,22,139 °C (282 °F) - closed cup,313.5 °C at 760 mm Hg,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, ester with 2-(2-butenyl)-4-hydroxy-3-methyl-2-cyclopenten-1-one",25402-06-6,5281547,"cis-[(1S)-3-[(Z)-but-2-enyl]-2-methyl-4-oxocyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate",C/C=C\CC1=C([C@H](CC1=O)OC(=O)[C@@H]2[C@H](C2(C)C)C=C(C)C)C,"InChI=1S/C20H28O3/c1-7-8-9-14-13(4)17(11-16(14)21)23-19(22)18-15(10-12(2)3)20(18,5)6/h7-8,10,15,17-18H,9,11H2,1-6H3/b8-7-/t15-,17+,18+/m1/s1",FMTFEIJHMMQUJI-DFKXKMKHSA-N,C20H28O3,316.4,316.2038448,5,43.4,600,0,0,3,6,23,,BP: 200 °C at 0.1 mm Hg,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
ESTRONE 3-METHYL ETHER,001624-62-0,92895,"(8R,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one",C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OC,"InChI=1S/C19H24O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-17H,3,5,7-10H2,1-2H3/t15-,16-,17+,19+/m1/s1",BCWWDWHFBMPLFQ-VXNCWWDNSA-N,C19H24O2,284.4,284.17763,3.5,26.3,431,0,0,2,1,21,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-BENZ[DE]ISOQUINOLINE-1,3(2H)-DIONE, 6-AMINO-",001742-95-6,1720,"6-aminobenzo[de]isoquinoline-1,3-dione",C1=CC2=C(C=CC3=C2C(=C1)C(=O)NC3=O)N,"InChI=1S/C12H8N2O2/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(15)14-12(8)16/h1-5H,13H2,(H,14,15,16)",SSMIFVHARFVINF-UHFFFAOYSA-N,C12H8N2O2,212.2,212.0585775,1.3,72.2,342,0,2,3,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Naphthalimide, N-hydroxy-, diethyl phosphate",1491-41-4,15148,"(1,3-dioxobenzo[de]isoquinolin-2-yl) diethyl phosphate",CCOP(=O)(OCC)ON1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O,"InChI=1S/C16H16NO6P/c1-3-21-24(20,22-4-2)23-17-15(18)12-9-5-7-11-8-6-10-13(14(11)12)16(17)19/h5-10H,3-4H2,1-2H3",QNSIFYWAPWSAIJ-UHFFFAOYSA-N,C16H16NO6P,349.27,349.0715242,2.4,82.1,513,0,0,6,6,24,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
A-NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE SODIUM,108392-03-6,92043164,"sodium [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5S)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate",C1=CC(=C[N+](=C1)[C@@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=O)N.[Na+],"InChI=1S/C21H28N7O17P3.Na/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32;/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39);/q;+1/p-1/t10-,11-,13-,14-,15-,16-,20+,21-;/m1./s1",JNUMDLCHLVUHFS-VUWULMATSA-M,C21H27N7NaO17P3,765.4,765.0573977,,370,1290,0,7,21,13,49,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ANISINDIONE,000117-37-3,2197,"2-(4-methoxyphenyl)indene-1,3-dione",COC1=CC=C(C=C1)C2C(=O)C3=CC=CC=C3C2=O,"InChI=1S/C16H12O3/c1-19-11-8-6-10(7-9-11)14-15(17)12-4-2-3-5-13(12)16(14)18/h2-9,14H,1H3",XRCFXMGQEVUZFC-UHFFFAOYSA-N,C16H12O3,252.26,252.0786442,2.9,43.4,344,0,0,3,2,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-Indandione, 2-phenyl-",83-12-5,4760,"2-phenylindene-1,3-dione",C1=CC=C(C=C1)C2C(=O)C3=CC=CC=C3C2=O,"InChI=1S/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H",NFBAXHOPROOJAW-UHFFFAOYSA-N,C15H10O2,222.24,222.0680796,2.9,34.1,304,0,0,2,1,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
SYRINGALDAZINE,014414-32-5,84422,"4-[[(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-2,6-dimethoxyphenol",COC1=CC(=CC(=C1O)OC)C=NN=CC2=CC(=C(C(=C2)OC)O)OC,"InChI=1S/C18H20N2O6/c1-23-13-5-11(6-14(24-2)17(13)21)9-19-20-10-12-7-15(25-3)18(22)16(8-12)26-4/h5-10,21-22H,1-4H3",YARKTHNUMGKMGS-UHFFFAOYSA-N,C18H20N2O6,360.4,360.1321364,2.5,102,405,0,2,8,7,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
FLUALPRAZOLAM,028910-91-0,10359044,"8-chloro-6-(2-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine",CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F,"InChI=1S/C17H12ClFN4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3",MPZVLJCMGPYWQQ-UHFFFAOYSA-N,C17H12ClFN4,326.8,326.0734523,1.9,43.1,474,0,0,4,1,23,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
FLUBROMAZOLAM,612526-40-6,21930924,"8-bromo-6-(2-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine",CC1=NN=C2N1C3=C(C=C(C=C3)Br)C(=NC2)C4=CC=CC=C4F,"InChI=1S/C17H12BrFN4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3",VXGSZBZQCBNUIP-UHFFFAOYSA-N,C17H12BrFN4,371.2,370.02294,2,43.1,474,0,0,4,1,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
CLONAZOLAM,033887-02-4,12317881,"6-(2-chlorophenyl)-1-methyl-8-nitro-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine",CC1=NN=C2N1C3=C(C=C(C=C3)[N+](=O)[O-])C(=NC2)C4=CC=CC=C4Cl,"InChI=1S/C17H12ClN5O2/c1-10-20-21-16-9-19-17(12-4-2-3-5-14(12)18)13-8-11(23(24)25)6-7-15(13)22(10)16/h2-8H,9H2,1H3",XJRGLCAWBRZUFC-UHFFFAOYSA-N,C17H12ClN5O2,353.8,353.0679523,1.6,88.9,554,0,0,5,1,25,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
ESTAZOLAM,029975-16-4,3261,"8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine",C1C2=NN=CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4,"InChI=1S/C16H11ClN4/c17-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)18-9-15-20-19-10-21(14)15/h1-8,10H,9H2",CDCHDCWJMGXXRH-UHFFFAOYSA-N,C16H11ClN4,294.74,294.0672241,1.7,43.1,407,0,0,3,1,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOTHIAZOLIUM, 3-ETHYL-, IODIDE",003119-94-6,10017139,"3-ethyl-1,3-benzothiazol-3-ium iodide",CC[N+]1=CSC2=CC=CC=C21.[I-],"InChI=1S/C9H10NS.HI/c1-2-10-7-11-9-6-4-3-5-8(9)10;/h3-7H,2H2,1H3;1H/q+1;/p-1",BUSBIZJDTNTELP-UHFFFAOYSA-M,C9H10INS,291.15,290.95787,,32.1,138,0,0,2,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzothiazolium, 3-methyl-2-methylthio-, iodide",20064-98-6,29931,"3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium iodide",C[N+]1=C(SC2=CC=CC=C21)SC.[I-],"InChI=1S/C9H10NS2.HI/c1-10-7-5-3-4-6-8(7)12-9(10)11-2;/h3-6H,1-2H3;1H/q+1;/p-1",RKIVJTIIEWIWTN-UHFFFAOYSA-M,C9H10INS2,323.2,322.92994,,57.4,163,0,0,3,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"3-Quinolinecarboxylic acid, 1,4-dihydro-1-ethyl-6-fluoro-7-(4-methyl-1-piperaz",070458-92-3,51081,1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid,CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)O,"InChI=1S/C17H20FN3O3/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21/h8-10H,3-7H2,1-2H3,(H,23,24)",FHFYDNQZQSQIAI-UHFFFAOYSA-N,C17H20FN3O3,333.36,333.1488697,0.3,64.1,545,0,1,7,3,24,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Quinolinecarboxylic acid, 1,4-dihydro-6,8-difluoro-1-ethyl-7-(3-methyl-1-pip",098079-52-8,68624,"1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrochloride",CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCNC(C3)C)F)C(=O)O.Cl,"InChI=1S/C17H19F2N3O3.ClH/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22;/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25);1H",KXEBLAPZMOQCKO-UHFFFAOYSA-N,C17H20ClF2N3O3,387.8,387.1161255,,72.9,585,0,3,8,3,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Quinolinecarboxylic acid, 1,4-dihydro-6,8-difluoro-1-(2-fluoroethyl)-7-(4-me",079660-72-3,3357,"6,8-difluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid",CN1CCN(CC1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)CCF)F,"InChI=1S/C17H18F3N3O3/c1-21-4-6-22(7-5-21)15-12(19)8-10-14(13(15)20)23(3-2-18)9-11(16(10)24)17(25)26/h8-9H,2-7H2,1H3,(H,25,26)",XBJBPGROQZJDOJ-UHFFFAOYSA-N,C17H18F3N3O3,369.34,369.1300259,-0.1,64.1,595,0,1,9,4,26,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"3-Quinolinecarboxylic acid, 1,4-dihydro-1-ethyl-6-fluoro-7-(4-methyl-1-piperazinyl)-4-oxo-,monomethanesulfonate, dihydrate",70458-95-6,119525,1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;methanesulfonic acid,CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)O.CS(=O)(=O)O,"InChI=1S/C17H20FN3O3.CH4O3S/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21;1-5(2,3)4/h8-10H,3-7H2,1-2H3,(H,23,24);1H3,(H,2,3,4)",HQQSBEDKMRHYME-UHFFFAOYSA-N,C18H24FN3O6S,429.5,429.1369848,,127,638,0,2,10,3,29,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((aminophenylacetyl)amino)-3-chloro-8-oxo-, monohydrate, (6R-(6-alpha,7-beta(R*)))-",70356-03-5,51038,"(6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrate",C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)Cl.O,"InChI=1S/C15H14ClN3O4S.H2O/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7;/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23);1H2/t9-,10-,14-;/m1./s1",WKJGTOYAEQDNIA-IOOZKYRYSA-N,C15H16ClN3O5S,385.8,385.0499195,,139,606,0,4,7,4,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((aminophenylacetyl)a",053994-73-3,51039,"(6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)Cl,"InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10-,14-/m1/s1",QYIYFLOTGYLRGG-GPCCPHFNSA-N,C15H14ClN3O4S,367.8,367.0393548,-1.8,138,606,0,3,6,4,24,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"N-[[(4-CHLOROPHENYL)AMINO]CARBONYL]-2,6-DIFLUOROBENZAMIDE",035367-38-5,37123,"N-[(4-chlorophenyl)carbamoyl]-2,6-difluorobenzamide",C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC=C(C=C2)Cl)F,"InChI=1S/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)",QQQYTWIFVNKMRW-UHFFFAOYSA-N,C14H9ClF2N2O2,310.68,310.0320616,3.9,58.2,379,0,2,4,2,21,,BP: 257 °C at 300 mm Hg,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"Benzamide, N-(((3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl)amino)carbonyl)-2,6-difluoro-",86479-06-3,91741,"N-[[3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]-2,6-difluorobenzamide",C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C(=C2)Cl)OC(C(F)F)(F)F)Cl)F,"InChI=1S/C16H8Cl2F6N2O3/c17-7-4-6(5-8(18)12(7)29-16(23,24)14(21)22)25-15(28)26-13(27)11-9(19)2-1-3-10(11)20/h1-5,14H,(H2,25,26,27,28)",RGNPBRKPHBKNKX-UHFFFAOYSA-N,C16H8Cl2F6N2O3,461.1,459.9816165,5.7,67.4,581,0,2,9,5,29,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
PHLORETIN,000060-82-2,4788,"3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one",C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O,"InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2",VGEREEWJJVICBM-UHFFFAOYSA-N,C15H14O5,274.27,274.0841235,2.6,98,312,0,4,5,4,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenebutanenitrile, gamma-oxo-alpha-phenyl-",6268-00-4,95364,"4-oxo-2,4-diphenylbutanenitrile",C1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C#N,"InChI=1S/C16H13NO/c17-12-15(13-7-3-1-4-8-13)11-16(18)14-9-5-2-6-10-14/h1-10,15H,11H2",JRWUFQJVJGKCCT-UHFFFAOYSA-N,C16H13NO,235.28,235.099714,2.9,40.9,315,0,0,2,4,18,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Propanone, 1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-phenyl-",54063-53-5,4932,1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one,CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O,"InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3",JWHAUXFOSRPERK-UHFFFAOYSA-N,C21H27NO3,341.4,341.1990937,3.3,58.6,368,0,2,4,11,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-TERT-BUTYLBENZO-15-CROWN-5,015196-73-3,601053,"17-tert-butyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene",CC(C)(C)C1=CC2=C(C=C1)OCCOCCOCCOCCO2,"InChI=1S/C18H28O5/c1-18(2,3)15-4-5-16-17(14-15)23-13-11-21-9-7-19-6-8-20-10-12-22-16/h4-5,14H,6-13H2,1-3H3",LNNVNAOXLAULPK-UHFFFAOYSA-N,C18H28O5,324.4,324.193674,2.3,46.2,315,0,0,5,1,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-HYDROXY-, 3,3,5-TRIMETHYLCYCLOHEXYL ESTER",000118-56-9,8362,"(3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate",CC1CC(CC(C1)(C)C)OC(=O)C2=CC=CC=C2O,"InChI=1S/C16H22O3/c1-11-8-12(10-16(2,3)9-11)19-15(18)13-6-4-5-7-14(13)17/h4-7,11-12,17H,8-10H2,1-3H3",WSSJONWNBBTCMG-UHFFFAOYSA-N,C16H22O3,262.34,262.1568946,5,46.5,324,0,1,3,3,19,"greater than 200 °F (NTP, 1992)","322 to 329 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,1
"Phosphonic acid, ((2-(6-amino-9H-purin-9-yl)ethoxy)methyl)-",106941-25-7,60172,2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid,C1=NC(=C2C(=N1)N(C=N2)CCOCP(=O)(O)O)N,"InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)",SUPKOOSCJHTBAH-UHFFFAOYSA-N,C8H12N5O4P,273.19,273.0626909,-2,136,327,0,3,8,5,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphonic acid, (((1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy)methyl)-",147127-20-6,464205,[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid,C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)O,"InChI=1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17)/t6-/m1/s1",SGOIRFVFHAKUTI-ZCFIWIBFSA-N,C9H14N5O4P,287.21,287.0783409,-1.6,136,354,0,3,8,5,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"PHENOL, 4-[[4,6-BIS(OCTYLTHIO)-1,3,5-TRIAZIN-2-YL]AMINO]-2,6-BIS(1,1-DIMETHYLE",000991-84-4,70431,"4-[[4,6-bis(octylsulfanyl)-1,3,5-triazin-2-yl]amino]-2,6-ditert-butylphenol",CCCCCCCCSC1=NC(=NC(=N1)NC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)SCCCCCCCC,"InChI=1S/C33H56N4OS2/c1-9-11-13-15-17-19-21-39-30-35-29(36-31(37-30)40-22-20-18-16-14-12-10-2)34-25-23-26(32(3,4)5)28(38)27(24-25)33(6,7)8/h23-24,38H,9-22H2,1-8H3,(H,34,35,36,37)",QRLSTWVLSWCGBT-UHFFFAOYSA-N,C33H56N4OS2,589,588.3895548,13.4,122,603,0,2,7,20,40,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-Isobenzofurancarbonitrile, 1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydro-,monohydrobromide",59729-32-7,77995,1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide,CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.Br,"InChI=1S/C20H21FN2O.BrH/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;/h4-9,12H,3,10-11,14H2,1-2H3;1H",WIHMBLDNRMIGDW-UHFFFAOYSA-N,C20H22BrFN2O,405.3,404.08995,,36.3,466,0,1,4,5,25,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-Isobenzofurancarbonitrile, 1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydro-, (1R)-, ethanedioate (1:1)",219861-53-7,45038690,(1R)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;oxalic acid,CN(C)CCC[C@]1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O,"InChI=1S/C20H21FN2O.C2H2O4/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;3-1(4)2(5)6/h4-9,12H,3,10-11,14H2,1-2H3;(H,3,4)(H,5,6)/t20-;/m1./s1",KTGRHKOEFSJQNS-VEIFNGETSA-N,C22H23FN2O5,414.4,414.1591,,111,537,0,2,8,6,30,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-1-Benzopyran-4-one, 7-methoxy-3-phenoxy-",73023-14-0,746327,7-methoxy-3-phenoxychromen-4-one,COC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3,"InChI=1S/C16H12O4/c1-18-12-7-8-13-14(9-12)19-10-15(16(13)17)20-11-5-3-2-4-6-11/h2-10H,1H3",ZGTJGDONIKWWKA-UHFFFAOYSA-N,C16H12O4,268.26,268.0735589,3.3,44.8,384,0,0,4,3,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"4H-1-Benzopyran-4-one, 7-hydroxy-3-phenoxy-2-(trifluoromethyl)-",137460-59-4,5322253,7-hydroxy-3-phenoxy-2-(trifluoromethyl)chromen-4-one,C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)O)C(F)(F)F,"InChI=1S/C16H9F3O4/c17-16(18,19)15-14(22-10-4-2-1-3-5-10)13(21)11-7-6-9(20)8-12(11)23-15/h1-8,20H",FDXSCZFRCZEOGP-UHFFFAOYSA-N,C16H9F3O4,322.23,322.0452933,3.8,55.8,494,0,1,7,2,23,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(2-fluorophenoxy)-",137988-08-0,797411,[3-(2-fluorophenoxy)-4-oxochromen-7-yl] acetate,CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3F,"InChI=1S/C17H11FO5/c1-10(19)22-11-6-7-12-15(8-11)21-9-16(17(12)20)23-14-5-3-2-4-13(14)18/h2-9H,1H3",CJWWSRKILKZJHK-UHFFFAOYSA-N,C17H11FO5,314.26,314.0590516,3.1,61.8,503,0,0,6,4,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Naphthacenecarboxamide, 1,4,4a,5,5a,6,11,12a-octahydro-4-(dimethylamino)-1,11-dioxo-6-methyl-3,6,10,12,12a-pentahydroxy-, 4-epimer, hydrochloride",23313-80-6,54686189,"(4R,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride",C[C@@]1([C@H]2C[C@H]3[C@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.Cl,"InChI=1S/C22H24N2O8.ClH/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28;/h4-6,9-10,15,25-26,29,31-32H,7H2,1-3H3,(H2,23,30);1H/t9-,10-,15+,21+,22-;/m0./s1",YCIHPQHVWDULOY-DXDJYCPMSA-N,C22H25ClN2O8,480.9,480.1299435,,182,971,0,7,9,2,33,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"BROMOCRESOL PURPLE, SODIUM SALT",062625-30-3,3830446,"sodium 2-[(3-bromo-4-hydroxy-5-methylphenyl)-(3-bromo-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate",CC1=CC(=CC(=C1O)Br)C(=C2C=C(C(=O)C(=C2)Br)C)C3=CC=CC=C3S(=O)(=O)[O-].[Na+],"InChI=1S/C21H16Br2O5S.Na/c1-11-7-13(9-16(22)20(11)24)19(14-8-12(2)21(25)17(23)10-14)15-5-3-4-6-18(15)29(26,27)28;/h3-10,24H,1-2H3,(H,26,27,28);/q;+1/p-1",KVSJYIXUWNOWBD-UHFFFAOYSA-M,C21H15Br2NaO5S,562.2,561.88841,,103,874,0,1,5,3,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4a(2H)-Naphthalenol, octahydro-4,8a-dimethyl-, (4S-(4-alpha,4a-alpha,8a-beta))-",19700-21-1,29746,"(4S,4aS,8aR)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol",C[C@H]1CCC[C@@]2([C@@]1(CCCC2)O)C,"InChI=1S/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3/t10-,11+,12-/m0/s1",JLPUXFOGCDVKGO-TUAOUCFPSA-N,C12H22O,182.3,182.1670653,3.3,20.2,201,0,1,1,0,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
5-METHYL-1H-TETRAZOLE,004076-36-2,138107,5-methyl-2H-tetrazole,CC1=NNN=N1,"InChI=1S/C2H4N4/c1-2-3-5-6-4-2/h1H3,(H,3,4,5,6)",XZGLNCKSNVGDNX-UHFFFAOYSA-N,C2H4N4,84.08,84.04359615,-0.1,54.5,44,0,1,3,0,6,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
CYCLOPENTADIENE,000542-92-7,7612,"cyclopenta-1,3-diene",C1C=CC=C1,"InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2",ZSWFCLXCOIISFI-UHFFFAOYSA-N,C5H6,66.1,66.04695019,1.8,0,58,0,0,0,0,5,"77 °F (NIOSH, 2024)","107 °F at 760 mmHg (NIOSH, 2024)",0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,5-CYCLOOCTADIENE",000111-78-4,82916,"(1Z,5Z)-cycloocta-1,5-diene",C1/C=C\CC/C=C\C1,"InChI=1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-2,7-8H,3-6H2/b2-1-,8-7-",VYXHVRARDIDEHS-QGTKBVGQSA-N,C8H12,108.18,108.0939004,3.2,0,72,0,0,0,0,8,95 °F,150.8 °C @ 757 MM HG,1,0,1,1,1,0,1,1,1,0,0,0,0,0,0,0,1,1,0,0
"1,5-DIMETHYL-1,5-CYCLOOCTADIENE",003760-14-3,5365758,"(1Z,5Z)-1,5-dimethylcycloocta-1,5-diene",C/C/1=C/CC/C(=C\CC1)/C,"InChI=1S/C10H16/c1-9-5-3-7-10(2)8-4-6-9/h5,8H,3-4,6-7H2,1-2H3/b9-5-,10-8-",RYOGZVTWMZNTGL-UDRCNDPASA-N,C10H16,136.23,136.1252005,2.6,0,141,0,0,0,0,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"BIS(ACETONITRILE)(1,5-CYCLOOCTADIENE)RHODIUM(I)TETRAFLUOROBORATE",032679-02-0,11132655,"bis(acetonitrile);(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate",[B-](F)(F)(F)F.CC#N.CC#N.C1/C=C\CC/C=C\C1.[Rh],"InChI=1S/C8H12.2C2H3N.BF4.Rh/c1-2-4-6-8-7-5-3-1;2*1-2-3;2-1(3,4)5;/h1-2,7-8H,3-6H2;2*1H3;;/q;;;-1;/b2-1-,8-7-;;;;",ZIBLHOBPBGAKNV-SUESZSCISA-N,C12H18BF4N2Rh-,380,380.05541,,47.6,121,-1,0,7,0,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CYCLOHEPTANAMINE,005452-35-7,2899,cycloheptanamine,C1CCCC(CC1)N,"InChI=1S/C7H15N/c8-7-5-3-1-2-4-6-7/h7H,1-6,8H2",VXVVUHQULXCUPF-UHFFFAOYSA-N,C7H15N,113.2,113.1204495,2,26,53,0,1,1,0,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
CYCLOHEPTANECARBOXYLIC ACID,001460-16-8,15091,cycloheptanecarboxylic acid,C1CCCC(CC1)C(=O)O,"InChI=1S/C8H14O2/c9-8(10)7-5-3-1-2-4-6-7/h7H,1-6H2,(H,9,10)",VZFUCHSFHOYXIS-UHFFFAOYSA-N,C8H14O2,142.2,142.0993797,2.4,37.3,112,0,1,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
VINYLBORONIC ACID PINACOL ESTER (STABILIZED),075927-49-0,5233012,"2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane",B1(OC(C(O1)(C)C)(C)C)C=C,"InChI=1S/C8H15BO2/c1-6-9-10-7(2,3)8(4,5)11-9/h6H,1H2,2-5H3",DPGSPRJLAZGUBQ-UHFFFAOYSA-N,C8H15BO2,154.02,154.1165099,,18.5,159,0,0,2,1,11,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"3(2H)-FURANONE, 4-METHOXY-2,5-DIMETHYL-",004077-47-8,61325,"4-methoxy-2,5-dimethylfuran-3-one",CC1C(=O)C(=C(O1)C)OC,"InChI=1S/C7H10O3/c1-4-6(8)7(9-3)5(2)10-4/h4H,1-3H3",SIMKGHMLPVDSJE-UHFFFAOYSA-N,C7H10O3,142.15,142.0629942,1,35.5,193,0,0,3,1,10,,221.00 to 222.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3(2H)-FURANONE, 4-HYDROXY-5-METHYL-",019322-27-1,4564493,4-hydroxy-5-methylfuran-3-one,CC1=C(C(=O)CO1)O,"InChI=1S/C5H6O3/c1-3-5(7)4(6)2-8-3/h7H,2H2,1H3",DLVYTANECMRFGX-UHFFFAOYSA-N,C5H6O3,114.1,114.031694,0.3,46.5,157,0,1,3,0,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3(2H)-FURANONE, 5-ETHYL-4-HYDROXY-2-METHYL-",027538-09-6,93111,5-ethyl-4-hydroxy-2-methylfuran-3-one,CCC1=C(C(=O)C(O1)C)O,"InChI=1S/C7H10O3/c1-3-5-7(9)6(8)4(2)10-5/h4,9H,3H2,1-2H3",QJYOEDXNPLUUAR-UHFFFAOYSA-N,C7H10O3,142.15,142.0629942,1.1,46.5,193,0,1,3,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Glucitol, 1,4:3,6-dianhydro-, 2-nitrate, D-",16106-20-0,62989,"[(3R,3aR,6S,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate",C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O[N+](=O)[O-])O,"InChI=1S/C6H9NO6/c8-3-1-11-6-4(13-7(9)10)2-12-5(3)6/h3-6,8H,1-2H2/t3-,4+,5-,6-/m1/s1",YWXYYJSYQOXTPL-JGWLITMVSA-N,C6H9NO6,191.14,191.042987,-0.4,93.7,216,0,1,6,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,1,1,0,0,1
"Mannitol, 1,4:3,6-dianhydro-",28218-68-0,99937,"2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol",C1C(C2C(O1)C(CO2)O)O,"InChI=1S/C6H10O4/c7-3-1-9-6-4(8)2-10-5(3)6/h3-8H,1-2H2",KLDXJTOLSGUMSJ-UHFFFAOYSA-N,C6H10O4,146.14,146.0579088,-1.4,58.9,122,0,2,4,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 4-NONYL-, PHOSPHITE (3:1)",003050-88-2,76452,tris(4-nonylphenyl) phosphite,CCCCCCCCCC1=CC=C(C=C1)OP(OC2=CC=C(C=C2)CCCCCCCCC)OC3=CC=C(C=C3)CCCCCCCCC,"InChI=1S/C45H69O3P/c1-4-7-10-13-16-19-22-25-40-28-34-43(35-29-40)46-49(47-44-36-30-41(31-37-44)26-23-20-17-14-11-8-5-2)48-45-38-32-42(33-39-45)27-24-21-18-15-12-9-6-3/h28-39H,4-27H2,1-3H3",MGMXGCZJYUCMGY-UHFFFAOYSA-N,C45H69O3P,689,688.4984331,19.3,27.7,613,0,0,3,30,49,207 °C (405 °F) - closed cup,">300 °C, OECD Guideline 103 (Boiling point/boiling range), has an onset of degradation at 322 °C under nitrogen",1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Coumarin, 3-(alpha-acetonyl-p-chlorobenzyl)-4-hydroxy-",81-82-3,54682651,3-[1-(4-chlorophenyl)-3-oxobutyl]-4-hydroxychromen-2-one,CC(=O)CC(C1=CC=C(C=C1)Cl)C2=C(C3=CC=CC=C3OC2=O)O,"InChI=1S/C19H15ClO4/c1-11(21)10-15(12-6-8-13(20)9-7-12)17-18(22)14-4-2-3-5-16(14)24-19(17)23/h2-9,15,22H,10H2,1H3",DEKWZWCFHUABHE-UHFFFAOYSA-N,C19H15ClO4,342.8,342.0658866,3.3,63.6,533,0,1,4,4,24,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
INDOMETHACIN,000053-86-1,3715,2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid,CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O,"InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)",CGIGDMFJXJATDK-UHFFFAOYSA-N,C19H16ClNO4,357.8,357.0767857,4.3,68.5,506,0,1,4,4,25,,,0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,0,1,1,1
"1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 2-(1,1-dimethylethoxy)-2-oxoethyl ester",75302-98-6,13388202,[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate,CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)OC(C)(C)C,"InChI=1S/C25H26ClNO6/c1-15-19(13-22(28)32-14-23(29)33-25(2,3)4)20-12-18(31-5)10-11-21(20)27(15)24(30)16-6-8-17(26)9-7-16/h6-12H,13-14H2,1-5H3",FPYWWHOBBPHPFR-UHFFFAOYSA-N,C25H26ClNO6,471.9,471.1448652,5.5,83.8,714,0,0,6,9,33,,,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"6H-Dibenzo(b,d)pyran-6-one, 3-hydroxy-",1139-83-9,5380406,3-hydroxybenzo[c]chromen-6-one,C1=CC=C2C(=C1)C3=C(C=C(C=C3)O)OC2=O,"InChI=1S/C13H8O3/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)16-12(10)7-8/h1-7,14H",WXUQMTRHPNOXBV-UHFFFAOYSA-N,C13H8O3,212.2,212.0473441,2.7,46.5,289,0,1,3,0,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Trichothec-9-en-8-one, 15-(acetyloxy)-12,13-epoxy-3,7-dihydroxy-, (3-alpha,7-alpha)-",88337-96-6,10382483,"[(1R,2R,3S,7R,9R,10R,12S)-3,10-dihydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate",CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)COC(=O)C,"InChI=1S/C17H22O7/c1-8-4-11-16(6-22-9(2)18,13(21)12(8)20)15(3)5-10(19)14(24-11)17(15)7-23-17/h4,10-11,13-14,19,21H,5-7H2,1-3H3/t10-,11-,13-,14-,15-,16-,17+/m1/s1",IDGRYIRJIFKTAN-HTJQZXIKSA-N,C17H22O7,338.4,338.136553,-0.7,106,657,0,2,7,3,24,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
OCTHILINONE,026530-20-1,33528,"2-octyl-1,2-thiazol-3-one",CCCCCCCCN1C(=O)C=CS1,"InChI=1S/C11H19NOS/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12/h8,10H,2-7,9H2,1H3",JPMIIZHYYWMHDT-UHFFFAOYSA-N,C11H19NOS,213.34,213.1187354,3.5,45.6,203,0,0,2,7,14,"greater than 200 °F (NTP, 1992)","248 °F at 0.01 mmHg (NTP, 1992)",1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
5-CHLOROISATOIC ANHYDRIDE,004743-17-3,78480,"6-chloro-1H-3,1-benzoxazine-2,4-dione",C1=CC2=C(C=C1Cl)C(=O)OC(=O)N2,"InChI=1S/C8H4ClNO3/c9-4-1-2-6-5(3-4)7(11)13-8(12)10-6/h1-3H,(H,10,12)",MYQFJMYJVJRSGP-UHFFFAOYSA-N,C8H4ClNO3,197.57,196.9879707,1.6,55.4,256,0,1,3,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ISATOIC ANHYDRIDE,000118-48-9,8359,"1H-3,1-benzoxazine-2,4-dione",C1=CC=C2C(=C1)C(=O)OC(=O)N2,"InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)9-8(11)12-7/h1-4H,(H,9,11)",TXJUTRJFNRYTHH-UHFFFAOYSA-N,C8H5NO3,163.13,163.026943,1,55.4,226,0,1,3,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"(R)-(+)-1,1'-BI-2-NAPHTHOL",018531-94-7,11762,1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol,C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)O)O,"InChI=1S/C20H14O2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,21-22H",PPTXVXKCQZKFBN-UHFFFAOYSA-N,C20H14O2,286.3,286.0993797,5.3,40.5,346,0,2,2,1,22,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2'-BITHIOPHENE-5-CARBOXALDEHYDE",003779-27-9,364428,5-thiophen-2-ylthiophene-2-carbaldehyde,C1=CSC(=C1)C2=CC=C(S2)C=O,InChI=1S/C9H6OS2/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h1-6H,FYBWRAXKYXTOQC-UHFFFAOYSA-N,C9H6OS2,194.3,193.9860072,2.8,73.6,172,0,0,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4(3H)-Quinazolinone, 6-amino-2-fluoromethyl-3-(o-tolyl)-",56287-74-2,2040,6-amino-2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4-one,CC1=CC=CC=C1N2C(=NC3=C(C2=O)C=C(C=C3)N)CF,"InChI=1S/C16H14FN3O/c1-10-4-2-3-5-14(10)20-15(9-17)19-13-7-6-11(18)8-12(13)16(20)21/h2-8H,9,18H2,1H3",VDOSWXIDETXFET-UHFFFAOYSA-N,C16H14FN3O,283.3,283.1120902,2.2,58.7,439,0,1,4,2,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"METHANONE, DIPHENYL-, HYDRAZONE",005350-57-2,79304,benzhydrylidenehydrazine,C1=CC=C(C=C1)C(=NN)C2=CC=CC=C2,"InChI=1S/C13H12N2/c14-15-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,14H2",QYCSNMDOZNUZIT-UHFFFAOYSA-N,C13H12N2,196.25,196.1000484,2.8,38.4,191,0,1,2,2,15,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
ALPHA-PHENYLBENZENEMETHANIMINE,001013-88-3,136809,diphenylmethanimine,C1=CC=C(C=C1)C(=N)C2=CC=CC=C2,"InChI=1S/C13H11N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,14H",SXZIXHOMFPUIRK-UHFFFAOYSA-N,C13H11N,181.23,181.0891494,3,23.9,165,0,1,1,2,14,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1H-Pyrrole-2-acetic acid, 5-(4-chlorobenzoyl)-1,4-dimethyl-, sodium salt, dihydrate",64092-48-4,16220118,"sodium 2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetate",CC1=C(N(C(=C1)CC(=O)[O-])C)C(=O)C2=CC=C(C=C2)Cl.[Na+],"InChI=1S/C15H14ClNO3.Na/c1-9-7-12(8-13(18)19)17(2)14(9)15(20)10-3-5-11(16)6-4-10;/h3-7H,8H2,1-2H3,(H,18,19);/q;+1/p-1",SEEXPXUCHVGZGU-UHFFFAOYSA-M,C15H13ClNNaO3,313.71,313.0481653,,62.1,385,0,0,3,4,21,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TRIPHENYLSULFONIUM HEXAFLUOROARSENATE(1-),057900-42-2,93839,hexafluoroarsenic(1-);triphenylsulfanium,C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.F[As-](F)(F)(F)(F)F,"InChI=1S/C18H15S.AsF6/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4,5,6)7/h1-15H;/q+1;-1",SYENPFUVTQGHIM-UHFFFAOYSA-N,C18H15AsF6S,452.3,452.00146,,1,264,0,0,7,3,26,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
(4-TERT-BUTYLPHENYL)DIPHENYLSULFONIUM TRIFLATE,145612-66-4,2783197,(4-tert-butylphenyl)-diphenylsulfanium;trifluoromethanesulfonate,CC(C)(C)C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-],"InChI=1S/C22H23S.CHF3O3S/c1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;2-1(3,4)8(5,6)7/h4-17H,1-3H3;(H,5,6,7)/q+1;/p-1",RLAWXWSZTKMPQQ-UHFFFAOYSA-M,C23H23F3O3S2,468.6,468.1040714,,66.6,462,0,0,6,4,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-Indandione, 2-ethyl-2-methyl-",70292-52-3,599681,"2-ethyl-2-methylindene-1,3-dione",CCC1(C(=O)C2=CC=CC=C2C1=O)C,"InChI=1S/C12H12O2/c1-3-12(2)10(13)8-6-4-5-7-9(8)11(12)14/h4-7H,3H2,1-2H3",GMABAYKYOVAXTD-UHFFFAOYSA-N,C12H12O2,188.22,188.0837296,2.7,34.1,256,0,0,2,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"3-PYRIDAZINAMINE, 6-CHLORO-",005469-69-2,21643,6-chloropyridazin-3-amine,C1=CC(=NN=C1N)Cl,"InChI=1S/C4H4ClN3/c5-3-1-2-4(6)8-7-3/h1-2H,(H2,6,8)",DTXVKPOKPFWSFF-UHFFFAOYSA-N,C4H4ClN3,129.55,129.0093748,0.3,51.8,77,0,1,3,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LC 3300,053092-64-1,104409,"1,4-bis(2-methylphenyl)benzene",CC1=CC=CC=C1C2=CC=C(C=C2)C3=CC=CC=C3C,"InChI=1S/C20H18/c1-15-7-3-5-9-19(15)17-11-13-18(14-12-17)20-10-6-4-8-16(20)2/h3-14H,1-2H3",MSMADJZSMBWBTF-UHFFFAOYSA-N,C20H18,258.4,258.1408506,6.6,0,256,0,0,0,2,20,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
PHTHALIDE,000087-41-2,6885,3H-2-benzofuran-1-one,C1C2=CC=CC=C2C(=O)O1,"InChI=1S/C8H6O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2",WNZQDUSMALZDQF-UHFFFAOYSA-N,C8H6O2,134.13,134.0367794,0.8,26.3,153,0,0,2,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,8-NAPHTHALIC ANHYDRIDE",000081-84-5,6693,"3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione",C1=CC2=C3C(=C1)C(=O)OC(=O)C3=CC=C2,InChI=1S/C12H6O3/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(14)15-11/h1-6H,GRSMWKLPSNHDHA-UHFFFAOYSA-N,C12H6O3,198.17,198.031694,2.3,43.4,282,0,0,3,0,15,272 °C,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
NORFENTANYL,001609-66-1,259381,N-phenyl-N-piperidin-4-ylpropanamide,CCC(=O)N(C1CCNCC1)C2=CC=CC=C2,"InChI=1S/C14H20N2O/c1-2-14(17)16(12-6-4-3-5-7-12)13-8-10-15-11-9-13/h3-7,13,15H,2,8-11H2,1H3",PMCBDBWCQQBSRJ-UHFFFAOYSA-N,C14H20N2O,232.32,232.1575633,1.6,32.3,243,0,1,2,3,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
KETAMINE,006740-88-1,3821,2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one,CNC1(CCCCC1=O)C2=CC=CC=C2Cl,"InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3",YQEZLKZALYSWHR-UHFFFAOYSA-N,C13H16ClNO,237.72,237.0920418,2.2,29.1,269,0,1,2,2,16,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclohexanone, 2-(methylamino)-2-phenyl-",4631-27-0,18705340,2-(methylamino)-2-phenylcyclohexan-1-one;hydrochloride,CNC1(CCCCC1=O)C2=CC=CC=C2.Cl,"InChI=1S/C13H17NO.ClH/c1-14-13(10-6-5-9-12(13)15)11-7-3-2-4-8-11;/h2-4,7-8,14H,5-6,9-10H2,1H3;1H",KJMDOBYGKOIRQI-UHFFFAOYSA-N,C13H18ClNO,239.74,239.1076919,,29.1,233,0,2,2,2,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BUTYL BENZYL PHTHALATE,000085-68-7,2347,"2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate",CCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2,"InChI=1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3",IRIAEXORFWYRCZ-UHFFFAOYSA-N,C19H20O4,312.4,312.1361591,4.9,52.6,374,0,0,4,9,23,"390 °F (NTP, 1992)","698 °F at 760 mmHg (NTP, 1992)",1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
FLUORANTHENE-D10,093951-69-0,185309,"1,2,3,4,5,6,7,8,9,10-decadeuteriofluoranthene",[2H]C1=C(C(=C2C(=C1[2H])C3=C(C(=C(C4=C3C2=C(C(=C4[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H],"InChI=1S/C16H10/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-10H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D",GVEPBJHOBDJJJI-LHNTUAQVSA-N,C16H10,212.31,212.1410178,5.2,0,243,0,0,0,0,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
3-NITROFLUORANTHENE,000892-21-7,13462,3-nitrofluoranthene,C1=CC=C2C(=C1)C3=C4C2=CC=CC4=C(C=C3)[N+](=O)[O-],InChI=1S/C16H9NO2/c18-17(19)15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9H,PIHGQKMEAMSUNA-UHFFFAOYSA-N,C16H9NO2,247.25,247.0633285,4.7,45.8,377,0,0,2,0,19,,,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
Quinidine sulfate (2:1) (salt),50-54-4,441326,"bis((S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol);sulfuric acid",COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.OS(=O)(=O)O,"InChI=1S/2C20H24N2O2.H2O4S/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4)/t2*13-,14-,19+,20-;/m00./s1",RONWGALEIBILOG-VCSAERELSA-N,C40H50N4O8S,746.9,746.3349357,,174,538,0,4,12,8,53,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Quinine, sulfate",000804-63-7,16051948,"bis((R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol);sulfuric acid",COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.OS(=O)(=O)O,"InChI=1S/2C20H24N2O2.H2O4S/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4)/t2*13-,14-,19-,20+;/m00./s1",RONWGALEIBILOG-VMJVVOMYSA-N,C40H50N4O8S,746.9,746.3349357,,174,538,0,4,12,8,53,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-OXAZOLIDINONE,000497-25-6,73949,"1,3-oxazolidin-2-one",C1COC(=O)N1,"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)",IZXIZTKNFFYFOF-UHFFFAOYSA-N,C3H5NO2,87.08,87.0320284,-0.3,38.3,71,0,1,2,0,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"SODIUM 1,2,3-TRIAZOLE-5-THIOLATE",059032-27-8,23685427,sodium 2H-triazole-4-thiolate,C1=NNN=C1[S-].[Na+],"InChI=1S/C2H3N3S.Na/c6-2-1-3-5-4-2;/h1H,(H2,3,4,5,6);/q;+1/p-1",HHGMADGROXARPN-UHFFFAOYSA-M,C2H2N3NaS,123.11,122.9867125,,42.6,52,0,1,3,0,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-CARBOXY-1,2,3-TRIAZOLE",016681-70-2,140120,2H-triazole-4-carboxylic acid,C1=NNN=C1C(=O)O,"InChI=1S/C3H3N3O2/c7-3(8)2-1-4-6-5-2/h1H,(H,7,8)(H,4,5,6)",GTODOEDLCNTSLG-UHFFFAOYSA-N,C3H3N3O2,113.08,113.0225263,-0.5,78.9,105,0,2,4,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Piperidineacetic acid, alpha-phenyl-, methyl ester, hydrochloride, (S-(R*,R*))-",29419-95-2,45259401,methyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride,COC(=O)[C@H]([C@@H]1CCCCN1)C2=CC=CC=C2.Cl,"InChI=1S/C14H19NO2.ClH/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12;/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3;1H/t12-,13-;/m0./s1",JUMYIBMBTDDLNG-QNTKWALQSA-N,C14H20ClNO2,269.77,269.1182566,,38.3,249,0,2,3,4,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H-PYRAN-2-ONE, 4,6-DIMETHYL-",000675-09-2,12662,"4,6-dimethylpyran-2-one",CC1=CC(=O)OC(=C1)C,"InChI=1S/C7H8O2/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3",IXYLIUKQQQXXON-UHFFFAOYSA-N,C7H8O2,124.14,124.0524295,1.1,26.3,199,0,0,2,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Benzimidazole, 2-(((3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl)methyl)s",103577-45-3,3883,"2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole",CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F,"InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)",MJIHNNLFOKEZEW-UHFFFAOYSA-N,C16H14F3N3O2S,369.4,369.0758824,2.8,87.1,480,0,1,8,5,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Benzimidazole, 2-(((4-(3-methoxypropoxy)-3-methyl-2-pyridinyl)methyl)sulfinyl)-",117976-89-3,5029,2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole,CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCCCOC,"InChI=1S/C18H21N3O3S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)",YREYEVIYCVEVJK-UHFFFAOYSA-N,C18H21N3O3S,359.4,359.1303627,1.9,96.3,440,0,1,6,8,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CLARITHROMYCIN,081103-11-9,84029,"(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione",CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O,"InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1",AGOYDEPGAOXOCK-KCBOHYOISA-N,C38H69NO13,748,747.4768913,3.2,183,1190,0,4,14,8,52,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"COBALTATE(3-), BIS[2-HYDROXY-5-NITRO-3-[[2-OXO-1-[(PHENYLAMINO)CARBONYL]PROPYL",085959-73-5,146679501,trisodium;bis(3-[(1-anilino-3-oxido-1-oxobut-2-en-2-yl)diazenyl]-5-nitro-2-oxidobenzenesulfonate);cobalt(3+),CC(=C(C(=O)NC1=CC=CC=C1)N=NC2=C(C(=CC(=C2)[N+](=O)[O-])S(=O)(=O)[O-])[O-])[O-].CC(=C(C(=O)NC1=CC=CC=C1)N=NC2=C(C(=CC(=C2)[N+](=O)[O-])S(=O)(=O)[O-])[O-])[O-].[Na+].[Na+].[Na+].[Co+3],"InChI=1S/2C16H14N4O8S.Co.3Na/c2*1-9(21)14(16(23)17-10-5-3-2-4-6-10)19-18-12-7-11(20(24)25)8-13(15(12)22)29(26,27)28;;;;/h2*2-8,21-22H,1H3,(H,17,23)(H,26,27,28);;;;/q;;+3;3*+1/p-6",REVAWSMWYQYHAR-UHFFFAOYSA-H,C32H22CoN8Na3O16S2,966.6,965.96202,,423,766,0,2,20,8,62,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"COBALTATE(1-), BIS[2-[(2-HYDROXY-5-NITROPHENYL)AZO]-3-OXO-N-PHENYLBUTANAMIDATO",071566-26-2,136064471,sodium;bis(2-[[(Z)-1-anilino-3-oxido-1-oxobut-2-en-2-yl]diazenyl]-4-nitrophenolate);cobalt(3+),C/C(=C(/N=NC1=C(C=CC(=C1)[N+](=O)[O-])[O-])\C(=O)NC2=CC=CC=C2)/[O-].C/C(=C(/N=NC1=C(C=CC(=C1)[N+](=O)[O-])[O-])\C(=O)NC2=CC=CC=C2)/[O-].[Na+].[Co+3],"InChI=1S/2C16H14N4O5.Co.Na/c2*1-10(21)15(16(23)17-11-5-3-2-4-6-11)19-18-13-9-12(20(24)25)7-8-14(13)22;;/h2*2-9,21-22H,1H3,(H,17,23);;/q;;+3;+1/p-4/b2*15-10-,19-18?;;",AQRNVEOQPRUHAH-TUVBUYJCSA-J,C32H24CoN8NaO10,762.5,762.084502,,292,551,0,2,14,8,52,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"COBALTATE(1-), BIS[2-[[5-(AMINOSULFONYL)-2-HYDROXYPHENYL]AZO]-3-OXO-N-PHENYLBU",072496-88-9,155885936,sodium;bis(2-[(1-anilino-3-oxido-1-oxobut-2-en-2-yl)diazenyl]-4-sulfamoylphenolate);cobalt(3+),CC(=C(C(=O)NC1=CC=CC=C1)N=NC2=C(C=CC(=C2)S(=O)(=O)N)[O-])[O-].CC(=C(C(=O)NC1=CC=CC=C1)N=NC2=C(C=CC(=C2)S(=O)(=O)N)[O-])[O-].[Na+].[Co+3],"InChI=1S/2C16H16N4O5S.Co.Na/c2*1-10(21)15(16(23)18-11-5-3-2-4-6-11)20-19-13-9-12(26(17,24)25)7-8-14(13)22;;/h2*2-9,21-22H,1H3,(H,18,23)(H2,17,24,25);;/q;;+3;+1/p-4",MLATWULHRUACSW-UHFFFAOYSA-J,C32H28CoN8NaO10S2,830.7,830.059944,,337,665,0,4,16,10,54,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"C.I. ACID BLUE 9, DIAMMONIUM SALT",002650-18-2,17559,"diazanium;2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate",CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5S(=O)(=O)[O-].[NH4+].[NH4+],"InChI=1S/C37H36N2O9S3.2H3N/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);2*1H3",HMEKVHWROSNWPD-UHFFFAOYSA-N,C37H42N4O9S3,783,782.2113925,,205,1510,0,2,10,9,53,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Propanamide, 2-(2,4-dichloro-3-methylphenoxy)-N-phenyl-, (RS)-",,93482,"2-(2,4-dichloro-3-methylphenoxy)-N-phenylpropanamide",CC1=C(C=CC(=C1Cl)OC(C)C(=O)NC2=CC=CC=C2)Cl,"InChI=1S/C16H15Cl2NO2/c1-10-13(17)8-9-14(15(10)18)21-11(2)16(20)19-12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,19,20)",BDQWWOHKFDSADC-UHFFFAOYSA-N,C16H15Cl2NO2,324.2,323.0479841,4.8,38.3,347,0,1,2,4,21,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetanilide, 2'-chloro-2-(dichlorophenoxy)-5'-trifluoromethyl-",6195-37-5,97192,"N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dichlorophenoxy)acetamide",C1=CC(=C(C=C1C(F)(F)F)NC(=O)COC2=C(C=C(C=C2)Cl)Cl)Cl,"InChI=1S/C15H9Cl3F3NO2/c16-9-2-4-13(11(18)6-9)24-7-14(23)22-12-5-8(15(19,20)21)1-3-10(12)17/h1-6H,7H2,(H,22,23)",AMADTSPKSQEMIH-UHFFFAOYSA-N,C15H9Cl3F3NO2,398.6,396.965096,5.6,38.3,439,0,1,5,4,24,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"2H-PYRAN-2-ONE, TETRAHYDRO-6-(3-PENTENYL)-",032764-98-0,6438319,6-[(E)-pent-3-enyl]oxan-2-one,C/C=C/CCC1CCCC(=O)O1,"InChI=1S/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h2-3,9H,4-8H2,1H3/b3-2+",NBCMACYORPIYNY-NSCUHMNNSA-N,C10H16O2,168.23,168.1150297,2.3,26.3,173,0,0,2,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenesulfonamide, 4-(5-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)-",170569-86-5,9865808,4-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide,C1=CC(=CC=C1C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)Cl,"InChI=1S/C16H11ClF3N3O2S/c17-11-3-1-10(2-4-11)14-9-15(16(18,19)20)22-23(14)12-5-7-13(8-6-12)26(21,24)25/h1-9H,(H2,21,24,25)",NSQNZEUFHPTJME-UHFFFAOYSA-N,C16H11ClF3N3O2S,401.8,401.02126,3.7,86.4,583,0,1,7,3,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ketone, 10-(3-(4-(2-hydroxyethyl)piperidino)propyl)phenothiazin-2-yl methyl",3819-00-9,19675,1-[10-[3-[4-(2-hydroxyethyl)piperidin-1-yl]propyl]phenothiazin-2-yl]ethanone,CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCC(CC4)CCO,"InChI=1S/C24H30N2O2S/c1-18(28)20-7-8-24-22(17-20)26(21-5-2-3-6-23(21)29-24)13-4-12-25-14-9-19(10-15-25)11-16-27/h2-3,5-8,17,19,27H,4,9-16H2,1H3",BTFMCMVEUCGQDX-UHFFFAOYSA-N,C24H30N2O2S,410.6,410.2027994,4,69.1,537,0,1,5,7,29,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
Chromone,491-38-3,10286,chromen-4-one,C1=CC=C2C(=C1)C(=O)C=CO2,InChI=1S/C9H6O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,OTAFHZMPRISVEM-UHFFFAOYSA-N,C9H6O2,146.14,146.0367794,1.4,26.3,196,0,0,2,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-phenyl-",50369-39-6,3039311,"4-methyl-3-phenyl-1H-1,2,4-triazol-5-one",CN1C(=NNC1=O)C2=CC=CC=C2,"InChI=1S/C9H9N3O/c1-12-8(10-11-9(12)13)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,13)",OKFGHQWHWBSJHA-UHFFFAOYSA-N,C9H9N3O,175.19,175.0745619,1,44.7,243,0,1,2,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"L-Proline, N-((1S)-1-carboxy-3-phenylpropyl)-L-alanyl-",76420-72-9,5462501,(2S)-1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]pyrrolidine-2-carboxylic acid,C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H](CCC2=CC=CC=C2)C(=O)O,"InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1",LZFZMUMEGBBDTC-QEJZJMRPSA-N,C18H24N2O5,348.4,348.1685219,-0.7,107,490,0,3,6,8,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
GAMMA-TERPINENE,000099-85-4,7461,"1-methyl-4-propan-2-ylcyclohexa-1,4-diene",CC1=CCC(=CC1)C(C)C,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3",YKFLAYDHMOASIY-UHFFFAOYSA-N,C10H16,136.23,136.1252005,2.8,0,170,0,0,0,1,10,,181.00 to 183.00 °C. @ 760.00 mm Hg,0,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
"1,4-CYCLOHEXADIENE",000628-41-1,12343,"cyclohexa-1,4-diene",C1C=CCC=C1,"InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-2,5-6H,3-4H2",UVJHQYIOXKWHFD-UHFFFAOYSA-N,C6H8,80.13,80.06260026,2.3,0,58,0,0,0,0,6,,,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0
OXAZOLE,000288-42-6,9255,"1,3-oxazole",C1=COC=N1,InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H,ZCQWOFVYLHDMMC-UHFFFAOYSA-N,C3H3NO,69.06,69.02146372,0.1,26,30,0,0,2,0,5,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"Azetidine, 1-nitroso-",15216-10-1,27135,1-nitrosoazetidine,C1CN(C1)N=O,InChI=1S/C3H6N2O/c6-4-5-2-1-3-5/h1-3H2,SNKTZBNDUVWOAZ-UHFFFAOYSA-N,C3H6N2O,86.09,86.04801282,-0.5,32.7,59,0,0,3,0,6,,,0,0,0,1,0,1,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1H-1,4-Diazepine, hexahydro-1,4-dinitroso-",55557-00-1,41473,"1,4-dinitroso-1,4-diazepane",C1CN(CCN(C1)N=O)N=O,InChI=1S/C5H10N4O2/c10-6-8-2-1-3-9(7-11)5-4-8/h1-5H2,FUCMFBXWLUGVIZ-UHFFFAOYSA-N,C5H10N4O2,158.16,158.0803756,-0.5,65.3,135,0,0,6,0,11,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TERT-BUTYL 1,4-DIAZEPANE-1-CARBOXYLATE",112275-50-0,2756058,"tert-butyl 1,4-diazepane-1-carboxylate",CC(C)(C)OC(=O)N1CCCNCC1,"InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-7-4-5-11-6-8-12/h11H,4-8H2,1-3H3",WDPWEXWMQDRXAL-UHFFFAOYSA-N,C10H20N2O2,200.28,200.1524779,0.8,41.6,199,0,1,3,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BIS(1,5-CYCLOOCTADIENE)RHODIUM(I) TETRAFLUOROBORATE",207124-65-0,16212128,"bis((1Z,5Z)-cycloocta-1,5-diene);rhodium;tetrafluoroborate;hydrate",[B-](F)(F)(F)F.C1/C=C\CC/C=C\C1.C1/C=C\CC/C=C\C1.O.[Rh],"InChI=1S/2C8H12.BF4.H2O.Rh/c2*1-2-4-6-8-7-5-3-1;2-1(3,4)5;;/h2*1-2,7-8H,3-6H2;;1H2;/q;;-1;;/b2*2-1-,8-7-;;;",RVVSQTPAHKVLPL-DIURZKMRSA-N,C16H26BF4ORh-,424.1,424.10678,,1,91,-1,1,6,0,23,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0
"1,3,5-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE, 1,3-DICHLORO-, POTASSIUM SALT",002244-21-5,23665761,"potassium 1,5-dichloro-4,6-dioxo-1,3,5-triazin-2-olate",C1(=NC(=O)N(C(=O)N1Cl)Cl)[O-].[K+],"InChI=1S/C3HCl2N3O3.K/c4-7-1(9)6-2(10)8(5)3(7)11;/h(H,6,9,10);/q;+1/p-1",IFIDXBCRSWOUSB-UHFFFAOYSA-M,C3Cl2KN3O3,236.05,234.8953777,,76,257,0,0,3,0,12,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1
DICHLOROISOCYANURIC ACID SODIUM SALT DIHYDRATE,051580-86-0,23667638,"sodium;1,5-dichloro-4,6-dioxo-1,3,5-triazin-2-olate;dihydrate",C1(=NC(=O)N(C(=O)N1Cl)Cl)[O-].O.O.[Na+],"InChI=1S/C3HCl2N3O3.Na.2H2O/c4-7-1(9)6-2(10)8(5)3(7)11;;;/h(H,6,9,10);;2*1H2/q;+1;;/p-1",PYILKOIEIHHYGD-UHFFFAOYSA-M,C3H4Cl2N3NaO5,255.97,254.9425699,,78,257,0,2,5,0,14,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1
RHODAMINE 640 PERCHLORATE,072102-91-1,153490,"2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoic acid perchlorate",C1CC2=CC3=C(C4=C2N(C1)CCC4)OC5=C6CCC[N+]7=C6C(=CC5=C3C8=CC=CC=C8C(=O)O)CCC7.[O-]Cl(=O)(=O)=O,"InChI=1S/C32H30N2O3.ClHO4/c35-32(36)22-10-2-1-9-21(22)27-25-17-19-7-3-13-33-15-5-11-23(28(19)33)30(25)37-31-24-12-6-16-34-14-4-8-20(29(24)34)18-26(27)31;2-1(3,4)5/h1-2,9-10,17-18H,3-8,11-16H2;(H,2,3,4,5)",DJWWHVKRLDNDJK-UHFFFAOYSA-N,C32H31ClN2O7,591,590.181979,,127,1180,0,1,8,2,42,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
RHODAMINE 101,064339-18-0,14844402,"2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoic acid chloride",C1CC2=CC3=C(C4=C2N(C1)CCC4)OC5=C6CCC[N+]7=C6C(=CC5=C3C8=CC=CC=C8C(=O)O)CCC7.[Cl-],"InChI=1S/C32H30N2O3.ClH/c35-32(36)22-10-2-1-9-21(22)27-25-17-19-7-3-13-33-15-5-11-23(28(19)33)30(25)37-31-24-12-6-16-34-14-4-8-20(29(24)34)18-26(27)31;/h1-2,9-10,17-18H,3-8,11-16H2;1H",ANORACDFPHMJSX-UHFFFAOYSA-N,C32H31ClN2O3,527,526.2023205,,52.8,1080,0,1,5,2,38,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PARAQUAT,004685-14-7,15939,1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium,C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C,"InChI=1S/C12H14N2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h3-10H,1-2H3/q+2",INFDPOAKFNIJBF-UHFFFAOYSA-N,C12H14N2+2,186.25,186.1156985,1.7,7.8,145,2,0,0,1,14,,Boiling point (760 mm Hg): Decomposes at 175-180 °C (347-356 °F),1,1,1,1,0,0,1,1,0,0,0,1,0,0,0,0,1,0,1,1
(ETHOXYCARBONYLMETHYLENE)TRIPHENYLPHOSPHORANE,001099-45-2,70670,ethyl 2-(triphenyl-lambda5-phosphanylidene)acetate,CCOC(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C22H21O2P/c1-2-24-22(23)18-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,2H2,1H3",IIHPVYJPDKJYOU-UHFFFAOYSA-N,C22H21O2P,348.4,348.1279169,4.3,26.3,414,0,0,2,6,25,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,1,1
"IMIDAZO[4,5-D]IMIDAZOLE-2,5(1H,3H)-DIONE, TETRAHYDRO-1,3,4,6-TETRAKIS(HYDROXYM",005395-50-6,79372,"1,3,4,6-tetrakis(hydroxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione",C(N1C2C(N(C1=O)CO)N(C(=O)N2CO)CO)O,"InChI=1S/C8H14N4O6/c13-1-9-5-6(11(3-15)7(9)17)12(4-16)8(18)10(5)2-14/h5-6,13-16H,1-4H2",UUGLSEIATNSHRI-UHFFFAOYSA-N,C8H14N4O6,262.22,262.0913342,-2.1,128,303,0,4,6,4,18,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Imidazo(4,5-d)imidazole-2,5(1H,3H)-dione, tetrahydro-1,3,4,6-tetramethyl-",10095-06-4,122282,"1,3,4,6-tetramethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione",CN1C2C(N(C1=O)C)N(C(=O)N2C)C,"InChI=1S/C8H14N4O2/c1-9-5-6(11(3)7(9)13)12(4)8(14)10(5)2/h5-6H,1-4H3",XIUUSFJTJXFNGH-UHFFFAOYSA-N,C8H14N4O2,198.22,198.1116757,-0.9,47.1,252,0,0,2,0,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acridine, 1,2,3,4-tetrahydro-9-amino-, monohydrochloride",1684-40-8,2723754,"1,2,3,4-tetrahydroacridin-9-amine;hydrochloride",C1CCC2=NC3=CC=CC=C3C(=C2C1)N.Cl,"InChI=1S/C13H14N2.ClH/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;/h1,3,5,7H,2,4,6,8H2,(H2,14,15);1H",ZUFVXZVXEJHHBN-UHFFFAOYSA-N,C13H15ClN2,234.72,234.0923762,,38.9,229,0,2,2,0,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Stannane, fluorotriphenyl-",379-52-2,9786,fluoro(triphenyl)stannane,C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)F,InChI=1S/3C6H5.FH.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H;/q;;;;+1/p-1,JBYRKMGOSFMHRL-UHFFFAOYSA-M,C18H15FSn,369,370.017981,,0,240,0,0,1,3,20,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propionic acid, 2-(4-(2-((4-chlorobenzoyl)amino)ethyl)phenoxy)-2-methyl-",041859-67-0,39042,2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-2-methylpropanoic acid,CC(C)(C(=O)O)OC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)Cl,"InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)",IIBYAHWJQTYFKB-UHFFFAOYSA-N,C19H20ClNO4,361.8,361.1080858,3.8,75.6,452,0,2,4,7,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
N-BENZOYL-DL-PHENYLALANINE,002901-76-0,273362,2-benzamido-3-phenylpropanoic acid,C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=CC=CC=C2,"InChI=1S/C16H15NO3/c18-15(13-9-5-2-6-10-13)17-14(16(19)20)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,17,18)(H,19,20)",NPKISZUVEBESJI-UHFFFAOYSA-N,C16H15NO3,269.29,269.1051933,2.8,66.4,331,0,2,3,5,20,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CLONIDINE HYDROCHLORIDE,004205-91-8,20179,"N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride",C1CN=C(N1)NC2=C(C=CC=C2Cl)Cl.Cl,"InChI=1S/C9H9Cl2N3.ClH/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9;/h1-3H,4-5H2,(H2,12,13,14);1H",ZNIFSRGNXRYGHF-UHFFFAOYSA-N,C9H10Cl3N3,266.6,264.99403,,36.4,222,0,3,1,2,15,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,4-Benzenediamine, 2,6-dichloro-N(sup 1)-(4,5-dihydro-1H-imidazol-2-yl)-, monohydrochloride",73218-79-8,51763,"2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine;hydrochloride",C1CN=C(N1)NC2=C(C=C(C=C2Cl)N)Cl.Cl,"InChI=1S/C9H10Cl2N4.ClH/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9;/h3-4H,1-2,12H2,(H2,13,14,15);1H",OTQYGBJVDRBCHC-UHFFFAOYSA-N,C9H11Cl3N4,281.6,280.004929,,62.4,246,0,4,2,2,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1
"CYCLOHEXANAMINE, N-CYCLOHEXYL-, NITRITE",003129-91-7,241753,N-cyclohexylcyclohexanamine;nitrous acid,C1CCC(CC1)NC2CCCCC2.N(=O)O,"InChI=1S/C12H23N.HNO2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2-1-3/h11-13H,1-10H2;(H,2,3)",ZFAKTZXUUNBLEB-UHFFFAOYSA-N,C12H24N2O2,228.33,228.183778,,61.7,126,0,2,4,2,16,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Cyclophosphamide,000050-18-0,2907,"N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine",C1CNP(=O)(OC1)N(CCCl)CCCl,"InChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)",CMSMOCZEIVJLDB-UHFFFAOYSA-N,C7H15Cl2N2O2P,261.08,260.0248201,0.6,41.6,212,0,1,4,5,14,113 °C c.c.,336 °C,0,0,0,1,0,1,0,1,0,0,1,0,0,1,0,0,0,0,1,0
"2H-1,3,2-Oxazaphosphorine, 2-(bis(2-chloroethyl)amino)-3-(2-chloroethyl)tetrahydro-, 2-oxide",22089-22-1,65702,"N,N,3-tris(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine",C1CN(P(=O)(OC1)N(CCCl)CCCl)CCCl,"InChI=1S/C9H18Cl3N2O2P/c10-2-6-13-5-1-9-16-17(13,15)14(7-3-11)8-4-12/h1-9H2",UMKFEPPTGMDVMI-UHFFFAOYSA-N,C9H18Cl3N2O2P,323.6,322.017148,1.8,32.8,265,0,0,4,7,17,,,0,0,0,1,0,1,1,0,0,0,1,0,0,1,0,0,0,0,1,0
PHENALLYMAL,000115-43-5,8274,"5-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione",C=CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2,"InChI=1S/C13H12N2O3/c1-2-8-13(9-6-4-3-5-7-9)10(16)14-12(18)15-11(13)17/h2-7H,1,8H2,(H2,14,15,16,17,18)",WOIGZSBYKGQJGL-UHFFFAOYSA-N,C13H12N2O3,244.25,244.0847923,1.7,75.3,377,0,2,3,3,18,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
PHENOBARBITAL,000050-06-6,4763,"5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione",CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2,"InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)",DDBREPKUVSBGFI-UHFFFAOYSA-N,C12H12N2O3,232.23,232.0847923,1.5,75.3,339,0,2,3,2,17,"345 °F (NTP, 1992)",,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0,1,0,0
"1,3-PROPANEDIONE, 2-BROMO-1,3-DIPHENYL-",000728-84-7,12890,"2-bromo-1,3-diphenylpropane-1,3-dione",C1=CC=C(C=C1)C(=O)C(C(=O)C2=CC=CC=C2)Br,"InChI=1S/C15H11BrO2/c16-13(14(17)11-7-3-1-4-8-11)15(18)12-9-5-2-6-10-12/h1-10,13H",BYAJHZYXPBREEK-UHFFFAOYSA-N,C15H11BrO2,303.15,301.99424,4,34.1,272,0,0,2,4,18,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BENZYLIMIDAZOLE,004238-71-5,77918,1-benzylimidazole,C1=CC=C(C=C1)CN2C=CN=C2,"InChI=1S/C10H10N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h1-7,9H,8H2",KKKDZZRICRFGSD-UHFFFAOYSA-N,C10H10N2,158.2,158.0843983,1.6,17.8,130,0,0,1,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridine, 1,2,3,6-tetrahydro-1-methyl-4-phenyl-",028289-54-5,1388,"1-methyl-4-phenyl-3,6-dihydro-2H-pyridine",CN1CCC(=CC1)C2=CC=CC=C2,"InChI=1S/C12H15N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-7H,8-10H2,1H3",PLRACCBDVIHHLZ-UHFFFAOYSA-N,C12H15N,173.25,173.1204495,2.7,3.2,189,0,0,1,1,13,,85 to 90 °C @ 0.8 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"15,19-Epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone,5,6,8,11,12, 13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-3-(2-(4-hydroxy-3- methoxycyclohexyl)-1-methylethenyl)-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propenyl)-, monohydrate, (3S-(3R*(E(1S*,3S*,4S*)), 4S*,5R*,8S*,9E,12R*,14R*,15S*,16R*,18S*,19S*,26aR*))-",109581-93-3,5282315,"(1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-1,14-dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone;hydrate",C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC.O,"InChI=1S/C44H69NO12.H2O/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7;/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3;1H2/b25-19+,27-21+;/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+;/m0./s1",NWJQLQGQZSIBAF-MLAUYUEBSA-N,C44H71NO13,822,821.4925413,,179,1480,0,4,13,7,58,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-alpha-Androst-1-en-3-one, 17-beta-hydroxy-1-methyl-, acetate",000434-05-9,252372,"[(5S,8R,9S,10S,13S,14S,17S)-1,10,13-trimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate",CC1=CC(=O)C[C@H]2[C@]1([C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@@H]4OC(=O)C)C)C,"InChI=1S/C22H32O3/c1-13-11-16(24)12-15-5-6-17-18-7-8-20(25-14(2)23)21(18,3)10-9-19(17)22(13,15)4/h11,15,17-20H,5-10,12H2,1-4H3/t15-,17-,18-,19-,20-,21-,22-/m0/s1",PGAUJQOPTMSERF-QWQRBHLCSA-N,C22H32O3,344.5,344.2351449,4.4,43.4,635,0,0,3,2,25,,,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Androst-1-en-3-one, 1-methyl-17-((1-oxoheptyl)oxy)-, (5-alpha,17-beta)-",303-42-4,248271,"[(5S,8R,9S,10S,13S,14S,17S)-1,10,13-trimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate",CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C(=CC(=O)C4)C)C)C,"InChI=1S/C27H42O3/c1-5-6-7-8-9-25(29)30-24-13-12-22-21-11-10-19-17-20(28)16-18(2)27(19,4)23(21)14-15-26(22,24)3/h16,19,21-24H,5-15,17H2,1-4H3/t19-,21-,22-,23-,24-,26-,27-/m0/s1",TXUICONDJPYNPY-FRXWOFFRSA-N,C27H42O3,414.6,414.3133952,6.9,43.4,709,0,0,3,7,30,,,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
TETRAHYDROCANNABINOL,001972-08-3,16078,"(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol",CCCCCC1=CC(=C2[C@@H]3C=C(CC[C@H]3C(OC2=C1)(C)C)C)O,"InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1",CYQFCXCEBYINGO-IAGOWNOFSA-N,C21H30O2,314.5,314.2245802,7,29.5,439,0,1,2,4,23,,"392 °F at 0.02 mmHg (NTP, 1992)",0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"6H-Dibenzo(b,d)pyran-1-ol, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-propyl-, (6aR,10aR)-",31262-37-0,93147,"(6aR,10aR)-6,6,9-trimethyl-3-propyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol",CCCC1=CC(=C2[C@@H]3C=C(CC[C@H]3C(OC2=C1)(C)C)C)O,"InChI=1S/C19H26O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h9-11,14-15,20H,5-8H2,1-4H3/t14-,15-/m1/s1",ZROLHBHDLIHEMS-HUUCEWRRSA-N,C19H26O2,286.4,286.1932801,5.9,29.5,412,0,1,2,2,21,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
DIBENZOTHIOPHENE,000132-65-0,3023,dibenzothiophene,C1=CC=C2C(=C1)C3=CC=CC=C3S2,InChI=1S/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H,IYYZUPMFVPLQIF-UHFFFAOYSA-N,C12H8S,184.26,184.0346714,4.4,28.2,170,0,0,1,0,13,,332.5 °C,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
NADIC METHYL ANHYDRIDE,025134-21-8,32802,"1-methyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione",CC12CC(C=C1)C3C2C(=O)OC3=O,"InChI=1S/C10H10O3/c1-10-3-2-5(4-10)6-7(10)9(12)13-8(6)11/h2-3,5-7H,4H2,1H3",KNRCVAANTQNTPT-UHFFFAOYSA-N,C10H10O3,178.18,178.0629942,1.2,43.4,344,0,0,3,0,13,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
CARBIC ANHYDRIDE,000129-64-6,2723766,"(1S,2R,6S,7R)-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione",C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2C(=O)OC3=O,"InChI=1S/C9H8O3/c10-8-6-4-1-2-5(3-4)7(6)9(11)12-8/h1-2,4-7H,3H2/t4-,5+,6-,7+",KNDQHSIWLOJIGP-UMRXKNAASA-N,C9H8O3,164.16,164.0473441,0.7,43.4,277,0,0,3,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0
"N-(2,6-dioxo-3-piperidyl)Phthalimide",000050-35-1,5426,"2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione",C1CC(=O)NC(=O)C1N2C(=O)C3=CC=CC=C3C2=O,"InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)",UEJJHQNACJXSKW-UHFFFAOYSA-N,C13H10N2O4,258.23,258.0640568,0.3,83.6,449,0,1,4,1,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
HYDROCHLOROTHIAZIDE,000058-93-5,3639,"6-chloro-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide",C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl,"InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)",JZUFKLXOESDKRF-UHFFFAOYSA-N,C7H8ClN3O4S2,297.7,296.9644758,-0.1,135,494,0,3,7,1,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,1,0
"1,2-Dihtiolan-4-amine, N,N-dimethyl-, oxalate (1:1)",1631-52-3,13320572,"N,N-dimethyldithiolan-4-amine;oxalic acid",CN(C)C1CSSC1.C(=O)(C(=O)O)O,"InChI=1S/C5H11NS2.C2H2O4/c1-6(2)5-3-7-8-4-5;3-1(4)2(5)6/h5H,3-4H2,1-2H3;(H,3,4)(H,5,6)",CTHWFFMDTBCNNE-UHFFFAOYSA-N,C7H13NO4S2,239.3,239.0286002,,128,140,0,2,7,2,14,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-((4-hydroxyphenyl)methyl)-, hydrochloride, (+-)-",11041-94-4,165901,"1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrochloride",C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC=C(C=C3)O.Cl,"InChI=1S/C16H17NO3.ClH/c18-12-3-1-10(2-4-12)7-14-13-9-16(20)15(19)8-11(13)5-6-17-14;/h1-4,8-9,14,17-20H,5-7H2;1H",SWWQQSDRUYSMAR-UHFFFAOYSA-N,C16H18ClNO3,307.77,307.0975211,,72.7,317,0,5,4,2,21,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Cinchoninic acid, 6-bromo-2-phenyl-",33007-99-7,208775,6-bromo-2-phenylquinoline-4-carboxylic acid,C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O,"InChI=1S/C16H10BrNO2/c17-11-6-7-14-12(8-11)13(16(19)20)9-15(18-14)10-4-2-1-3-5-10/h1-9H,(H,19,20)",PPBAFFAAGXPVNW-UHFFFAOYSA-N,C16H10BrNO2,328.16,326.98949,4.1,50.2,356,0,1,3,2,20,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Quinoline, 2-phenyl-",612-96-4,71545,2-phenylquinoline,C1=CC=C(C=C1)C2=NC3=CC=CC=C3C=C2,InChI=1S/C15H11N/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-11H,FSEXLNMNADBYJU-UHFFFAOYSA-N,C15H11N,205.25,205.0891494,3.9,12.9,219,0,0,1,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
XANTHENE,000092-83-1,7107,9H-xanthene,C1C2=CC=CC=C2OC3=CC=CC=C31,"InChI=1S/C13H10O/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8H,9H2",GJCOSYZMQJWQCA-UHFFFAOYSA-N,C13H10O,182.22,182.0731649,3.5,9.2,181,0,0,1,0,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
XANTHENE-9-CARBOXYLIC ACID,000082-07-5,65736,9H-xanthene-9-carboxylic acid,C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)O,"InChI=1S/C14H10O3/c15-14(16)13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)13/h1-8,13H,(H,15,16)",VSBFNCXKYIEYIS-UHFFFAOYSA-N,C14H10O3,226.23,226.0629942,2.2,46.5,280,0,1,3,1,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,6-DIMETHYL-1,4-DIOXANE-2,5-DIONE",000095-96-5,7272,"3,6-dimethyl-1,4-dioxane-2,5-dione",CC1C(=O)OC(C(=O)O1)C,"InChI=1S/C6H8O4/c1-3-5(7)10-4(2)6(8)9-3/h3-4H,1-2H3",JJTUDXZGHPGLLC-UHFFFAOYSA-N,C6H8O4,144.12,144.0422587,0.6,52.6,155,0,0,4,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
8-ANILINO-1-NAPHTHALENESULFONIC ACID AMMONIUM SALT,028836-03-5,120066,azanium 8-anilinonaphthalene-1-sulfonate,C1=CC=C(C=C1)NC2=CC=CC3=C2C(=CC=C3)S(=O)(=O)[O-].[NH4+],"InChI=1S/C16H13NO3S.H3N/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13;/h1-11,17H,(H,18,19,20);1H3",IPBNQYLKHUNLQE-UHFFFAOYSA-N,C16H16N2O3S,316.4,316.0881636,,78.6,426,0,2,4,2,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BETA-CHLORDANE,005103-74-2,12303036,"(1R,2R,3S,4S,6R,7S)-1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene",C1[C@@H]2[C@H]([C@@H]([C@H]1Cl)Cl)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl,"InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2-,3+,4-,5-,8+,9-/m1/s1",BIWJNBZANLAXMG-OESJLNMISA-N,C10H6Cl8,409.8,409.791872,4.9,0,459,0,0,0,0,18,,,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ALPHA-CHLORDANE,005103-71-9,12303035,"(1R,2R,3S,4R,6R,7S)-1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene",C1[C@@H]2[C@H]([C@@H]([C@@H]1Cl)Cl)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl,"InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2-,3-,4-,5-,8+,9-/m1/s1",BIWJNBZANLAXMG-IDTQJTQFSA-N,C10H6Cl8,409.8,409.791872,4.9,0,459,0,0,0,0,18,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
2-HYDROXYBENZIMIDAZOLE,000615-16-7,11985,"1,3-dihydrobenzimidazol-2-one",C1=CC=C2C(=C1)NC(=O)N2,"InChI=1S/C7H6N2O/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)",SILNNFMWIMZVEQ-UHFFFAOYSA-N,C7H6N2O,134.14,134.0480128,1.1,41.1,142,0,2,1,0,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H-BENZIMIDAZOL-2-ONE, 1,3-DIHYDRO-5-NITRO-",000093-84-5,3725611,"5-nitro-1,3-dihydrobenzimidazol-2-one",C1=CC2=C(C=C1[N+](=O)[O-])NC(=O)N2,"InChI=1S/C7H5N3O3/c11-7-8-5-2-1-4(10(12)13)3-6(5)9-7/h1-3H,(H2,8,9,11)",DLJZIPVEVJOKHB-UHFFFAOYSA-N,C7H5N3O3,179.13,179.033091,0.4,87,250,0,2,3,0,13,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H-BENZIMIDAZOL-2-ONE, 5-AMINO-1,3-DIHYDRO-",000095-23-8,66765,"5-amino-1,3-dihydrobenzimidazol-2-one",C1=CC2=C(C=C1N)NC(=O)N2,"InChI=1S/C7H7N3O/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,8H2,(H2,9,10,11)",BCXSVFBDMPSKPT-UHFFFAOYSA-N,C7H7N3O,149.15,149.0589119,0.4,67.2,183,0,3,2,0,11,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"2H-Benzimidazol-2-one, 1-ethyl-1,3-dihydro-",10045-45-1,82320,3-ethyl-1H-benzimidazol-2-one,CCN1C2=CC=CC=C2NC1=O,"InChI=1S/C9H10N2O/c1-2-11-8-6-4-3-5-7(8)10-9(11)12/h3-6H,2H2,1H3,(H,10,12)",CXUCKELNYMZTRT-UHFFFAOYSA-N,C9H10N2O,162.19,162.0793129,1.1,32.3,193,0,1,1,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1H,5H-BENZO[IJ]QUINOLIZINE, 2,3,6,7-TETRAHYDRO-",000479-59-4,68069,"1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene",C1CC2=C3C(=CC=C2)CCCN3C1,"InChI=1S/C12H15N/c1-4-10-6-2-8-13-9-3-7-11(5-1)12(10)13/h1,4-5H,2-3,6-9H2",DZFWNZJKBJOGFQ-UHFFFAOYSA-N,C12H15N,173.25,173.1204495,2.8,3.2,172,0,0,1,0,13,,,0,0,0,0,0,0,1,1,0,0,1,0,0,0,0,0,1,0,0,1
"o-Cresol, 4-((7-chloro-4-quinolyl)amino)-alpha-(diethylamino)-, dihydrochloride",69-44-3,64646,4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;dihydrate;dihydrochloride,CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O.O.O.Cl.Cl,"InChI=1S/C20H22ClN3O.2ClH.2H2O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19;;;;/h5-12,25H,3-4,13H2,1-2H3,(H,22,23);2*1H;2*1H2",YVNAYSHNIILOJS-UHFFFAOYSA-N,C20H28Cl3N3O3,464.8,463.119625,,50.4,406,0,6,6,6,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
NEUTRAL RED,000553-24-2,11105,"8-N,8-N,3-trimethylphenazine-2,8-diamine;hydrochloride",CC1=CC2=NC3=C(C=C(C=C3)N(C)C)N=C2C=C1N.Cl,"InChI=1S/C15H16N4.ClH/c1-9-6-13-15(8-11(9)16)18-14-7-10(19(2)3)4-5-12(14)17-13;/h4-8H,16H2,1-3H3;1H",PGSADBUBUOPOJS-UHFFFAOYSA-N,C15H17ClN4,288.77,288.1141743,,55,319,0,2,4,1,20,,,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,1
1-Phenazinol,528-71-2,135412648,phenazin-1-ol,C1=CC=C2C(=C1)N=C3C=CC=C(C3=N2)O,"InChI=1S/C12H8N2O/c15-11-7-3-6-10-12(11)14-9-5-2-1-4-8(9)13-10/h1-7,15H",SVRNCBGWUMMBQB-UHFFFAOYSA-N,C12H8N2O,196.2,196.0636629,2.3,46,234,0,1,3,0,15,,,0,0,0,1,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,1
TETRAKIS(4-ETHYNYLPHENYL)METHANE,177991-01-4,12157742,1-ethynyl-4-[tris(4-ethynylphenyl)methyl]benzene,C#CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C#C)(C3=CC=C(C=C3)C#C)C4=CC=C(C=C4)C#C,"InChI=1S/C33H20/c1-5-25-9-17-29(18-10-25)33(30-19-11-26(6-2)12-20-30,31-21-13-27(7-3)14-22-31)32-23-15-28(8-4)16-24-32/h1-4,9-24H",JGUCYLISNORQFW-UHFFFAOYSA-N,C33H20,416.5,416.1565006,8,0,684,0,0,0,8,33,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
9-HYDROXY-4-METHOXACRIDINE,035308-00-0,51991,4-methoxy-10H-acridin-9-one,COC1=CC=CC2=C1NC3=CC=CC=C3C2=O,"InChI=1S/C14H11NO2/c1-17-12-8-4-6-10-13(12)15-11-7-3-2-5-9(11)14(10)16/h2-8H,1H3,(H,15,16)",ZYEVJRPVZZGDRM-UHFFFAOYSA-N,C14H11NO2,225.24,225.0789786,2.9,38.3,305,0,1,3,1,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
10-METHYL-9(10H)-ACRIDONE,000719-54-0,69751,10-methylacridin-9-one,CN1C2=CC=CC=C2C(=O)C3=CC=CC=C31,"InChI=1S/C14H11NO/c1-15-12-8-4-2-6-10(12)14(16)11-7-3-5-9-13(11)15/h2-9H,1H3",XUVKSPPGPPFPQN-UHFFFAOYSA-N,C14H11NO,209.24,209.084064,3.1,20.3,262,0,0,2,0,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"10(9H)-Acridineacetic acid, 9-oxo-",38609-97-1,38072,2-(9-oxoacridin-10-yl)acetic acid,C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3N2CC(=O)O,"InChI=1S/C15H11NO3/c17-14(18)9-16-12-7-3-1-5-10(12)15(19)11-6-2-4-8-13(11)16/h1-8H,9H2,(H,17,18)",UOMKBIIXHQIERR-UHFFFAOYSA-N,C15H11NO3,253.25,253.0738932,2.7,57.6,356,0,1,4,2,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Clindamycin, hydrochloride",21462-39-5,16051951,"(2S,4R)-N-[(1S,2S)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide;hydrochloride",CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@H](C)Cl.Cl,"InChI=1S/C18H33ClN2O5S.ClH/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25);1H/t9-,10+,11-,12+,13-,14+,15+,16+,18+;/m0./s1",AUODDLQVRAJAJM-XJQDNNTCSA-N,C18H34Cl2N2O5S,461.4,460.1565488,,128,502,0,5,7,7,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"2H-1,4-Benzoxazine-2-carboxylic acid, 3,4-dihydro-, ethyl ester",22244-22-0,31090,"ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate",CCOC(=O)C1CNC2=CC=CC=C2O1,"InChI=1S/C11H13NO3/c1-2-14-11(13)10-7-12-8-5-3-4-6-9(8)15-10/h3-6,10,12H,2,7H2,1H3",FGYXHLIMQKWPIL-UHFFFAOYSA-N,C11H13NO3,207.23,207.0895433,2,47.6,232,0,1,4,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,5,9-CYCLODODECATRIENE, 1,5,10-TRIMETHYL-",021115-77-5,6436539,"(1Z,5Z,9Z)-1,5,10-trimethylcyclododeca-1,5,9-triene",C/C/1=C/CC/C=C(\CC/C(=C\CC1)/C)/C,"InChI=1S/C15H24/c1-13-7-4-5-8-14(2)11-12-15(3)10-6-9-13/h7-8,10H,4-6,9,11-12H2,1-3H3/b13-7-,14-8-,15-10-",DRDYICOUDVAVGE-MSKXPCFJSA-N,C15H24,204.35,204.1878008,3.9,0,276,0,0,0,0,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"Benzoxazolium, 3-pentyl-2-((3-pentyl-2(3H)-benzoxazolylidene)-1-propenyl)-, iodide",53213-81-3,5745347,"(2Z)-3-pentyl-2-[(E)-3-(3-pentyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole iodide",CCCCCN\1C2=CC=CC=C2O/C1=C\C=C\C3=[N+](C4=CC=CC=C4O3)CCCCC.[I-],"InChI=1S/C27H33N2O2.HI/c1-3-5-11-20-28-22-14-7-9-16-24(22)30-26(28)18-13-19-27-29(21-12-6-4-2)23-15-8-10-17-25(23)31-27;/h7-10,13-19H,3-6,11-12,20-21H2,1-2H3;1H/q+1;/p-1",CDLMLYASVIQVPH-UHFFFAOYSA-M,C27H33IN2O2,544.5,544.15868,,29.5,554,0,0,4,10,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
L-HYDROOROTIC ACID,005988-19-2,439216,"(4S)-2,6-dioxo-1,3-diazinane-4-carboxylic acid",C1[C@H](NC(=O)NC1=O)C(=O)O,"InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)/t2-/m0/s1",UFIVEPVSAGBUSI-REOHCLBHSA-N,C5H6N2O4,158.11,158.0327567,-1.5,95.5,225,0,3,4,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-6-methoxy-, monohydrochloride",35764-54-6,215482,"6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride",COC1=CC2=C(C=C1)NC3=C2CCNC3.Cl,"InChI=1S/C12H14N2O.ClH/c1-15-8-2-3-11-10(6-8)9-4-5-13-7-12(9)14-11;/h2-3,6,13-14H,4-5,7H2,1H3;1H",KRMJEIDSHZEQHJ-UHFFFAOYSA-N,C12H15ClN2O,238.71,238.0872908,,37.1,234,0,3,2,1,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-PHENYLETHYL PHENYL ETHER,040515-89-7,142465,2-phenoxyethylbenzene,C1=CC=C(C=C1)CCOC2=CC=CC=C2,"InChI=1S/C14H14O/c1-3-7-13(8-4-1)11-12-15-14-9-5-2-6-10-14/h1-10H,11-12H2",JKSGBCQEHZWHHL-UHFFFAOYSA-N,C14H14O,198.26,198.1044651,3.8,9.2,155,0,0,1,4,15,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"1H-ISOINDOLE-1,3(2H)-DIONE, 2-PHENYL-",000520-03-6,68215,"2-phenylisoindole-1,3-dione",C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O,InChI=1S/C14H9NO2/c16-13-11-8-4-5-9-12(11)14(17)15(13)10-6-2-1-3-7-10/h1-9H,MFUPLJQNEXUUDW-UHFFFAOYSA-N,C14H9NO2,223.23,223.0633285,2.4,37.4,309,0,0,2,1,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHOROUS ACID, DECYL DIPHENYL ESTER",003287-06-7,62494,decyl diphenyl phosphite,CCCCCCCCCCOP(OC1=CC=CC=C1)OC2=CC=CC=C2,"InChI=1S/C22H31O3P/c1-2-3-4-5-6-7-8-15-20-23-26(24-21-16-11-9-12-17-21)25-22-18-13-10-14-19-22/h9-14,16-19H,2-8,15,20H2,1H3",GLOQRSIADGSLRX-UHFFFAOYSA-N,C22H31O3P,374.5,374.2010818,8.2,27.7,295,0,0,3,14,26,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenesulfonic acid, 4-chloro-, 4-chlorophenyl ester",80-33-1,6635,(4-chlorophenyl) 4-chlorobenzenesulfonate,C1=CC(=CC=C1OS(=O)(=O)C2=CC=C(C=C2)Cl)Cl,"InChI=1S/C12H8Cl2O3S/c13-9-1-5-11(6-2-9)17-18(15,16)12-7-3-10(14)4-8-12/h1-8H",RZXLPPRPEOUENN-UHFFFAOYSA-N,C12H8Cl2O3S,303.2,301.9571207,4.3,51.8,350,0,0,3,3,18,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"3(2H)-Pyridazinone, 5-amino-4-chloro-2-phenyl-",001698-60-8,15546,5-amino-4-chloro-2-phenylpyridazin-3-one,C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)N)Cl,"InChI=1S/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2",WYKYKTKDBLFHCY-UHFFFAOYSA-N,C10H8ClN3O,221.64,221.0355896,0.8,58.7,332,0,1,3,1,15,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
CHLORIMURON ETHYL [ETHYL-2-[[[(4-CHLORO-6-METHOXYPRIMIDIN-2-YL)-CARBONYL]-AMIN,090982-32-4,56160,ethyl 2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoate,CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)Cl)OC,"InChI=1S/C15H15ClN4O6S/c1-3-26-13(21)9-6-4-5-7-10(9)27(23,24)20-15(22)19-14-17-11(16)8-12(18-14)25-2/h4-8H,3H2,1-2H3,(H2,17,18,19,20,22)",NSWAMPCUPHPTTC-UHFFFAOYSA-N,C15H15ClN4O6S,414.8,414.0400831,2.7,145,628,0,2,8,7,27,,,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"1,4-Benzodioxan-2-methylamine, N-methyl-",2242-31-1,16714,"1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylmethanamine",CNCC1COC2=CC=CC=C2O1,"InChI=1S/C10H13NO2/c1-11-6-8-7-12-9-4-2-3-5-10(9)13-8/h2-5,8,11H,6-7H2,1H3",RPZMFKMYOVWSQN-UHFFFAOYSA-N,C10H13NO2,179.22,179.0946287,1.3,30.5,163,0,1,3,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 4-chloro-, 2-benzoyl-2-(1,1-dimethylethyl)hydrazide",112226-61-6,114994,N'-benzoyl-N'-tert-butyl-4-chlorobenzohydrazide,CC(C)(C)N(C(=O)C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)Cl,"InChI=1S/C18H19ClN2O2/c1-18(2,3)21(17(23)14-7-5-4-6-8-14)20-16(22)13-9-11-15(19)12-10-13/h4-12H,1-3H3,(H,20,22)",CNKHSLKYRMDDNQ-UHFFFAOYSA-N,C18H19ClN2O2,330.8,330.1135055,3,49.4,419,0,1,2,3,23,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
Cyclo((2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-isoleucyl-(2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-isoleucyl-(2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-isoleucyl),2503-13-1,57339252,"(3S,6R,9S,12R,15S,18R)-3,9,15-tris[(2S)-butan-2-yl]-4,10,16-trimethyl-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone",CC[C@H](C)[C@H]1C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N1C)C(C)C)[C@@H](C)CC)C)C(C)C)[C@@H](C)CC)C)C(C)C,"InChI=1S/C36H63N3O9/c1-16-22(10)25-34(43)46-29(20(6)7)32(41)38(14)27(24(12)18-3)36(45)48-30(21(8)9)33(42)39(15)26(23(11)17-2)35(44)47-28(19(4)5)31(40)37(25)13/h19-30H,16-18H2,1-15H3/t22-,23-,24-,25-,26-,27-,28+,29+,30+/m0/s1",TWHBYJSVDCWICV-BHZTXFQCSA-N,C36H63N3O9,681.9,681.4564306,7.6,140,1000,0,0,9,9,48,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Pyrrolidinol, 3-phenyl-, hydrochloride",1488-02-4,200280,3-phenylpyrrolidin-3-ol;hydrochloride,C1CNCC1(C2=CC=CC=C2)O.Cl,"InChI=1S/C10H13NO.ClH/c12-10(6-7-11-8-10)9-4-2-1-3-5-9;/h1-5,11-12H,6-8H2;1H",TXWWLCQBZZBGQW-UHFFFAOYSA-N,C10H14ClNO,199.68,199.0763918,,32.3,154,0,3,2,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(1)Benzothieno(2,3-d)pyrimidine-2-carboxylic acid, 1,4,5,6,7,8-hexahydro-4-oxo-, ethyl ester",40106-36-3,329038,"ethyl 4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-2-carboxylate",CCOC(=O)C1=NC2=C(C3=C(S2)CCCC3)C(=O)N1,"InChI=1S/C13H14N2O3S/c1-2-18-13(17)10-14-11(16)9-7-5-3-4-6-8(7)19-12(9)15-10/h2-6H2,1H3,(H,14,15,16)",YDXBADCWZQEAFA-UHFFFAOYSA-N,C13H14N2O3S,278.33,278.0725135,2.6,96,438,0,1,5,3,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Imidazole, 4-((2,6-dimethylphenyl)methyl)-, monohydrochloride",78892-45-2,3061231,"5-[(2,6-dimethylphenyl)methyl]-1H-imidazole;hydrochloride",CC1=C(C(=CC=C1)C)CC2=CN=CN2.Cl,"InChI=1S/C12H14N2.ClH/c1-9-4-3-5-10(2)12(9)6-11-7-13-8-14-11;/h3-5,7-8H,6H2,1-2H3,(H,13,14);1H",HRPJDEUIMHHMEL-UHFFFAOYSA-N,C12H15ClN2,222.71,222.0923762,,28.7,171,0,2,1,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Imidazole, 4-((1S)-1-(2,3-dimethylphenyl)ethyl)-, monohydrochloride",145108-58-3,6918081,"5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole;hydrochloride",CC1=C(C(=CC=C1)[C@H](C)C2=CN=CN2)C.Cl,"InChI=1S/C13H16N2.ClH/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13;/h4-8,11H,1-3H3,(H,14,15);1H/t11-;/m0./s1",VPNGEIHDPSLNMU-MERQFXBCSA-N,C13H17ClN2,236.74,236.1080262,,28.7,205,0,2,1,2,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYLENE BLUE TRIHYDRATE,122965-43-9,16211647,[7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;chloride;hydrate,CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.O.[Cl-],"InChI=1S/C16H18N3S.ClH.H2O/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;;/h5-10H,1-4H3;1H;1H2/q+1;;/p-1",WQVSELLRAGBDLX-UHFFFAOYSA-M,C16H20ClN3OS,337.9,337.1015611,,44.9,483,0,1,5,1,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
GIEMSA STAIN,051811-82-6,13735,(7-aminophenothiazin-3-ylidene)-dimethylazanium chloride,C[N+](=C1C=CC2=NC3=C(C=C(C=C3)N)SC2=C1)C.[Cl-],"InChI=1S/C14H13N3S.ClH/c1-17(2)10-4-6-12-14(8-10)18-13-7-9(15)3-5-11(13)16-12;/h3-8,15H,1-2H3;1H",NALREUIWICQLPS-UHFFFAOYSA-N,C14H14ClN3S,291.8,291.0596963,,66.7,483,0,1,4,0,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"THIIRANE, 2,3-DIMETHYL-, CIS-",005954-71-2,80053,"(2R,3S)-2,3-dimethylthiirane",C[C@@H]1[C@@H](S1)C,"InChI=1S/C4H8S/c1-3-4(2)5-3/h3-4H,1-2H3/t3-,4+",ZMJBHCIEMIVIFZ-ZXZARUISSA-N,C4H8S,88.17,88.03467143,1.5,25.3,36,0,0,1,0,5,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"BICYCLO(2.2.1)HEPTA-2,5-DIENE",000121-46-0,8473,"bicyclo[2.2.1]hepta-2,5-diene",C1C2C=CC1C=C2,"InChI=1S/C7H8/c1-2-7-4-3-6(1)5-7/h1-4,6-7H,5H2",SJYNFBVQFBRSIB-UHFFFAOYSA-N,C7H8,92.14,92.06260026,2.1,0,103,0,0,0,0,7,"-6 °F (NFPA, 2010)",,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"1,2,3,4,7,7-HEXACHLORONORBORNADIENE",003389-71-7,18820,"1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hepta-2,5-diene",C1=CC2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl,"InChI=1S/C7H2Cl6/c8-3-4(9)6(11)2-1-5(3,10)7(6,12)13/h1-2H",IHAXIFZOERJWDF-UHFFFAOYSA-N,C7H2Cl6,298.8,297.825816,3.8,0,313,0,0,0,0,13,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Thiazoline, 2-(allylthio)-",3571-74-2,77119,"2-prop-2-enylsulfanyl-4,5-dihydro-1,3-thiazole",C=CCSC1=NCCS1,"InChI=1S/C6H9NS2/c1-2-4-8-6-7-3-5-9-6/h2H,1,3-5H2",HOULSWDLZNLUIV-UHFFFAOYSA-N,C6H9NS2,159.3,159.0176416,1.9,63,131,0,0,3,3,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"MORPHOLINIUM, 4-ETHYL-4-METHYL-, BROMIDE",065756-41-4,103453,4-ethyl-4-methylmorpholin-4-ium bromide,CC[N+]1(CCOCC1)C.[Br-],"InChI=1S/C7H16NO.BrH/c1-3-8(2)4-6-9-7-5-8;/h3-7H2,1-2H3;1H/q+1;/p-1",ACQZVWGQFXXTIX-UHFFFAOYSA-M,C7H16BrNO,210.11,209.04153,,9.2,86,0,0,2,1,10,,,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
TETRAKIS(TRIPHENYLPHOSPHINE)NICKEL(0),015133-82-1,11979963,nickel;tetrakis(triphenylphosphane),C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ni],InChI=1S/4C18H15P.Ni/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h4*1-15H;,KFBKRCXOTTUAFS-UHFFFAOYSA-N,C72H60NiP4,1107.8,1106.299892,,0,202,0,0,0,12,77,,,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,1,0,0
TETRAKIS(TRIPHENYLPHOSPHINE)PALLADIUM(0),014221-01-3,11979704,palladium;tetrakis(triphenylphosphane),C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Pd],InChI=1S/4C18H15P.Pd/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h4*1-15H;,NFHFRUOZVGFOOS-UHFFFAOYSA-N,C72H60P4Pd,1155.6,1154.26803,,0,202,0,0,0,12,77,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
TETRAKIS(TRIPHENYLPHOSPHINE)PLATINUM,014221-02-4,11979705,platinum;tetrakis(triphenylphosphane),C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Pt],InChI=1S/4C18H15P.Pt/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h4*1-15H;,SYKXNRFLNZUGAJ-UHFFFAOYSA-N,C72H60P4Pt,1244.2,1243.329344,,0,202,0,0,0,12,77,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"5H-TETRAZOLE-5-THIONE, 1,2-DIHYDRO-1-(4-HYDROXYPHENYL)-",052431-78-4,3034725,1-(4-hydroxyphenyl)-2H-tetrazole-5-thione,C1=CC(=CC=C1N2C(=S)N=NN2)O,"InChI=1S/C7H6N4OS/c12-6-3-1-5(2-4-6)11-7(13)8-9-10-11/h1-4,12H,(H,8,10,13)",MOXZSKYLLSPATM-UHFFFAOYSA-N,C7H6N4OS,194.22,194.026232,2.5,92.3,237,0,2,4,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, N-(4-oxo-2,5-cyclohexadien-1-ylidene)-",50700-49-7,39763,"N-(4-oxocyclohexa-2,5-dien-1-ylidene)acetamide",CC(=O)N=C1C=CC(=O)C=C1,"InChI=1S/C8H7NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5H,1H3",URNSECGXFRDEDC-UHFFFAOYSA-N,C8H7NO2,149.15,149.0476785,0.1,46.5,266,0,0,2,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-DIBROMOQUINONE-4-CHLOROIMIDE",000537-45-1,10835,"2,6-dibromo-4-chloroiminocyclohexa-2,5-dien-1-one",C1=C(C(=O)C(=CC1=NCl)Br)Br,InChI=1S/C6H2Br2ClNO/c7-4-1-3(10-9)2-5(8)6(4)11/h1-2H,JYWKEVKEKOTYEX-UHFFFAOYSA-N,C6H2Br2ClNO,299.35,298.81712,3.1,29.4,269,0,0,2,0,11,,,0,1,0,0,0,0,0,1,0,0,0,0,1,0,0,1,1,0,0,1
Actinomycin-C-,008052-16-2,3084037,"2-amino-1-N-[(3S,6S,7R,10S,16S)-3-[(2S)-butan-2-yl]-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-10-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxo-9-N-[(3S,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide",CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)C3=C(C(=O)C(=C4C3=NC5=C(C=CC(=C5O4)C)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@@H](NC6=O)C(C)C)C)C)C(C)C)C)C)N)C)C(C)C)C)C,"InChI=1S/C63H88N12O16/c1-17-31(8)44-61(86)75-25-19-21-38(75)59(84)71(14)27-40(77)73(16)50(30(6)7)63(88)90-35(12)46(57(82)67-44)69-55(80)41-42(64)51(78)33(10)53-48(41)65-47-36(23-22-32(9)52(47)91-53)54(79)68-45-34(11)89-62(87)49(29(4)5)72(15)39(76)26-70(13)58(83)37-20-18-24-74(37)60(85)43(28(2)3)66-56(45)81/h22-23,28-31,34-35,37-38,43-46,49-50H,17-21,24-27,64H2,1-16H3,(H,66,81)(H,67,82)(H,68,79)(H,69,80)/t31-,34+,35+,37-,38-,43-,44-,45-,46-,49-,50-/m0/s1",QCXJFISCRQIYID-IAEPZHFASA-N,C63H88N12O16,1269.4,1268.644125,4.1,356,3050,0,5,18,9,91,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Vincaleukoblastine, 3-(aminocarbonyl)-O(sup 4)-deacetyl-3-de(methoxycarbonyl)-",059917-39-4,43116,"methyl (13S,15S,17S)-13-[(1R,9R,10S,11R,12R,19R)-10-carbamoyl-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate;sulfuric acid",CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)N)O)O)CC)OC)C(=O)OC)O.OS(=O)(=O)O,"InChI=1S/C43H55N5O7.H2O4S/c1-6-39(52)21-25-22-42(38(51)55-5,33-27(13-17-47(23-25)24-39)26-11-8-9-12-30(26)45-33)29-19-28-31(20-32(29)54-4)46(3)35-41(28)15-18-48-16-10-14-40(7-2,34(41)48)36(49)43(35,53)37(44)50;1-5(2,3)4/h8-12,14,19-20,25,34-36,45,49,52-53H,6-7,13,15-18,21-24H2,1-5H3,(H2,44,50);(H2,1,2,3,4)/t25-,34+,35-,36-,39+,40-,41-,42+,43+;/m1./s1",COFJBSXICYYSKG-FJFFLIEUSA-N,C43H57N5O11S,852,851.3775288,,248,1650,0,7,14,7,60,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0
"Yohimban-16-alpha-carboxylic acid, 17-alpha-hydroxy-, methyl ester",000146-48-5,8969,"methyl (1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate",COC(=O)[C@H]1[C@H](CC[C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O,"InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1",BLGXFZZNTVWLAY-SCYLSFHTSA-N,C21H26N2O3,354.4,354.1943427,2.9,65.6,555,0,2,4,2,26,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
AMBERLITE CG 400,037247-87-3,2866,"methyl 18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate",COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O,"InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3",BLGXFZZNTVWLAY-UHFFFAOYSA-N,C21H26N2O3,354.4,354.1943427,2.9,65.6,555,0,2,4,2,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-PYRAZOLIDINONE, 4-METHYL-1-PHENYL-",002654-57-1,98282,4-methyl-1-phenylpyrazolidin-3-one,CC1CN(NC1=O)C2=CC=CC=C2,"InChI=1S/C10H12N2O/c1-8-7-12(11-10(8)13)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,13)",ZZEYCGJAYIHIAZ-UHFFFAOYSA-N,C10H12N2O,176.21,176.094963,1.8,32.3,199,0,1,2,1,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
AFLATOXIN M1,006795-23-9,15558498,"(3R,7R)-3-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione",COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C(=C1)O[C@@H]5[C@]4(C=CO5)O,"InChI=1S/C17H12O7/c1-21-9-6-10-13(17(20)4-5-22-16(17)23-10)14-12(9)7-2-3-8(18)11(7)15(19)24-14/h4-6,16,20H,2-3H2,1H3/t16-,17-/m1/s1",MJBWDEQAUQTVKK-IAGOWNOFSA-N,C17H12O7,328.27,328.0583027,0.5,91.3,695,0,1,7,1,24,,,0,1,1,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-3-hydroxy-4-methoxy-, (3S-(3-alpha,6a-alpha,9a-alpha))-",52819-96-2,104757,"(3S,7R,14S)-14-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione",COC1=C2C3=C(C(=O)C[C@@H]3O)C(=O)OC2=C4[C@@H]5C=CO[C@@H]5OC4=C1,"InChI=1S/C17H12O7/c1-21-9-5-10-11(6-2-3-22-17(6)23-10)15-14(9)12-7(18)4-8(19)13(12)16(20)24-15/h2-3,5-7,17-18H,4H2,1H3/t6-,7-,17+/m0/s1",GYNOTJLCULOEIM-XKRJZGAWSA-N,C17H12O7,328.27,328.0583027,0.5,91.3,680,0,1,7,1,24,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Avermectin A1a, 4''-(acetylamino)-5-O-demethyl-4''-deoxy-, (4''R)-",133305-88-1,6444397,"N-[(2S,3R,4S,6S)-6-[(2S,3S,4S,6R)-6-[(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-21',24'-dihydroxy-3,11',13',22'-tetramethyl-2'-oxospiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-12'-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]acetamide",CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@@H]([C@@H](O7)C)NC(=O)C)OC)OC)\C)C,"InChI=1S/C50H75NO14/c1-12-26(2)45-29(5)18-19-49(65-45)24-36-21-35(64-49)17-16-28(4)44(27(3)14-13-15-34-25-58-47-43(53)30(6)20-37(48(54)61-36)50(34,47)55)62-41-23-39(57-11)46(32(8)60-41)63-40-22-38(56-10)42(31(7)59-40)51-33(9)52/h13-16,18-20,26-27,29,31-32,35-47,53,55H,12,17,21-25H2,1-11H3,(H,51,52)/b14-13+,28-16+,34-15+/t26-,27-,29-,31-,32-,35+,36-,37-,38-,39-,40-,41-,42+,43+,44-,45+,46-,47+,49+,50+/m0/s1",ZKWQQXZUCOBISE-CRTGXIDZSA-N,C50H75NO14,914.1,913.5187561,3.8,179,1850,0,3,14,9,65,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, (pentafluorophenyl)methyl ester, (1R-trans)-",75867-00-4,6455515,"cis-(2,3,4,5,6-pentafluorophenyl)methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate",CC1([C@@H]([C@H]1C(=O)OCC2=C(C(=C(C(=C2F)F)F)F)F)C=C(Cl)Cl)C,"InChI=1S/C15H11Cl2F5O2/c1-15(2)6(3-7(16)17)8(15)14(23)24-4-5-9(18)11(20)13(22)12(21)10(5)19/h3,6,8H,4H2,1-2H3/t6-,8+/m1/s1",YATDSXRLIUJOQN-SVRRBLITSA-N,C15H11Cl2F5O2,389.1,388.0056258,5.1,26.3,510,0,0,7,5,24,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DICHLOROTRIPHENYLANTIMONY,000594-31-0,11662,dichloro(triphenyl)-lambda5-stibane,C1=CC=C(C=C1)[Sb](C2=CC=CC=C2)(C3=CC=CC=C3)(Cl)Cl,InChI=1S/3C6H5.2ClH.Sb/c3*1-2-4-6-5-3-1;;;/h3*1-5H;2*1H;/q;;;;;+2/p-2,PDGPVQHGCLPCES-UHFFFAOYSA-L,C18H15Cl2Sb,424,421.95889,,0,285,0,0,0,3,21,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2(3H)-Thiophenone, dihydro-3-amino-, hydrochloride, (+-)-",6038-19-3,110753,3-aminothiolan-2-one;hydrochloride,C1CSC(=O)C1N.Cl,"InChI=1S/C4H7NOS.ClH/c5-3-1-2-7-4(3)6;/h3H,1-2,5H2;1H",ZSEGSUBKDDEALH-UHFFFAOYSA-N,C4H8ClNOS,153.63,153.0015127,,68.4,93,0,2,3,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-DIFLUORO-7,7,8,8-TETRACYANOQUINODIMETHANE",073318-02-2,5255840,"2-[4-(dicyanomethylidene)-2,5-difluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile",C1=C(C(=C(C#N)C#N)C=C(C1=C(C#N)C#N)F)F,InChI=1S/C12H2F2N4/c13-11-1-9(7(3-15)4-16)12(14)2-10(11)8(5-17)6-18/h1-2H,PFSDYUVXXQTNMX-UHFFFAOYSA-N,C12H2F2N4,240.17,240.0247524,0.6,95.2,639,0,0,6,0,18,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
PHENYLBUTAZONE,000050-33-9,4781,"4-butyl-1,2-diphenylpyrazolidine-3,5-dione",CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3",VYMDGNCVAMGZFE-UHFFFAOYSA-N,C19H20N2O2,308.4,308.1524779,3.2,40.6,389,0,0,2,5,23,,,0,1,1,1,0,1,0,1,0,0,0,0,0,1,1,0,1,1,0,1
"3,5-Pyrazolidinedione, 4-butyl-1-(p-hydroxyphenyl)-2-phenyl-",000129-20-4,4641,"4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione",CCCCC1C(=O)N(N(C1=O)C2=CC=C(C=C2)O)C3=CC=CC=C3,"InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3",HFHZKZSRXITVMK-UHFFFAOYSA-N,C19H20N2O3,324.4,324.1473925,2.7,60.9,454,0,1,3,5,24,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Succinic acid, monoester with 4-butyl-4-(hydroxymethyl)-1,2-diphenyl-3,5-pyraz",027470-51-5,5362,"4-[(4-butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methoxy]-4-oxobutanoic acid",CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)COC(=O)CCC(=O)O,"InChI=1S/C24H26N2O6/c1-2-3-16-24(17-32-21(29)15-14-20(27)28)22(30)25(18-10-6-4-7-11-18)26(23(24)31)19-12-8-5-9-13-19/h4-13H,2-3,14-17H2,1H3,(H,27,28)",ONWXNHPOAGOMTG-UHFFFAOYSA-N,C24H26N2O6,438.5,438.1790866,3.6,104,661,0,1,6,11,32,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BROMOTRIS(TRIPHENYLPHOSPHINE) COPPER(I),015709-74-7,11251615,bromocopper;tris(triphenylphosphane),C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cu]Br,InChI=1S/3C18H15P.BrH.Cu/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h3*1-15H;1H;/q;;;;+1/p-1,QXLPGKOIQZWUPL-UHFFFAOYSA-M,C54H45BrCuP3,930.3,928.12135,,0,204,0,0,0,9,59,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Ethylenediamine, N,N'-dibenzyl-, diacetate",122-75-8,31228,"acetic acid;N,N'-dibenzylethane-1,2-diamine",CC(=O)O.CC(=O)O.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2,"InChI=1S/C16H20N2.2C2H4O2/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16;2*1-2(3)4/h1-10,17-18H,11-14H2;2*1H3,(H,3,4)",MTRNNCLQPVCDLF-UHFFFAOYSA-N,C20H28N2O4,360.4,360.2049074,,98.7,202,0,4,6,7,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Thujanone, (1S,4S,5R)-(+)-",471-15-8,91456,"(1S,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one",C[C@H]1[C@H]2C[C@]2(CC1=O)C(C)C,"InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8+,10-/m0/s1",USMNOWBWPHYOEA-XKSSXDPKSA-N,C10H16O,152.23,152.1201151,2.3,17.1,207,0,0,1,1,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Benzimidazolemethanol, alpha-phenyl-",50-97-5,5792,1H-benzimidazol-2-yl(phenyl)methanol,C1=CC=C(C=C1)C(C2=NC3=CC=CC=C3N2)O,"InChI=1S/C14H12N2O/c17-13(10-6-2-1-3-7-10)14-15-11-8-4-5-9-12(11)16-14/h1-9,13,17H,(H,15,16)",JEAWPIKEEQZLJQ-UHFFFAOYSA-N,C14H12N2O,224.26,224.094963,2.4,48.9,253,0,2,2,2,17,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
4-(4-PYRIDYL)BENZOIC ACID,004385-76-6,1520811,4-pyridin-4-ylbenzoic acid,C1=CC(=CC=C1C2=CC=NC=C2)C(=O)O,"InChI=1S/C12H9NO2/c14-12(15)11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-8H,(H,14,15)",DZLGZIGLHCRIMF-UHFFFAOYSA-N,C12H9NO2,199.2,199.0633285,2,50.2,216,0,1,3,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Dipyrido(1,2-a:3',2'-d)imidazol-2-amine, 6-methyl-, hydrochloride, monohydrate",,24837711,"10-methyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-4-amine;hydrate;hydrochloride",CC1=CC=CN2C1=NC3=C2N=C(C=C3)N.O.Cl,"InChI=1S/C11H10N4.ClH.H2O/c1-7-3-2-6-15-10(7)13-8-4-5-9(12)14-11(8)15;;/h2-6H,1H3,(H2,12,14);1H;1H2",WSBNFZWVPJAQMQ-UHFFFAOYSA-N,C11H13ClN4O,252.7,252.0777887,,57.2,245,0,3,4,0,17,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)-, cyano(3-phenoxyphenyl)met",051630-58-1,3347,[cyano-(3-phenoxyphenyl)methyl] 2-(4-chlorophenyl)-3-methylbutanoate,CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3,"InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3",NYPJDWWKZLNGGM-UHFFFAOYSA-N,C25H22ClNO3,419.9,419.1288213,6.2,59.3,586,0,0,4,8,30,,Decomposes,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONAMIDE, 4-AMINO-N-(4-METHYL-2-PYRIMIDINYL)-, MONOSODIUMSALT",000127-58-2,15899899,sodium (4-aminophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide,CC1=NC(=NC=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)N.[Na+],"InChI=1S/C11H11N4O2S.Na/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10;/h2-7H,12H2,1H3;/q-1;+1",BSFJGCCAXDCMOX-UHFFFAOYSA-N,C11H11N4NaO2S,286.29,286.0500411,,95.3,365,0,1,6,3,19,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"METHYLIUM, TRIPHENYL-, PENTACHLOROSTANNATE(1-)",015414-98-9,16717610,diphenylmethylbenzene;pentachlorostannanuide,C1=CC=C(C=C1)[C+](C2=CC=CC=C2)C3=CC=CC=C3.Cl[Sn-](Cl)(Cl)(Cl)Cl,InChI=1S/C19H15.5ClH.Sn/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;;/h1-15H;5*1H;/q+1;;;;;;+4/p-5,LJHTYNWDYRJYIH-UHFFFAOYSA-I,C19H15Cl5Sn,539.3,539.86089,,0,233,0,0,1,3,25,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,3-QUINOXALINEDIONE, 1,4-DIHYDRO-",015804-19-0,27491,"1,4-dihydroquinoxaline-2,3-dione",C1=CC=C2C(=C1)NC(=O)C(=O)N2,"InChI=1S/C8H6N2O2/c11-7-8(12)10-6-4-2-1-3-5(6)9-7/h1-4H,(H,9,11)(H,10,12)",ABJFBJGGLJVMAQ-UHFFFAOYSA-N,C8H6N2O2,162.15,162.0429274,0.2,58.2,203,0,2,2,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Quinoxaline-6-amine, 2,3-dihydro-",6973-93-9,96030,"6-amino-1,4-dihydroquinoxaline-2,3-dione",C1=CC2=C(C=C1N)NC(=O)C(=O)N2,"InChI=1S/C8H7N3O2/c9-4-1-2-5-6(3-4)11-8(13)7(12)10-5/h1-3H,9H2,(H,10,12)(H,11,13)",DNCKPMPEGDANJK-UHFFFAOYSA-N,C8H7N3O2,177.16,177.0538265,-0.5,84.2,254,0,3,3,0,13,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Benzyl alcohol, p-hydroxy-alpha-(1-((1-methyl-2-phenoxyethyl)amino)ethyl)-, hy",000579-56-6,11368,4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol;hydrochloride,CC(COC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)O)O.Cl,"InChI=1S/C18H23NO3.ClH/c1-13(12-22-17-6-4-3-5-7-17)19-14(2)18(21)15-8-10-16(20)11-9-15;/h3-11,13-14,18-21H,12H2,1-2H3;1H",QVPSGVSNYPRFAS-UHFFFAOYSA-N,C18H24ClNO3,337.8,337.1444713,,61.7,299,0,4,4,7,23,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenesulfonamide, 5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-2-methoxy-,monohydrochloride, (R)-",106463-17-6,5362376,5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide;hydrochloride,CCOC1=CC=CC=C1OCCN[C@H](C)CC2=CC(=C(C=C2)OC)S(=O)(=O)N.Cl,"InChI=1S/C20H28N2O5S.ClH/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24;/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24);1H/t15-;/m1./s1",ZZIZZTHXZRDOFM-XFULWGLBSA-N,C20H29ClN2O5S,445,444.1485709,,108,539,0,3,7,11,29,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOXAZOLIUM, 5-CHLORO-2-METHYL-3-(3-SULFOPROPYL)-, INNER SALT",051981-33-0,104039,"3-(5-chloro-2-methyl-1,3-benzoxazol-3-ium-3-yl)propane-1-sulfonate",CC1=[N+](C2=C(O1)C=CC(=C2)Cl)CCCS(=O)(=O)[O-],"InChI=1S/C11H12ClNO4S/c1-8-13(5-2-6-18(14,15)16)10-7-9(12)3-4-11(10)17-8/h3-4,7H,2,5-6H2,1H3",FGLWJZIQGDRVHX-UHFFFAOYSA-N,C11H12ClNO4S,289.74,289.0175567,2,82.6,370,0,0,4,3,18,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"DIAZENE, BIS(4-ETHOXYPHENYL)-, 1-OXIDE",004792-83-0,78520,(4-ethoxyphenyl)-(4-ethoxyphenyl)imino-oxidoazanium,CCOC1=CC=C(C=C1)N=[N+](C2=CC=C(C=C2)OCC)[O-],"InChI=1S/C16H18N2O3/c1-3-20-15-9-5-13(6-10-15)17-18(19)14-7-11-16(12-8-14)21-4-2/h5-12H,3-4H2,1-2H3",QUICZVHSJNKDBL-UHFFFAOYSA-N,C16H18N2O3,286.33,286.1317424,3.8,59.6,319,0,0,4,6,21,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(-)-(18-CROWN-6)-2,3,11,12-TETRACARBOXYLIC ACID",073891-15-3,10181725,"(2S,3S,11S,12S)-1,4,7,10,13,16-hexaoxacyclooctadecane-2,3,11,12-tetracarboxylic acid",C1CO[C@@H]([C@H](OCCOCCO[C@@H]([C@H](OCCO1)C(=O)O)C(=O)O)C(=O)O)C(=O)O,"InChI=1S/C16H24O14/c17-13(18)9-10(14(19)20)29-7-3-26-4-8-30-12(16(23)24)11(15(21)22)28-6-2-25-1-5-27-9/h9-12H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/t9-,10-,11-,12-/m0/s1",FZERLKNAJSFDSQ-BJDJZHNGSA-N,C16H24O14,440.35,440.1166054,-2.4,205,480,0,4,14,4,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
OXYTOCIN,000050-56-6,439302,"(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide",CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N,"InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1",XNOPRXBHLZRZKH-DSZYJQQASA-N,C43H66N12O12S2,1007.2,1006.436458,-2.6,450,1870,0,12,15,17,69,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"6a-alpha-Aporphine, 1,2,9,10-tetramethoxy-",475-81-0,16754,"(6aS)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline",CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC,"InChI=1S/C21H25NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/t15-/m0/s1",RUZIUYOSRDWYQF-HNNXBMFYSA-N,C21H25NO4,355.4,355.1783583,3.4,40.2,489,0,0,5,4,26,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
COUMESTROL,000479-13-0,5281707,"3,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one",C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=C3C=CC(=C4)O,"InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H",ZZIALNLLNHEQPJ-UHFFFAOYSA-N,C15H8O5,268.22,268.0371734,2.8,79.9,411,0,2,5,0,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Noscapine,128-62-1,275196,"(3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one",CN1CCC2=CC3=C(C(=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3,"InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1",AKNNEGZIBPJZJG-MSOLQXFVSA-N,C22H23NO7,413.4,413.1474521,2.7,75.7,647,0,0,8,4,30,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Carbamic acid, methyl-, o-(1,3-dioxolan-2-yl)phenyl ester",6988-21-2,23421,"[2-(1,3-dioxolan-2-yl)phenyl] N-methylcarbamate",CNC(=O)OC1=CC=CC=C1C2OCCO2,"InChI=1S/C11H13NO4/c1-12-11(13)16-9-5-3-2-4-8(9)10-14-6-7-15-10/h2-5,10H,6-7H2,1H3,(H,12,13)",SDKQRNRRDYRQKY-UHFFFAOYSA-N,C11H13NO4,223.22,223.0844579,0.5,56.8,240,0,1,4,3,16,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, (1S,4aS,7aS)-",27741-01-1,443354,"(1S,4aS,7aS)-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",C1C=C([C@@H]2[C@H]1C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O)CO,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",ZJDOESGVOWAULF-OGJQONSISA-N,C16H22O10,374.34,374.1212969,-2.7,166,602,0,6,10,5,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4-Oxazolidinedione, 5,5-dimethyl-",000695-53-4,3081,"5,5-dimethyl-1,3-oxazolidine-2,4-dione",CC1(C(=O)NC(=O)O1)C,"InChI=1S/C5H7NO3/c1-5(2)3(7)6-4(8)9-5/h1-2H3,(H,6,7,8)",JYJFNDQBESEHJQ-UHFFFAOYSA-N,C5H7NO3,129.11,129.0425931,0.1,55.4,173,0,1,3,0,9,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-DIAZASPIRO[4.5]DECANE-2,4-DIONE",000702-62-5,12799,"1,3-diazaspiro[4.5]decane-2,4-dione",C1CCC2(CC1)C(=O)NC(=O)N2,"InChI=1S/C8H12N2O2/c11-6-8(10-7(12)9-6)4-2-1-3-5-8/h1-5H2,(H2,9,10,11,12)",NERNEXMEYQFFHU-UHFFFAOYSA-N,C8H12N2O2,168.19,168.0898776,0.6,58.2,231,0,2,2,0,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3(2H)-THIOPHENONE, DIHYDRO-2-METHYL-",013679-85-1,61664,2-methylthiolan-3-one,CC1C(=O)CCS1,"InChI=1S/C5H8OS/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3",YMZZPMVKABUEBL-UHFFFAOYSA-N,C5H8OS,116.18,116.0295861,0.8,42.4,90,0,0,2,0,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,4-TRIAZINE, 5,6-DIPHENYL-3-(2-PYRIDINYL)-",001046-56-6,70588,"5,6-diphenyl-3-pyridin-2-yl-1,2,4-triazine",C1=CC=C(C=C1)C2=C(N=NC(=N2)C3=CC=CC=N3)C4=CC=CC=C4,InChI=1S/C20H14N4/c1-3-9-15(10-4-1)18-19(16-11-5-2-6-12-16)23-24-20(22-18)17-13-7-8-14-21-17/h1-14H,OTMYLOBWDNFTLO-UHFFFAOYSA-N,C20H14N4,310.4,310.1218465,3.1,51.6,376,0,0,4,3,24,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,4-THIADIAZOLE-2(3H)-THIONE",018686-82-3,3034302,"3H-1,3,4-thiadiazole-2-thione",C1=NNC(=S)S1,"InChI=1S/C2H2N2S2/c5-2-4-3-1-6-2/h1H,(H,4,5)",JLAMDELLBBZOOX-UHFFFAOYSA-N,C2H2N2S2,118.19,117.9659404,0.9,81.8,97,0,1,3,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONIC ACID, 4-[(5-AMINO-3-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)AZO]-2,5-D",012239-15-5,25537,"4-[(5-amino-3-methyl-1-phenylpyrazol-4-yl)diazenyl]-2,5-dichlorobenzenesulfonic acid",CC1=NN(C(=C1N=NC2=CC(=C(C=C2Cl)S(=O)(=O)O)Cl)N)C3=CC=CC=C3,"InChI=1S/C16H13Cl2N5O3S/c1-9-15(16(19)23(22-9)10-5-3-2-4-6-10)21-20-13-7-12(18)14(8-11(13)17)27(24,25)26/h2-8H,19H2,1H3,(H,24,25,26)",QHVBDWZOQBMLLW-UHFFFAOYSA-N,C16H13Cl2N5O3S,426.3,425.0116159,3.7,131,640,0,2,7,4,27,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"4-Thiazoleacetic acid, 2-(p-chlorophenyl)-",017969-20-9,28858,"2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetic acid",C1=CC(=CC=C1C2=NC(=CS2)CC(=O)O)Cl,"InChI=1S/C11H8ClNO2S/c12-8-3-1-7(2-4-8)11-13-9(6-16-11)5-10(14)15/h1-4,6H,5H2,(H,14,15)",APBSKHYXXKHJFK-UHFFFAOYSA-N,C11H8ClNO2S,253.71,252.9964274,2.7,78.4,256,0,1,4,3,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-Thiazoleacetic acid, 2-(3-(trifluoromethyl)phenyl)-",,3031950,"2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetic acid",C1=CC(=CC(=C1)C(F)(F)F)C2=NC(=CS2)CC(=O)O,"InChI=1S/C12H8F3NO2S/c13-12(14,15)8-3-1-2-7(4-8)11-16-9(6-19-11)5-10(17)18/h1-4,6H,5H2,(H,17,18)",WYVJANJHKTZGQY-UHFFFAOYSA-N,C12H8F3NO2S,287.26,287.0227842,3,78.4,337,0,1,7,3,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"alpha-Ergocryptine, 2-bromo-, methanesulfonate",022260-51-1,31100,"(6aR,9R)-5-bromo-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methanesulfonic acid",CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O.CS(=O)(=O)O,"InChI=1S/C32H40BrN5O5.CH4O3S/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18;1-5(2,3)4/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39);1H3,(H,2,3,4)/t18-,23-,24+,25+,31-,32+;/m1./s1",NOJMTMIRQRDZMT-GSPXQYRGSA-N,C33H44BrN5O8S,750.7,749.2094,,181,1320,0,4,9,5,48,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"Ergotaman-3',6',18-trione, 2-bromo-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-,(5'-alpha)-",25614-03-3,31101,"(6aR,9R)-5-bromo-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide",CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O,"InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1",OZVBMTJYIDMWIL-AYFBDAFISA-N,C32H40BrN5O5,654.6,653.22128,3.8,118,1230,0,3,6,5,43,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"3H-INDOLE, 2,3,3,5-TETRAMETHYL-",025981-82-2,117693,"2,3,3,5-tetramethylindole",CC1=CC2=C(C=C1)N=C(C2(C)C)C,"InChI=1S/C12H15N/c1-8-5-6-11-10(7-8)12(3,4)9(2)13-11/h5-7H,1-4H3",RQVAPBRSUHSDGP-UHFFFAOYSA-N,C12H15N,173.25,173.1204495,2.6,12.4,240,0,0,1,0,13,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-THIAZOLEACETIC ACID, 2,3-DIHYDRO-2-THIOXO-, ETHYL ESTER",038449-49-9,2735011,"ethyl 2-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetate",CCOC(=O)CC1=CSC(=S)N1,"InChI=1S/C7H9NO2S2/c1-2-10-6(9)3-5-4-12-7(11)8-5/h4H,2-3H2,1H3,(H,8,11)",ZIXKPHHHPPZJFK-UHFFFAOYSA-N,C7H9NO2S2,203.3,203.0074709,1,95.7,238,0,1,4,4,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Thiazoleacetic acid, 2-mercapto-4-methyl-",34272-64-5,3035180,"2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetic acid",CC1=C(SC(=S)N1)CC(=O)O,"InChI=1S/C6H7NO2S2/c1-3-4(2-5(8)9)11-6(10)7-3/h2H2,1H3,(H,7,10)(H,8,9)",KYBOCQHDFLVQIB-UHFFFAOYSA-N,C6H7NO2S2,189.3,188.9918208,0.7,107,247,0,2,4,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BENZYLPIPERIDINE,002905-56-8,76190,1-benzylpiperidine,C1CCN(CC1)CC2=CC=CC=C2,"InChI=1S/C12H17N/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-11H2",NZVZVGPYTICZBZ-UHFFFAOYSA-N,C12H17N,175.27,175.1360995,2.6,3.2,132,0,0,1,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"11H-Indole-2-carboxylic acid, octahydro-1-(2-((1-ethoxycarbonyl)butyl)amino)-1",082834-16-0,107807,"(2S,3aS,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid",CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O,"InChI=1S/C19H32N2O5/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24/h12-16,20H,4-11H2,1-3H3,(H,23,24)/t12-,13-,14-,15-,16-/m0/s1",IPVQLZZIHOAWMC-QXKUPLGCSA-N,C19H32N2O5,368.5,368.2311221,0.9,95.9,524,0,2,6,9,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,1,1
"ETHANONE, 1-(HEXAHYDRODIMETHYL-1H-BENZINDENYL)-",096792-67-5,3086435,"1-[(3R,3aS,6R,7aR)-3,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethanone",C[C@@H]1CC[C@H]2[C@H](CN([C@@H]2C1)C(=O)C)C,"InChI=1S/C12H21NO/c1-8-4-5-11-9(2)7-13(10(3)14)12(11)6-8/h8-9,11-12H,4-7H2,1-3H3/t8-,9+,11+,12-/m1/s1",IYQXQRZPAZBRCU-LLHIFLOGSA-N,C12H21NO,195.3,195.1623143,2.4,20.3,238,0,0,1,0,14,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2(1H)-QUINOXALINONE, 6-CHLORO-",002427-71-6,75507,6-chloro-1H-quinoxalin-2-one,C1=CC2=C(C=C1Cl)N=CC(=O)N2,"InChI=1S/C8H5ClN2O/c9-5-1-2-6-7(3-5)10-4-8(12)11-6/h1-4H,(H,11,12)",SJAZZQLTKBYDHN-UHFFFAOYSA-N,C8H5ClN2O,180.59,180.0090405,1.4,41.5,229,0,1,2,0,12,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2-Quinoxalinol, 3-methyl-",14003-34-0,26384,3-methyl-1H-quinoxalin-2-one,CC1=NC2=CC=CC=C2NC1=O,"InChI=1S/C9H8N2O/c1-6-9(12)11-8-5-3-2-4-7(8)10-6/h2-5H,1H3,(H,11,12)",BMIMNRPAEPIYDN-UHFFFAOYSA-N,C9H8N2O,160.17,160.0636629,0.7,41.5,235,0,1,2,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzo(c)phenanthrene, 5-methyl-",652-04-0,12596,5-methylbenzo[c]phenanthrene,CC1=CC2=C(C3=CC=CC=C3C=C2)C4=CC=CC=C14,"InChI=1S/C19H14/c1-13-12-15-11-10-14-6-2-3-8-17(14)19(15)18-9-5-4-7-16(13)18/h2-12H,1H3",PSEUAMGCKSRKQL-UHFFFAOYSA-N,C19H14,242.3,242.1095504,6.6,0,320,0,0,0,0,19,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 4-[(5-CYANO-1-ETHYL-1,6-DIHYDRO-2-HYDROXY-4-METHYL-6-OXO-3-PYRID",049744-26-5,162576,2-(2-methoxyethoxy)ethyl 4-[(5-cyano-1-ethyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)diazenyl]benzoate,CCN1C(=C(C(=C(C1=O)N=NC2=CC=C(C=C2)C(=O)OCCOCCOC)C)C#N)O,"InChI=1S/C21H24N4O6/c1-4-25-19(26)17(13-22)14(2)18(20(25)27)24-23-16-7-5-15(6-8-16)21(28)31-12-11-30-10-9-29-3/h5-8,26H,4,9-12H2,1-3H3",AKKLPLPBIJUVIJ-UHFFFAOYSA-N,C21H24N4O6,428.4,428.1695845,2.1,134,802,0,1,9,11,31,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANONE, 1-(1,2,3,4,6,7,8,8A-OCTAHYDRO-2,3,8,8-TETRAMETHYL-2-NAPHTHALENYL)-",068155-67-9,109194,"1-(2,3,8,8-tetramethyl-1,3,4,6,7,8a-hexahydronaphthalen-2-yl)ethanone",CC1CC2=CCCC(C2CC1(C)C(=O)C)(C)C,"InChI=1S/C16H26O/c1-11-9-13-7-6-8-15(3,4)14(13)10-16(11,5)12(2)17/h7,11,14H,6,8-10H2,1-5H3",YLWIXGWLTDBBHL-UHFFFAOYSA-N,C16H26O,234.38,234.1983654,3.7,17.1,364,0,0,1,1,17,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'-alpha,10-alpha)-",17479-19-5,107715,"(6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide",CC(C)[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@H]6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C,"InChI=1S/C35H41N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41)/t23-,25-,27-,28+,29+,34-,35+/m1/s1",DEQITUUQPICUMR-HJPBWRTMSA-N,C35H41N5O5,611.7,611.3107694,3.3,118,1210,0,3,6,5,45,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BISMARK BROWN R,008005-78-5,79459,"4-[[3-[(2,4-diamino-5-methylphenyl)diazenyl]-4-methylphenyl]diazenyl]-6-methylbenzene-1,3-diamine;dihydrochloride",CC1=C(C=C(C=C1)N=NC2=C(C=C(C(=C2)C)N)N)N=NC3=C(C=C(C(=C3)C)N)N.Cl.Cl,"InChI=1S/C21H24N8.2ClH/c1-11-4-5-14(26-28-20-6-12(2)15(22)9-17(20)24)8-19(11)27-29-21-7-13(3)16(23)10-18(21)25;;/h4-10H,22-25H2,1-3H3;2*1H",WLKAMFOFXYCYDK-UHFFFAOYSA-N,C21H26Cl2N8,461.4,460.1657483,,154,581,0,6,8,4,31,,,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"ETHANONE, 1-(1,2,3,4,5,6,7,8-OCTAHYDRO-2,3,5,5-TETRAMETHYL-2-NAPHTHALENYL)-",054464-59-4,108243,"1-(2,3,5,5-tetramethyl-1,3,4,6,7,8-hexahydronaphthalen-2-yl)ethanone",CC1CC2=C(CCCC2(C)C)CC1(C)C(=O)C,"InChI=1S/C16H26O/c1-11-9-14-13(7-6-8-15(14,3)4)10-16(11,5)12(2)17/h11H,6-10H2,1-5H3",LCZYWDBISQLZSE-UHFFFAOYSA-N,C16H26O,234.38,234.1983654,3.6,17.1,375,0,0,1,1,17,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
DOCETAXEL,114977-28-5,148124,"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate",CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O,"InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1",ZDZOTLJHXYCWBA-VCVYQWHSSA-N,C43H53NO14,807.9,807.3466054,1.6,224,1660,0,5,14,13,58,,,0,0,0,0,0,1,0,1,0,0,1,0,0,1,0,0,1,0,1,0
7-METHYLGUANINE,000578-76-7,135398679,2-amino-7-methyl-1H-purin-6-one,CN1C=NC2=C1C(=O)NC(=N2)N,"InChI=1S/C6H7N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,12)",FZWGECJQACGGTI-UHFFFAOYSA-N,C6H7N5O,165.15,165.0650599,-1.1,85.3,250,0,2,3,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BISPHENOL A DIGLYCIDYL ETHER,001675-54-3,2286,2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane,CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC=C(C=C3)OCC4CO4,"InChI=1S/C21H24O4/c1-21(2,15-3-7-17(8-4-15)22-11-19-13-24-19)16-5-9-18(10-6-16)23-12-20-14-25-20/h3-10,19-20H,11-14H2,1-2H3",LCFVJGUPQDGYKZ-UHFFFAOYSA-N,C21H24O4,340.4,340.1674592,4,43.5,384,0,0,4,8,25,"greater than 200 °F (NTP, 1992)","Decomposes (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"s-Triazolo(1,5-a)pyrimidine, 5,7-dimethyl-",7681-99-4,24356,"5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine",CC1=CC(=NC2=NC=NN12)C,"InChI=1S/C7H8N4/c1-5-3-6(2)11-7(10-5)8-4-9-11/h3-4H,1-2H3",WXVQCFALDUVKSC-UHFFFAOYSA-N,C7H8N4,148.17,148.0748963,0.9,43.1,149,0,0,3,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
ACENAPHTHENE,000083-32-9,6734,"1,2-dihydroacenaphthylene",C1CC2=CC=CC3=C2C1=CC=C3,"InChI=1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2",CWRYPZZKDGJXCA-UHFFFAOYSA-N,C12H10,154.21,154.0782503,3.9,0,155,0,0,0,0,12,125.0 °C (257.0 °F) - closed cup,"534 °F at 760 mmHg (NTP, 1992)",1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
4-AMINO-N-(5-METHYL-3-ISOXAZOLYL)BENZENESULFONAMIDE,000723-46-6,5329,"4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide",CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N,"InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)",JLKIGFTWXXRPMT-UHFFFAOYSA-N,C10H11N3O3S,253.28,253.0521124,0.9,107,346,0,2,6,3,17,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"Imidazo(1,2-a)pyridine-3-carbonitrile",6200-59-5,80330,"imidazo[1,2-a]pyridine-3-carbonitrile",C1=CC2=NC=C(N2C=C1)C#N,"InChI=1S/C8H5N3/c9-5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6H",DREUPRFRJOSEAM-UHFFFAOYSA-N,C8H5N3,143.15,143.0483472,1.8,41.1,193,0,0,2,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CYCLOHEXANOL, 3-(5,5,6-TRIMETHYLBICYCLO[2.2.1]HEPT-2-YL)-",003407-42-9,103005,"3-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol",CC1C2CC(C1(C)C)CC2C3CCCC(C3)O,"InChI=1S/C16H28O/c1-10-14-8-12(16(10,2)3)9-15(14)11-5-4-6-13(17)7-11/h10-15,17H,4-9H2,1-3H3",BWVZAZPLUTUBKD-UHFFFAOYSA-N,C16H28O,236.39,236.2140155,4.6,20.2,296,0,1,1,1,17,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"CYCLOHEXANOL, 4-(5,5,6-TRIMETHYLBICYCLO[2.2.1]HEPT-2-YL)-",066068-84-6,106673,"4-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol",CC1C2CC(C1(C)C)CC2C3CCC(CC3)O,"InChI=1S/C16H28O/c1-10-14-8-12(16(10,2)3)9-15(14)11-4-6-13(17)7-5-11/h10-15,17H,4-9H2,1-3H3",PCFHYANYPQEMPU-UHFFFAOYSA-N,C16H28O,236.39,236.2140155,4.5,20.2,288,0,1,1,1,17,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
Veratrine (mixture),008051-02-3,5380394,"[(1R,2S,6S,9S,10R,11S,12S,14R,15S,18S,19S,22S,23S,25R)-1,10,11,12,14,23-hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] (Z)-2-methylbut-2-enoate",C/C=C(/C)\C(=O)O[C@H]1CC[C@]2([C@H]3[C@@]1(O[C@@]24C[C@]5([C@@H]6CN7C[C@H](CC[C@H]7[C@@]([C@]6([C@H](C[C@]5([C@@H]4CC3)O)O)O)(C)O)C)O)O)C,"InChI=1S/C32H49NO9/c1-6-18(3)25(35)41-24-11-12-26(4)19-8-9-20-28(37)13-23(34)31(39)21(29(28,38)16-30(20,26)42-32(19,24)40)15-33-14-17(2)7-10-22(33)27(31,5)36/h6,17,19-24,34,36-40H,7-16H2,1-5H3/b18-6-/t17-,19-,20-,21-,22-,23-,24-,26-,27+,28+,29+,30+,31-,32-/m0/s1",DBUCFOVFALNEOO-HWBIYQLFSA-N,C32H49NO9,591.7,591.3407321,0.6,160,1230,0,6,10,3,42,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CHROMATE(3-), BIS[3-HYDROXY-4-[(2-HYDROXY-1-NAPHTHALENYL)AZO]-1-NAPHTHALENESUL",019154-31-5,159862,chromium(3+);hydron;bis(3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate),[H+].[H+].[H+].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C4=CC=CC=C43)S(=O)(=O)[O-])[O-])[O-].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C4=CC=CC=C43)S(=O)(=O)[O-])[O-])[O-].[Cr+3],"InChI=1S/2C20H14N2O5S.Cr/c2*23-16-10-9-12-5-1-2-6-13(12)19(16)21-22-20-15-8-4-3-7-14(15)18(11-17(20)24)28(25,26)27;/h2*1-11,23-24H,(H,25,26,27);/q;;+3/p-3",RKPHXALLZGIJBL-UHFFFAOYSA-K,C40H25CrN4O10S2,837.8,837.041715,,273,665,0,3,14,4,57,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Propanoic acid, 2-(4-((6-chloro-2-benzoxazolyl)oxy)phenoxy)-, (+-)-",95617-09-7,86134,"2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoic acid",CC(C(=O)O)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl,"InChI=1S/C16H12ClNO5/c1-9(15(19)20)21-11-3-5-12(6-4-11)22-16-18-13-7-2-10(17)8-14(13)23-16/h2-9H,1H3,(H,19,20)",MPPOHAUSNPTFAJ-UHFFFAOYSA-N,C16H12ClNO5,333.72,333.0404002,3.4,81.8,415,0,1,6,5,23,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
Sennoside B,128-57-4,91440,"(9S)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid",C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C([C@@H]2[C@H]5C6=C(C(=CC=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O,"InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/t23-,24-,25-,26+,31-,32-,35+,36+,37-,38-,41-,42-/m1/s1",IPQVTOJGNYVQEO-AIFLABODSA-N,C42H38O20,862.7,862.1956436,1.2,348,1550,0,12,20,9,62,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"10H-Pyrido(3,2-b)(1,4)benzothiazine, 10-(2-dimethylamino-2-methylethyl)-, hydrochloride",1225-60-1,14668,"N,N-dimethyl-1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-amine;hydrochloride",CC(CN1C2=CC=CC=C2SC3=C1N=CC=C3)N(C)C.Cl,"InChI=1S/C16H19N3S.ClH/c1-12(18(2)3)11-19-13-7-4-5-8-14(13)20-15-9-6-10-17-16(15)19;/h4-10,12H,11H2,1-3H3;1H",RQHCFTORMXCNGP-UHFFFAOYSA-N,C16H20ClN3S,321.9,321.1066465,,44.7,323,0,1,4,3,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"10H-Pyrido(3,2-b)(1,4)benzothiazine, 10-(3-(dimethylamino)propyl)-, monohydrochloride",1225-65-6,14669,"N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine;hydrochloride",CN(C)CCCN1C2=CC=CC=C2SC3=C1N=CC=C3.Cl,"InChI=1S/C16H19N3S.ClH/c1-18(2)11-6-12-19-13-7-3-4-8-14(13)20-15-9-5-10-17-16(15)19;/h3-5,7-10H,6,11-12H2,1-2H3;1H",CQJSAKJMCVSEGU-UHFFFAOYSA-N,C16H20ClN3S,321.9,321.1066465,,44.7,310,0,1,4,4,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5R-(5-alpha,5a-beta,8a-alpha,9-beta))-",6559-91-7,122797,"(5S,5aR,8aR,9R)-5-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one",COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O,"InChI=1S/C21H20O8/c1-25-15-3-9(4-16(26-2)20(15)23)17-10-5-13-14(29-8-28-13)6-11(10)19(22)12-7-27-21(24)18(12)17/h3-6,12,17-19,22-23H,7-8H2,1-2H3/t12-,17+,18-,19+/m0/s1",YVCVYCSAAZQOJI-JHQYFNNDSA-N,C21H20O8,400.4,400.1158176,1.7,104,614,0,2,8,3,29,,,0,0,0,0,0,1,0,1,0,0,1,0,0,1,0,0,1,0,0,0
"Spiro(3H-indole-3,6'(4a'H)-(1H)pyrano(3,4-f)indolizine)-4'-carboxylic acid, 1,2,5',5'a,7',8',10',10'a-octahydro-1'-methyl-2-oxo-, methyl ester, (1'S,3R,4a'S,5a'S,10a'R)-",509-80-8,94160,"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",C[C@H]1[C@H]2CN3CC[C@]4([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O,"InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13-,14+,18-,21+/m0/s1",JMIAZDVHNCCPDM-DAFCLMLCSA-N,C21H24N2O4,368.4,368.1736073,1.6,67.9,692,0,1,5,2,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Spiro(3H-indole-3,6'(4'aH)-(1H)pyrano(3,4-f)indolizine)-4'-carboxylic acid, 1,2,5',5'a,7',8',10',10'a-octahydro-1'-methyl-2-oxo-, methyl ester, (1'S,3R,4'aS,5'aS,10'aS)-",5629-60-7,10429112,"methyl (1S,4aS,5aS,6R,10aS)-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate",C[C@H]1[C@@H]2CN3CC[C@]4([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O,"InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13-,14-,18-,21+/m0/s1",JMIAZDVHNCCPDM-QLMFUGSGSA-N,C21H24N2O4,368.4,368.1736073,1.6,67.9,692,0,1,5,2,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-Thiazolidinecarboxylic acid, 2-phenyl-",42607-21-6,39237,"2-phenyl-1,3-thiazolidine-4-carboxylic acid",C1C(NC(S1)C2=CC=CC=C2)C(=O)O,"InChI=1S/C10H11NO2S/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h1-5,8-9,11H,6H2,(H,12,13)",AZDYQBFYMBALBY-UHFFFAOYSA-N,C10H11NO2S,209.27,209.0510498,-0.8,74.6,216,0,2,4,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-Indazole, 2-methyl-7-nitro-",13436-58-3,159668,2-methyl-7-nitroindazole,CN1C=C2C=CC=C(C2=N1)[N+](=O)[O-],"InChI=1S/C8H7N3O2/c1-10-5-6-3-2-4-7(11(12)13)8(6)9-10/h2-5H,1H3",IFVSROJIKNMTNX-UHFFFAOYSA-N,C8H7N3O2,177.16,177.0538265,1.4,63.6,216,0,0,3,0,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, 1-benzoyl-3-phenyl-2-thio-",4921-82-8,728148,N-(phenylcarbamothioyl)benzamide,C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2,"InChI=1S/C14H12N2OS/c17-13(11-7-3-1-4-8-11)16-14(18)15-12-9-5-2-6-10-12/h1-10H,(H2,15,16,17,18)",GVHZQIIMGRLFMX-UHFFFAOYSA-N,C14H12N2OS,256.32,256.0670342,4,73.2,294,0,2,2,2,18,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, 1-benzoyl-3-(p-(dimethylamino)phenyl)-2-thio-",6281-64-7,766937,N-[[4-(dimethylamino)phenyl]carbamothioyl]benzamide,CN(C)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2,"InChI=1S/C16H17N3OS/c1-19(2)14-10-8-13(9-11-14)17-16(21)18-15(20)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,17,18,20,21)",KLFUYYZGYDCQSZ-UHFFFAOYSA-N,C16H17N3OS,299.4,299.1092334,4.1,76.5,359,0,2,3,3,21,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Morpholine, 4-((4-aminophenyl)sulfonyl)-",21626-70-0,210794,4-morpholin-4-ylsulfonylaniline,C1COCCN1S(=O)(=O)C2=CC=C(C=C2)N,"InChI=1S/C10H14N2O3S/c11-9-1-3-10(4-2-9)16(13,14)12-5-7-15-8-6-12/h1-4H,5-8,11H2",FTKHPQFFQRKOJC-UHFFFAOYSA-N,C10H14N2O3S,242.3,242.0725135,0,81,311,0,1,5,2,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Benzoic acid, 4-chloro-3-(4-morpholinylsulfonyl)-",59210-65-0,767900,4-chloro-3-morpholin-4-ylsulfonylbenzoic acid,C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl,"InChI=1S/C11H12ClNO5S/c12-9-2-1-8(11(14)15)7-10(9)19(16,17)13-3-5-18-6-4-13/h1-2,7H,3-6H2,(H,14,15)",FHALQCKQZFYPGB-UHFFFAOYSA-N,C11H12ClNO5S,305.74,305.0124714,0.9,92.3,429,0,1,6,3,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-Cyclohexanedione, 2-(4-(methylsulfonyl)-2-nitrobenzoyl)-",104206-82-8,175967,"2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione",CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-],"InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3",KPUREKXXPHOJQT-UHFFFAOYSA-N,C14H13NO7S,339.32,339.0412729,0.7,140,627,0,0,7,3,23,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"Benzenamine, 4-(8,9-dihydro-8-methyl-7H-1,3-dioxolo(4,5-h)(2,3)benzodiazepin-5-yl)-",114460-08-1,3539,"4-(8-methyl-8,9-dihydro-7H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)aniline",CC1CC2=CC3=C(C=C2C(=NN1)C4=CC=C(C=C4)N)OCO3,"InChI=1S/C17H17N3O2/c1-10-6-12-7-15-16(22-9-21-15)8-14(12)17(20-19-10)11-2-4-13(18)5-3-11/h2-5,7-8,10,19H,6,9,18H2,1H3",AQTITSBNGSVQNZ-UHFFFAOYSA-N,C17H17N3O2,295.34,295.1320768,3.3,68.9,434,0,2,5,1,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Quinazolinamine, N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-, monohydrochloride",183319-69-9,176871,"N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;hydrochloride",COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC.Cl,"InChI=1S/C22H23N3O4.ClH/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22;/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25);1H",GTTBEUCJPZQMDZ-UHFFFAOYSA-N,C22H24ClN3O4,429.9,429.1455339,,74.7,525,0,2,7,11,30,,,0,0,0,1,0,1,1,1,0,0,0,0,0,1,0,0,1,1,0,0
"3-Pyridinol, 6-methyl-2-(phenylazo)-",31993-01-8,5218788,6-methyl-2-phenyldiazenylpyridin-3-ol,CC1=NC(=C(C=C1)O)N=NC2=CC=CC=C2,"InChI=1S/C12H11N3O/c1-9-7-8-11(16)12(13-9)15-14-10-5-3-2-4-6-10/h2-8,16H,1H3",LOCPVWIREQIGNQ-UHFFFAOYSA-N,C12H11N3O,213.23,213.090212,3,57.8,238,0,1,4,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Berbinium, 7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)-, sulfate (1:1)",633-66-9,12457,"16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene;hydrogen sulfate",COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.OS(=O)(=O)[O-],"InChI=1S/C20H18NO4.H2O4S/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;1-5(2,3)4/h3-4,7-10H,5-6,11H2,1-2H3;(H2,1,2,3,4)/q+1;/p-1",JISRTQBQFQMSLG-UHFFFAOYSA-M,C20H19NO8S,433.4,433.0831377,,127,564,0,1,8,2,30,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclobutanecarboxylic acid, 3-methylene-",15760-36-8,27475,3-methylidenecyclobutane-1-carboxylic acid,C=C1CC(C1)C(=O)O,"InChI=1S/C6H8O2/c1-4-2-5(3-4)6(7)8/h5H,1-3H2,(H,7,8)",NNKLICLIBKMDOY-UHFFFAOYSA-N,C6H8O2,112.13,112.0524295,0.5,37.3,129,0,1,2,1,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HEPTACHLOR,000076-44-8,3589,"1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]deca-3,8-diene",C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl,"InChI=1S/C10H5Cl7/c11-4-2-1-3-5(4)9(15)7(13)6(12)8(3,14)10(9,16)17/h1-5H",FRCCEHPWNOQAEU-UHFFFAOYSA-N,C10H5Cl7,373.3,371.818144,4.3,0,467,0,0,0,0,17,,"Decomposes (NTP, 1992)",1,1,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"4,7-METHANO-1H-INDENE, 4,5,6,7,8,8-HEXACHLORO-3A,4,7,7A-TETRAHYDRO-",003734-48-3,19519,"1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]deca-3,8-diene",C1C=CC2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,"InChI=1S/C10H6Cl6/c11-6-7(12)9(14)5-3-1-2-4(5)8(6,13)10(9,15)16/h1-2,4-5H,3H2",XCJXQCUJXDUNDN-UHFFFAOYSA-N,C10H6Cl6,338.9,337.857116,4.2,0,439,0,0,0,0,16,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
(+)-2-CARENE,000554-61-0,79044,"3,7,7-trimethylbicyclo[4.1.0]hept-2-ene",CC1=CC2C(C2(C)C)CC1,"InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h6,8-9H,4-5H2,1-3H3",IBVJWOMJGCHRRW-UHFFFAOYSA-N,C10H16,136.23,136.1252005,2.8,0,186,0,0,0,0,10,,,1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,1,0,0
"1-((3R,3AR,7R,8AS)-2,3,4,7,8,8A-HEXAHYDRO-3,6,8,8-TETRAMETHYL-1H-3A,7-METHANOAZULEN-5-YL) ETHANONE",032388-55-9,16220111,"1-[(1R,2R,5S,7R)-2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undec-8-enyl]ethanone",C[C@@H]1CC[C@@H]2[C@@]13C[C@H](C2(C)C)C(=C(C3)C(=O)C)C,"InChI=1S/C17H26O/c1-10-6-7-15-16(4,5)14-9-17(10,15)8-13(11(14)2)12(3)18/h10,14-15H,6-9H2,1-5H3/t10-,14+,15+,17+/m1/s1",YBUIAJZFOGJGLJ-SWRJLBSHSA-N,C17H26O,246.4,246.1983654,4,17.1,443,0,0,1,1,18,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"3H-1,2,4-Triazole-3-thione, 1,4-dihydro-4-methyl-",24854-43-1,1256162,"4-methyl-1H-1,2,4-triazole-5-thione",CN1C=NNC1=S,"InChI=1S/C3H5N3S/c1-6-2-4-5-3(6)7/h2H,1H3,(H,5,7)",AGWWTUWTOBEQFE-UHFFFAOYSA-N,C3H5N3S,115.16,115.0204184,0,59.7,119,0,1,2,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DECAMETHYLFERROCENE,012126-50-0,5148079,"iron(2+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)",C[C-]1C(=C(C(=C1C)C)C)C.C[C-]1C(=C(C(=C1C)C)C)C.[Fe+2],InChI=1S/2C10H15.Fe/c2*1-6-7(2)9(4)10(5)8(6)3;/h2*1-5H3;/q2*-1;+2,SEYZDJPFVVXSRB-UHFFFAOYSA-N,C20H30Fe,326.3,326.169686,,0,337,0,0,2,0,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"O-(1H-6-CHLOROBENZOTRIAZOL-1-YL)-N,N,N',N'-TETRAMETHYLURONIUM HEXAFLUOROPHOSPHATE",330645-87-9,24179320,[(5-chloro-3-oxidobenzotriazol-3-ium-1-yl)-(dimethylamino)methylidene]-dimethylazanium hexafluorophosphate,CN(C)C(=[N+](C)C)N1C2=C(C=C(C=C2)Cl)[N+](=N1)[O-].F[P-](F)(F)(F)(F)F,"InChI=1S/C11H15ClN5O.F6P/c1-14(2)11(15(3)4)16-9-6-5-8(12)7-10(9)17(18)13-16;1-7(2,3,4,5)6/h5-7H,1-4H3;/q+1;-1",AFTGMAUNHUBGAW-UHFFFAOYSA-N,C11H15ClF6N5OP,413.69,413.0606938,,49.5,394,0,0,9,2,25,,,0,0,0,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
"1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-beta,delta,6-trihydroxy-2-methyl-8-((2S)-2-methyl-1-oxobutoxy)-, (beta-R,delta-R,1S,2S,6S,8S,8aR)-",81093-37-0,54687,"(3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid",CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)O,"InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1",TUZYXOIXSAXUGO-PZAWKZKUSA-N,C23H36O7,424.5,424.2461035,1.6,124,656,0,4,7,11,30,,>600 ºC at 760 mmHg,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0
"2(3H)-FURANONE, 3-ETHYLDIHYDRO-4-[(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-, (3S-CIS",000092-13-7,5910,"(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one",CC[C@H]1[C@H](COC1=O)CC2=CN=CN2C,"InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1",QCHFTSOMWOSFHM-WPRPVWTQSA-N,C11H16N2O2,208.26,208.1211778,1.1,44.1,245,0,0,3,3,15,,260 °C @ 5 MM HG (PARTIAL CONVERSION TO ISOPILOCARPINE),0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Oxazoline, 2-amino-4-methyl-5-phenyl-",3568-94-3,92196,"4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine",CC1C(OC(=N1)N)C2=CC=CC=C2,"InChI=1S/C10H12N2O/c1-7-9(13-10(11)12-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H2,11,12)",LJQBMYDFWFGESC-UHFFFAOYSA-N,C10H12N2O,176.21,176.094963,1.2,47.6,209,0,1,2,1,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
HICI,025470-94-4,117518,"1,3,3-trimethyl-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole iodide",CC1(C2=CC=CC=C2[N+](=C1C=CC=C3C(C4=CC=CC=C4N3C)(C)C)C)C.[I-],"InChI=1S/C25H29N2.HI/c1-24(2)18-12-7-9-14-20(18)26(5)22(24)16-11-17-23-25(3,4)19-13-8-10-15-21(19)27(23)6;/h7-17H,1-6H3;1H/q+1;/p-1",ZGBJQZCIUVDAHE-UHFFFAOYSA-M,C25H29IN2,484.4,484.13755,,6.3,623,0,0,2,2,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
Scopolamine-,000051-34-3,3000322,"[(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate",CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4,"InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11?,12-,13-,14+,15-,16+/m1/s1",STECJAGHUSJQJN-USLFZFAMSA-N,C17H21NO4,303.35,303.1470582,0.9,62.3,418,0,1,5,5,22,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Hydantoin, 5-methyl-3-phenyl-2-thio-",4333-19-1,2872314,5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one,CC1C(=O)N(C(=S)N1)C2=CC=CC=C2,"InChI=1S/C10H10N2OS/c1-7-9(13)12(10(14)11-7)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,14)",XGPFPXALZVOKRI-UHFFFAOYSA-N,C10H10N2OS,206.27,206.0513841,1.7,64.4,261,0,1,2,1,14,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4,4'-DIPYRIDYL",000553-26-4,11107,4-pyridin-4-ylpyridine,C1=CN=CC=C1C2=CC=NC=C2,InChI=1S/C10H8N2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-8H,MWVTWFVJZLCBMC-UHFFFAOYSA-N,C10H8N2,156.18,156.0687483,1.4,25.8,108,0,0,2,1,12,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-(1,6)Dioxacycloundecino(2,3,4-gh)pyrrolizine-2,6(3H)-dione, 4,5,8,10,12,13,13a,13b-octahydro-4,5-dihydroxy-4,5-dimethyl-3-(1-methylethyl)-, (3R,4R,5R,13aR,13bR)-",548-90-3,119040,"(1R,4R,5R,6R,16R)-5,6-dihydroxy-5,6-dimethyl-4-propan-2-yl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione",CC(C)[C@H]1C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]1(C)O)(C)O,"InChI=1S/C18H27NO6/c1-10(2)13-15(20)25-12-6-8-19-7-5-11(14(12)19)9-24-16(21)18(4,23)17(13,3)22/h5,10,12-14,22-23H,6-9H2,1-4H3/t12-,13+,14-,17-,18+/m1/s1",SOODLZHDDSGRKL-FOOXYVKASA-N,C18H27NO6,353.4,353.1838376,0.1,96.3,617,0,2,7,1,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
CORTISONE ACETATE,000050-04-4,5745,"[2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate",CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O,"InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-17,20,28H,4-9,11-12H2,1-3H3/t16-,17-,20+,21-,22-,23-/m0/s1",ITRJWOMZKQRYTA-RFZYENFJSA-N,C23H30O6,402.5,402.2042387,2.1,97.7,827,0,1,6,4,29,,,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Dibenz(b,e)oxepin-delta(sup 11(6H),gamma)-propylamine, N,N-dimethyl-, hydrochl",001229-29-4,6419921,"(3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride",CN(C)CC/C=C/1\C2=CC=CC=C2COC3=CC=CC=C31.Cl,"InChI=1S/C19H21NO.ClH/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19;/h3-6,8-12H,7,13-14H2,1-2H3;1H/b17-11+;",MHNSPTUQQIYJOT-SJDTYFKWSA-N,C19H22ClNO,315.8,315.138992,,12.5,363,0,1,2,3,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Dibenz(b,f)(1,4)oxazepine, 2-chloro-11-(4-methyl-1-piperazinyl)-",001977-10-2,3964,"8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine",CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl,"InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3",XJGVXQDUIWGIRW-UHFFFAOYSA-N,C18H18ClN3O,327.8,327.1138399,3.1,28.1,450,0,0,3,1,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Quinoxaline, 1,2,3,4-tetrahydro-1-methyl-",36438-97-8,215850,"4-methyl-2,3-dihydro-1H-quinoxaline",CN1CCNC2=CC=CC=C21,"InChI=1S/C9H12N2/c1-11-7-6-10-8-4-2-3-5-9(8)11/h2-5,10H,6-7H2,1H3",SXLZJUPRTINRQQ-UHFFFAOYSA-N,C9H12N2,148.2,148.1000484,1.8,15.3,136,0,1,2,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Quinoxaline, 1,2,3,4-tetrahydro-1-ethyl-",73855-46-6,3056887,"4-ethyl-2,3-dihydro-1H-quinoxaline",CCN1CCNC2=CC=CC=C21,"InChI=1S/C10H14N2/c1-2-12-8-7-11-9-5-3-4-6-10(9)12/h3-6,11H,2,7-8H2,1H3",KIDFEKJWQHWALS-UHFFFAOYSA-N,C10H14N2,162.23,162.1156985,2.2,15.3,147,0,1,2,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, (2,3-dichloro-4-(2-thienylcarbonyl)phenoxy)-",40180-04-9,38409,"2-[2,3-dichloro-4-(thiophene-2-carbonyl)phenoxy]acetic acid",C1=CSC(=C1)C(=O)C2=C(C(=C(C=C2)OCC(=O)O)Cl)Cl,"InChI=1S/C13H8Cl2O4S/c14-11-7(13(18)9-2-1-5-20-9)3-4-8(12(11)15)19-6-10(16)17/h1-5H,6H2,(H,16,17)",AGHANLSBXUWXTB-UHFFFAOYSA-N,C13H8Cl2O4S,331.2,329.9520353,4.1,91.8,379,0,1,5,5,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AMSACRINE,051264-14-3,2179,N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide,COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=CC3=NC4=CC=CC=C42,"InChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)",XCPGHVQEEXUHNC-UHFFFAOYSA-N,C21H19N3O3S,393.5,393.1147127,4,88.7,601,0,2,6,5,28,,,0,0,0,1,0,1,0,0,0,0,1,0,0,1,0,0,0,1,0,0
"Acridine, 9-(p-nitroanilino)-",64895-30-3,47484,N-(4-nitrophenyl)acridin-9-amine,C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)[N+](=O)[O-],"InChI=1S/C19H13N3O2/c23-22(24)14-11-9-13(10-12-14)20-19-15-5-1-3-7-17(15)21-18-8-4-2-6-16(18)19/h1-12H,(H,20,21)",PAOOQRRWBZDBPN-UHFFFAOYSA-N,C19H13N3O2,315.3,315.1007767,4.9,70.7,422,0,1,4,2,24,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Thiophene, 2,3-dihydro-, 1,1-dioxide",1192-16-1,14497,"2,3-dihydrothiophene 1,1-dioxide",C1CS(=O)(=O)C=C1,"InChI=1S/C4H6O2S/c5-7(6)3-1-2-4-7/h1,3H,2,4H2",DYGJDTCGUUMUBL-UHFFFAOYSA-N,C4H6O2S,118.16,118.0088506,0.1,42.5,170,0,0,2,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
MIDAZOLAM HYDROCHLORIDE,059467-96-8,43032,"8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;hydrochloride",CC1=NC=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F.Cl,"InChI=1S/C18H13ClFN3.ClH/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13;/h2-9H,10H2,1H3;1H",PLYSCVSCYOQVRP-UHFFFAOYSA-N,C18H14Cl2FN3,362.2,361.054881,,30.2,471,0,1,3,1,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,1
3-METHYLGLUTARIC ANHYDRIDE,004166-53-4,77828,"4-methyloxane-2,6-dione",CC1CC(=O)OC(=O)C1,"InChI=1S/C6H8O3/c1-4-2-5(7)9-6(8)3-4/h4H,2-3H2,1H3",MGICRVTUCPFQQZ-UHFFFAOYSA-N,C6H8O3,128.13,128.0473441,0.3,43.4,134,0,0,3,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"s-Triazin-2(1H)-one, 4-amino-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-",002353-33-5,451668,"4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one",C1[C@@H]([C@H](O[C@H]1N2C=NC(=NC2=O)N)CO)O,"InChI=1S/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5+,6+/m0/s1",XAUDJQYHKZQPEU-KVQBGUIXSA-N,C8H12N4O4,228.21,228.0858549,-1.2,121,356,0,3,4,2,16,,,0,0,0,1,0,0,0,1,0,0,1,0,0,1,0,0,1,0,0,1
"4-ANDROSTENE-3,17-DIONE",000063-05-8,6128,"(8R,9S,10R,13S,14S)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione",C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,"InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1",AEMFNILZOJDQLW-QAGGRKNESA-N,C19H26O2,286.4,286.1932801,2.7,34.1,546,0,0,2,0,21,,Decomposes at 200 °C before boiling,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
MIFEPRISTONE,084371-65-3,55245,"(8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one",CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)N(C)C)C)O,"InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1",VKHAHZOOUSRJNA-GCNJZUOMSA-N,C29H35NO2,429.6,429.2667794,3.8,40.5,921,0,1,3,3,32,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"1H-1,2,4-Triazole, 1-((2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl)methyl)-",60207-93-4,91673,"1-[[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole",CCC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl,"InChI=1S/C14H15Cl2N3O2/c1-2-11-6-20-14(21-11,7-19-9-17-8-18-19)12-4-3-10(15)5-13(12)16/h3-5,8-9,11H,2,6-7H2,1H3",DWRKFAJEBUWTQM-UHFFFAOYSA-N,C14H15Cl2N3O2,328.2,327.0541321,3,49.2,363,0,0,4,4,21,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Butanoic acid, 2-methyl-, 1,2,3,7,8,8a-hexahydro-7-methyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester, (1S-(1-alpha(R*),7-beta,8-beta(2S*,4S*),8a-beta))-",73573-88-3,64715,"[(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate",CC[C@H](C)C(=O)O[C@H]1CCC=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O,"InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1",AJLFOPYRIVGYMJ-INTXDZFKSA-N,C23H34O5,390.5,390.2406242,3.9,72.8,637,0,1,5,7,28,,,0,0,0,0,0,1,1,0,0,0,0,0,0,1,0,0,0,1,1,0
BENZANTHRONE,000082-05-3,6697,benzo[a]phenalen-7-one,C1=CC=C2C(=C1)C3=CC=CC4=C3C(=CC=C4)C2=O,InChI=1S/C17H10O/c18-17-14-8-2-1-7-12(14)13-9-3-5-11-6-4-10-15(17)16(11)13/h1-10H,HUKPVYBUJRAUAG-UHFFFAOYSA-N,C17H10O,230.26,230.0731649,4.3,17.1,348,0,0,1,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, ((7-oxo-7H-benz(de)anthracen-3-yl)thio)-",69658-13-5,50603,2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetic acid,C1=CC=C2C(=C1)C3=C4C(=C(C=C3)SCC(=O)O)C=CC=C4C2=O,"InChI=1S/C19H12O3S/c20-17(21)10-23-16-9-8-12-11-4-1-2-5-13(11)19(22)15-7-3-6-14(16)18(12)15/h1-9H,10H2,(H,20,21)",QQRGUQLAJOQLIW-UHFFFAOYSA-N,C19H12O3S,320.4,320.0507154,4.4,79.7,491,0,1,4,3,23,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-7-OXO-6-[(PH",000132-98-9,23676814,"potassium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)[O-])C.[K+],"InChI=1S/C16H18N2O5S.K/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);/q;+1/p-1/t11-,12+,14-;/m1./s1",HCTVWSOKIJULET-LQDWTQKMSA-M,C16H17KN2O5S,388.5,388.0495243,,124,553,0,1,6,5,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"Penicillanic acid, 6-phenoxyacetamido-",87-08-1,6869,"(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C,"InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1",BPLBGHOLXOTWMN-MBNYWOFBSA-N,C16H18N2O5S,350.4,350.0936429,2.1,121,547,0,2,6,5,24,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
DINONYLNAPHTHALENESULFONIC ACID BARIUM SALT,025619-56-1,160104,"barium(2+);bis(2,3-di(nonyl)naphthalene-1-sulfonate)",CCCCCCCCCC1=CC2=CC=CC=C2C(=C1CCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCC1=CC2=CC=CC=C2C(=C1CCCCCCCCC)S(=O)(=O)[O-].[Ba+2],"InChI=1S/2C28H44O3S.Ba/c2*1-3-5-7-9-11-13-15-19-24-23-25-20-17-18-22-27(25)28(32(29,30)31)26(24)21-16-14-12-10-8-6-4-2;/h2*17-18,20,22-23H,3-16,19,21H2,1-2H3,(H,29,30,31);/q;;+2/p-2",YSIQDTZQRDDQNF-UHFFFAOYSA-L,C56H86BaO6S2,1056.7,1056.49183,,131,554,0,0,6,32,65,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
NITRO BLUE TETRAZOLIUM,000298-83-9,9282,2-[2-methoxy-4-[3-methoxy-4-[3-(4-nitrophenyl)-5-phenyltetrazol-2-ium-2-yl]phenyl]phenyl]-3-(4-nitrophenyl)-5-phenyltetrazol-2-ium,COC1=C(C=CC(=C1)C2=CC(=C(C=C2)[N+]3=NC(=NN3C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5)OC)[N+]6=NC(=NN6C7=CC=C(C=C7)[N+](=O)[O-])C8=CC=CC=C8,"InChI=1S/C40H30N10O6/c1-55-37-25-29(13-23-35(37)47-43-39(27-9-5-3-6-10-27)41-45(47)31-15-19-33(20-16-31)49(51)52)30-14-24-36(38(26-30)56-2)48-44-40(28-11-7-4-8-12-28)42-46(48)32-17-21-34(22-18-32)50(53)54/h3-26H,1-2H3/q+2",JPXMTWWFLBLUCD-UHFFFAOYSA-N,C40H30N10O6+2,746.7,746.2349787,12,179,1180,2,0,10,9,56,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Pyrrolidinone, 3-hydroxy-1-methyl-5-(3-pyridinyl)-",34834-67-8,107963,"(3R,5S)-3-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one",CN1[C@@H](C[C@H](C1=O)O)C2=CN=CC=C2,"InChI=1S/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3/t8-,9+/m0/s1",XOKCJXZZNAUIQN-DTWKUNHWSA-N,C10H12N2O2,192.21,192.0898776,-0.9,53.4,232,0,1,3,1,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"18-alpha-Olean-12-en-30-oic acid, 3-beta-hydroxy-11-oxo-",1449-05-4,73398,"(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid",C[C@]12CC[C@](C[C@@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)O,"InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21+,22+,23-,26-,27+,28+,29-,30-/m1/s1",MPDGHEJMBKOTSU-PMTKVOBESA-N,C30H46O4,470.7,470.3396099,6.4,74.6,965,0,2,4,1,34,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
D-CYCLOSERINE,000068-41-7,6234,"(4R)-4-amino-1,2-oxazolidin-3-one",C1[C@H](C(=O)NO1)N,"InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m1/s1",DYDCUQKUCUHJBH-UWTATZPHSA-N,C3H6N2O2,102.09,102.0429274,-1.5,64.4,92,0,2,3,0,7,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Azulene, 1,4-dimethyl-7-ethyl-",529-05-5,10719,"7-ethyl-1,4-dimethylazulene",CCC1=CC2=C(C=CC2=C(C=C1)C)C,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",GXGJIOMUZAGVEH-UHFFFAOYSA-N,C14H16,184.28,184.1252005,4.4,0,184,0,0,0,1,14,,159.00 °C. @ 11.00 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
AZULENE,000275-51-4,9231,azulene,C1=CC=C2C=CC=C2C=C1,InChI=1S/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H,CUFNKYGDVFVPHO-UHFFFAOYSA-N,C10H8,128.17,128.0626003,3.2,0,94,0,0,0,0,10,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"ZINC, BIS(8-QUINOLINOLATO-N1,O8)-, (T-4)-",013978-85-3,84127,zinc bis(quinolin-8-olate),C1=CC2=C(C(=C1)[O-])N=CC=C2.C1=CC2=C(C(=C1)[O-])N=CC=C2.[Zn+2],"InChI=1S/2C9H7NO.Zn/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;/q;;+2/p-2",HTPBWAPZAJWXKY-UHFFFAOYSA-L,C18H12N2O2Zn,353.7,352.019019,,71.9,138,0,0,4,0,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
8-HYDROXYQUINOLINE HEMISULFATE,000134-31-6,517000,bis(quinolin-8-ol);sulfuric acid,C1=CC2=C(C(=C1)O)N=CC=C2.C1=CC2=C(C(=C1)O)N=CC=C2.OS(=O)(=O)O,"InChI=1S/2C9H7NO.H2O4S/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;1-5(2,3)4/h2*1-6,11H;(H2,1,2,3,4)",YYVFXSYQSOZCOQ-UHFFFAOYSA-N,C18H16N2O6S,388.4,388.0729074,,149,219,0,4,8,0,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benz(c)acridine, 7,9-dimethyl-",963-89-3,13757,"7,9-dimethylbenzo[c]acridine",CC1=CC2=C(C=C1)N=C3C(=C2C)C=CC4=CC=CC=C43,"InChI=1S/C19H15N/c1-12-7-10-18-17(11-12)13(2)15-9-8-14-5-3-4-6-16(14)19(15)20-18/h3-11H,1-2H3",HEFJMRLDXHSXEP-UHFFFAOYSA-N,C19H15N,257.3,257.1204495,5.5,12.9,352,0,0,1,0,20,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,5-DIAMINO-2,6-DIMERCAPTOPYRIMIDINE",031295-41-7,1268115,"5,6-diamino-1H-pyrimidine-2,4-dithione",C1(=C(NC(=S)NC1=S)N)N,"InChI=1S/C4H6N4S2/c5-1-2(6)7-4(10)8-3(1)9/h5H2,(H4,6,7,8,9,10)",IQGYCVKWCYGVBK-UHFFFAOYSA-N,C4H6N4S2,174.3,174.0033886,-0.7,140,231,0,4,4,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"IBOGAINE (CONSTITUENT OF ""TABERNANTHE IBOGA"" PLANT",000083-74-9,197060,"(1R,15R,17S,18S)-17-ethyl-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene",CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC,"InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13+,17+,20+/m1/s1",HSIBGVUMFOSJPD-CFDPKNGZSA-N,C20H26N2O,310.4,310.2045135,3.9,28.3,455,0,1,2,2,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ibogamine-18-carboxylic acid, 12-methoxy-, methyl ester",510-22-5,73255,"methyl (1S,15S,17S,18S)-17-ethyl-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate",CC[C@H]1C[C@H]2C[C@@]3([C@H]1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC)C(=O)OC,"InChI=1S/C22H28N2O3/c1-4-14-9-13-11-22(21(25)27-3)19-16(7-8-24(12-13)20(14)22)17-10-15(26-2)5-6-18(17)23-19/h5-6,10,13-14,20,23H,4,7-9,11-12H2,1-3H3/t13-,14-,20-,22+/m0/s1",MMAYTCMMKJYIAM-RUGRQLENSA-N,C22H28N2O3,368.5,368.2099928,3.5,54.6,598,0,1,4,4,27,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"QUINOLINE, 6-ETHOXY-1,2-DIHYDRO-2,2,4-TRIMETHYL-",000091-53-2,3293,"6-ethoxy-2,2,4-trimethyl-1H-quinoline",CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C,"InChI=1S/C14H19NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3",DECIPOUIJURFOJ-UHFFFAOYSA-N,C14H19NO,217.31,217.1466642,3.1,21.3,282,0,1,2,2,16,"225 °F (NTP, 1992)","253 to 257 °F at 2 mmHg (NTP, 1992)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"QUINOLINE, 1,2-DIHYDRO-2,2,4-TRIMETHYL-",000147-47-7,8981,"2,2,4-trimethyl-1H-quinoline",CC1=CC(NC2=CC=CC=C12)(C)C,"InChI=1S/C12H15N/c1-9-8-12(2,3)13-11-7-5-4-6-10(9)11/h4-8,13H,1-3H3",ZNRLMGFXSPUZNR-UHFFFAOYSA-N,C12H15N,173.25,173.1204495,2.8,12,227,0,1,1,0,13,"214 °F (NTP, 1992)","491 to 500 °F at 743 mmHg (NTP, 1992)",0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H-1-BENZOPYRAN-2-ONE, 3,4-DIHYDRO-6-METHYL-",000092-47-7,66708,"6-methyl-3,4-dihydrochromen-2-one",CC1=CC2=C(C=C1)OC(=O)CC2,"InChI=1S/C10H10O2/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2,4,6H,3,5H2,1H3",TWAXWQHDMDUHDN-UHFFFAOYSA-N,C10H10O2,162.18,162.0680796,2,26.3,188,0,0,2,0,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, N,N-dimethyl-, hydroc",000897-15-4,9884029,"(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride",CN(C)CC/C=C/1\C2=CC=CC=C2CSC3=CC=CC=C31.Cl,"InChI=1S/C19H21NS.ClH/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19;/h3-6,8-12H,7,13-14H2,1-2H3;1H/b17-11+;",XUPZAARQDNSRJB-SJDTYFKWSA-N,C19H22ClNS,331.9,331.1161486,,28.5,363,0,1,2,3,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, N-methyl-, hydrochloride",844-12-2,6433218,[(3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-methylazanium chloride,C[NH2+]CC/C=C\1/C2=CC=CC=C2CSC3=CC=CC=C31.[Cl-],"InChI=1S/C18H19NS.ClH/c1-19-12-6-10-16-15-8-3-2-7-14(15)13-20-18-11-5-4-9-17(16)18;/h2-5,7-11,19H,6,12-13H2,1H3;1H/b16-10-;",NWQQNDSPQDCEEJ-HYMQDMCPSA-N,C18H20ClNS,317.9,317.1004985,,41.9,338,0,1,2,3,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-HYDROXY-4-(1-METHYLETHYL)-",000499-44-5,3611,"2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one",CC(C)C1=CC(=O)C(=CC=C1)O,"InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)",FUWUEFKEXZQKKA-UHFFFAOYSA-N,C10H12O2,164.2,164.0837296,2.1,37.3,280,0,1,2,1,12,,140.00 °C. @ 10.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"delta(sup 1,alpha)-Phthalanacetic acid, 3-oxo-",4743-57-1,95523,2-(3-oxo-2-benzofuran-1-ylidene)acetic acid,C1=CC=C2C(=C1)C(=CC(=O)O)OC2=O,"InChI=1S/C10H6O4/c11-9(12)5-8-6-3-1-2-4-7(6)10(13)14-8/h1-5H,(H,11,12)",XKMGDVJBAWUUDZ-UHFFFAOYSA-N,C10H6O4,190.15,190.0266087,1.2,63.6,305,0,1,4,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,4-Oxadiazole, 2,5-bis(4-methylphenyl)-",002491-91-0,17227,"2,5-bis(4-methylphenyl)-1,3,4-oxadiazole",CC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)C,"InChI=1S/C16H14N2O/c1-11-3-7-13(8-4-11)15-17-18-16(19-15)14-9-5-12(2)6-10-14/h3-10H,1-2H3",XYCVDMCFWPHYNZ-UHFFFAOYSA-N,C16H14N2O,250.29,250.1106131,3.8,38.9,252,0,0,3,2,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,6-DIAMINO-S-TRIAZIN-2-OL",000645-92-1,135408770,"4,6-diamino-1H-1,3,5-triazin-2-one",C1(=NC(=NC(=O)N1)N)N,"InChI=1S/C3H5N5O/c4-1-6-2(5)8-3(9)7-1/h(H5,4,5,6,7,8,9)",MASBWURJQFFLOO-UHFFFAOYSA-N,C3H5N5O,127.11,127.0494098,-1.8,106,204,0,3,1,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"Benzoic acid, 4-hydroxy-, 2-((4-(1-methylethyl)phenyl)methylene)hydrazide",101574-65-6,739516,4-hydroxy-N-[(4-propan-2-ylphenyl)methylideneamino]benzamide,CC(C)C1=CC=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)O,"InChI=1S/C17H18N2O2/c1-12(2)14-5-3-13(4-6-14)11-18-19-17(21)15-7-9-16(20)10-8-15/h3-12,20H,1-2H3,(H,19,21)",IKPPIUNQWSRCOZ-UHFFFAOYSA-N,C17H18N2O2,282.34,282.1368278,3.3,61.7,352,0,2,3,4,21,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,4-DIOXASPIRO[4.5]DECANE, 2-METHYL-",004722-68-3,20845,"3-methyl-1,4-dioxaspiro[4.5]decane",CC1COC2(O1)CCCCC2,"InChI=1S/C9H16O2/c1-8-7-10-9(11-8)5-3-2-4-6-9/h8H,2-7H2,1H3",LKGNKCNAPNUZCM-UHFFFAOYSA-N,C9H16O2,156.22,156.1150297,1.9,18.5,138,0,0,2,0,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,4-Thiadiazole, 5-amino-3-(methylthio)-",6913-13-9,101456,"3-methylsulfanyl-1,2,4-thiadiazol-5-amine",CSC1=NSC(=N1)N,"InChI=1S/C3H5N3S2/c1-7-3-5-2(4)8-6-3/h1H3,(H2,4,5,6)",HQKQSHMJHHADQB-UHFFFAOYSA-N,C3H5N3S2,147.2,146.9924895,1.3,105,78,0,1,5,1,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrrolo(2,1-b)quinazolin-3-ol, 1,2,3,9-tetrahydro-, monohydrochloride, (R)-",7174-27-8,197084,"(3S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol;hydrochloride",C1CN2CC3=CC=CC=C3N=C2[C@H]1O.Cl,"InChI=1S/C11H12N2O.ClH/c14-10-5-6-13-7-8-3-1-2-4-9(8)12-11(10)13;/h1-4,10,14H,5-7H2;1H/t10-;/m0./s1",CSDQSAHJCAKJPT-PPHPATTJSA-N,C11H13ClN2O,224.68,224.0716407,,35.8,264,0,2,2,0,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"9,10-Ethanoanthracene-9(10H)-propylamine, N-methyl-, hydrochloride",010347-81-6,71478,"N-methyl-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine;hydrochloride",CNCCCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24.Cl,"InChI=1S/C20H23N.ClH/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20;/h2-5,7-10,15,21H,6,11-14H2,1H3;1H",NZDMFGKECODQRY-UHFFFAOYSA-N,C20H24ClN,313.9,313.1597275,,12,339,0,2,1,4,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"CYCLOPENTANONE, 2-PENTYLIDENE-",016424-35-4,86000,2-pentylidenecyclopentan-1-one,CCCCC=C1CCCC1=O,"InChI=1S/C10H16O/c1-2-3-4-6-9-7-5-8-10(9)11/h6H,2-5,7-8H2,1H3",YZKUNNFZLUCEET-UHFFFAOYSA-N,C10H16O,152.23,152.1201151,2.7,17.1,168,0,0,1,3,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Eburnamenine-14-carboxylic acid, methyl ester, (3-alpha,16-alpha)-",4880-92-6,71204,"methyl (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate",CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4C(=C2)C(=O)OC,"InChI=1S/C21H24N2O2/c1-3-21-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(18(15)19(21)22)17(13-21)20(24)25-2/h4-5,7-8,13,19H,3,6,9-12H2,1-2H3/t19-,21+/m1/s1",OZDNDGXASTWERN-CTNGQTDRSA-N,C21H24N2O2,336.4,336.183778,3.8,34.5,603,0,0,3,3,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Sparteine, (-)-",90-39-1,644020,"(1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane",C1CCN2C[C@@H]3C[C@H]([C@H]2C1)CN4[C@H]3CCCC4,"InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14-,15+/m0/s1",SLRCCWJSBJZJBV-ZQDZILKHSA-N,C15H26N2,234.38,234.2095988,2.5,6.5,263,0,0,2,0,17,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 3-amino-4-(cyclohexylamino)-, ethyl ester",347174-05-4,4068248,ethyl 3-amino-4-(cyclohexylamino)benzoate,CCOC(=O)C1=CC(=C(C=C1)NC2CCCCC2)N,"InChI=1S/C15H22N2O2/c1-2-19-15(18)11-8-9-14(13(16)10-11)17-12-6-4-3-5-7-12/h8-10,12,17H,2-7,16H2,1H3",UJHBVMHOBZBWMX-UHFFFAOYSA-N,C15H22N2O2,262.35,262.1681279,3.3,64.4,290,0,2,4,5,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3(2H)-Pyridazinone, 4,5-dihydro-6-(p-aminophenyl)-5-methyl-",,161928,"3-(4-aminophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one",CC1CC(=O)NN=C1C2=CC=C(C=C2)N,"InChI=1S/C11H13N3O/c1-7-6-10(15)13-14-11(7)8-2-4-9(12)5-3-8/h2-5,7H,6,12H2,1H3,(H,13,15)",GDMRFHZLKNYRRO-UHFFFAOYSA-N,C11H13N3O,203.24,203.105862,0.8,67.5,280,0,2,3,1,15,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"s-Triazine, 2,4-diamino-6-(2,5-dichlorophenyl)-, maleate",084504-69-8,5282435,"(Z)-but-2-enedioic acid;6-(2,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine",C1=CC(=C(C=C1Cl)C2=NC(=NC(=N2)N)N)Cl.C(=C\C(=O)O)\C(=O)O,"InChI=1S/C9H7Cl2N5.C4H4O4/c10-4-1-2-6(11)5(3-4)7-14-8(12)16-9(13)15-7;5-3(6)1-2-4(7)8/h1-3H,(H4,12,13,14,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1-",PJLVTVAIERNDEQ-BTJKTKAUSA-N,C13H11Cl2N5O4,372.16,371.0188092,,165,351,0,4,9,3,24,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
RUTIN,000153-18-4,5280805,"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(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]oxychromen-4-one",C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",IKGXIBQEEMLURG-NVPNHPEKSA-N,C27H30O16,610.5,610.1533849,-1.3,266,1020,0,10,16,6,43,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4-Imidazolidinedione, 5-(4-fluorophenyl)-5-phenyl-",70028-83-0,155357,"5-(4-fluorophenyl)-5-phenylimidazolidine-2,4-dione",C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=C(C=C3)F,"InChI=1S/C15H11FN2O2/c16-12-8-6-11(7-9-12)15(10-4-2-1-3-5-10)13(19)17-14(20)18-15/h1-9H,(H2,17,18,19,20)",JTNOMKRGDRAHGJ-UHFFFAOYSA-N,C15H11FN2O2,270.26,270.0804558,2.6,58.2,401,0,2,3,2,20,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
Kolantyl,50815-09-3,3042,2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate,CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2,"InChI=1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3",CURUTKGFNZGFSE-UHFFFAOYSA-N,C19H35NO2,309.5,309.2667794,5.5,29.5,326,0,0,3,8,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"N-HYDROXY-5-NORBORNENE-2,3-DICARBOXIMIDE",021715-90-2,89529,"4-hydroxy-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione",C1C2C=CC1C3C2C(=O)N(C3=O)O,"InChI=1S/C9H9NO3/c11-8-6-4-1-2-5(3-4)7(6)9(12)10(8)13/h1-2,4-7,13H,3H2",ZUSSTQCWRDLYJA-UHFFFAOYSA-N,C9H9NO3,179.17,179.0582431,-0.2,57.6,306,0,1,3,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PHENOSAFRANIN,000081-93-6,65732,"10-phenylphenazin-10-ium-2,8-diamine chloride",C1=CC=C(C=C1)[N+]2=C3C=C(C=CC3=NC4=C2C=C(C=C4)N)N.[Cl-],"InChI=1S/C18H14N4.ClH/c19-12-6-8-15-17(10-12)22(14-4-2-1-3-5-14)18-11-13(20)7-9-16(18)21-15;/h1-11H,(H3,19,20);1H",SOUHUMACVWVDME-UHFFFAOYSA-N,C18H15ClN4,322.8,322.0985242,,68.8,355,0,2,4,1,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Quinoxaline, 2-methyl-, 1,4-dioxide",6639-86-7,81144,3-methyl-4-oxidoquinoxalin-1-ium 1-oxide,CC1=C[N+](=O)C2=CC=CC=C2N1[O-],"InChI=1S/C9H8N2O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3",PZUHHXFIMAEXGO-UHFFFAOYSA-N,C9H8N2O2,176.17,176.0585775,0.3,46.4,262,0,0,3,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CUPROINE,000119-91-5,8412,2-quinolin-2-ylquinoline,C1=CC=C2C(=C1)C=CC(=N2)C3=NC4=CC=CC=C4C=C3,InChI=1S/C18H12N2/c1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18/h1-12H,WPTCSQBWLUUYDV-UHFFFAOYSA-N,C18H12N2,256.3,256.1000484,4.3,25.8,297,0,0,2,1,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PHENAZINE ETHOSULFATE,010510-77-7,82688,5-ethylphenazin-5-ium;ethyl sulfate,CC[N+]1=C2C=CC=CC2=NC3=CC=CC=C31.CCOS(=O)(=O)[O-],"InChI=1S/C14H13N2.C2H6O4S/c1-2-16-13-9-5-3-7-11(13)15-12-8-4-6-10-14(12)16;1-2-6-7(3,4)5/h3-10H,2H2,1H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",VDJKJPMLWJWQIH-UHFFFAOYSA-M,C16H18N2O4S,334.4,334.0987282,,91.6,323,0,0,5,2,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DITHRANOL,001143-38-0,2202,"1,8-dihydroxy-10H-anthracen-9-one",C1C2=C(C(=CC=C2)O)C(=O)C3=C1C=CC=C3O,"InChI=1S/C14H10O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-6,15-16H,7H2",NUZWLKWWNNJHPT-UHFFFAOYSA-N,C14H10O3,226.23,226.0629942,3.2,57.5,287,0,2,3,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIBENZO-18-CROWN-6,014187-32-7,26541,"2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene",C1COC2=CC=CC=C2OCCOCCOC3=CC=CC=C3OCCO1,"InChI=1S/C20H24O6/c1-2-6-18-17(5-1)23-13-9-21-11-15-25-19-7-3-4-8-20(19)26-16-12-22-10-14-24-18/h1-8H,9-16H2",YSSSPARMOAYJTE-UHFFFAOYSA-N,C20H24O6,360.4,360.1572885,2.2,55.4,300,0,0,6,0,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
RESORUFIN,000635-78-9,69462,7-hydroxyphenoxazin-3-one,C1=CC2=C(C=C1O)OC3=CC(=O)C=CC3=N2,"InChI=1S/C12H7NO3/c14-7-1-3-9-11(5-7)16-12-6-8(15)2-4-10(12)13-9/h1-6,14H",HSSLDCABUXLXKM-UHFFFAOYSA-N,C12H7NO3,213.19,213.0425931,1.1,58.9,422,0,1,4,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE DISODIUM,102029-93-6,133112706,"disodium;[[5-(3-acetyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate",CC(=O)C1=CN(C=CC1)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O.[Na+].[Na+],"InChI=1S/C22H30N6O14P2.2Na/c1-10(29)11-3-2-4-27(5-11)21-17(32)15(30)12(40-21)6-38-43(34,35)42-44(36,37)39-7-13-16(31)18(33)22(41-13)28-9-26-14-19(23)24-8-25-20(14)28;;/h2,4-5,8-9,12-13,15-18,21-22,30-33H,3,6-7H2,1H3,(H,34,35)(H,36,37)(H2,23,24,25);;/q;2*+1/p-2",MVUPSUBZLWXBQB-UHFFFAOYSA-L,C22H28N6Na2O14P2,708.4,708.0934122,,297,1210,0,5,19,11,46,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DIHYDRONICOTINAMIDE-ADENINE DINUCLEOTIDE PHOSPHATE, TETRASODIUM SALT",002646-71-1,52945042,"tetrasodium;[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate",C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)([O-])[O-])O)O)O.[Na+].[Na+].[Na+].[Na+],"InChI=1S/C21H30N7O17P3.4Na/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32;;;;/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35);;;;/q;4*+1/p-4/t10-,11-,13-,14-,15-,16-,20-,21-;;;;/m1..../s1",WYWWVJHQDVCHKF-ITGWJZMWSA-J,C21H26N7Na4O17P3,833.3,833.0188805,,375,1380,0,5,22,12,52,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DEQUALINIUM CHLORIDE,000522-51-0,10649,1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine dichloride,CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N)C.[Cl-].[Cl-],"InChI=1S/C30H38N4.2ClH/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34;;/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3;2*1H",LTNZEXKYNRNOGT-UHFFFAOYSA-N,C30H40Cl2N4,527.6,526.2630027,,59.8,532,0,2,4,11,36,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TRIS[4,4'-BIS(T-BUTYL)-2,2'-BIPYRIDINE]RUTHENIUM(II) HEXAFLUOROPHOSPHATE",075777-87-6,12971076,tris(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate,CC(C)(C)C1=CC(=NC=C1)C2=NC=CC(=C2)C(C)(C)C.CC(C)(C)C1=CC(=NC=C1)C2=NC=CC(=C2)C(C)(C)C.CC(C)(C)C1=CC(=NC=C1)C2=NC=CC(=C2)C(C)(C)C.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2],"InChI=1S/3C18H24N2.2F6P.Ru/c3*1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;2*1-7(2,3,4,5)6;/h3*7-12H,1-6H3;;;/q;;;2*-1;+2",FTRGLDHRYZPEQS-UHFFFAOYSA-N,C54H72F12N6P2Ru,1196.2,1196.414549,,77.3,341,0,0,20,9,75,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Succinanilic acid, 4'-(2-thiazolylsulfamoyl)-",116-43-8,5315,"4-oxo-4-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]butanoic acid",C1=CC(=CC=C1NC(=O)CCC(=O)O)S(=O)(=O)NC2=NC=CS2,"InChI=1S/C13H13N3O5S2/c17-11(5-6-12(18)19)15-9-1-3-10(4-2-9)23(20,21)16-13-14-7-8-22-13/h1-4,7-8H,5-6H2,(H,14,16)(H,15,17)(H,18,19)",SKVLYVHULOWXTD-UHFFFAOYSA-N,C13H13N3O5S2,355.4,355.0296629,-0.7,162,526,0,3,8,7,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-Pyrimidinamine, 4-methyl-N-phenyl-6-(1-propynyl)-",110235-47-7,86296,4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine,CC#CC1=NC(=NC(=C1)C)NC2=CC=CC=C2,"InChI=1S/C14H13N3/c1-3-7-13-10-11(2)15-14(17-13)16-12-8-5-4-6-9-12/h4-6,8-10H,1-2H3,(H,15,16,17)",CIFWZNRJIBNXRE-UHFFFAOYSA-N,C14H13N3,223.27,223.1109474,3.3,37.8,295,0,1,3,3,17,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-AMINO-5-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL",022706-11-2,737082,"4-amino-3-phenyl-1H-1,2,4-triazole-5-thione",C1=CC=C(C=C1)C2=NNC(=S)N2N,"InChI=1S/C8H8N4S/c9-12-7(10-11-8(12)13)6-4-2-1-3-5-6/h1-5H,9H2,(H,11,13)",OKNHZPGPLNUEPC-UHFFFAOYSA-N,C8H8N4S,192.24,192.0469675,0.9,85.7,245,0,2,3,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4H-1,2,4-Triazole-3-thiol, 4-methyl-5-phenyl-",38942-51-7,719799,"4-methyl-3-phenyl-1H-1,2,4-triazole-5-thione",CN1C(=NNC1=S)C2=CC=CC=C2,"InChI=1S/C9H9N3S/c1-12-8(10-11-9(12)13)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,13)",XGLHJEZLNGXEAZ-UHFFFAOYSA-N,C9H9N3S,191.26,191.0517185,1.6,59.7,243,0,1,2,1,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"L-Glutamic acid, N-(4-(2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo(2,3-d)pyrimidin-5-yl)ethyl)benzoyl)-",137281-23-3,135410875,"(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid",C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O,"InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1",WBXPDJSOTKVWSJ-ZDUSSCGKSA-N,C20H21N5O6,427.4,427.1491834,0.2,187,748,0,6,7,9,31,,,0,0,0,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,0,0
"L-Glutamic acid, N-(4-(2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo(2,3-d)pyrimidin-5-yl)ethyl)benzoyl)-, disodium salt",150399-23-8,135413520,"disodium;(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate",C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].[Na+].[Na+],"InChI=1S/C20H21N5O6.2Na/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27;;/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29);;/q;2*+1/p-2/t13-;;/m0../s1",NYDXNILOWQXUOF-GXKRWWSZSA-L,C20H19N5Na2O6,471.4,471.1130719,,193,737,0,4,7,7,33,,,0,0,0,0,0,0,0,1,0,0,1,0,0,1,0,0,1,0,1,1
"Benzoxazole, 5-chloro-2-mercapto-",22876-19-3,708870,"5-chloro-3H-1,3-benzoxazole-2-thione",C1=CC2=C(C=C1Cl)NC(=S)O2,"InChI=1S/C7H4ClNOS/c8-4-1-2-6-5(3-4)9-7(11)10-6/h1-3H,(H,9,11)",BOBIZYYFYLLRAH-UHFFFAOYSA-N,C7H4ClNOS,185.63,184.9702126,2.4,53.4,187,0,1,2,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEACETIC ACID, .ALPHA.-CYCLOPENTYL-",003900-93-4,98014,2-cyclopentyl-2-phenylacetic acid,C1CCC(C1)C(C2=CC=CC=C2)C(=O)O,"InChI=1S/C13H16O2/c14-13(15)12(11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2,(H,14,15)",BCJIDGDYYYBNNB-UHFFFAOYSA-N,C13H16O2,204.26,204.1150297,3.6,37.3,213,0,1,2,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, METHYL-, TITANIUM(4+) SALT",028503-70-0,168817,tetrakis(2-methylphenolate);titanium(4+),CC1=CC=CC=C1[O-].CC1=CC=CC=C1[O-].CC1=CC=CC=C1[O-].CC1=CC=CC=C1[O-].[Ti+4],"InChI=1S/4C7H8O.Ti/c4*1-6-4-2-3-5-7(6)8;/h4*2-5,8H,1H3;/q;;;;+4/p-4",RLMZHOIDXMRYMJ-UHFFFAOYSA-J,C28H28O4Ti,476.4,476.1467,,92.2,70,0,0,4,0,33,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,6-NAPHTHALENETRISULFONIC ACID, 7-[[2-[(AMINOCARBONYL)AMINO]-4-[(4,6-DICHLO",057359-00-9,93645,"trisodium;7-[[2-(carbamoylamino)-4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonate",C1=CC(=C(C=C1NC2=NC(=NC(=N2)Cl)Cl)NC(=O)N)N=NC3=CC4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+],"InChI=1S/C20H14Cl2N8O10S3.3Na/c21-17-26-18(22)28-20(27-17)24-9-1-2-12(13(5-9)25-19(23)31)29-30-14-7-11-8(4-16(14)43(38,39)40)3-10(41(32,33)34)6-15(11)42(35,36)37;;;/h1-7H,(H3,23,25,31)(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,24,26,27,28);;;/q;3*+1/p-3",CMCWJAWGROJDDZ-UHFFFAOYSA-K,C20H11Cl2N8Na3O10S3,759.4,757.8830403,,327,1320,0,3,16,5,46,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,3,6-NAPHTHALENETRISULFONIC ACID, 7-[[2-[(AMINOCARBONYL)AMINO]-4-[(4-AMINO-6-",070161-14-7,94655,"trisodium;7-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-(carbamoylamino)phenyl]diazenyl]naphthalene-1,3,6-trisulfonate",C1=CC(=C(C=C1NC2=NC(=NC(=N2)N)Cl)NC(=O)N)N=NC3=CC4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+],"InChI=1S/C20H16ClN9O10S3.3Na/c21-17-26-18(22)28-20(27-17)24-9-1-2-12(13(5-9)25-19(23)31)29-30-14-7-11-8(4-16(14)43(38,39)40)3-10(41(32,33)34)6-15(11)42(35,36)37;;;/h1-7H,(H3,23,25,31)(H,32,33,34)(H,35,36,37)(H,38,39,40)(H3,22,24,26,27,28);;;/q;3*+1/p-3",DSKGJDYCSBLEMI-UHFFFAOYSA-K,C20H13ClN9Na3O10S3,740,738.9329117,,353,1330,0,4,17,5,46,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
SILYMARIN,065666-07-1,5213,"3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one",COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O,"InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3",SEBFKMXJBCUCAI-UHFFFAOYSA-N,C25H22O10,482.4,482.1212969,2.4,155,750,0,5,10,4,35,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"ACRIDINIUM, 3,6-DIAMINO-10-METHYL-, CHLORIDE",000086-40-8,6842,"10-methylacridin-10-ium-3,6-diamine chloride",C[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N)N.[Cl-],"InChI=1S/C14H13N3.ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;/h2-8H,1H3,(H3,15,16);1H",KKAJSJJFBSOMGS-UHFFFAOYSA-N,C14H14ClN3,259.73,259.0876252,,55.9,255,0,2,3,0,18,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Pyridinesulfonamide, N-(((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)-3-(ethylsulfonyl)-",122931-48-0,91779,"1-(4,6-dimethoxypyrimidin-2-yl)-3-[(3-ethylsulfonyl-2-pyridinyl)sulfonyl]urea",CCS(=O)(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC,"InChI=1S/C14H17N5O7S2/c1-4-27(21,22)9-6-5-7-15-12(9)28(23,24)19-14(20)18-13-16-10(25-2)8-11(17-13)26-3/h5-8H,4H2,1-3H3,(H2,16,17,18,19,20)",MEFOUWRMVYJCQC-UHFFFAOYSA-N,C14H17N5O7S2,431.4,431.0569403,0.7,183,722,0,2,10,7,28,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(((aminocarbonyl)oxy)",055268-75-2,5479529,"(6R,7R)-3-(carbamoyloxymethyl)-7-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",CO/N=C(/C1=CC=CO1)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O,"InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1",JFPVXVDWJQMJEE-IZRZKJBUSA-N,C16H16N4O8S,424.4,424.0688847,-0.2,199,798,0,3,10,8,29,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,1,0
"BENZENESULFONAMIDE, 4-AMINO-N-(5-METHYL-1,3,4-THIADIAZOL-2-YL)-",000144-82-1,5328,"4-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide",CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N,"InChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13)",VACCAVUAMIDAGB-UHFFFAOYSA-N,C9H10N4O2S2,270.3,270.0245179,0.5,135,348,0,2,7,3,17,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2,7-NAPHTHALENEDISULFONIC ACID, 5-[[4-CHLORO-6-(METHYLPHENYLAMINO)-1,3,5-TRIAZ",070210-20-7,160059,"trisodium;5-[[4-chloro-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",CN(C1=CC=CC=C1)C2=NC(=NC(=N2)NC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(C(=C4O)N=NC5=CC=CC=C5S(=O)(=O)[O-])S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+],"InChI=1S/C26H20ClN7O10S3.3Na/c1-34(15-7-3-2-4-8-15)26-30-24(27)29-25(31-26)28-18-13-16(45(36,37)38)11-14-12-20(47(42,43)44)22(23(35)21(14)18)33-32-17-9-5-6-10-19(17)46(39,40)41;;;/h2-13,35H,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,28,29,30,31);;;/q;3*+1/p-3",JGIGXKSJLSQJGQ-UHFFFAOYSA-K,C26H17ClN7Na3O10S3,788.1,786.9580638,,296,1400,0,2,17,6,50,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"CHROMATE(1-), BIS[1-[(2-HYDROXY-5-NITROPHENYL)AZO]-2-NAPHTHALENOLATO(2-)]-, SO",057206-81-2,162159,"sodium;chromium(3+);1-[[3-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]naphthalen-2-one;1-[(5-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate",C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)[N+](=O)[O-])[O-])[O-].C1=CC=C2C(=C1)C=CC(=O)C2=NN=C3C=C(C=CC3=O)N([O-])[O-].[Na+].[Cr+3],"InChI=1S/C16H11N3O4.C16H9N3O4.Cr.Na/c2*20-14-8-6-11(19(22)23)9-13(14)17-18-16-12-4-2-1-3-10(12)5-7-15(16)21;;/h1-9,20-21H;1-9H;;/q;-2;+3;+1/p-2",JJSWXTQVCBTPCX-UHFFFAOYSA-L,C32H18CrN6NaO8,689.5,689.048886,,225,453,0,0,13,3,48,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"CHROMATE(1-), BIS[1-[[5-(1,1-DIMETHYLPROPYL)-2-HYDROXY-3-NITROPHENYL]AZO]-2-NA",057206-83-4,162813,"sodium;chromium(3+);1-[[5-(dioxidoamino)-3-(2-methylbutan-2-yl)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]naphthalen-2-one;1-[[5-(2-methylbutan-2-yl)-3-nitro-2-oxidophenyl]diazenyl]naphthalen-2-olate",CCC(C)(C)C1=CC(=C(C(=C1)[N+](=O)[O-])[O-])N=NC2=C(C=CC3=CC=CC=C32)[O-].CCC(C)(C)C1=CC(=NN=C2C(=O)C=CC3=CC=CC=C32)C(=O)C(=C1)N([O-])[O-].[Na+].[Cr+3],"InChI=1S/C21H21N3O4.C21H19N3O4.Cr.Na/c2*1-4-21(2,3)14-11-16(20(26)17(12-14)24(27)28)22-23-19-15-8-6-5-7-13(15)9-10-18(19)25;;/h5-12,25-26H,4H2,1-3H3;5-12H,4H2,1-3H3;;/q;-2;+3;+1/p-2",MYZIXIHNWLZNCA-UHFFFAOYSA-L,C42H38CrN6NaO8,829.8,829.205386,,225,576,0,0,13,7,58,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"Acetic acid, ((1,2-dihydro-5,6,17,19,21-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-2,7-(epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-9-yl)-oxy)-, 21-acetate",13929-35-6,5459948,"2-[[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-13-acetyloxy-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-27-yl]oxy]acetic acid",C[C@H]1/C=C/C=C(\C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)OCC(=O)O)/C,"InChI=1S/C39H49NO14/c1-17-11-10-12-18(2)38(49)40-24-15-26(51-16-27(42)43)28-29(34(24)47)33(46)22(6)36-30(28)37(48)39(8,54-36)52-14-13-25(50-9)19(3)35(53-23(7)41)21(5)32(45)20(4)31(17)44/h10-15,17,19-21,25,31-32,35,44-47H,16H2,1-9H3,(H,40,49)(H,42,43)/b11-10+,14-13+,18-12-/t17-,19+,20+,21+,25-,31-,32+,35+,39-/m0/s1",SQTCRTQCPJICLD-KTQDUKAHSA-N,C39H49NO14,755.8,755.3153052,4.8,228,1460,0,6,14,6,54,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Acetamide, 2-((1,2-dihydro-5,6,17,19,21-pentahydroxy-23-methoxy-2,4,12,16,18,2",002750-76-7,6433345,"[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-27-[2-(diethylamino)-2-oxoethoxy]-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate",CCN(CC)C(=O)COC1=C2C3=C(C(=C1)NC(=O)/C(=C\C=C\[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H](/C=C/O[C@@]4(C(=O)C2=C(O4)C(=C3O)C)C)OC)C)OC(=O)C)C)O)C)O)C)/C)O,"InChI=1S/C43H58N2O13/c1-12-45(13-2)31(47)20-55-30-19-28-38(51)33-32(30)34-40(26(8)37(33)50)58-43(10,41(34)52)56-18-17-29(54-11)23(5)39(57-27(9)46)25(7)36(49)24(6)35(48)21(3)15-14-16-22(4)42(53)44-28/h14-19,21,23-25,29,35-36,39,48-51H,12-13,20H2,1-11H3,(H,44,53)/b15-14+,18-17+,22-16-/t21-,23+,24+,25+,29-,35-,36+,39+,43-/m0/s1",VFYNXKZVOUXHDX-VDPUEHCXSA-N,C43H58N2O13,810.9,810.3938899,5.5,211,1550,0,5,13,8,58,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
AMPROLIN,000121-25-5,73341,5-[(2-methylpyridin-1-ium-1-yl)methyl]-2-propylpyrimidin-4-amine chloride,CCCC1=NC=C(C(=N1)N)C[N+]2=CC=CC=C2C.[Cl-],"InChI=1S/C14H19N4.ClH/c1-3-6-13-16-9-12(14(15)17-13)10-18-8-5-4-7-11(18)2;/h4-5,7-9H,3,6,10H2,1-2H3,(H2,15,16,17);1H/q+1;/p-1",LCTXBFGHZLGBNU-UHFFFAOYSA-M,C14H19ClN4,278.78,278.1298243,,55.7,246,0,1,4,4,19,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"Benzenaminium, N,N,N-trimethyl-4-((Z)-(4,7,7-trimethyl-3-oxobicyclo(2.2.1)hept-2-ylidene)methyl)-, methanesulfonate (1:1)",52793-97-2,6434451,"methanesulfonate;trimethyl-[4-[(Z)-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)methyl]phenyl]azanium",CC1(C\2CCC1(C(=O)/C2=C\C3=CC=C(C=C3)[N+](C)(C)C)C)C.CS(=O)(=O)[O-],"InChI=1S/C20H28NO.CH4O3S/c1-19(2)17-11-12-20(19,3)18(22)16(17)13-14-7-9-15(10-8-14)21(4,5)6;1-5(2,3)4/h7-10,13,17H,11-12H2,1-6H3;1H3,(H,2,3,4)/q+1;/p-1/b16-13-;",BPDGKTMMBDRVHQ-UNVLYCKESA-M,C21H31NO4S,393.5,393.1973796,,82.7,582,0,0,4,2,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"4(1H)-QUINAZOLINONE, 2-(2-HYDROXYPHENYL)-",001026-04-6,135458774,2-(2-hydroxyphenyl)-3H-quinazolin-4-one,C1=CC=C2C(=C1)C(=O)NC(=N2)C3=CC=CC=C3O,"InChI=1S/C14H10N2O2/c17-12-8-4-2-6-10(12)13-15-11-7-3-1-5-9(11)14(18)16-13/h1-8,17H,(H,15,16,18)",OVVWPYNVWLHEGE-UHFFFAOYSA-N,C14H10N2O2,238.24,238.0742276,2,61.7,367,0,2,3,1,18,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, ((2-(diethylamino)ethyl)thio)-, 6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3-alpha,9-propano-3-alpha-H-cyclopentacycloocten-8-yl ester, (E)-2-butenedioate (1:1) (salt)",55297-96-6,23725049,"(E)-but-2-enedioic acid;[(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[2-(diethylamino)ethylsulfanyl]acetate",CCN(CC)CCSCC(=O)O[C@@H]1C[C@@]([C@H]([C@@H]([C@@]23CC[C@H]([C@@]1([C@@H]2C(=O)CC3)C)C)C)O)(C)C=C.C(=C/C(=O)O)\C(=O)O,"InChI=1S/C28H47NO4S.C4H4O4/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28;5-3(6)1-2-4(7)8/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t19-,20+,22-,24+,25+,26-,27+,28+;/m1./s1",YXQXDXAHCSEVSD-GCYNEOGWSA-N,C32H51NO8S,609.8,609.3335388,,167,888,0,3,10,12,42,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3H-Pyrido(3,4-b)indole, 4,9-dihydro-7-methoxy-1-methyl-, monohydrochloride",363-11-1,196973,"7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole;hydrochloride",CC1=NCCC2=C1NC3=C2C=CC(=C3)OC.Cl,"InChI=1S/C13H14N2O.ClH/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13;/h3-4,7,15H,5-6H2,1-2H3;1H",PULNGKOFHCQQQA-UHFFFAOYSA-N,C13H15ClN2O,250.72,250.0872908,,37.4,302,0,2,2,1,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-beta-Bufa-20,22-dienolide, 14,15-beta-epoxy-3-beta,5,16-beta-trihydroxy-, 16-acetate",1108-68-5,259776,"[(1R,2S,4R,5R,6R,7R,10S,11R,14S,16S)-14,16-dihydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] acetate",CC(=O)O[C@@H]1[C@@H]([C@]2(CC[C@H]3[C@H]([C@@]24[C@@H]1O4)CC[C@]5([C@@]3(CC[C@@H](C5)O)C)O)C)C6=COC(=O)C=C6,"InChI=1S/C26H34O7/c1-14(27)32-21-20(15-4-5-19(29)31-13-15)24(3)10-7-17-18(26(24)22(21)33-26)8-11-25(30)12-16(28)6-9-23(17,25)2/h4-5,13,16-18,20-22,28,30H,6-12H2,1-3H3/t16-,17-,18+,20-,21+,22+,23+,24+,25-,26+/m0/s1",KBKUJJFDSHBPPA-ZNCGZLKOSA-N,C26H34O7,458.5,458.2304534,2.1,106,972,0,2,7,3,33,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Morphinan-6-one, 7,8-didehydro-4,5-epoxy-3-hydroxy-17-methyl-, (5-alpha)-",467-02-7,5459823,"(4R,4aR,7aR,12bS)-9-hydroxy-3-methyl-1,2,4,4a,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one",CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3C(=O)C=C4,"InChI=1S/C17H17NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,16,19H,6-8H2,1H3/t10-,11+,16-,17-/m0/s1",PFBSOANQDDTNGJ-YNHQPCIGSA-N,C17H17NO3,283.32,283.1208434,1.9,49.8,532,0,1,4,0,21,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"Morphinan-6-one, 7,8-didehydro-4,5-alpha-epoxy-3-methoxy-17-methyl-",467-13-0,5459910,"(4R,4aR,7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one",CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3C(=O)C=C4,"InChI=1S/C18H19NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-12,17H,7-9H2,1-2H3/t11-,12+,17-,18-/m0/s1",XYYVYLMBEZUESM-CMKMFDCUSA-N,C18H19NO3,297.3,297.1364935,2.2,38.8,546,0,0,4,1,22,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Codeinone, 14-hydroxy-",508-54-3,9926820,"(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one",CN1CC[C@]23[C@@H]4C(=O)C=C[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O,"InChI=1S/C18H19NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-6,13,16,21H,7-9H2,1-2H3/t13-,16+,17+,18-/m1/s1",YYCRAERBSFHMPL-XFKAJCMBSA-N,C18H19NO4,313.3,313.1314081,1.1,59,592,0,1,5,1,23,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4-Pentadienophenone, 5-phenyl-",614-57-3,95327,"1,5-diphenylpenta-2,4-dien-1-one",C1=CC=C(C=C1)C=CC=CC(=O)C2=CC=CC=C2,InChI=1S/C17H14O/c18-17(16-12-5-2-6-13-16)14-8-7-11-15-9-3-1-4-10-15/h1-14H,QONKLJMPKWQQFG-UHFFFAOYSA-N,C17H14O,234.29,234.1044651,3.7,17.1,302,0,0,1,4,18,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4-Pentadien-1-one, 1,5-diphenyl-, (E)-",132794-05-9,1549519,"(2E,4E)-1,5-diphenylpenta-2,4-dien-1-one",C1=CC=C(C=C1)/C=C/C=C/C(=O)C2=CC=CC=C2,"InChI=1S/C17H14O/c18-17(16-12-5-2-6-13-16)14-8-7-11-15-9-3-1-4-10-15/h1-14H/b11-7+,14-8+",QONKLJMPKWQQFG-HPIZBCMHSA-N,C17H14O,234.29,234.1044651,3.7,17.1,302,0,0,1,4,18,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4-Pentadienophenone, 4'-bromo-5-phenyl-",,1550661,"(2E,4E)-1-(4-bromophenyl)-5-phenylpenta-2,4-dien-1-one",C1=CC=C(C=C1)/C=C/C=C/C(=O)C2=CC=C(C=C2)Br,"InChI=1S/C17H13BrO/c18-16-12-10-15(11-13-16)17(19)9-5-4-8-14-6-2-1-3-7-14/h1-13H/b8-4+,9-5+",WCJMWFPTUMNNOI-KBXRYBNXSA-N,C17H13BrO,313.2,312.01498,5,17.1,331,0,0,1,4,19,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyrazole-5-carboxylic acid, 3-phenyl-",1134-49-2,121025,3-phenyl-1H-pyrazole-5-carboxylic acid,C1=CC=C(C=C1)C2=NNC(=C2)C(=O)O,"InChI=1S/C10H8N2O2/c13-10(14)9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)",QBPUOAJBMXXBNU-UHFFFAOYSA-N,C10H8N2O2,188.18,188.0585775,1.7,66,214,0,2,3,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, (2-chloro-5-(4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl)-4-fluorophenoxy)-, ethyl ester",129630-19-9,182951,ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate,CCOC(=O)COC1=C(C=C(C(=C1)C2=NN(C(=C2Cl)OC(F)F)C)F)Cl,"InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3",APTZNLHMIGJTEW-UHFFFAOYSA-N,C15H13Cl2F3N2O4,413.2,412.0204468,4.8,62.6,480,0,0,8,8,26,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Pyrrolidinone, 4-phenyl-",1198-97-6,121397,4-phenylpyrrolidin-2-one,C1C(CNC1=O)C2=CC=CC=C2,"InChI=1S/C10H11NO/c12-10-6-9(7-11-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)",HOJZEMQCQRPLQQ-UHFFFAOYSA-N,C10H11NO,161.2,161.084064,1,29.1,173,0,1,1,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Pyrrolidinone, 4-(4-chlorophenyl)-",22518-27-0,185490,4-(4-chlorophenyl)pyrrolidin-2-one,C1C(CNC1=O)C2=CC=C(C=C2)Cl,"InChI=1S/C10H10ClNO/c11-9-3-1-7(2-4-9)8-5-10(13)12-6-8/h1-4,8H,5-6H2,(H,12,13)",OVRPDYOZYMCTAK-UHFFFAOYSA-N,C10H10ClNO,195.64,195.0450916,1.6,29.1,199,0,1,1,1,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,1,1,0,1,1,0,1
"1-Pyrrolidineacetamide, 2-oxo-4-phenyl-",77472-70-9,132441,2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide,C1C(CN(C1=O)CC(=O)N)C2=CC=CC=C2,"InChI=1S/C12H14N2O2/c13-11(15)8-14-7-10(6-12(14)16)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,13,15)",LYONXVJRBWWGQO-UHFFFAOYSA-N,C12H14N2O2,218.25,218.1055277,0.1,63.4,285,0,1,2,3,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5H-Dibenzo(a,d)cyclohepten-5-propylamine, N-methyl-, hydrochloride",1225-55-4,6603149,"N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)propan-1-amine;hydrochloride",CNCCCC1C2=CC=CC=C2C=CC3=CC=CC=C13.Cl,"InChI=1S/C19H21N.ClH/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19;/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3;1H",OGQDIIKRQRZXJH-UHFFFAOYSA-N,C19H22ClN,299.8,299.1440774,,12,296,0,2,1,4,21,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"19-Nor-9-beta,10-alpha-lanosta-5,23-diene-3,11,22-trione, 2-beta,16-alpha,20,25-tetrahydroxy-9-methyl-, 25-acetate",6199-67-3,5281316,"[(E,6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate",CC(=O)OC(C)(C)/C=C/C(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H](C(=O)C4(C)C)O)C)C)C)O)O,"InChI=1S/C32H46O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-13,19-22,25,34-35,39H,11,14-16H2,1-9H3/b13-12+/t19-,20+,21-,22+,25+,29+,30-,31+,32+/m1/s1",IXQKXEUSCPEQRD-DKRGWESNSA-N,C32H46O8,558.7,558.3192684,2.6,138,1210,0,3,8,6,40,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"(1,3)-Benzodioxolo(5,6-c)phenanthridinium, 2,3-dimethoxy-12-methyl-, chloride",13063-04-2,25659,"2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium chloride",C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC.[Cl-],"InChI=1S/C21H18NO4.ClH/c1-22-10-13-7-17(23-2)18(24-3)8-15(13)14-5-4-12-6-19-20(26-11-25-19)9-16(12)21(14)22;/h4-10H,11H2,1-3H3;1H/q+1;/p-1",QLDAACVSUMUMOR-UHFFFAOYSA-M,C21H18ClNO4,383.8,383.0924357,,40.8,516,0,0,5,2,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5H-Pyrido(4,3-b)indole-8-carboxylic acid, 1,2,3,4-tetrahydro-2-methyl-, hydrochloride",40431-45-6,218281,"2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid;hydrochloride",CN1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)O.Cl,"InChI=1S/C13H14N2O2.ClH/c1-15-5-4-12-10(7-15)9-6-8(13(16)17)2-3-11(9)14-12;/h2-3,6,14H,4-5,7H2,1H3,(H,16,17);1H",ULUFFFPURQWXJJ-UHFFFAOYSA-N,C13H15ClN2O2,266.72,266.0822054,,56.3,321,0,3,3,1,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"alpha-D-Glucopyranoside, (3-beta,12-beta)-3-((2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-12-hydroxydammar-24-en-20-yl 6-O-beta-D-xylopyranosyl-",68406-26-8,12912363,"(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,5R)-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",CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O)O)O)C,"InChI=1S/C53H90O22/c1-23(2)10-9-14-53(8,75-47-43(67)39(63)37(61)29(72-47)22-69-45-41(65)34(58)26(57)21-68-45)24-11-16-52(7)33(24)25(56)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)36(60)28(20-55)71-48)74-46-42(66)38(62)35(59)27(19-54)70-46/h10,24-48,54-67H,9,11-22H2,1-8H3/t24-,25+,26+,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,50-,51+,52+,53-/m0/s1",NODILNFGTFIURN-USYOXQFSSA-N,C53H90O22,1079.3,1078.592374,0.3,357,1950,0,14,22,15,75,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Lanatoside B,17575-21-2,72604,"[(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-6-[(2R,3S,4S,6R)-6-[[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14,16-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-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-2-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl] acetate",C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(C[C@@H]([C@@H]5C6=CC(=O)OC6)O)O)C)C)O)O[C@H]7C[C@@H]([C@@H]([C@H](O7)C)O[C@H]8C[C@@H]([C@@H]([C@H](O8)C)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)OC(=O)C)O,"InChI=1S/C49H76O20/c1-21-43(67-37-16-31(53)44(22(2)62-37)68-38-17-33(64-24(4)51)45(23(3)63-38)69-46-42(58)41(57)40(56)34(19-50)66-46)30(52)15-36(61-21)65-27-9-11-47(5)26(14-27)7-8-29-28(47)10-12-48(6)39(25-13-35(55)60-20-25)32(54)18-49(29,48)59/h13,21-23,26-34,36-46,50,52-54,56-59H,7-12,14-20H2,1-6H3/t21-,22-,23-,26-,27+,28+,29-,30+,31+,32+,33+,34-,36+,37+,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48-,49+/m1/s1",XVAPNQFQPDAROQ-CAPSWCROSA-N,C49H76O20,985.1,984.4929948,0.5,288,1870,0,8,20,12,69,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranuronosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-",29741-09-1,5319484,"(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid",C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O,"InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1",JBFOLLJCGUCDQP-ZFORQUDYSA-N,C21H18O11,446.4,446.0849114,0.2,183,746,0,6,11,4,32,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-5,6-dihydroxy-2-phenyl-",57396-78-8,5320313,"5,6-dihydroxy-2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one",C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O,"InChI=1S/C21H20O10/c22-8-14-17(25)19(27)20(28)21(31-14)30-13-7-12-15(18(26)16(13)24)10(23)6-11(29-12)9-4-2-1-3-5-9/h1-7,14,17,19-22,24-28H,8H2/t14-,17-,19+,20-,21-/m1/s1",IPQKDIRUZHOIOM-IAAKTDFRSA-N,C21H20O10,432.4,432.1056468,0.9,166,677,0,6,10,4,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"s-Triazolo(3,4-a)isoquinoline, 3-(trifluoromethyl)-",27022-50-0,198063,"3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]isoquinoline",C1=CC=C2C(=C1)C=CN3C2=NN=C3C(F)(F)F,"InChI=1S/C11H6F3N3/c12-11(13,14)10-16-15-9-8-4-2-1-3-7(8)5-6-17(9)10/h1-6H",VCCLTMGHQTUHGC-UHFFFAOYSA-N,C11H6F3N3,237.18,237.0513817,3.3,30.2,294,0,0,5,0,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, (2-benzothiazolylthio)-, (phenylmethylene)hydrazide",73718-47-5,5334879,"2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-benzylideneamino]acetamide",C1=CC=C(C=C1)/C=N/NC(=O)CSC2=NC3=CC=CC=C3S2,"InChI=1S/C16H13N3OS2/c20-15(19-17-10-12-6-2-1-3-7-12)11-21-16-18-13-8-4-5-9-14(13)22-16/h1-10H,11H2,(H,19,20)/b17-10+",SSMRCFLCGZRUDT-LICLKQGHSA-N,C16H13N3OS2,327.4,327.0500044,4.2,108,399,0,1,5,5,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, (2-benzothiazolylthio)-, ((5-bromo-2-hydroxyphenyl)methylene)hydrazide, hydrate",94768-92-0,135580653,"2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide;hydrate",C1=CC=C2C(=C1)N=C(S2)SCC(=O)N/N=C/C3=C(C=CC(=C3)Br)O.O,"InChI=1S/C16H12BrN3O2S2.H2O/c17-11-5-6-13(21)10(7-11)8-18-20-15(22)9-23-16-19-12-3-1-2-4-14(12)24-16;/h1-8,21H,9H2,(H,20,22);1H2/b18-8+;",CWNNLTMMQAKAJZ-JUIXXEQESA-N,C16H14BrN3O3S2,440.3,438.966,,129,469,0,3,7,5,25,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Piperidinemethanol, alpha-phenyl-1-(2-phenylethyl)-",107703-78-6,71781,phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol,C1CN(CCC1C(C2=CC=CC=C2)O)CCC3=CC=CC=C3,"InChI=1S/C20H25NO/c22-20(18-9-5-2-6-10-18)19-12-15-21(16-13-19)14-11-17-7-3-1-4-8-17/h1-10,19-20,22H,11-16H2",AXNGJCOYCMDPQG-UHFFFAOYSA-N,C20H25NO,295.4,295.1936144,3.8,23.5,299,0,1,2,5,22,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Pyrrole-3-carboxamide, N-(2-(diethylamino)ethyl)-5-((Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4-dimethyl-, (2S)-hydroxybutanedioate (1:1)",341031-54-7,6456015,"N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-2-hydroxybutanedioic acid",CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C.C([C@@H](C(=O)O)O)C(=O)O,"InChI=1S/C22H27FN4O2.C4H6O5/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28;5-2(4(8)9)1-3(6)7/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28);2,5H,1H2,(H,6,7)(H,8,9)/b17-12-;/t;2-/m.0/s1",LBWFXVZLPYTWQI-IPOVEDGCSA-N,C26H33FN4O7,532.6,532.2333276,,172,765,0,6,9,10,38,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"BENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)-, 8-METHYL-8-AZABICYCLO[3.2.1]OCT-",000620-61-1,11479437,"bis([(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate);sulfuric acid",CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)[C@H](CO)C3=CC=CC=C3.CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)[C@H](CO)C3=CC=CC=C3.OS(=O)(=O)O,"InChI=1S/2C17H23NO3.H2O4S/c2*1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4/h2*2-6,13-16,19H,7-11H2,1H3;(H2,1,2,3,4)/t2*13-,14+,15?,16-;/m11./s1",HOBWAPHTEJGALG-LFQBMQRVSA-N,C34H48N2O10S,676.8,676.3029669,,183,434,0,4,12,10,47,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ZINCON, MONOSODIUM SALT",062625-22-3,135472945,sodium 3-[(2E)-2-[[(2-carboxyphenyl)diazenyl]-phenylmethylidene]hydrazinyl]-4-hydroxybenzenesulfonate,C1=CC=C(C=C1)/C(=N\NC2=C(C=CC(=C2)S(=O)(=O)[O-])O)/N=NC3=CC=CC=C3C(=O)O.[Na+],"InChI=1S/C20H16N4O6S.Na/c25-18-11-10-14(31(28,29)30)12-17(18)22-24-19(13-6-2-1-3-7-13)23-21-16-9-5-4-8-15(16)20(26)27;/h1-12,22,25H,(H,26,27)(H,28,29,30);/q;+1/p-1/b23-21?,24-19+;",XBGLXASXFRESIN-JGXOCYJHSA-M,C20H15N4NaO6S,462.4,462.0609997,,172,781,0,3,9,7,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"21H,23H-PORPHINE-2,7,12,18-TETRAPROPANOIC ACID, 3,8,13,17-TETRAMETHYL-, DIHYDR",068938-73-8,173165,"3-[8,13,18-tris(2-carboxyethyl)-3,7,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoic acid;dihydrochloride",CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)C)CCC(=O)O)C)CCC(=O)O)CCC(=O)O.Cl.Cl,"InChI=1S/C36H38N4O8.2ClH/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29;;/h13-16,38,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48);2*1H",IXBATLQJODMDEH-UHFFFAOYSA-N,C36H40Cl2N4O8,727.6,726.2223196,,207,1170,0,8,10,12,50,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,1,3-BENZOXADIAZOLE, 1-OXIDE",000480-96-6,68075,"3-oxido-2,1,3-benzoxadiazol-3-ium",C1=CC2=NO[N+](=C2C=C1)[O-],InChI=1S/C6H4N2O2/c9-8-6-4-2-1-3-5(6)7-10-8/h1-4H,OKEAMBAZBICIFP-UHFFFAOYSA-N,C6H4N2O2,136.11,136.0272774,1.4,51.5,131,0,0,3,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
THIOLANE,000110-01-0,1127,thiolane,C1CCSC1,InChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2,RAOIDOHSFRTOEL-UHFFFAOYSA-N,C4H8S,88.17,88.03467143,1.4,25.3,22,0,0,1,0,5,55 °F (12 °C),121.12 °C @ 760 MM HG,0,1,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
"CYCLOHEPTANONE, 2-CHLORO-",000766-66-5,13012,2-chlorocycloheptan-1-one,C1CCC(C(=O)CC1)Cl,"InChI=1S/C7H11ClO/c8-6-4-2-1-3-5-7(6)9/h6H,1-5H2",SDSZGDVXUFWFAA-UHFFFAOYSA-N,C7H11ClO,146.61,146.0498427,2,17.1,111,0,0,1,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"NICKEL, TETRAKIS(TRIPHENYL PHOSPHITE-P)-, (T-4)-",014221-00-2,11979965,nickel;tetrakis(triphenyl phosphite),C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3.C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3.C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3.C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3.[Ni],InChI=1S/4C18H15O3P.Ni/c4*1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;/h4*1-15H;,PGXCIAAANFTEKX-UHFFFAOYSA-N,C72H60NiO12P4,1299.8,1298.238867,,111,247,0,0,12,24,89,,,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"LITHIUM 2,2,6,6-TETRAMETHYLPIPERIDIDE",038227-87-1,11051814,"lithium 2,2,6,6-tetramethylpiperidin-1-ide",[Li+].CC1(CCCC([N-]1)(C)C)C,"InChI=1S/C9H18N.Li/c1-8(2)6-5-7-9(3,4)10-8;/h5-7H2,1-4H3;/q-1;+1",ANYSGBYRTLOUPO-UHFFFAOYSA-N,C9H18LiN,147.2,147.159928,,1,116,0,0,1,0,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"6,6-DIMETHYL-2-METHYLENEBICYCLO[3.1.1]HEPTANE",000127-91-3,14896,"6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane",CC1(C2CCC(=C)C1C2)C,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3",WTARULDDTDQWMU-UHFFFAOYSA-N,C10H16,136.23,136.1252005,3.1,0,176,0,0,0,0,10,Flash point : 88 °F,166 °C,1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,1,0,0
N-FLUORO-N-CHLOROMETHYL-TRIETHYLENEDIAMINE BIS(TETRAFLUOROBORATE),140681-55-6,2724933,"1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane ditetrafluoroborate",[B-](F)(F)(F)F.[B-](F)(F)(F)F.C1C[N+]2(CC[N+]1(CC2)CCl)F,"InChI=1S/C7H14ClFN2.2BF4/c8-7-10-1-4-11(9,5-2-10)6-3-10;2*2-1(3,4)5/h1-7H2;;/q+2;2*-1",TXRPHPUGYLSHCX-UHFFFAOYSA-N,C7H14B2ClF9N2,354.3,354.0887899,,0,168,0,0,11,1,21,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
SODIUM NAPHTHALIDE,003481-12-7,13651362,sodium 1H-naphthalen-1-ide,C1=CC=C2[C-]=CC=CC2=C1.[Na+],InChI=1S/C10H7.Na/c1-2-6-10-8-4-3-7-9(10)5-1;/h1-7H;/q-1;+1,QLUMLEDLZDMGDW-UHFFFAOYSA-N,C10H7Na,150.15,150.0445445,,0,170,0,0,1,0,11,,,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0
"MAGNESIUM, BROMO-1-NAPHTHALENYL-",000703-55-9,11831277,magnesium;1H-naphthalen-1-ide;bromide,C1=CC=C2[C-]=CC=CC2=C1.[Mg+2].[Br-],InChI=1S/C10H7.BrH.Mg/c1-2-6-10-8-4-3-7-9(10)5-1;;/h1-7H;1H;/q-1;;+2/p-1,VCBWOINKHDKRAF-UHFFFAOYSA-M,C10H7BrMg,231.37,229.95815,,0,175,0,0,2,0,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
AFLATOXINS,001402-68-2,14421,"11-methoxy-6,8,16,20-tetraoxapentacyclo[10.8.0.02,9.03,7.013,18]icosa-1,4,9,11,13(18)-pentaene-17,19-dione",COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5C=COC5OC4=C1,"InChI=1S/C17H12O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h3,5-6,8,17H,2,4H2,1H3",XWIYFDMXXLINPU-UHFFFAOYSA-N,C17H12O7,328.27,328.0583027,1.8,80.3,666,0,0,7,1,24,,,0,0,0,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,1
7-DEHYDROCHOLESTEROL,000434-16-2,439423,"(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol",C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C,"InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1",UCTLRSWJYQTBFZ-DDPQNLDTSA-N,C27H44O,384.6,384.339216,8,20.2,643,0,1,1,5,28,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
CHROMOMYCIN A3,007059-24-7,656673,"[(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",C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O[C@H]2[C@@H](CC3=C(C2=O)C(=C4C(=C3)C=C(C(=C4O)C)O[C@H]5C[C@H]([C@H]([C@H](O5)C)OC(=O)C)O[C@@H]6C[C@H]([C@H]([C@H](O6)C)OC)O)O)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)O[C@H]7C[C@H]([C@@H]([C@H](O7)C)O)O[C@H]8C[C@]([C@H]([C@@H](O8)C)OC(=O)C)(C)O)O,"InChI=1S/C57H82O26/c1-21-34(79-40-19-37(53(26(6)75-40)77-28(8)59)82-38-16-33(61)52(70-11)25(5)74-38)15-31-13-30-14-32(54(71-12)51(68)46(63)22(2)58)55(50(67)44(30)49(66)43(31)45(21)62)83-41-18-35(47(64)24(4)73-41)80-39-17-36(48(65)23(3)72-39)81-42-20-57(10,69)56(27(7)76-42)78-29(9)60/h13,15,22-27,32-33,35-42,46-48,52-56,58,61-66,69H,14,16-20H2,1-12H3/t22-,23-,24-,25-,26-,27+,32+,33-,35-,36-,37-,38-,39+,40+,41+,42+,46+,47-,48-,52+,53+,54+,55+,56+,57+/m1/s1",ZYVSOIYQKUDENJ-WKSBCEQHSA-N,C57H82O26,1183.2,1182.509433,2.3,359,2190,0,8,26,20,83,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"2,2':6',2""-TERPYRIDINE",001148-79-4,70848,"2,6-dipyridin-2-ylpyridine",C1=CC=NC(=C1)C2=NC(=CC=C2)C3=CC=CC=N3,InChI=1S/C15H11N3/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13/h1-11H,DRGAZIDRYFYHIJ-UHFFFAOYSA-N,C15H11N3,233.27,233.0952974,2.4,38.7,232,0,0,3,2,18,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BLASTICIDINE S HYDROCHLORIDE,003513-03-9,75412545,"(2S,3S,6R)-3-[[(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid;hydrochloride",CN(CC[C@@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)O)N2C=CC(=NC2=O)N)N)C(=N)N.Cl,"InChI=1S/C17H26N8O5.ClH/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29;/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29);1H/t9-,10-,13+,14-;/m0./s1",YQXYQOXRCNEATG-NMQKUDMSSA-N,C17H27ClN8O5,458.9,458.1792937,,213,795,0,7,7,9,31,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H-Thieno(2,3-e)-1,2-thiazine-3-carboxamide, 4-hydroxy-2-methyl-N-2-pyridinyl-, 1,1-dioxide",59804-37-4,54677971,"4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide",CN1C(=C(C2=C(S1(=O)=O)C=CS2)O)C(=O)NC3=CC=CC=N3,"InChI=1S/C13H11N3O4S2/c1-16-10(13(18)15-9-4-2-3-6-14-9)11(17)12-8(5-7-21-12)22(16,19)20/h2-7,17H,1H3,(H,14,15,18)",LZNWYQJJBLGYLT-UHFFFAOYSA-N,C13H11N3O4S2,337.4,337.0190982,1.1,136,599,0,2,7,2,22,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
THEBAINE (PRECURSOR OF MANY NARCOTICS),000115-37-7,5324289,"(4R,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline",CN1CC[C@]23[C@@H]4C(=CC=C2[C@H]1CC5=C3C(=C(C=C5)OC)O4)OC,"InChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/t13-,18+,19+/m1/s1",FQXXSQDCDRQNQE-VMDGZTHMSA-N,C19H21NO3,311.4,311.1521435,2.2,30.9,585,0,0,4,2,23,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,1,0,0,1,1,1
ORIPAVINE,000467-04-9,5462306,"(4R,7aR,12bS)-7-methoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-ol",CN1CC[C@]23[C@@H]4C(=CC=C2[C@H]1CC5=C3C(=C(C=C5)O)O4)OC,"InChI=1S/C18H19NO3/c1-19-8-7-18-11-4-6-14(21-2)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19/h3-6,12,17,20H,7-9H2,1-2H3/t12-,17+,18+/m1/s1",ZKLXUUYLEHCAMF-UUWFMWQGSA-N,C18H19NO3,297.3,297.1364935,1.9,41.9,571,0,1,4,1,22,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,1,0,0,1,0,0
"2,3-DIHYDRO-5,6-DIMETHOXY-2-((1-(PHENYLMETHYL)-4-PIPERIDINYL)METHYL)-1H-INDEN-1-ONE HYDROCHLORIDE",120011-70-3,5741,"2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one;hydrochloride",COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OC.Cl,"InChI=1S/C24H29NO3.ClH/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18;/h3-7,14-15,17,20H,8-13,16H2,1-2H3;1H",XWAIAVWHZJNZQQ-UHFFFAOYSA-N,C24H30ClNO3,416,415.1914215,,38.8,510,0,1,4,6,29,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
NORBUPRENORPHINE,078715-23-8,114976,"(1S,2S,6R,14R,15R,16R)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol",C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN[C@@H]3CC6=C5C(=C(C=C6)O)O4)OC)(C(C)(C)C)O,"InChI=1S/C25H35NO4/c1-21(2,3)22(4,28)16-13-23-8-9-25(16,29-5)20-24(23)10-11-26-17(23)12-14-6-7-15(27)19(30-20)18(14)24/h6-7,16-17,20,26-28H,8-13H2,1-5H3/t16-,17-,20-,22+,23-,24+,25-/m1/s1",YOYLLRBMGQRFTN-IOMBULRVSA-N,C25H35NO4,413.5,413.2566086,3.8,71,752,0,3,5,3,30,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
ZOPICLONE,043200-80-2,5735,"[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate",CN1CCN(CC1)C(=O)OC2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl,"InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3",GBBSUAFBMRNDJC-UHFFFAOYSA-N,C17H17ClN6O3,388.8,388.1050661,0.5,91.8,573,0,0,7,3,27,,,0,1,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"1,3-DIMETHYL-3,4,5,6-TETRAHYDRO-2(1H)-PYRIMIDINONE",007226-23-5,81646,"1,3-dimethyl-1,3-diazinan-2-one",CN1CCCN(C1=O)C,"InChI=1S/C6H12N2O/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2H3",GUVUOGQBMYCBQP-UHFFFAOYSA-N,C6H12N2O,128.17,128.094963,-0.1,23.6,112,0,0,1,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0
"4,7-Methanoisobenzofuran, 1,3,3a,4,7,7a-hexahydro-4,5,6,7,8,8-hexachloro-",3369-52-6,97768,"1,7,8,9,10,10-hexachloro-4-oxatricyclo[5.2.1.02,6]dec-8-ene",C1C2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,"InChI=1S/C9H6Cl6O/c10-5-6(11)8(13)4-2-16-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2",CKPWHXBGVRURFU-UHFFFAOYSA-N,C9H6Cl6O,342.9,341.852031,4,9.2,373,0,0,1,0,16,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BETA-ENDOSULFAN,033213-65-9,12309460,"(1R,2S,8R,9S)-1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide",C1[C@@H]2[C@H](COS(=O)O1)[C@@]3(C(=C([C@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl,"InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7-,8+,19?",RDYMFSUJUZBWLH-AZVNHNRSSA-N,C9H6Cl6O3S,406.9,405.813931,3.8,54.7,470,0,0,4,0,19,,,1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
METHAPYRILENE HYDROCHLORIDE,000135-23-9,8667,"N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine;hydrochloride",CN(C)CCN(CC1=CC=CS1)C2=CC=CC=N2.Cl,"InChI=1S/C14H19N3S.ClH/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14;/h3-8,11H,9-10,12H2,1-2H3;1H",BONORRGKLJBGRV-UHFFFAOYSA-N,C14H20ClN3S,297.8,297.1066465,,47.6,235,0,1,4,6,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DICYCLOHEXANO-18-CROWN-6,016069-36-6,85955,"2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane",C1CCC2C(C1)OCCOCCOC3CCCCC3OCCOCCO2,"InChI=1S/C20H36O6/c1-2-6-18-17(5-1)23-13-9-21-11-15-25-19-7-3-4-8-20(19)26-16-12-22-10-14-24-18/h17-20H,1-16H2",BBGKDYHZQOSNMU-UHFFFAOYSA-N,C20H36O6,372.5,372.2511889,1.8,55.4,300,0,0,6,0,26,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-METHYL-2-BENZOTHIAZOLINONE HYDRAZONE,001128-67-2,14319,"(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine",CN1C2=CC=CC=C2SC1=NN,"InChI=1S/C8H9N3S/c1-11-6-4-2-3-5-7(6)12-8(11)10-9/h2-5H,9H2,1H3",PHOLIFLKGONSGY-UHFFFAOYSA-N,C8H9N3S,179.24,179.0517185,1.9,66.9,204,0,1,3,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PHENANTHRIDINE,000229-87-8,9189,phenanthridine,C1=CC=C2C(=C1)C=NC3=CC=CC=C23,InChI=1S/C13H9N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-9H,RDOWQLZANAYVLL-UHFFFAOYSA-N,C13H9N,179.22,179.0734993,3.5,12.9,201,0,0,1,0,14,,"660 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
KETANSERIN,074050-98-9,3822,"3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione",C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=O,"InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)",FPCCSQOGAWCVBH-UHFFFAOYSA-N,C22H22FN3O3,395.4,395.1645197,2.6,69.7,627,0,1,5,5,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BIS[4-(4-AMINOPHENOXY)PHENYL]SULFONE,013080-89-2,25689,4-[4-[4-(4-aminophenoxy)phenyl]sulfonylphenoxy]aniline,C1=CC(=CC=C1N)OC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)N,"InChI=1S/C24H20N2O4S/c25-17-1-5-19(6-2-17)29-21-9-13-23(14-10-21)31(27,28)24-15-11-22(12-16-24)30-20-7-3-18(26)4-8-20/h1-16H,25-26H2",UTDAGHZGKXPRQI-UHFFFAOYSA-N,C24H20N2O4S,432.5,432.1143783,4,113,585,0,2,6,6,31,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5,10-DIHYDRO-5,10-DIMETHYLPHENAZINE",015546-75-5,288679,"5,10-dimethylphenazine",CN1C2=CC=CC=C2N(C3=CC=CC=C31)C,"InChI=1S/C14H14N2/c1-15-11-7-3-5-9-13(11)16(2)14-10-6-4-8-12(14)15/h3-10H,1-2H3",GVTGSIMRZRYNEI-UHFFFAOYSA-N,C14H14N2,210.27,210.1156985,2.9,6.5,203,0,0,2,0,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Isoquinoline, 1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxy-",58-74-2,4680,"1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline",COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC,"InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3",XQYZDYMELSJDRZ-UHFFFAOYSA-N,C20H21NO4,339.4,339.1470582,3.9,49.8,407,0,0,5,6,25,,Sublimes at 135 °C,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"6,7,8,9-TETRAHYDRO-3-(2-(4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)-1-PIPERIDINYL)ETHYL)-2-METHYL-4H-PYRIDO(1,2-A)PYRIMIDIN-4-ONE",106266-06-2,5073,"3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one",CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F,"InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3",RAPZEAPATHNIPO-UHFFFAOYSA-N,C23H27FN4O2,410.5,410.2118043,2.7,61.9,731,0,0,6,4,30,,,0,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-(4-AMINO-1,3-DIHYDRO-1-OXO-2H-ISOINDOL-2-YL)-2,6-PIPERIDINEDIONE",191732-72-6,216326,"3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione",C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N,"InChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)",GOTYRUGSSMKFNF-UHFFFAOYSA-N,C13H13N3O3,259.26,259.0956913,-0.5,92.5,437,0,2,4,1,19,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"Valeronitrile, 5-((3,4-dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)",000052-53-9,2520,"2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile",CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC,"InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3",SGTNSNPWRIOYBX-UHFFFAOYSA-N,C27H38N2O4,454.6,454.2831577,3.8,64,606,0,0,6,13,33,,BP: 245 °C at 0.01 mm Hg,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
(+-)-VERAPAMIL MONOHYDROCHLORIDE,023313-68-0,62969,"2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride",CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl,"InChI=1S/C27H38N2O4.ClH/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6;/h9-12,17-18,20H,8,13-16H2,1-7H3;1H",DOQPXTMNIUCOSY-UHFFFAOYSA-N,C27H39ClN2O4,491.1,490.2598354,,64,606,0,1,6,13,34,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-INDOLE, 2,3-DIHYDRO-1,3,3-TRIMETHYL-2-METHYLENE-",000118-12-7,8351,"1,3,3-trimethyl-2-methylideneindole",CC1(C(=C)N(C2=CC=CC=C21)C)C,"InChI=1S/C12H15N/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4/h5-8H,1H2,2-4H3",ZTUKGBOUHWYFGC-UHFFFAOYSA-N,C12H15N,173.25,173.1204495,3.4,3.2,229,0,0,1,0,13,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"Zinc, bis(1-piperidinecarbodithioato)-",13878-54-1,159704,zinc bis(piperidine-1-carbodithioate),C1CCN(CC1)C(=S)[S-].C1CCN(CC1)C(=S)[S-].[Zn+2],"InChI=1S/2C6H11NS2.Zn/c2*8-6(9)7-4-2-1-3-5-7;/h2*1-5H2,(H,8,9);/q;;+2/p-2",YBKBEKGVHFHCRI-UHFFFAOYSA-L,C12H20N2S4Zn,386,383.980075,,72.7,102,0,0,4,0,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
MORPHINE-N-OXIDE,000639-46-3,5362459,"(4R,4aR,7S,7aR,12bS)-3-methyl-3-oxido-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7,9-diol",C[N+]1(CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O)[O-],"InChI=1S/C17H19NO4/c1-18(21)7-6-17-10-3-5-13(20)16(17)22-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-,18?/m0/s1",AMAPEXTUMXQULJ-APQDOHRLSA-N,C17H19NO4,301.34,301.1314081,0.2,67.8,539,0,2,4,0,22,,,0,0,1,1,0,0,0,0,0,0,0,0,0,1,1,0,0,1,0,0
BARIUM DIPHENYLAMINESULFONATE,006211-24-1,80342,bis(4-anilinobenzenesulfonate);barium(2+),C1=CC=C(C=C1)NC2=CC=C(C=C2)S(=O)(=O)[O-].C1=CC=C(C=C1)NC2=CC=C(C=C2)S(=O)(=O)[O-].[Ba+2],"InChI=1S/2C12H11NO3S.Ba/c2*14-17(15,16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10;/h2*1-9,13H,(H,14,15,16);/q;;+2/p-2",IVCNVXFNTKXMCA-UHFFFAOYSA-L,C24H20BaN2O6S2,633.9,633.981526,,155,309,0,2,8,4,35,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
OXAZOLAM,024143-17-7,4617,"10-chloro-2-methyl-11b-phenyl-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one",CC1CN2CC(=O)NC3=C(C2(O1)C4=CC=CC=C4)C=C(C=C3)Cl,"InChI=1S/C18H17ClN2O2/c1-12-10-21-11-17(22)20-16-8-7-14(19)9-15(16)18(21,23-12)13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3,(H,20,22)",VCCZBYPHZRWKFY-UHFFFAOYSA-N,C18H17ClN2O2,328.8,328.0978555,3,41.6,468,0,1,3,1,23,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Isoquinoline, 1,2,3,4-tetrahydro-8-amino-2-methyl-4-phenyl-",024526-64-5,4528,"2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine",CN1CC(C2=C(C1)C(=CC=C2)N)C3=CC=CC=C3,"InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3",XXPANQJNYNUNES-UHFFFAOYSA-N,C16H18N2,238.33,238.1469986,2.6,29.3,272,0,1,2,1,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-DIPHENYL OXAZOLE",000092-71-7,7105,"2,5-diphenyl-1,3-oxazole",C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=CC=C3,InChI=1S/C15H11NO/c1-3-7-12(8-4-1)14-11-16-15(17-14)13-9-5-2-6-10-13/h1-11H,CNRNYORZJGVOSY-UHFFFAOYSA-N,C15H11NO,221.25,221.084064,4.7,26,231,0,0,2,2,17,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-ethyl-4-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-2,5,7-trihydroxy-,methyl ester, hydrochloride, (1R-(1-alpha,2-beta,4-beta))-",75443-99-1,153751,"methyl (1R,2R,4S)-4-[(2R,4S,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;hydrochloride",CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O[C@H]7CCC(=O)[C@@H](O7)C)O)N(C)C)O.Cl,"InChI=1S/C42H53NO15.ClH/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29;/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3;1H/t18-,19-,20-,24-,27-,28-,29-,30-,31-,35-,39+,40+,42+;/m0./s1",KUSMIBXCRZTVML-PCCPLWKKSA-N,C42H54ClNO15,848.3,847.3181977,,217,1530,0,5,16,10,59,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4-Pentadienoic acid, 5-(4a-(acetyloxyl)-3,4,4a,5,6,9-hexahydro-3,7-dimethyl-",082508-32-5,6436278,"(2E,4E)-5-[(1R,7S,8S,9R)-7-acetyloxy-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acid",CC1=CC[C@]23CC[C@H]([C@]2(CC1)OC(=O)C)[C@@](OC3=O)(C)/C=C/C=C(\C)/C(=O)O,"InChI=1S/C22H28O6/c1-14-7-11-21-12-9-17(22(21,13-8-14)27-16(3)23)20(4,28-19(21)26)10-5-6-15(2)18(24)25/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,24,25)/b10-5+,15-6+/t17-,20+,21+,22-/m0/s1",GOHMRMDXUXWCDQ-MPVZDDSSSA-N,C22H28O6,388.5,388.1885886,2.7,89.9,806,0,1,6,5,28,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
ROTENONE,000083-79-4,6758,"(1S,6R,13S)-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one",CC(=C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC,"InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1",JUVIOZPCNVVQFO-HBGVWJBISA-N,C23H22O6,394.4,394.1416384,4.1,63.2,664,0,0,6,3,29,,"410 to 428 °F at 0.5 mmHg (NTP, 1992)",1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
HEPTACHLOR EPOXIDE,001024-57-3,15559699,"(1S,2R,3S,5S,6R,7S,8R)-1,6,8,9,10,11,11-heptachloro-4-oxatetracyclo[6.2.1.02,7.03,5]undec-9-ene",[C@@H]12[C@@H]([C@H]([C@@H]3[C@H]1O3)Cl)[C@]4(C(=C([C@@]2(C4(Cl)Cl)Cl)Cl)Cl)Cl,"InChI=1S/C10H5Cl7O/c11-3-1-2(4-5(3)18-4)9(15)7(13)6(12)8(1,14)10(9,16)17/h1-5H/t1-,2+,3+,4-,5+,8+,9-/m0/s1",ZXFXBSWRVIQKOD-UOFFAGTMSA-N,C10H5Cl7O,389.3,387.813059,3.7,12.5,504,0,0,1,0,18,,,1,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1,0
GRAMICIDIN D,001393-88-0,45267103,(2R)-2-[[2-[[(2S)-2-formamido-3-methylbutanoyl]amino]acetyl]amino]-N-[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-4-methylpentanamide,C[C@@H](C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC7=CNC8=CC=CC=C87)C(=O)NCCO)NC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)[C@H](C(C)C)NC=O,"InChI=1S/C96H135N19O16/c1-50(2)36-71(105-79(118)48-102-93(128)80(54(9)10)103-49-117)86(121)104-58(17)84(119)113-82(56(13)14)95(130)115-83(57(15)16)96(131)114-81(55(11)12)94(129)112-78(43-62-47-101-70-33-25-21-29-66(62)70)92(127)108-74(39-53(7)8)89(124)111-77(42-61-46-100-69-32-24-20-28-65(61)69)91(126)107-73(38-52(5)6)88(123)110-76(41-60-45-99-68-31-23-19-27-64(60)68)90(125)106-72(37-51(3)4)87(122)109-75(85(120)97-34-35-116)40-59-44-98-67-30-22-18-26-63(59)67/h18-33,44-47,49-58,71-78,80-83,98-101,116H,34-43,48H2,1-17H3,(H,97,120)(H,102,128)(H,103,117)(H,104,121)(H,105,118)(H,106,125)(H,107,126)(H,108,127)(H,109,122)(H,110,123)(H,111,124)(H,112,129)(H,113,119)(H,114,131)(H,115,130)/t58-,71+,72+,73+,74+,75-,76-,77-,78-,80-,81+,82+,83-/m0/s1",NDAYQJDHGXTBJL-MWWSRJDJSA-N,C96H135N19O16,1811.2,1811.036774,10.9,520,3790,0,20,16,50,131,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"Cyclooctanone, 2-chloro-",4828-34-6,107343,2-chlorocyclooctan-1-one,C1CCCC(=O)C(CC1)Cl,"InChI=1S/C8H13ClO/c9-7-5-3-1-2-4-6-8(7)10/h7H,1-6H2",ZUHGCXDUBLZMAG-UHFFFAOYSA-N,C8H13ClO,160.64,160.0654927,2.6,17.1,122,0,0,1,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Benzenamine, N,N'-methanetetraylbis(4-methyl-",726-42-1,69763,"N,N'-bis(4-methylphenyl)methanediimine",CC1=CC=C(C=C1)N=C=NC2=CC=C(C=C2)C,"InChI=1S/C15H14N2/c1-12-3-7-14(8-4-12)16-11-17-15-9-5-13(2)6-10-15/h3-10H,1-2H3",BOSWPVRACYJBSJ-UHFFFAOYSA-N,C15H14N2,222.28,222.1156985,5.3,24.7,244,0,0,2,2,17,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Pyrrolidine, hydrochloride",3760-52-9,19106857,pyrrolidin-3-one;hydrochloride,C1CNCC1=O.Cl,"InChI=1S/C4H7NO.ClH/c6-4-1-2-5-3-4;/h5H,1-3H2;1H",DPSTYIOIVSHZRI-UHFFFAOYSA-N,C4H8ClNO,121.56,121.0294416,,29.1,69,0,2,2,0,7,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
1-TOSYLPIPERAZINE,027106-51-0,704295,1-(4-methylphenyl)sulfonylpiperazine,CC1=CC=C(C=C1)S(=O)(=O)N2CCNCC2,"InChI=1S/C11H16N2O2S/c1-10-2-4-11(5-3-10)16(14,15)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3",VHFDYFUMWJSVCA-UHFFFAOYSA-N,C11H16N2O2S,240.32,240.0932489,0.8,57.8,309,0,1,4,2,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3H-2,1-BENZOXATHIOL-3-ONE, 4,5,6,7-TETRABROMO-, 1,1-DIOXIDE",068460-01-5,110335,"4,5,6,7-tetrabromo-1,1-dioxo-2,1lambda6-benzoxathiol-3-one",C12=C(C(=C(C(=C1Br)Br)Br)Br)S(=O)(=O)OC2=O,"InChI=1S/C7Br4O4S/c8-2-1-6(5(11)4(10)3(2)9)16(13,14)15-7(1)12",QPGYGIVRJIICGZ-UHFFFAOYSA-N,C7Br4O4S,499.76,499.62098,3.7,68.8,419,0,0,4,0,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONIC ACID, 3-(4,5-DIHYDRO-5-IMINO-3-METHYL-1H-PYRAZOL-1-YL)-",068083-38-5,106507,3-(5-imino-3-methyl-4H-pyrazol-1-yl)benzenesulfonic acid,CC1=NN(C(=N)C1)C2=CC(=CC=C2)S(=O)(=O)O,"InChI=1S/C10H11N3O3S/c1-7-5-10(11)13(12-7)8-3-2-4-9(6-8)17(14,15)16/h2-4,6,11H,5H2,1H3,(H,14,15,16)",INHXSMASASFALB-UHFFFAOYSA-N,C10H11N3O3S,253.28,253.0521124,0.1,102,452,0,2,5,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-TOSYLAZIRIDINE,003634-89-7,561274,1-(4-methylphenyl)sulfonylaziridine,CC1=CC=C(C=C1)S(=O)(=O)N2CC2,"InChI=1S/C9H11NO2S/c1-8-2-4-9(5-3-8)13(11,12)10-6-7-10/h2-5H,6-7H2,1H3",VBNWSEVVMYMVLC-UHFFFAOYSA-N,C9H11NO2S,197.26,197.0510498,1.2,45.5,268,0,0,3,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, N-(2-piperidinylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)-, monoacetat",054143-56-5,41022,"acetic acid;N-(piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide",CC(=O)O.C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F,"InChI=1S/C17H20F6N2O3.C2H4O2/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11;1-2(3)4/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26);1H3,(H,3,4)",RKXNZRPQSOPPRN-UHFFFAOYSA-N,C19H24F6N2O5,474.4,474.1589408,,96.9,531,0,3,12,7,32,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"Benzamide, N-(2-piperidinylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)-",54143-55-4,3356,"N-(piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide",C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F,"InChI=1S/C17H20F6N2O3/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26)",DJBNUMBKLMJRSA-UHFFFAOYSA-N,C17H20F6N2O3,414.34,414.1378115,3.8,59.6,500,0,2,10,7,28,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,1
"1H-Pyrrole-2,5-dione, 1,1'-(4-methyl-1,3-phenylene)bis-",6422-83-9,80893,"1-[3-(2,5-dioxopyrrol-1-yl)-4-methylphenyl]pyrrole-2,5-dione",CC1=C(C=C(C=C1)N2C(=O)C=CC2=O)N3C(=O)C=CC3=O,"InChI=1S/C15H10N2O4/c1-9-2-3-10(16-12(18)4-5-13(16)19)8-11(9)17-14(20)6-7-15(17)21/h2-8H,1H3",FJKKJQRXSPFNPM-UHFFFAOYSA-N,C15H10N2O4,282.25,282.0640568,0.5,74.8,556,0,0,4,2,21,,,1,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"4,4'=(W-ETHYL-2-NITROPROPANE-1,3-DIYL)BISMORPHOLINE",001854-23-5,61279,4-[2-(morpholin-4-ylmethyl)-2-nitrobutyl]morpholine,CCC(CN1CCOCC1)(CN2CCOCC2)[N+](=O)[O-],"InChI=1S/C13H25N3O4/c1-2-13(16(17)18,11-14-3-7-19-8-4-14)12-15-5-9-20-10-6-15/h2-12H2,1H3",XPGDDCOXMUFUCB-UHFFFAOYSA-N,C13H25N3O4,287.36,287.1845063,0.1,70.8,289,0,0,6,5,20,,,1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
BRILLIANT BLUE G,006104-58-1,61363,"sodium 3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]-2-methylcyclohexa-2,5-dien-1-ylidene]methyl]-N-ethyl-3-methylanilino]methyl]benzenesulfonate",CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC(=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3C)C5=CC=C(C=C5)NC6=CC=C(C=C6)OCC)C.[Na+],"InChI=1S/C47H49N3O7S2.Na/c1-6-49(31-35-11-9-13-43(29-35)58(51,52)53)40-21-25-45(33(4)27-40)47(37-15-17-38(18-16-37)48-39-19-23-42(24-20-39)57-8-3)46-26-22-41(28-34(46)5)50(7-2)32-36-12-10-14-44(30-36)59(54,55)56;/h9-30H,6-8,31-32H2,1-5H3,(H2,51,52,53,54,55,56);/q;+1/p-1",RWVGQQGBQSJDQV-UHFFFAOYSA-M,C47H48N3NaO7S2,854,853.2831375,,159,1610,0,1,9,13,60,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-DIANILINOETHANE",000150-61-8,67422,"N,N'-diphenylethane-1,2-diamine",C1=CC=C(C=C1)NCCNC2=CC=CC=C2,"InChI=1S/C14H16N2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2",NOUUUQMKVOUUNR-UHFFFAOYSA-N,C14H16N2,212.29,212.1313485,3.6,24.1,150,0,2,2,5,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAGLYCIDYLBIS(P-AMINOPHENYL)METHANE,028768-32-3,91593,"4-[[4-[bis(oxiran-2-ylmethyl)amino]phenyl]methyl]-N,N-bis(oxiran-2-ylmethyl)aniline",C1C(O1)CN(CC2CO2)C3=CC=C(C=C3)CC4=CC=C(C=C4)N(CC5CO5)CC6CO6,"InChI=1S/C25H30N2O4/c1-5-20(26(10-22-14-28-22)11-23-15-29-23)6-2-18(1)9-19-3-7-21(8-4-19)27(12-24-16-30-24)13-25-17-31-25/h1-8,22-25H,9-17H2",FAUAZXVRLVIARB-UHFFFAOYSA-N,C25H30N2O4,422.5,422.2205574,2.9,56.6,512,0,0,6,12,31,,,0,1,0,1,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,0
"Benzenamine, 4,4'-((2,2,2-trifluoro-1-(trifluoromethyl)ethylidene)bis(4,1-phenyleneoxy))bis-",69563-88-8,94652,"4-[4-[2-[4-(4-aminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]aniline",C1=CC(=CC=C1C(C2=CC=C(C=C2)OC3=CC=C(C=C3)N)(C(F)(F)F)C(F)(F)F)OC4=CC=C(C=C4)N,"InChI=1S/C27H20F6N2O2/c28-26(29,30)25(27(31,32)33,17-1-9-21(10-2-17)36-23-13-5-19(34)6-14-23)18-3-11-22(12-4-18)37-24-15-7-20(35)8-16-24/h1-16H,34-35H2",HHLMWQDRYZAENA-UHFFFAOYSA-N,C27H20F6N2O2,518.4,518.1428969,7.6,70.5,641,0,2,10,6,37,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-DITHIANE",000505-23-7,10451,"1,3-dithiane",C1CSCSC1,InChI=1S/C4H8S2/c1-2-5-4-6-3-1/h1-4H2,WQADWIOXOXRPLN-UHFFFAOYSA-N,C4H8S2,120.2,120.0067426,1.8,50.6,32,0,0,2,0,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-METHYL-1,3-DITHIANE",006007-26-7,22329,"2-methyl-1,3-dithiane",CC1SCCCS1,"InChI=1S/C5H10S2/c1-5-6-3-2-4-7-5/h5H,2-4H2,1H3",KXROTPXCYDXGSC-UHFFFAOYSA-N,C5H10S2,134.3,134.0223927,2.2,50.6,48,0,0,2,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2',7'-DICHLOROFLUORESCEIN DIACETATE",004091-99-0,77718,"2-(3,6-diacetyloxy-2,7-dichloro-9H-xanthen-9-yl)benzoic acid",CC(=O)OC1=C(C=C2C(C3=CC(=C(C=C3OC2=C1)OC(=O)C)Cl)C4=CC=CC=C4C(=O)O)Cl,"InChI=1S/C24H16Cl2O7/c1-11(27)31-21-9-19-15(7-17(21)25)23(13-5-3-4-6-14(13)24(29)30)16-8-18(26)22(32-12(2)28)10-20(16)33-19/h3-10,23H,1-2H3,(H,29,30)",PXEZTIWVRVSYOK-UHFFFAOYSA-N,C24H16Cl2O7,487.3,486.0273082,5.2,99.1,717,0,1,7,6,33,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SUCCINIMIDYL-6-BIOTINAMIDE HEXANOATE,072040-63-2,83874,"(2,5-dioxopyrrolidin-1-yl) 6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoate",C1CC(=O)N(C1=O)OC(=O)CCCCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3,"InChI=1S/C20H30N4O6S/c25-15(7-4-3-6-14-19-13(12-31-14)22-20(29)23-19)21-11-5-1-2-8-18(28)30-24-16(26)9-10-17(24)27/h13-14,19H,1-12H2,(H,21,25)(H2,22,23,29)/t13-,14-,19-/m0/s1",UVGHPGOONBRLCX-NJSLBKSFSA-N,C20H30N4O6S,454.5,454.1886059,0.1,159,702,0,3,7,13,31,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-BROMOBENZOCYCLOBUTENE,001073-39-8,10866980,"3-bromobicyclo[4.2.0]octa-1(6),2,4-triene",C1CC2=C1C=CC(=C2)Br,"InChI=1S/C8H7Br/c9-8-4-3-6-1-2-7(6)5-8/h3-5H,1-2H2",GMHHTGYHERDNLO-UHFFFAOYSA-N,C8H7Br,183.04,181.97311,2.2,0,111,0,0,0,0,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 4,4'-(9H-fluoren-9-ylidene)bis-",3236-71-3,76716,4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol,C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC=C(C=C4)O)C5=CC=C(C=C5)O,"InChI=1S/C25H18O2/c26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25/h1-16,26-27H",YWFPGFJLYRKYJZ-UHFFFAOYSA-N,C25H18O2,350.4,350.1306798,6,40.5,454,0,2,2,2,27,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"[1,3-BIS(2,6-DI-3-PENTYLPHENYL)IMIDAZOL-2-YLIDENE](3-CHLOROPYRIDYL)DICHLOROPALLADIUM(II)",1158652-41-5,146050493,"1,3-bis[2,6-di(pentan-3-yl)phenyl]-2H-imidazole;3-chloropyridine;palladium(2+);dichloride",CCC(CC)C1=C(C(=CC=C1)C(CC)CC)N2CN(C=C2)C3=C(C=CC=C3C(CC)CC)C(CC)CC.C1=CC(=CN=C1)Cl.[Cl-].[Cl-].[Pd+2],"InChI=1S/C35H54N2.C5H4ClN.2ClH.Pd/c1-9-26(10-2)30-19-17-20-31(27(11-3)12-4)34(30)36-23-24-37(25-36)35-32(28(13-5)14-6)21-18-22-33(35)29(15-7)16-8;6-5-2-1-3-7-4-5;;;/h17-24,26-29H,9-16,25H2,1-8H3;1-4H;2*1H;/q;;;;+2/p-2",VYJIWPKHKYUFCP-UHFFFAOYSA-L,C40H58Cl3N3Pd,793.7,791.27311,,19.4,604,0,0,5,14,47,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
N-(3-PHENYL-2-PROPENYLIDENE)ANILINE,000953-21-9,5375816,"(E)-N,3-diphenylprop-2-en-1-imine",C1=CC=C(C=C1)/C=C/C=NC2=CC=CC=C2,"InChI=1S/C15H13N/c1-3-8-14(9-4-1)10-7-13-16-15-11-5-2-6-12-15/h1-13H/b10-7+,16-13?",RGKOSCNIXIHSDE-DOSQDUBCSA-N,C15H13N,207.27,207.1047994,3.6,12.4,230,0,0,1,3,16,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Thiazole, 2,4-diamino-5-phenyl-, monohydrobromide",6020-54-8,145824,"5-phenyl-1,3-thiazole-2,4-diamine;hydrobromide",C1=CC=C(C=C1)C2=C(N=C(S2)N)N.Br,"InChI=1S/C9H9N3S.BrH/c10-8-7(13-9(11)12-8)6-4-2-1-3-5-6;/h1-5H,10H2,(H2,11,12);1H",JFSDUFWHNHMSRU-UHFFFAOYSA-N,C9H10BrN3S,272.17,270.97788,,93.2,170,0,3,4,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5'-BROMO-1,1':3',1''-TERPHENYL",103068-20-8,10070257,"1-bromo-3,5-diphenylbenzene",C1=CC=C(C=C1)C2=CC(=CC(=C2)Br)C3=CC=CC=C3,InChI=1S/C18H13Br/c19-18-12-16(14-7-3-1-4-8-14)11-17(13-18)15-9-5-2-6-10-15/h1-13H,IOPQERQQZZREDR-UHFFFAOYSA-N,C18H13Br,309.2,308.02006,5.9,0,237,0,0,0,2,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenothiazine, 10-((1-methyl-2-piperidyl)ethyl)-2-(methylthio)-",000050-52-2,5452,10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine,CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)SC,"InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3",KLBQZWRITKRQQV-UHFFFAOYSA-N,C21H26N2S2,370.6,370.1537412,5.9,57.1,432,0,0,4,4,25,,BP: 230 °C at 0.02 mm Hg,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Succinimide, N-methyl-2-phenyl-",000086-34-0,6839,"1-methyl-3-phenylpyrrolidine-2,5-dione",CN1C(=O)CC(C1=O)C2=CC=CC=C2,"InChI=1S/C11H11NO2/c1-12-10(13)7-9(11(12)14)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3",WLWFNJKHKGIJNW-UHFFFAOYSA-N,C11H11NO2,189.21,189.0789786,0.8,37.4,256,0,0,2,1,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BICYCLO[3.1.1]HEPTAN-3-ONE, 2,6,6-TRIMETHYL-, (1.ALPHA.,2.ALPHA.,5.ALPHA.)-",000547-60-4,6427105,"(1S,2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one",C[C@@H]1[C@@H]2C[C@@H](C2(C)C)CC1=O,"InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3/t6-,7-,8+/m1/s1",MQPHVIPKLRXGDJ-PRJMDXOYSA-N,C10H16O,152.23,152.1201151,2.3,17.1,205,0,0,1,0,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"QUINOLINE, DECAHYDRO-, TRANS-",000767-92-0,66078,"(4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline",C1CC[C@H]2[C@H](C1)CCCN2,"InChI=1S/C9H17N/c1-2-6-9-8(4-1)5-3-7-10-9/h8-10H,1-7H2/t8-,9+/m1/s1",POTIYWUALSJREP-BDAKNGLRSA-N,C9H17N,139.24,139.1360995,2,12,111,0,1,1,0,10,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-1,4-DIAZEPINE, 1-[(4-CHLOROPHENYL)PHENYLMETHYL]HEXAHYDRO-4-METHYL-",000848-53-3,3627,"1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane",CN1CCCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl,"InChI=1S/C19H23ClN2/c1-21-12-5-13-22(15-14-21)19(16-6-3-2-4-7-16)17-8-10-18(20)11-9-17/h2-4,6-11,19H,5,12-15H2,1H3",WEUCDJCFJHYFRL-UHFFFAOYSA-N,C19H23ClN2,314.9,314.1549764,4.2,6.5,321,0,0,2,3,22,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
PEMOLINE,002152-34-3,4723,"2-amino-5-phenyl-1,3-oxazol-4-one",C1=CC=C(C=C1)C2C(=O)N=C(O2)N,"InChI=1S/C9H8N2O2/c10-9-11-8(12)7(13-9)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12)",NRNCYVBFPDDJNE-UHFFFAOYSA-N,C9H8N2O2,176.17,176.0585775,0.9,64.7,244,0,1,2,1,13,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANENITRILE, 3-[[2-(2,5-DIOXO-1-PYRROLIDINYL)ETHYL](3-METHYLPHENYL)AMINO]-",002223-89-4,75209,"3-[N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylanilino]propanenitrile",CC1=CC(=CC=C1)N(CCC#N)CCN2C(=O)CCC2=O,"InChI=1S/C16H19N3O2/c1-13-4-2-5-14(12-13)18(9-3-8-17)10-11-19-15(20)6-7-16(19)21/h2,4-5,12H,3,6-7,9-11H2,1H3",SQZMCALHUSFSRR-UHFFFAOYSA-N,C16H19N3O2,285.34,285.1477269,1,64.4,424,0,0,4,6,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-THIAZOLIDINEDIONE",002295-31-0,5437,"1,3-thiazolidine-2,4-dione",C1C(=O)NC(=O)S1,"InChI=1S/C3H3NO2S/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)",ZOBPZXTWZATXDG-UHFFFAOYSA-N,C3H3NO2S,117.13,116.9884495,0.1,71.5,122,0,1,3,0,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9H-Purine, 6-benzylamino-9-tetrahydropyran-2-yl-",002312-73-4,16834,N-benzyl-9-(oxan-2-yl)purin-6-amine,C1CCOC(C1)N2C=NC3=C(N=CN=C32)NCC4=CC=CC=C4,"InChI=1S/C17H19N5O/c1-2-6-13(7-3-1)10-18-16-15-17(20-11-19-16)22(12-21-15)14-8-4-5-9-23-14/h1-3,6-7,11-12,14H,4-5,8-10H2,(H,18,19,20)",POFWRMVFWIJXHP-UHFFFAOYSA-N,C17H19N5O,309.4,309.1589603,2.6,64.9,376,0,1,5,4,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-1,4-Benzodiazepine, 7-chloro-2,3-dihydro-1-methyl-5-phenyl-, monohydrochlor",002898-11-5,12207008,"7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepine;hydrochloride",CN1CCN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3.Cl,"InChI=1S/C16H15ClN2.ClH/c1-19-10-9-18-16(12-5-3-2-4-6-12)14-11-13(17)7-8-15(14)19;/h2-8,11H,9-10H2,1H3;1H",XBWAZCLHZCFCGK-UHFFFAOYSA-N,C16H16Cl2N2,307.2,306.0690539,,15.6,336,0,1,2,1,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,1
"2-NAPHTHALENESULFONIC ACID, 6-AMINO-3-[[4-[(4-AMINOPHENYL)AZO]-2-METHOXY-5-MET",002945-96-2,135570814,sodium 6-amino-3-[[4-[(4-aminophenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate,CC1=CC(=C(C=C1N=NC2=CC=C(C=C2)N)OC)N=NC3=C(C=C4C=CC(=CC4=C3O)N)S(=O)(=O)[O-].[Na+],"InChI=1S/C24H22N6O5S.Na/c1-13-9-20(21(35-2)12-19(13)28-27-17-7-5-15(25)6-8-17)29-30-23-22(36(32,33)34)10-14-3-4-16(26)11-18(14)24(23)31;/h3-12,31H,25-26H2,1-2H3,(H,32,33,34);/q;+1/p-1",BQHRKYUXVHKLLZ-UHFFFAOYSA-M,C24H21N6NaO5S,528.5,528.1191833,,197,897,0,3,11,6,37,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Furanpropionic acid, tetrahydro-alpha-(1-naphthylmethyl)-, 2-(diethylamino)ethyl ester",31329-57-4,4417,2-(diethylamino)ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate,CCN(CC)CCOC(=O)C(CC1CCCO1)CC2=CC=CC3=CC=CC=C32,"InChI=1S/C24H33NO3/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3",KBAFPSLPKGSANY-UHFFFAOYSA-N,C24H33NO3,383.5,383.2460439,4.8,38.8,465,0,0,4,11,28,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-TETRAZOLE-1-ACETIC ACID, 2,5-DIHYDRO-5-THIOXO-, MONOSODIUM SALT",113221-74-2,23683214,sodium 2-(5-sulfanylidene-2H-tetrazol-1-yl)acetate,C(C(=O)[O-])N1C(=S)N=NN1.[Na+],"InChI=1S/C3H4N4O2S.Na/c8-2(9)1-7-3(10)4-5-6-7;/h1H2,(H,8,9)(H,4,6,10);/q;+1/p-1",HQPBCGYUKKDAHP-UHFFFAOYSA-M,C3H3N4NaO2S,182.14,181.9874408,,112,208,0,1,5,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TILETAMINE HYDROCHLORIDE,014176-50-2,26534,2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one;hydrochloride,CCNC1(CCCCC1=O)C2=CC=CS2.Cl,"InChI=1S/C12H17NOS.ClH/c1-2-13-12(11-7-5-9-15-11)8-4-3-6-10(12)14;/h5,7,9,13H,2-4,6,8H2,1H3;1H",ZUYKJZQOPXDNOK-UHFFFAOYSA-N,C12H18ClNOS,259.8,259.0797631,,57.3,244,0,2,3,3,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"Leucomycin V, 3-acetate 4(sup B)-(3-methylbutanoate)",016846-24-5,5282165,"[(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4-acetyloxy-10-hydroxy-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",C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)O,"InChI=1S/C42H69NO15/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45/h12-14,16,18,23-27,29-31,34-41,46,49-50H,15,17,19-22H2,1-11H3/b13-12+,16-14+/t24-,25-,26-,27+,29+,30+,31-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1",XJSFLOJWULLJQS-NGVXBBESSA-N,C42H69NO15,828,827.4667205,2.9,206,1390,0,3,16,14,58,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"s-Triazolo(4,3-a)pyridin-3(2H)-one, 2-(3-(4-(m-chlorophenyl)-1-piperazinyl)pro",019794-93-5,5533,"2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one",C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Cl,"InChI=1S/C19H22ClN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25/h1-3,5-7,9,15H,4,8,10-14H2",PHLBKPHSAVXXEF-UHFFFAOYSA-N,C19H22ClN5O,371.9,371.151288,2.8,42.4,611,0,0,4,5,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CLOBAZAM,022316-47-8,2789,"7-chloro-1-methyl-5-phenyl-1,5-benzodiazepine-2,4-dione",CN1C(=O)CC(=O)N(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3,"InChI=1S/C16H13ClN2O2/c1-18-13-8-7-11(17)9-14(13)19(16(21)10-15(18)20)12-5-3-2-4-6-12/h2-9H,10H2,1H3",CXOXHMZGEKVPMT-UHFFFAOYSA-N,C16H13ClN2O2,300.74,300.0665554,2.1,40.6,423,0,0,2,1,21,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,1
"Ergoline-8-beta-methanol, 10-methoxy-1,6-dimethyl-, 5-bromonicotinate (ester)",027848-84-6,34040,"[(6aR,9R,10aS)-10a-methoxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]methyl 5-bromopyridine-3-carboxylate",CN1C[C@@H](C[C@]2([C@H]1CC3=CN(C4=CC=CC2=C34)C)OC)COC(=O)C5=CC(=CN=C5)Br,"InChI=1S/C24H26BrN3O3/c1-27-13-17-8-21-24(30-3,19-5-4-6-20(27)22(17)19)9-15(12-28(21)2)14-31-23(29)16-7-18(25)11-26-10-16/h4-7,10-11,13,15,21H,8-9,12,14H2,1-3H3/t15-,21-,24+/m1/s1",YSEXMKHXIOCEJA-FVFQAYNVSA-N,C24H26BrN3O3,484.4,483.11575,3.2,56.6,680,0,0,5,5,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ergoline-8-methanol, 1,6-dimethyl-10-methoxy-, 5-chloro-3-pyridinecarboxylate (ester),(8-beta)-",38536-28-6,217314,"[(6aR,9R,10aS)-10a-methoxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]methyl 5-chloropyridine-3-carboxylate",CN1C[C@@H](C[C@]2([C@H]1CC3=CN(C4=CC=CC2=C34)C)OC)COC(=O)C5=CC(=CN=C5)Cl,"InChI=1S/C24H26ClN3O3/c1-27-13-17-8-21-24(30-3,19-5-4-6-20(27)22(17)19)9-15(12-28(21)2)14-31-23(29)16-7-18(25)11-26-10-16/h4-7,10-11,13,15,21H,8-9,12,14H2,1-3H3/t15-,21-,24+/m1/s1",DIRAHWOBGZRAEU-FVFQAYNVSA-N,C24H26ClN3O3,439.9,439.1662694,3.1,56.6,680,0,0,5,5,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Piperazine, 1-cinnamyl-4-(diphenylmethyl)-",000298-57-7,1547484,1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine,C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4,"InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2/b13-10+",DERZBLKQOCDDDZ-JLHYYAGUSA-N,C26H28N2,368.5,368.2252489,5.8,6.5,429,0,0,2,6,28,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0,0
"Ethanol, 2-(4-chlorophenoxy)-1-tert-butyl-2-(1H-1,2,4-triazole-1-yl)-",55219-65-3,41368,"1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol",CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)O,"InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3",BAZVSMNPJJMILC-UHFFFAOYSA-N,C14H18ClN3O2,295.76,295.1087545,3.1,60.2,303,0,1,4,5,20,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"Benzeneacetic acid, alpha-methyl-3-phenoxy-, calcium salt, (+-)-",34597-40-5,64746,calcium bis(2-(3-phenoxyphenyl)propanoate),CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)[O-].CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)[O-].[Ca+2],"InChI=1S/2C15H14O3.Ca/c2*1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13;/h2*2-11H,1H3,(H,16,17);/q;;+2/p-2",VHUXSAWXWSTUOD-UHFFFAOYSA-L,C30H26CaO6,522.6,522.1355294,,98.7,265,0,0,6,6,37,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"6-Heptenoic acid, 7-phenyl-7-(3-pyridinyl)-, (E)-",089667-40-3,5284442,(E)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid,C1=CC=C(C=C1)/C(=C\CCCCC(=O)O)/C2=CN=CC=C2,"InChI=1S/C18H19NO2/c20-18(21)12-6-2-5-11-17(15-8-3-1-4-9-15)16-10-7-13-19-14-16/h1,3-4,7-11,13-14H,2,5-6,12H2,(H,20,21)/b17-11+",UWPBQLKEHGGKKD-GZTJUZNOSA-N,C18H19NO2,281.3,281.1415788,4,50.2,345,0,1,3,7,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,1,3-Benzothiadiazole, 5-chloro-4-(2-imidazolin-2-ylamino)-",51322-75-9,5487,"5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine",C1CN=C(N1)NC2=C(C=CC3=NSN=C32)Cl,"InChI=1S/C9H8ClN5S/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9/h1-2H,3-4H2,(H2,11,12,13)",XFYDIVBRZNQMJC-UHFFFAOYSA-N,C9H8ClN5S,253.71,253.0188941,1.1,90.4,300,0,2,4,2,16,,,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
1-BUTYL-3-METHYLIMIDAZOLIUM BROMIDE,085100-77-2,25153273,1-butyl-3-methyl-2H-imidazole;hydrobromide,CCCCN1CN(C=C1)C.Br,"InChI=1S/C8H16N2.BrH/c1-3-4-5-10-7-6-9(2)8-10;/h6-7H,3-5,8H2,1-2H3;1H",OIWSIWZBQPTDKI-UHFFFAOYSA-N,C8H17BrN2,221.14,220.05751,,6.5,120,0,1,2,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"METHANAMINIUM, N-[4-[[4-(DIMETHYLAMINO)PHENYL][4-(PHENYLAMINO)-1-NAPHTHALENYL]",083803-79-6,163392,[4-[bis[4-(dimethylamino)phenyl]methylidene]naphthalen-1-ylidene]-phenylazanium acetate,CC(=O)[O-].CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[NH+]C3=CC=CC=C3)C4=CC=CC=C24)C5=CC=C(C=C5)N(C)C,"InChI=1S/C33H31N3.C2H4O2/c1-35(2)27-18-14-24(15-19-27)33(25-16-20-28(21-17-25)36(3)4)31-22-23-32(30-13-9-8-12-29(30)31)34-26-10-6-5-7-11-26;1-2(3)4/h5-23H,1-4H3;1H3,(H,3,4)",HEXKKVJQFCHILY-UHFFFAOYSA-N,C35H35N3O2,529.7,529.2729274,,60.6,794,0,1,4,5,40,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1H-Imidazole-1-acetonitrile, alpha-((4R)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene)-, (alphaE)-",187164-19-8,3003141,"(2E)-2-[(4R)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-ylacetonitrile",C1[C@H](S/C(=C(\C#N)/N2C=CN=C2)/S1)C3=C(C=C(C=C3)Cl)Cl,"InChI=1S/C14H9Cl2N3S2/c15-9-1-2-10(11(16)5-9)13-7-20-14(21-13)12(6-17)19-4-3-18-8-19/h1-5,8,13H,7H2/b14-12+/t13-/m0/s1",YTAOBBFIOAEMLL-REQDGWNSSA-N,C14H9Cl2N3S2,354.3,352.961495,4,92.2,476,0,0,4,2,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LORCASERIN,616202-92-7,11658860,"(5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine",C[C@H]1CNCCC2=C1C=C(C=C2)Cl,"InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1",XTTZERNUQAFMOF-QMMMGPOBSA-N,C11H14ClN,195.69,195.0814771,2.7,12,171,0,1,1,0,13,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
LORCASERIN HYDROCHLORIDE,846589-98-8,11673085,"(5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride",C[C@H]1CNCCC2=C1C=C(C=C2)Cl.Cl,"InChI=1S/C11H14ClN.ClH/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9;/h2-3,6,8,13H,4-5,7H2,1H3;1H/t8-;/m0./s1",ITIHHRMYZPNGRC-QRPNPIFTSA-N,C11H15Cl2N,232.15,231.0581549,,12,171,0,2,1,0,14,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
UR-144,1199943-44-6,44626619,"(1-pentylindol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone",CCCCCN1C=C(C2=CC=CC=C21)C(=O)C3C(C3(C)C)(C)C,"InChI=1S/C21H29NO/c1-6-7-10-13-22-14-16(15-11-8-9-12-17(15)22)18(23)19-20(2,3)21(19,4)5/h8-9,11-12,14,19H,6-7,10,13H2,1-5H3",NBMMIBNZVQFQEO-UHFFFAOYSA-N,C21H29NO,311.5,311.2249145,5.5,22,439,0,0,1,6,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
6-BENZYLAMINOPURINE,001214-39-7,62389,N-benzyl-7H-purin-6-amine,C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3,"InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)",NWBJYWHLCVSVIJ-UHFFFAOYSA-N,C12H11N5,225.25,225.1014454,2.1,66.5,241,0,2,4,3,17,,,1,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,1
"Cyclohexanecarboxamide, 4-((1R)-1-aminoethyl)-N-4-pyridinyl-, dihydrochloride, monohydrate, trans-",331752-47-7,9797929,4-[(1R)-1-aminoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide;hydrate;dihydrochloride,C[C@H](C1CCC(CC1)C(=O)NC2=CC=NC=C2)N.O.Cl.Cl,"InChI=1S/C14H21N3O.2ClH.H2O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13;;;/h6-12H,2-5,15H2,1H3,(H,16,17,18);2*1H;1H2/t10-,11?,12?;;;/m1.../s1",BLQHLDXMMWHXIT-UYRCGDKNSA-N,C14H25Cl2N3O2,338.3,337.1323824,,69,268,0,5,4,3,21,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BIS(2,4,6-TRICHLOROPHENYL) OXALATE",001165-91-9,160567,"bis(2,4,6-trichlorophenyl) oxalate",C1=C(C=C(C(=C1Cl)OC(=O)C(=O)OC2=C(C=C(C=C2Cl)Cl)Cl)Cl)Cl,InChI=1S/C14H4Cl6O4/c15-5-1-7(17)11(8(18)2-5)23-13(21)14(22)24-12-9(19)3-6(16)4-10(12)20/h1-4H,GEVPIWPYWJZSPR-UHFFFAOYSA-N,C14H4Cl6O4,448.9,447.821125,7.3,52.6,412,0,0,4,5,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CAMPHORQUINONE,010373-78-1,25208,"1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione",CC1(C2CCC1(C(=O)C2=O)C)C,"InChI=1S/C10H14O2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6H,4-5H2,1-3H3",VNQXSTWCDUXYEZ-UHFFFAOYSA-N,C10H14O2,166.22,166.0993797,1.5,34.1,278,0,0,2,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0
"6H-1,3,2-OXATHIASTANNIN-6-ONE, DIHYDRO-2,2-DIOCTYL-",003033-29-2,16682774,"2,2-dioctyl-1,3,2-oxathiastanninan-6-one",CCCCCCCC[Sn]1(OC(=O)CCS1)CCCCCCCC,"InChI=1S/2C8H17.C3H6O2S.Sn/c2*1-3-5-7-8-6-4-2;4-3(5)1-2-6;/h2*1,3-8H2,2H3;6H,1-2H2,(H,4,5);/q;;;+2/p-2",WLDRJVJOEKXTIE-UHFFFAOYSA-L,C19H38O2SSn,449.3,450.161454,,51.6,294,0,0,3,14,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"3H-INDOLIUM, 2-[2-[(4-ETHOXYPHENYL)AMINO]ETHENYL]-1,3,3-TRIMETHYL-,ACETATE",072252-43-8,6442016,"4-ethoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline acetate",CCOC1=CC=C(C=C1)N/C=C/C2=[N+](C3=CC=CC=C3C2(C)C)C.CC(=O)[O-],"InChI=1S/C21H24N2O.C2H4O2/c1-5-24-17-12-10-16(11-13-17)22-15-14-20-21(2,3)18-8-6-7-9-19(18)23(20)4;1-2(3)4/h6-15H,5H2,1-4H3;1H3,(H,3,4)",KYHAWQRSSYHRBB-UHFFFAOYSA-N,C23H28N2O3,380.5,380.2099928,,64.4,512,0,1,4,5,28,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,6-ANHYDRO-BETA-D-GLUCOSE",000498-07-7,2724705,"(1R,2S,3S,4R,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol",C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](O1)O2)O)O)O,"InChI=1S/C6H10O5/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-9H,1H2/t2-,3-,4+,5-,6-/m1/s1",TWNIBLMWSKIRAT-VFUOTHLCSA-N,C6H10O5,162.14,162.0528234,-2.1,79.2,161,0,3,5,0,11,,,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(+)-DIP-CHLORIDE,112246-73-8,9923113,"chloro-bis[(1S,2R,3S,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]borane",B([C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C)([C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)Cl,"InChI=1S/C20H34BCl/c1-11-15-7-13(19(15,3)4)9-17(11)21(22)18-10-14-8-16(12(18)2)20(14,5)6/h11-18H,7-10H2,1-6H3/t11-,12-,13+,14+,15-,16-,17-,18-/m0/s1",PSEHHVRCDVOTID-NAVXHOJHSA-N,C20H34BCl,320.7,320.2442089,,0,428,0,0,0,2,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
(-)-DIP-CHLORIDE,085116-37-6,11131038,"chloro-bis[(1R,2S,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]borane",B([C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C)([C@@H]3C[C@@H]4C[C@H]([C@H]3C)C4(C)C)Cl,"InChI=1S/C20H34BCl/c1-11-15-7-13(19(15,3)4)9-17(11)21(22)18-10-14-8-16(12(18)2)20(14,5)6/h11-18H,7-10H2,1-6H3/t11-,12-,13+,14+,15-,16-,17-,18-/m1/s1",PSEHHVRCDVOTID-VMAIWCPRSA-N,C20H34BCl,320.7,320.2442089,,0,428,0,0,0,2,22,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,4,7-TRIAZACYCLONONANE",004730-54-5,188318,"1,4,7-triazonane",C1CNCCNCCN1,"InChI=1S/C6H15N3/c1-2-8-5-6-9-4-3-7-1/h7-9H,1-6H2",ITWBWJFEJCHKSN-UHFFFAOYSA-N,C6H15N3,129.2,129.1265975,-1.9,36.1,45,0,3,3,0,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,1'-(METHYLENEDI-4,1-PHENYLENE)BIS-MALEIMIDE",013676-54-5,83648,"1-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]pyrrole-2,5-dione",C1=CC(=CC=C1CC2=CC=C(C=C2)N3C(=O)C=CC3=O)N4C(=O)C=CC4=O,"InChI=1S/C21H14N2O4/c24-18-9-10-19(25)22(18)16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)23-20(26)11-12-21(23)27/h1-12H,13H2",XQUPVDVFXZDTLT-UHFFFAOYSA-N,C21H14N2O4,358.3,358.0953569,2.1,74.8,614,0,0,4,4,27,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Boric acid, tris(1-amino-2-propyl) ester",101-00-8,225550,"3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane",B12OC(CN(CC(O1)C)CC(O2)C)C,"InChI=1S/C9H18BNO3/c1-7-4-11-5-8(2)13-10(12-7)14-9(3)6-11/h7-9H,4-6H2,1-3H3",IWKGJTDSJPLUCE-UHFFFAOYSA-N,C9H18BNO3,199.06,199.1379736,,30.9,171,0,0,4,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
LIPOPROTEIN LIPASE,009004-02-8,167312575,5-[2-(4-bromophenyl)ethenyl]-7-methyloctane-1-sulfonic acid;7-(4-bromophenyl)-5-propan-2-ylhept-6-ene-1-sulfonic acid;7-(4-tert-butylphenyl)-5-propan-2-ylhept-6-ene-1-sulfonic acid;bis(5-[2-(4-chlorophenyl)ethenyl]-7-methyloctane-1-sulfonic acid);bis(5-[2-(4-fluorophenyl)ethenyl]-7-methyloctane-1-sulfonic acid);7-(4-fluorophenyl)-5-propan-2-ylhept-6-ene-1-sulfonic acid,CC(C)CC(CCCCS(=O)(=O)O)C=CC1=CC=C(C=C1)F.CC(C)CC(CCCCS(=O)(=O)O)C=CC1=CC=C(C=C1)F.CC(C)CC(CCCCS(=O)(=O)O)C=CC1=CC=C(C=C1)Cl.CC(C)CC(CCCCS(=O)(=O)O)C=CC1=CC=C(C=C1)Cl.CC(C)CC(CCCCS(=O)(=O)O)C=CC1=CC=C(C=C1)Br.CC(C)C(CCCCS(=O)(=O)O)C=CC1=CC=C(C=C1)C(C)(C)C.CC(C)C(CCCCS(=O)(=O)O)C=CC1=CC=C(C=C1)F.CC(C)C(CCCCS(=O)(=O)O)C=CC1=CC=C(C=C1)Br,"InChI=1S/C20H32O3S.C17H25BrO3S.2C17H25ClO3S.2C17H25FO3S.C16H23BrO3S.C16H23FO3S/c1-16(2)18(8-6-7-15-24(21,22)23)12-9-17-10-13-19(14-11-17)20(3,4)5;5*1-14(2)13-16(5-3-4-12-22(19,20)21)7-6-15-8-10-17(18)11-9-15;2*1-13(2)15(5-3-4-12-21(18,19)20)9-6-14-7-10-16(17)11-8-14/h9-14,16,18H,6-8,15H2,1-5H3,(H,21,22,23);5*6-11,14,16H,3-5,12-13H2,1-2H3,(H,19,20,21);2*6-11,13,15H,3-5,12H2,1-2H3,(H,18,19,20)",JVCNNQAORSRACF-UHFFFAOYSA-N,C137H203Br2Cl2F3O24S8,2778.3,2776.0139,,502,2530,0,8,27,70,176,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
"6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine, 2-bromo-4-(2-chloropheny",057801-81-7,2451,"4-bromo-7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene",CC1=NN=C2N1C3=C(C=C(S3)Br)C(=NC2)C4=CC=CC=C4Cl,"InChI=1S/C15H10BrClN4S/c1-8-19-20-13-7-18-14(9-4-2-3-5-11(9)17)10-6-12(16)22-15(10)21(8)13/h2-6H,7H2,1H3",UMSGKTJDUHERQW-UHFFFAOYSA-N,C15H10BrClN4S,393.7,391.94981,2.8,71.3,465,0,0,4,1,22,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,1
"19-Norpregna-4,9-diene-21-nitrile, 17-hydroxy-3-oxo-, (17-alpha)-",065928-58-7,68861,"2-[(8S,13S,14S,17R)-17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]acetonitrile",C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(CC#N)O,"InChI=1S/C20H25NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h12,17-18,23H,2-10H2,1H3/t17-,18+,19+,20-/m1/s1",AZFLJNIPTRTECV-FUMNGEBKSA-N,C20H25NO2,311.4,311.188529,1.8,61.1,679,0,1,3,1,23,,,1,0,0,0,0,1,1,1,0,0,1,0,0,1,0,0,1,0,0,1
S-DIPHENYLCARBAZIDE,000140-22-7,8789,"1,3-dianilinourea",C1=CC=C(C=C1)NNC(=O)NNC2=CC=CC=C2,"InChI=1S/C13H14N4O/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14-15H,(H2,16,17,18)",KSPIHGBHKVISFI-UHFFFAOYSA-N,C13H14N4O,242.28,242.1167611,3.1,65.2,223,0,4,3,4,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Carbohydrazide, 1,5-bis(p-nitrophenyl)-",622-69-5,4043031,"1,3-bis(4-nitroanilino)urea",C1=CC(=CC=C1NNC(=O)NNC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C13H12N6O5/c20-13(16-14-9-1-5-11(6-2-9)18(21)22)17-15-10-3-7-12(8-4-10)19(23)24/h1-8,14-15H,(H2,16,17,20)",CEMQVKAEUMRRQJ-UHFFFAOYSA-N,C13H12N6O5,332.27,332.0869175,2.8,157,409,0,4,7,4,24,,,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0
"TRANS,TRANS-1,4-DIPHENYL-1,3-BUTADIENE",000538-81-8,641683,"[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene",C1=CC=C(C=C1)/C=C/C=C/C2=CC=CC=C2,"InChI=1S/C16H14/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-14H/b13-7+,14-8+",JFLKFZNIIQFQBS-FNCQTZNRSA-N,C16H14,206.28,206.1095504,5.5,0,198,0,0,0,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3,5,6-TETRACHLORO-4-PYRIDINETHIOL",010351-06-1,3034212,"2,3,5,6-tetrachloro-1H-pyridine-4-thione",C1(=C(NC(=C(C1=S)Cl)Cl)Cl)Cl,"InChI=1S/C5HCl4NS/c6-1-3(11)2(7)5(9)10-4(1)8/h(H,10,11)",LVUQDNJRAHUUSB-UHFFFAOYSA-N,C5HCl4NS,248.9,248.855431,4.1,44.1,254,0,1,2,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
COUMARIN 30,041044-12-6,100335,7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one,CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4N3C,"InChI=1S/C21H21N3O2/c1-4-24(5-2)15-11-10-14-12-16(21(25)26-19(14)13-15)20-22-17-8-6-7-9-18(17)23(20)3/h6-13H,4-5H2,1-3H3",KZFUMWVJJNDGAU-UHFFFAOYSA-N,C21H21N3O2,347.4,347.1633769,4,47.4,559,0,0,4,4,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DMT-THYMIDINE,040615-39-2,162419,"1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione",CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O,"InChI=1S/C31H32N2O7/c1-20-18-33(30(36)32-29(20)35)28-17-26(34)27(40-28)19-39-31(21-7-5-4-6-8-21,22-9-13-24(37-2)14-10-22)23-11-15-25(38-3)16-12-23/h4-16,18,26-28,34H,17,19H2,1-3H3,(H,32,35,36)/t26-,27+,28+/m0/s1",UBTJZUKVKGZHAD-UPRLRBBYSA-N,C31H32N2O7,544.6,544.2209514,3.4,107,879,0,2,7,9,40,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
RESAZURIN SODIUM,062758-13-8,112939,sodium 10-oxido-7-oxophenoxazin-10-ium-3-olate,C1=CC2=C(C=C1[O-])OC3=CC(=O)C=CC3=[N+]2[O-].[Na+],"InChI=1S/C12H7NO4.Na/c14-7-1-3-9-11(5-7)17-12-6-8(15)2-4-10(12)13(9)16;/h1-6,14H;/q;+1/p-1",IVGPGQSSDLDOLH-UHFFFAOYSA-M,C12H6NNaO4,251.17,251.019452,,78.1,427,0,0,4,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
STAINS-ALL,007423-31-6,6364602,"(2Z)-1-ethyl-2-[(E)-3-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-methylprop-2-enylidene]benzo[e][1,3]benzothiazole bromide",CCN1/C(=C/C(=C/C2=[N+](C3=C(S2)C=CC4=CC=CC=C43)CC)/C)/SC5=C1C6=CC=CC=C6C=C5.[Br-],"InChI=1S/C30H27N2S2.BrH/c1-4-31-27(33-25-16-14-21-10-6-8-12-23(21)29(25)31)18-20(3)19-28-32(5-2)30-24-13-9-7-11-22(24)15-17-26(30)34-28;/h6-19H,4-5H2,1-3H3;1H/q+1;/p-1",MPBRYMWMMKKRGC-UHFFFAOYSA-M,C30H27BrN2S2,559.6,558.0799,,60.7,730,0,0,4,4,35,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,3,5,5-TETRAMETHYLPYRROLINE N-OXIDE",010135-38-3,151490,"2,2,4,4-tetramethyl-1-oxido-3H-pyrrol-1-ium",CC1(CC([N+](=C1)[O-])(C)C)C,"InChI=1S/C8H15NO/c1-7(2)5-8(3,4)9(10)6-7/h6H,5H2,1-4H3",GUQARRULARNYQZ-UHFFFAOYSA-N,C8H15NO,141.21,141.1153641,0.7,28.8,180,0,0,1,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1H-Imidazole-1-sulfonamide, 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-",120116-88-3,9862076,"4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide",CC1=CC=C(C=C1)C2=C(N=C(N2S(=O)(=O)N(C)C)C#N)Cl,"InChI=1S/C13H13ClN4O2S/c1-9-4-6-10(7-5-9)12-13(14)16-11(8-15)18(12)21(19,20)17(2)3/h4-7H,1-3H3",YXKMMRDKEKCERS-UHFFFAOYSA-N,C13H13ClN4O2S,324.79,324.0447745,2.6,87.4,516,0,0,5,3,21,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,3'-DITHIOBIS(SULFOSUCCINIMIDYL PROPIONATE)",081069-02-5,123933,"1-[3-[[3-(2,5-dioxo-3-sulfopyrrolidin-1-yl)oxy-3-oxopropyl]disulfanyl]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonic acid",C1C(C(=O)N(C1=O)OC(=O)CCSSCCC(=O)ON2C(=O)CC(C2=O)S(=O)(=O)O)S(=O)(=O)O,"InChI=1S/C14H16N2O14S4/c17-9-5-7(33(23,24)25)13(21)15(9)29-11(19)1-3-31-32-4-2-12(20)30-16-10(18)6-8(14(16)22)34(26,27)28/h7-8H,1-6H2,(H,23,24,25)(H,26,27,28)",VOTJUWBJENROFB-UHFFFAOYSA-N,C14H16N2O14S4,564.6,563.9484379,-2.1,303,1020,0,2,16,13,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-AMINO-1,2,4-TRIAZINE",001120-99-6,70715,"1,2,4-triazin-3-amine",C1=CN=NC(=N1)N,"InChI=1S/C3H4N4/c4-3-5-1-2-6-7-3/h1-2H,(H2,4,5,7)",MJIWQHRXSLOUJN-UHFFFAOYSA-N,C3H4N4,96.09,96.04359615,-1.2,64.7,54,0,1,4,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-DIPHENOXYETHANE",000104-66-5,7713,2-phenoxyethoxybenzene,C1=CC=C(C=C1)OCCOC2=CC=CC=C2,"InChI=1S/C14H14O2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-10H,11-12H2",XCSGHNKDXGYELG-UHFFFAOYSA-N,C14H14O2,214.26,214.0993797,3.8,18.5,150,0,0,2,5,16,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"4,4-DIMETHOXY-2,5-CYCLOHEXADIEN-1-ONE",000935-50-2,394648,"4,4-dimethoxycyclohexa-2,5-dien-1-one",COC1(C=CC(=O)C=C1)OC,"InChI=1S/C8H10O3/c1-10-8(11-2)5-3-7(9)4-6-8/h3-6H,1-2H3",AVZOEZMUNZGWLN-UHFFFAOYSA-N,C8H10O3,154.16,154.0629942,0.3,35.5,193,0,0,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1',3'-DIHYDRO-8-METHOXY-1',3',3'-TRI-ME-6-NITROSPIRO(1-BENZOPYRAN-INDOLE)",001498-89-1,99765,"8-methoxy-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]",CC1(C2=CC=CC=C2N(C13C=CC4=C(O3)C(=CC(=C4)[N+](=O)[O-])OC)C)C,"InChI=1S/C20H20N2O4/c1-19(2)15-7-5-6-8-16(15)21(3)20(19)10-9-13-11-14(22(23)24)12-17(25-4)18(13)26-20/h5-12H,1-4H3",IZDVWQPIYXTGIF-UHFFFAOYSA-N,C20H20N2O4,352.4,352.1423071,4.7,67.5,601,0,0,5,1,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
M-MALEIMIDOBENZOYL-N-HYDROXYSULFOSUCCINIMIDE ESTER,103848-62-0,124851,"1-[3-(2,5-dioxopyrrol-1-yl)benzoyl]oxy-2,5-dioxopyrrolidine-3-sulfonic acid",C1C(C(=O)N(C1=O)OC(=O)C2=CC(=CC=C2)N3C(=O)C=CC3=O)S(=O)(=O)O,"InChI=1S/C15H10N2O9S/c18-11-4-5-12(19)16(11)9-3-1-2-8(6-9)15(22)26-17-13(20)7-10(14(17)21)27(23,24)25/h1-6,10H,7H2,(H,23,24,25)",DIYPCWKHSODVAP-UHFFFAOYSA-N,C15H10N2O9S,394.3,394.0107011,-0.4,164,839,0,1,9,5,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(-)-BIS(3,5-DI-T-BUTYL-SALICYL.)-1,2-CYCLO-HEXANEDIAMINO-MANGANESE CHLORIDE",138124-32-0,73602790,"2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate;manganese(3+);chloride",CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)[O-])C=N[C@@H]2CCCC[C@H]2N=CC3=C(C(=CC(=C3)C(C)(C)C)C(C)(C)C)[O-].[Cl-].[Mn+3],"InChI=1S/C36H54N2O2.ClH.Mn/c1-33(2,3)25-17-23(31(39)27(19-25)35(7,8)9)21-37-29-15-13-14-16-30(29)38-22-24-18-26(34(4,5)6)20-28(32(24)40)36(10,11)12;;/h17-22,29-30,39-40H,13-16H2,1-12H3;1H;/q;;+3/p-3/t29-,30-;;/m1../s1",LJVAWOSDJSQANR-SEILFYAJSA-K,C36H52ClMnN2O2,635.2,634.309775,,70.8,793,0,0,5,8,42,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SIGMA-ALDRICH IR-780 IODIDE,207399-07-3,43833460,"(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole iodide",CCCN\1C2=CC=CC=C2C(/C1=C\C=C\3/CCCC(=C3Cl)/C=C/C4=[N+](C5=CC=CC=C5C4(C)C)CCC)(C)C.[I-],"InChI=1S/C36H44ClN2.HI/c1-7-24-38-30-18-11-9-16-28(30)35(3,4)32(38)22-20-26-14-13-15-27(34(26)37)21-23-33-36(5,6)29-17-10-12-19-31(29)39(33)25-8-2;/h9-12,16-23H,7-8,13-15,24-25H2,1-6H3;1H/q+1;/p-1",IRPKBYJYVJOQHQ-UHFFFAOYSA-M,C36H44ClIN2,667.1,666.22377,,6.3,990,0,0,2,7,40,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(S)-(-)-1-(4-NITROPHENYL)-2-PYRROLIDINE-METHANOL,088422-19-9,11447382,[(2S)-1-(4-nitrophenyl)pyrrolidin-2-yl]methanol,C1C[C@H](N(C1)C2=CC=C(C=C2)[N+](=O)[O-])CO,"InChI=1S/C11H14N2O3/c14-8-11-2-1-7-12(11)9-3-5-10(6-4-9)13(15)16/h3-6,11,14H,1-2,7-8H2/t11-/m0/s1",HCVBBVTZZJFVLA-NSHDSACASA-N,C11H14N2O3,222.24,222.1004423,1.7,69.3,246,0,1,4,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
M-DANSYLAMINOPHENYLBORONIC ACID,075806-94-9,150643,[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]boronic acid,B(C1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C)(O)O,"InChI=1S/C18H19BN2O4S/c1-21(2)17-10-4-9-16-15(17)8-5-11-18(16)26(24,25)20-14-7-3-6-13(12-14)19(22)23/h3-12,20,22-23H,1-2H3",TYXMKSYBCDTGDU-UHFFFAOYSA-N,C18H19BN2O4S,370.2,370.1158584,,98.3,566,0,3,6,5,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
P-(5-DIMETHYLAMINONAPHTHALENE-1-SULFONYL)AMINOPHENYLISOTHIOCYANATE,102417-94-7,128100,5-(dimethylamino)-N-(4-isothiocyanatophenyl)naphthalene-1-sulfonamide,CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC3=CC=C(C=C3)N=C=S,"InChI=1S/C19H17N3O2S2/c1-22(2)18-7-3-6-17-16(18)5-4-8-19(17)26(23,24)21-15-11-9-14(10-12-15)20-13-25/h3-12,21H,1-2H3",MZGXHCHKGRQLHR-UHFFFAOYSA-N,C19H17N3O2S2,383.5,383.0762191,5.4,102,617,0,1,6,5,26,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
3-Methyl-2-((1-methyl-2-phenyl-1H-indol-3-yl)azo)thiazolium chloride,042373-04-6,93234,"(1-methyl-2-phenylindol-3-yl)-(3-methyl-1,3-thiazol-3-ium-2-yl)diazene chloride",CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)N=NC4=[N+](C=CS4)C.[Cl-],"InChI=1S/C19H17N4S.ClH/c1-22-12-13-24-19(22)21-20-17-15-10-6-7-11-16(15)23(2)18(17)14-8-4-3-5-9-14;/h3-13H,1-2H3;1H/q+1;/p-1",WMAVHUWINYPPKT-UHFFFAOYSA-M,C19H17ClN4S,368.9,368.0862454,,61.8,451,0,0,4,3,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"THIAZOLIUM, 3-METHYL-2-[(1-METHYL-2-PHENYL-1H-INDOL-3-YL)AZO]-, ACETATE",084787-87-1,163422,"(1-methyl-2-phenylindol-3-yl)-(3-methyl-1,3-thiazol-3-ium-2-yl)diazene acetate",CC(=O)[O-].CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)N=NC4=[N+](C=CS4)C,"InChI=1S/C19H17N4S.C2H4O2/c1-22-12-13-24-19(22)21-20-17-15-10-6-7-11-16(15)23(2)18(17)14-8-4-3-5-9-14;1-2(3)4/h3-13H,1-2H3;1H3,(H,3,4)/q+1;/p-1",ZKJQYZFOLOZTBN-UHFFFAOYSA-M,C21H20N4O2S,392.5,392.1306971,,102,476,0,0,5,3,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,4-Thiadiazole, 2-amino-5-(p-nitrophenyl)-",833-63-6,96637,"5-(4-nitrophenyl)-1,3,4-thiadiazol-2-amine",C1=CC(=CC=C1C2=NN=C(S2)N)[N+](=O)[O-],"InChI=1S/C8H6N4O2S/c9-8-11-10-7(15-8)5-1-3-6(4-2-5)12(13)14/h1-4H,(H2,9,11)",XAPNDVNSXWXPJS-UHFFFAOYSA-N,C8H6N4O2S,222.23,222.0211466,1.5,126,239,0,1,6,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-PHENYL-2-OXAZOLINE,007127-19-7,244030,"2-phenyl-4,5-dihydro-1,3-oxazole",C1COC(=N1)C2=CC=CC=C2,"InChI=1S/C9H9NO/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5H,6-7H2",ZXTHWIZHGLNEPG-UHFFFAOYSA-N,C9H9NO,147.17,147.0684139,1.5,21.6,159,0,0,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"POTASSIUM 1,1,2,2,3,3-HEXAFLUOROPROPANE-1,3-DISULFONIMIDE",588668-97-7,44630348,"potassium 4,4,5,5,6,6-hexafluoro-1lambda6,3lambda6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide",C1(C(S(=O)(=O)[N-]S(=O)(=O)C1(F)F)(F)F)(F)F.[K+],"InChI=1S/C3F6NO4S2.K/c4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9;/q-1;+1",XHXQVKHBZXYEKL-UHFFFAOYSA-N,C3F6KNO4S2,331.3,330.8810003,,86,468,0,0,11,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"5-CHLORO-1,3-DIHYDRO-1,3,3-TRIMETHYLSPIRO[2H-INDOLE-2,3'-(3H)NAPHTH[2,1-B](1,4)OXAZINE]",027333-50-2,2817364,"5'-chloro-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]",CC1(C2=C(C=CC(=C2)Cl)N(C13C=NC4=C(O3)C=CC5=CC=CC=C54)C)C,"InChI=1S/C22H19ClN2O/c1-21(2)17-12-15(23)9-10-18(17)25(3)22(21)13-24-20-16-7-5-4-6-14(16)8-11-19(20)26-22/h4-13H,1-3H3",VODQUQTUKIYWSU-UHFFFAOYSA-N,C22H19ClN2O,362.8,362.1185909,5.7,24.8,593,0,0,3,0,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-1,2,3-TRIAZOLE, 1-(TRIMETHYLSILYL)-",013257-88-0,83274,trimethyl(triazol-1-yl)silane,C[Si](C)(C)N1C=CN=N1,"InChI=1S/C5H11N3Si/c1-9(2,3)8-5-4-6-7-8/h4-5H,1-3H3",MJXUZAHRGOEWSQ-UHFFFAOYSA-N,C5H11N3Si,141.25,141.0722239,,30.7,98,0,0,2,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Propanone, 1-(2-(beta-D-glucopyranosyloxy)-4,6-dihydroxyphenyl)-3-(4-hydroxy",000060-81-1,45933907,"1-[2,4-dihydroxy-6-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one",C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O[C@H]3C([C@@H]([C@@H](C(O3)CO)O)O)O)O)O)O,"InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16?,18-,19-,20?,21-/m1/s1",IOUVKUPGCMBWBT-HXBJIUPGSA-N,C21H24O10,436.4,436.136947,1.2,177,581,0,7,10,7,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
S-TRITHIANE,000291-21-4,9264,"1,3,5-trithiane",C1SCSCS1,InChI=1S/C3H6S3/c1-4-2-6-3-5-1/h1-3H2,LORRLQMLLQLPSJ-UHFFFAOYSA-N,C3H6S3,138.3,137.9631637,2.2,75.9,21,0,0,3,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
CALCOMINE BRILLIANT VIOLET,002586-60-9,135462983,disodium;6-amino-5-[[4-[4-[(2-amino-8-hydroxy-6-sulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate,C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=C(C=CC4=CC(=CC(=C43)O)S(=O)(=O)[O-])N)N=NC5=C(C=CC6=CC(=CC(=C65)O)S(=O)(=O)[O-])N.[Na+].[Na+],"InChI=1S/C32H24N6O8S2.2Na/c33-25-11-5-19-13-23(47(41,42)43)15-27(39)29(19)31(25)37-35-21-7-1-17(2-8-21)18-3-9-22(10-4-18)36-38-32-26(34)12-6-20-14-24(48(44,45)46)16-28(40)30(20)32;;/h1-16,39-40H,33-34H2,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2",VDRKHPFIMDTBNX-UHFFFAOYSA-L,C32H22N6Na2O8S2,728.7,728.0735926,,273,1240,0,4,14,5,50,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANONE, 1-PHENYL-, DIPHENYLHYDRAZONE",003741-90-0,107456,N-phenyl-N-(1-phenylethylideneamino)aniline,CC(=NN(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C20H18N2/c1-17(18-11-5-2-6-12-18)21-22(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3",AGBSHMKRSVRCNP-UHFFFAOYSA-N,C20H18N2,286.4,286.1469986,5.5,15.6,327,0,0,2,4,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONAMIDE, 4-METHYL-N-8-QUINOLINYL-",010304-39-9,82533,4-methyl-N-quinolin-8-ylbenzenesulfonamide,CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC3=C2N=CC=C3,"InChI=1S/C16H14N2O2S/c1-12-7-9-14(10-8-12)21(19,20)18-15-6-2-4-13-5-3-11-17-16(13)15/h2-11,18H,1H3",ZSMKPYXVUIWTCT-UHFFFAOYSA-N,C16H14N2O2S,298.4,298.0775989,2.1,67.4,438,0,1,4,3,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DICYCLOHEXYL PHTHALATE,000084-61-7,6777,"dicyclohexyl benzene-1,2-dicarboxylate",C1CCC(CC1)OC(=O)C2=CC=CC=C2C(=O)OC3CCCCC3,"InChI=1S/C20H26O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2",VOWAEIGWURALJQ-UHFFFAOYSA-N,C20H26O4,330.4,330.1831093,5.2,52.6,381,0,0,4,6,24,"405 °F (NTP, 1992)","392 to 455 °F at 4 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0
"5-QUINOLINESULFONIC ACID, 8-HYDROXY-7-(1-NAPHTHALENYLAZO)-",050539-65-6,98565,8-hydroxy-7-(naphthalen-1-yldiazenyl)quinoline-5-sulfonic acid,C1=CC=C2C(=C1)C=CC=C2N=NC3=CC(=C4C=CC=NC4=C3O)S(=O)(=O)O,"InChI=1S/C19H13N3O4S/c23-19-16(11-17(27(24,25)26)14-8-4-10-20-18(14)19)22-21-15-9-3-6-12-5-1-2-7-13(12)15/h1-11,23H,(H,24,25,26)",GTBQEEPPEWJTGD-UHFFFAOYSA-N,C19H13N3O4S,379.4,379.0626771,3.6,121,650,0,2,7,3,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-QUINOLINESULFONIC ACID, 8-HYDROXY-7-[(4-SULFO-1-NAPHTHALENYL)AZO]-, DISODIUM",053611-17-9,72237,disodium;8-hydroxy-7-[(4-sulfonatonaphthalen-1-yl)diazenyl]quinoline-5-sulfonate,C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])N=NC3=CC(=C4C=CC=NC4=C3O)S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C19H13N3O7S2.2Na/c23-19-15(10-17(31(27,28)29)13-6-3-9-20-18(13)19)22-21-14-7-8-16(30(24,25)26)12-5-2-1-4-11(12)14;;/h1-10,23H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2",GYRHOVMZMGPIER-UHFFFAOYSA-L,C19H11N3Na2O7S2,503.4,502.9833806,,189,857,0,1,10,2,33,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Tetrazole-1-ethanol, alpha-(4-chlorophenyl)-5-(phenylmethyl)-",,558094,2-(tetrazol-1-yl)ethanol,C1=NN=NN1CCO,"InChI=1S/C3H6N4O/c8-2-1-7-3-4-5-6-7/h3,8H,1-2H2",HROUXFIBPSXDJB-UHFFFAOYSA-N,C3H6N4O,114.11,114.0541608,-1.2,63.8,68,0,1,4,2,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONAMIDE, 4-[(1-AMINO-9,10-DIHYDRO-4-HYDROXY-9,10-DIOXO-2-ANTHRACENY",072363-26-9,166283,"4-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxy-N-(3-ethoxypropyl)benzenesulfonamide",CCOCCCNS(=O)(=O)C1=CC=C(C=C1)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N,"InChI=1S/C25H24N2O7S/c1-2-33-13-5-12-27-35(31,32)16-10-8-15(9-11-16)34-20-14-19(28)21-22(23(20)26)25(30)18-7-4-3-6-17(18)24(21)29/h3-4,6-11,14,27-28H,2,5,12-13,26H2,1H3",ALXCWDABTQQKAH-UHFFFAOYSA-N,C25H24N2O7S,496.5,496.1304223,4,153,852,0,3,9,9,35,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,1,0
"2-Pyrazoline, 3,5-bis(4-chlorophenyl)-1-phenyl-",57845-06-4,561652,"3,5-bis(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole",C1C(N(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C4=CC=C(C=C4)Cl,"InChI=1S/C21H16Cl2N2/c22-17-10-6-15(7-11-17)20-14-21(16-8-12-18(23)13-9-16)25(24-20)19-4-2-1-3-5-19/h1-13,21H,14H2",NTHVRFBJCARCTA-UHFFFAOYSA-N,C21H16Cl2N2,367.3,366.0690539,6.3,15.6,459,0,0,2,3,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N'-DIPHENYL-P-PHENYLENEDIAMINE",000074-31-7,6319,"1-N,4-N-diphenylbenzene-1,4-diamine",C1=CC=C(C=C1)NC2=CC=C(C=C2)NC3=CC=CC=C3,"InChI=1S/C18H16N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1-14,19-20H",UTGQNNCQYDRXCH-UHFFFAOYSA-N,C18H16N2,260.3,260.1313485,5,24.1,231,0,2,2,4,20,"400 °F (NTP, 1992)","428 to 437 °F at 0.5 mmHg (NTP, 1992)",0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"1H-PYRROLE-1-HEPTANOIC ACID, BETA,DELTA-DIHYDROXY-2-(4-FLUOROPHENYL)-5-(1-METH",134523-03-8,60822,"calcium bis((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate)",CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.[Ca+2],"InChI=1S/2C33H35FN2O5.Ca/c2*1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40;/h2*3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);/q;;+2/p-2/t2*26-,27-;/m11./s1",FQCKMBLVYCEXJB-MNSAWQCASA-L,C66H68CaF2N4O10,1155.3,1154.452942,,229,817,0,6,12,22,83,,,1,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,1,0,1,1
SPIRAMYCIN,008025-81-8,5289394,"2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,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-10-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde",C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)O[C@H]4CC[C@@H]([C@H](O4)C)N(C)C,"InChI=1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12+,16-14+/t24-,25-,26-,27-,28+,29+,30+,31-,32+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-/m1/s1",ACTOXUHEUCPTEW-CEUOBAOPSA-N,C43H74N2O14,843.1,842.514005,2.1,195,1370,0,4,16,11,59,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,1,0,1,1,0,1
"Spiramycin, hexanedioate",68880-55-7,6450354,"2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,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-10-[(5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde;hexanedioic acid",C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CC[C@@H]([C@H](O4)C)N(C)C.C(CCC(=O)O)CC(=O)O,"InChI=1S/C43H74N2O14.C6H10O4/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34;7-5(8)3-1-2-4-6(9)10/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3;1-4H2,(H,7,8)(H,9,10)/b13-12+,16-14+;/t24-,25-,26-,27-,28+,29+,30+,31-,32+,34?,35+,36-,37-,38-,39+,40+,41+,42+,43-;/m1./s1",PLQDGTZICFBBSO-DPUAUXBSSA-N,C49H84N2O18,989.2,988.5719138,,270,1480,0,6,20,16,69,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"[2S-(2ALPHA, 3BETA, 5ALPHA)]-3-METHYL-7-OXO-3(1H,2,3-TRIAZOL-1-YLMETHYL)-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID 4,4-DIOXIDE SODIUM SALT",089785-84-2,23663400,"sodium (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(triazol-1-ylmethyl)-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",C[C@@]1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)[O-])CN3C=CN=N3.[Na+],"InChI=1S/C10H12N4O5S.Na/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19;/h2-3,7-8H,4-5H2,1H3,(H,16,17);/q;+1/p-1/t7-,8+,10+;/m1./s1",RFMIKMMOLPNEDG-QVUDESDKSA-M,C10H11N4NaO5S,322.28,322.0347849,,134,578,0,0,7,3,21,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
HISTRELIN ACETATE,220810-26-4,56927879,acetic acid;(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-3-(1-benzylimidazol-4-yl)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide,CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CN(C=N2)CC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8.CC(=O)O.CC(=O)O,"InChI=1S/C66H86N18O12.2C2H4O2/c1-4-70-64(95)55-17-11-25-84(55)65(96)48(16-10-24-71-66(67)68)76-58(89)49(26-38(2)3)77-62(93)53(30-43-34-83(37-74-43)33-40-12-6-5-7-13-40)81-59(90)50(27-39-18-20-44(86)21-19-39)78-63(94)54(35-85)82-60(91)51(28-41-31-72-46-15-9-8-14-45(41)46)79-61(92)52(29-42-32-69-36-73-42)80-57(88)47-22-23-56(87)75-47;2*1-2(3)4/h5-9,12-15,18-21,31-32,34,36-38,47-55,72,85-86H,4,10-11,16-17,22-30,33,35H2,1-3H3,(H,69,73)(H,70,95)(H,75,87)(H,76,89)(H,77,93)(H,78,94)(H,79,92)(H,80,88)(H,81,90)(H,82,91)(H4,67,68,71);2*1H3,(H,3,4)/t47-,48-,49-,50-,51-,52-,53+,54-,55-;;/m0../s1",BKEMVGVBBDMHKL-VYFXDUNUSA-N,C70H94N18O16,1443.6,1442.709519,,524,2690,0,17,19,34,104,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((((4-ethyl-2,3-diox",062893-19-0,44187,"(6R,7R)-7-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=C(C=C2)O)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O,"InChI=1S/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15-,16-,22-/m1/s1",GCFBRXLSHGKWDP-XCGNWRKASA-N,C25H27N9O8S2,645.7,645.1424012,-0.7,271,1250,0,4,13,9,44,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"2,7-NAPHTHALENEDISULFONIC ACID, 4-AMINO-6-[[5-[(4-AMINO-6-CHLORO-1,3,5-TRIAZIN",068259-02-9,135666478,"pentasodium;5-amino-3-[[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]diazenyl]-6-[(2,5-disulfonatophenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonate",C1=CC(=C(C=C1NC2=NC(=NC(=N2)N)Cl)N=NC3=C(C4=C(C(=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC5=C(C=CC(=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])N)O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+],"InChI=1S/C25H19ClN10O16S5.5Na/c26-23-30-24(28)32-25(31-23)29-10-1-3-14(54(41,42)43)12(7-10)33-36-21-17(57(50,51)52)6-9-5-16(56(47,48)49)20(19(27)18(9)22(21)37)35-34-13-8-11(53(38,39)40)2-4-15(13)55(44,45)46;;;;;/h1-8,37H,27H2,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H3,28,29,30,31,32);;;;;/q;5*+1/p-5",UYAABLNBFLLCJA-UHFFFAOYSA-I,C25H14ClN10Na5O16S5,1021.2,1019.836979,,500,2010,0,4,26,6,62,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0
"Pyridinium, 4-carbamoyl-1-((2-carboxy-8-oxo-7-(2-(2-thienyl)acetamido)-5-thia-1-aza-bicyclo(4.2.0)oct-2-en-3-yl)methyl)- hydroxide, inner salt",5575-21-3,21743,"(6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate",C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CS3)C(=O)[O-])C[N+]4=CC=C(C=C4)C(=O)N,"InChI=1S/C20H18N4O5S2/c21-17(26)11-3-5-23(6-4-11)9-12-10-31-19-15(18(27)24(19)16(12)20(28)29)22-14(25)8-13-2-1-7-30-13/h1-7,15,19H,8-10H2,(H3-,21,22,25,26,28,29)/t15-,19-/m1/s1",FMZXNVLFJHCSAF-DNVCBOLYSA-N,C20H18N4O5S2,458.5,458.071862,0.7,190,806,0,2,7,6,31,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1,0,0
"BICYCLO[2.2.2]OCT-5-ENE-2-CARBOXALDEHYDE, 6-METHYL-8-(1-METHYLETHYL)-",067845-30-1,106866,6-methyl-8-propan-2-ylbicyclo[2.2.2]oct-5-ene-2-carbaldehyde,CC1=CC2CC(C1CC2C(C)C)C=O,"InChI=1S/C13H20O/c1-8(2)12-6-13-9(3)4-10(12)5-11(13)7-14/h4,7-8,10-13H,5-6H2,1-3H3",OWFZJSXGDOTWSH-UHFFFAOYSA-N,C13H20O,192.3,192.1514153,2.6,17.1,264,0,0,1,2,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,3-NAPHTHALENEDISULFONIC ACID, 7-HYDROXY-8-[[4-[1-[4-[(4-HYDROXYPHENYL)AZO]PH",072828-67-2,166307,"potassium;sodium;7-hydroxy-8-[[4-[1-[4-[(4-hydroxyphenyl)diazenyl]phenyl]cyclohexyl]phenyl]diazenyl]naphthalene-1,3-disulfonate",C1CCC(CC1)(C2=CC=C(C=C2)N=NC3=CC=C(C=C3)O)C4=CC=C(C=C4)N=NC5=C(C=CC6=CC(=CC(=C65)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[K+],"InChI=1S/C34H30N4O8S2.K.Na/c39-28-15-13-27(14-16-28)36-35-25-9-5-23(6-10-25)34(18-2-1-3-19-34)24-7-11-26(12-8-24)37-38-33-30(40)17-4-22-20-29(47(41,42)43)21-31(32(22)33)48(44,45)46;;/h4-17,20-21,39-40H,1-3,18-19H2,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2",FTZAXOYOWGABAK-UHFFFAOYSA-L,C34H28KN4NaO8S2,746.8,746.088332,,221,1310,0,2,12,6,50,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENESULFONIC ACID, 2-[[5-(AMINOCARBONYL)-1-ETHYL-1,6-DIHYDRO-2-HYDROXY-4-ME",075268-65-4,166467,"disodium;2-[(5-carbamoyl-1-ethyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)diazenyl]-4-[[4-(2-chloro-5-sulfonatoanilino)-6-fluoro-1,3,5-triazin-2-yl]amino]benzenesulfonate",CCN1C(=C(C(=C(C1=O)N=NC2=C(C=CC(=C2)NC3=NC(=NC(=N3)F)NC4=C(C=CC(=C4)S(=O)(=O)[O-])Cl)S(=O)(=O)[O-])C)C(=O)N)O.[Na+].[Na+],"InChI=1S/C24H21ClFN9O9S2.2Na/c1-3-35-20(37)17(19(27)36)10(2)18(21(35)38)34-33-15-8-11(4-7-16(15)46(42,43)44)28-23-30-22(26)31-24(32-23)29-14-9-12(45(39,40)41)5-6-13(14)25;;/h4-9,37H,3H2,1-2H3,(H2,27,36)(H,39,40,41)(H,42,43,44)(H2,28,29,30,31,32);;/q;2*+1/p-2",QGICSQUXJMZAPN-UHFFFAOYSA-L,C24H19ClFN9Na2O9S2,742,741.02151,,302,1480,0,4,17,8,48,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
CAPTAFOL,002425-06-1,17038,"2-(1,1,2,2-tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione",C1C=CCC2C1C(=O)N(C2=O)SC(C(Cl)Cl)(Cl)Cl,"InChI=1S/C10H9Cl4NO2S/c11-9(12)10(13,14)18-15-7(16)5-3-1-2-4-6(5)8(15)17/h1-2,5-6,9H,3-4H2",JHRWWRDRBPCWTF-UHFFFAOYSA-N,C10H9Cl4NO2S,349.1,348.90786,3.8,62.7,387,0,0,3,3,18,,"Decomposes (NIOSH, 2024)",1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0
ALPHA-BENZOIN OXIME,000441-38-3,9924,"2-hydroxyimino-1,2-diphenylethanol",C1=CC=C(C=C1)C(C(=NO)C2=CC=CC=C2)O,"InChI=1S/C14H13NO2/c16-14(12-9-5-2-6-10-12)13(15-17)11-7-3-1-4-8-11/h1-10,14,16-17H",WAKHLWOJMHVUJC-UHFFFAOYSA-N,C14H13NO2,227.26,227.0946287,2.4,52.8,253,0,2,3,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
REACTIVE BLUE 4,013324-20-4,25863,"1-amino-4-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid",C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)S(=O)(=O)O)NC5=NC(=NC(=N5)Cl)Cl)S(=O)(=O)O)N,"InChI=1S/C23H14Cl2N6O8S2/c24-21-29-22(25)31-23(30-21)28-12-7-9(5-6-14(12)40(34,35)36)27-13-8-15(41(37,38)39)18(26)17-16(13)19(32)10-3-1-2-4-11(10)20(17)33/h1-8,27H,26H2,(H,34,35,36)(H,37,38,39)(H,28,29,30,31)",RTLULCVBFCRQKI-UHFFFAOYSA-N,C23H14Cl2N6O8S2,637.4,635.9691592,4.7,248,1220,0,5,14,6,41,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-ANTHRACENESULFONIC ACID, 1-AMINO-4-[[3-[(4,6-DICHLORO-1,3,5-TRIAZIN-2-YL)AMI",004499-01-8,78253,"disodium;1-amino-4-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate",C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)S(=O)(=O)[O-])NC5=NC(=NC(=N5)Cl)Cl)S(=O)(=O)[O-])N.[Na+].[Na+],"InChI=1S/C23H14Cl2N6O8S2.2Na/c24-21-29-22(25)31-23(30-21)28-12-7-9(5-6-14(12)40(34,35)36)27-13-8-15(41(37,38)39)18(26)17-16(13)19(32)10-3-1-2-4-11(10)20(17)33;;/h1-8,27H,26H2,(H,34,35,36)(H,37,38,39)(H,28,29,30,31);;/q;2*+1/p-2",DHHMYWVFMSHEIP-UHFFFAOYSA-L,C23H12Cl2N6Na2O8S2,681.4,679.9330477,,254,1200,0,3,14,4,43,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-ANTHRACENESULFONIC ACID, 1-AMINO-4-(CYCLOHEXYLAMINO)-9,10-DIHYDRO-9,10-DIOXO",004368-56-3,23678881,"sodium 1-amino-4-(cyclohexylamino)-9,10-dioxoanthracene-2-sulfonate",C1CCC(CC1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+],"InChI=1S/C20H20N2O5S.Na/c21-18-15(28(25,26)27)10-14(22-11-6-2-1-3-7-11)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23;/h4-5,8-11,22H,1-3,6-7,21H2,(H,25,26,27);/q;+1/p-1",DJDYMAHXZBQZKH-UHFFFAOYSA-M,C20H19N2NaO5S,422.4,422.0912372,,138,734,0,2,7,3,29,,,0,0,0,0,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0
"CHROMATE(2-), [1-[(2-HYDROXY-3,5-DINITROPHENYL)AZO]-2-NAPHTHALENOLATO(2-)][3-H",070236-55-4,156025097,"disodium;chromium(3+);1-[(3,5-dinitro-2-oxidophenyl)diazenyl]naphthalen-2-olate;7-nitro-3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate",C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])[O-])[O-].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C4C=CC(=CC4=C(C=C3[O-])S(=O)(=O)[O-])[N+](=O)[O-])[O-].[Na+].[Na+].[Cr+3],"InChI=1S/C20H13N3O7S.C16H10N4O6.Cr.2Na/c24-16-8-5-11-3-1-2-4-13(11)19(16)21-22-20-14-7-6-12(23(26)27)9-15(14)18(10-17(20)25)31(28,29)30;21-14-6-5-9-3-1-2-4-11(9)15(14)18-17-12-7-10(19(23)24)8-13(16(12)22)20(25)26;;;/h1-10,24-25H,(H,28,29,30);1-8,21-22H;;;/q;;+3;2*+1/p-5",SQDZSVAEYJUKHA-UHFFFAOYSA-I,C36H18CrN7Na2O13S,886.6,885.988373,,345,1340,0,0,17,4,60,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"CHROMATE(2-), [1-[(5-CHLORO-2-HYDROXYPHENYL)AZO]-2-NAPHTHALENOLATO(2-)][3-HYDR",075214-56-1,136160594,disodium;1-[(5-chloro-2-hydroxyphenyl)diazenyl]naphthalen-2-ol;chromium;3-hydroxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid,C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)Cl)O)O.C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C4=CC=CC=C43)S(=O)(=O)O)O)O.[Na+].[Na+].[Cr],"InChI=1S/C20H14N2O5S.C16H11ClN2O2.Cr.2Na/c23-16-10-9-12-5-1-2-6-13(12)19(16)21-22-20-15-8-4-3-7-14(15)18(11-17(20)24)28(25,26)27;17-11-6-8-14(20)13(9-11)18-19-16-12-4-2-1-3-10(12)5-7-15(16)21;;;/h1-11,23-24H,(H,25,26,27);1-9,20-21H;;;/q;;;2*+1",OXMRQWZNALNKNH-UHFFFAOYSA-N,C36H25ClCrN4Na2O7S+2,791.1,790.033291,,193,1250,2,5,11,0,52,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
CARFENTRAZONE-ETHYL,128639-02-1,86222,"ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate",CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl,"InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3",MLKCGVHIFJBRCD-UHFFFAOYSA-N,C15H14Cl2F3N3O3,412.2,411.0364312,4,62.2,582,0,0,7,7,26,,350-355 °C,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
DIPHENYL SUCCINATE,000621-14-7,69300,diphenyl butanedioate,C1=CC=C(C=C1)OC(=O)CCC(=O)OC2=CC=CC=C2,"InChI=1S/C16H14O4/c17-15(19-13-7-3-1-4-8-13)11-12-16(18)20-14-9-5-2-6-10-14/h1-10H,11-12H2",YDPPRPIIZGLGCJ-UHFFFAOYSA-N,C16H14O4,270.28,270.0892089,2.6,52.6,282,0,0,4,7,20,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
"12H-DIBENZO[D,G][1,3,2]DIOXAPHOSPHOCIN, 2,4,8,10-TETRAKIS(1,1-DIMETHYLETHYL)-6",126050-54-2,19996246,"1,3,7,9-tetratert-butyl-11-(2-ethylhexoxy)-5H-benzo[d][1,3,2]benzodioxaphosphocine",CCCCC(CC)COP1OC2=C(CC3=C(O1)C(=CC(=C3)C(C)(C)C)C(C)(C)C)C=C(C=C2C(C)(C)C)C(C)(C)C,"InChI=1S/C37H59O3P/c1-15-17-18-25(16-2)24-38-41-39-32-26(20-28(34(3,4)5)22-30(32)36(9,10)11)19-27-21-29(35(6,7)8)23-31(33(27)40-41)37(12,13)14/h20-23,25H,15-19,24H2,1-14H3",LOMJGCFEVIUZMW-UHFFFAOYSA-N,C37H59O3P,582.8,582.4201827,13.5,27.7,741,0,0,3,11,41,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
BLEOMYCIN HYDROCLORIDE,067763-87-5,20832750,"3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S,3R)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[(2R,3S,4S,5S,6S)-3-[(2R,3S,4S,5R,6R)-4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium;hydrochloride",CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O.Cl,"InChI=1S/C55H83N17O21S3.ClH/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6;/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88);1H/p+1/t21-,22+,23+,24-,25-,29-,30+,34-,35-,36-,37+,38+,39-,40-,41-,42-,43-,53+,54-;/m0./s1",BODDZCXQPQPRES-OYALTWQYSA-O,C55H85ClN17O21S3+,1452,1450.495659,,685,2580,1,21,31,36,97,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pregna-1,4,6-triene-3,20-dione, 6-chloro-11,17,21-trihydroxy-, (11-beta)-",5251-34-3,5284535,"(8S,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",C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C=C(C4=CC(=O)C=C[C@]34C)Cl)O,"InChI=1S/C21H25ClO5/c1-19-5-3-11(24)7-14(19)15(22)8-12-13-4-6-21(27,17(26)10-23)20(13,2)9-16(25)18(12)19/h3,5,7-8,12-13,16,18,23,25,27H,4,6,9-10H2,1-2H3/t12-,13-,16-,18+,19-,20-,21-/m0/s1",YTJIBEDMAQUYSZ-FDNPDPBUSA-N,C21H25ClO5,392.9,392.1390516,1.9,94.8,813,0,3,5,2,27,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
CICLESONIDE,126544-47-6,6918155,"[2-[(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-cyclohexyl-11-hydroxy-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] 2-methylpropanoate",CC(C)C(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)O[C@H](O2)C6CCCCC6,"InChI=1S/C32H44O7/c1-18(2)28(36)37-17-25(35)32-26(38-29(39-32)19-8-6-5-7-9-19)15-23-22-11-10-20-14-21(33)12-13-30(20,3)27(22)24(34)16-31(23,32)4/h12-14,18-19,22-24,26-27,29,34H,5-11,15-17H2,1-4H3/t22-,23-,24-,26+,27+,29+,30-,31-,32+/m0/s1",LUKZNWIVRBCLON-GXOBDPJESA-N,C32H44O7,540.7,540.3087037,5.3,99.1,1100,0,1,7,6,39,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"Luteinizing hormone-releasing factor (pig), 6-D-tryptophan-9-(N-ethyl-L-prolin",057773-65-6,25077495,(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide,CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8,"InChI=1S/C64H83N17O12/c1-4-68-62(92)53-16-10-24-81(53)63(93)46(15-9-23-69-64(65)66)74-56(86)47(25-35(2)3)75-58(88)49(27-37-30-70-43-13-7-5-11-41(37)43)77-57(87)48(26-36-17-19-40(83)20-18-36)76-61(91)52(33-82)80-59(89)50(28-38-31-71-44-14-8-6-12-42(38)44)78-60(90)51(29-39-32-67-34-72-39)79-55(85)45-21-22-54(84)73-45/h5-8,11-14,17-20,30-32,34-35,45-53,70-71,82-83H,4,9-10,15-16,21-29,33H2,1-3H3,(H,67,72)(H,68,92)(H,73,84)(H,74,86)(H,75,88)(H,76,91)(H,77,87)(H,78,90)(H,79,85)(H,80,89)(H4,65,66,69)/t45-,46-,47-,48-,49+,50-,51-,52-,53-/m0/s1",GJKXGJCSJWBJEZ-XRSSZCMZSA-N,C64H83N17O12,1282.4,1281.640711,1.1,447,2610,0,16,14,32,93,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"2-Furancarboxylic acid, (6-alpha,11-beta,16-alpha,17-alpha)-6,9-difluoro-17-(((fluoromethyl)thio)carbonyl)-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl ester",397864-44-7,9854489,"[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate",C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)SCF)OC(=O)C5=CC=CO5)C)O)F)C)F,"InChI=1S/C27H29F3O6S/c1-14-9-16-17-11-19(29)18-10-15(31)6-7-24(18,2)26(17,30)21(32)12-25(16,3)27(14,23(34)37-13-28)36-22(33)20-5-4-8-35-20/h4-8,10,14,16-17,19,21,32H,9,11-13H2,1-3H3/t14-,16+,17+,19+,21+,24+,25+,26+,27+/m1/s1",XTULMSXFIHGYFS-VLSRWLAYSA-N,C27H29F3O6S,538.6,538.1636943,4.8,119,1080,0,1,10,6,37,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
HALOSULFURON METHYL,100784-20-1,91763,"methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate",CN1C(=C(C(=N1)Cl)C(=O)OC)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC,"InChI=1S/C13H15ClN6O7S/c1-20-10(8(9(14)18-20)11(21)27-4)28(23,24)19-13(22)17-12-15-6(25-2)5-7(16-12)26-3/h5H,1-4H3,(H2,15,16,17,19,22)",FMGZEUWROYGLAY-UHFFFAOYSA-N,C13H15ClN6O7S,434.81,434.0411457,1.3,172,665,0,2,10,7,28,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"1H-Pyrazole-4-carboxylic acid, 5-(((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-1-methyl-, ethyl ester",93697-74-6,91750,"ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate",CCOC(=O)C1=C(N(N=C1)C)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC,"InChI=1S/C14H18N6O7S/c1-5-27-12(21)8-7-15-20(2)11(8)28(23,24)19-14(22)18-13-16-9(25-3)6-10(17-13)26-4/h6-7H,5H2,1-4H3,(H2,16,17,18,19,22)",BGNQYGRXEXDAIQ-UHFFFAOYSA-N,C14H18N6O7S,414.4,414.0957681,0.7,172,645,0,2,10,8,28,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DISODIUM OCTABORATE TETRAHYDRATE,012280-03-4,90478478,"disodium;(9,11-dioxido-5-oxoboranyloxy-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexaborabicyclo[5.5.1]tridecan-3-yl)oxy-oxoborane;tetrahydrate",B(=O)OB1OB2OB(OB(OB(O2)OB(O1)OB=O)[O-])[O-].O.O.O.O.[Na+].[Na+],InChI=1S/B8O13.2Na.4H2O/c9-1-13-5-18-6(14-2-10)20-8-17-4(12)15-3(11)16-7(19-5)21-8;;;;;;/h;;;4*1H2/q-2;2*+1;;;;,RDMZIKMKSGCBKK-UHFFFAOYSA-N,B8H8Na2O17,412.5,413.0337604,,167,319,0,4,17,2,27,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"4(1H)-Pyrimidinone, 2-amino-5-bromo-6-phenyl-",056741-95-8,135413497,2-amino-5-bromo-4-phenyl-1H-pyrimidin-6-one,C1=CC=C(C=C1)C2=C(C(=O)NC(=N2)N)Br,"InChI=1S/C10H8BrN3O/c11-7-8(6-4-2-1-3-5-6)13-10(12)14-9(7)15/h1-5H,(H3,12,13,14,15)",CIUUIPMOFZIWIZ-UHFFFAOYSA-N,C10H8BrN3O,266.09,264.98507,1.2,67.5,343,0,2,2,1,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"1H-Pyrazole-4-carboxamide, N-(3',4'-dichloro-5-fluoro(1,1'-biphenyl)-2-yl)-3-(difluoromethyl)-1-methyl-",581809-46-3,11434448,"N-[2-(3,4-dichlorophenyl)-4-fluorophenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide",CN1C=C(C(=N1)C(F)F)C(=O)NC2=C(C=C(C=C2)F)C3=CC(=C(C=C3)Cl)Cl,"InChI=1S/C18H12Cl2F3N3O/c1-26-8-12(16(25-26)17(22)23)18(27)24-15-5-3-10(21)7-11(15)9-2-4-13(19)14(20)6-9/h2-8,17H,1H3,(H,24,27)",LDLMOOXUCMHBMZ-UHFFFAOYSA-N,C18H12Cl2F3N3O,414.2,413.0309519,4.7,46.9,530,0,1,5,4,27,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H-Indol-2-one, 5-(2-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)ethyl)-6-chloro-1,3-dihydro-, monohydrochloride",122883-93-6,219099,"5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;hydrochloride",C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54.Cl,"InChI=1S/C21H21ClN4OS.ClH/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21;/h1-4,11,13H,5-10,12H2,(H,23,27);1H",NZDBKBRIBJLNNT-UHFFFAOYSA-N,C21H22Cl2N4OS,449.4,448.0891379,,76.7,573,0,2,5,4,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,1,1
"Benzamide, N-((4-(2-(dimethylamino)ethoxy)phenyl)methyl)-3,4-dimethoxy-, monoh",122892-31-3,129791,"N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4-dimethoxybenzamide;hydrochloride",CN(C)CCOC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)OC)OC.Cl,"InChI=1S/C20H26N2O4.ClH/c1-22(2)11-12-26-17-8-5-15(6-9-17)14-21-20(23)16-7-10-18(24-3)19(13-16)25-4;/h5-10,13H,11-12,14H2,1-4H3,(H,21,23);1H",ZTOUXLLIPWWHSR-UHFFFAOYSA-N,C20H27ClN2O4,394.9,394.165935,,60,411,0,2,5,9,27,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,2-DIOXAPHOSPHORINANE, 5,5-DIMETHYL-2-PHENOXY-",003057-08-7,76464,"5,5-dimethyl-2-phenoxy-1,3,2-dioxaphosphinane",CC1(COP(OC1)OC2=CC=CC=C2)C,"InChI=1S/C11H15O3P/c1-11(2)8-12-15(13-9-11)14-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3",JSVDMQKVGLGYCM-UHFFFAOYSA-N,C11H15O3P,226.21,226.0758813,2.9,27.7,192,0,0,3,2,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Piperidinepropanol, alpha-cyclohexyl-alpha-phenyl-, hydrochloride",52-49-3,66007,1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrochloride,C1CCC(CC1)C(CCN2CCCCC2)(C3=CC=CC=C3)O.Cl,"InChI=1S/C20H31NO.ClH/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21;/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2;1H",QDWJJTJNXAKQKD-UHFFFAOYSA-N,C20H32ClNO,337.9,337.2172423,,23.5,314,0,2,2,5,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Tubocurarine, dichloride, pentahydrate, (+)-",6989-98-6,23422,"(1S,16R)-10,25-dimethoxy-15,15,30-trimethyl-7,23-dioxa-30-aza-15-azoniaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene-9,21-diol;chloride;pentahydrate;hydrochloride",CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC.O.O.O.O.O.Cl.[Cl-],"InChI=1S/C37H40N2O6.2ClH.5H2O/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33;;;;;;;/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41);2*1H;5*1H2/t28-,29+;;;;;;;/m0......./s1",WMIZITXEJNQAQK-GGDSLZADSA-N,C37H52Cl2N2O11,771.7,770.2948159,,85.6,990,0,8,13,2,52,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 2,2'-methylenebis(4-methyl-6-(1-methylcyclohexyl)-",77-62-3,6486,2-[[2-hydroxy-5-methyl-3-(1-methylcyclohexyl)phenyl]methyl]-4-methyl-6-(1-methylcyclohexyl)phenol,CC1=CC(=C(C(=C1)C2(CCCCC2)C)O)CC3=C(C(=CC(=C3)C)C4(CCCCC4)C)O,"InChI=1S/C29H40O2/c1-20-15-22(26(30)24(17-20)28(3)11-7-5-8-12-28)19-23-16-21(2)18-25(27(23)31)29(4)13-9-6-10-14-29/h15-18,30-31H,5-14,19H2,1-4H3",PHXLONCQBNATSL-UHFFFAOYSA-N,C29H40O2,420.6,420.3028305,10,40.5,523,0,2,2,4,31,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propanol, 1-(2-cyclopentylphenoxy)-3-((1,1-dimethylethyl)amino)-, (S)-,sulfate (2:1) (salt)",38363-32-5,38010,bis((2S)-1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol);sulfuric acid,CC(C)(C)NC[C@@H](COC1=CC=CC=C1C2CCCC2)O.CC(C)(C)NC[C@@H](COC1=CC=CC=C1C2CCCC2)O.OS(=O)(=O)O,"InChI=1S/2C18H29NO2.H2O4S/c2*1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14;1-5(2,3)4/h2*6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3;(H2,1,2,3,4)/t2*15-;/m00./s1",FEDSNBHHWZEYTP-ZFQYHYQMSA-N,C36H60N2O8S,680.9,680.4070381,,166,375,0,6,10,14,47,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"Glucopyranoside, 1-hydroxy-2-anthraquinonyl 6-O-beta-D-xylopyranosyl-, beta-D-",152-84-1,92101,"1-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione",C1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)O)O)O)O)O)O)O,"InChI=1S/C25H26O13/c26-12-7-35-24(22(33)18(12)29)36-8-14-20(31)21(32)23(34)25(38-14)37-13-6-5-11-15(19(13)30)17(28)10-4-2-1-3-9(10)16(11)27/h1-6,12,14,18,20-26,29-34H,7-8H2/t12-,14-,18+,20-,21+,22-,23-,24+,25-/m1/s1",GCGGSVAWTYHZBI-CVQRFVFPSA-N,C25H26O13,534.5,534.1373409,-1.2,213,870,0,7,13,5,38,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"6a-alpha-Aporphin-11-ol, 10-methoxy-1,2-(methylenedioxy)-",298-45-3,12441,"(12S)-17-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-18-ol",CN1CCC2=CC3=C(C4=C2[C@@H]1CC5=C4C(=C(C=C5)OC)O)OCO3,"InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3/t12-/m0/s1",LODGIKWNLDQZBM-LBPRGKRZSA-N,C19H19NO4,325.4,325.1314081,2.9,51.2,488,0,1,5,1,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-alpha-Card-20(22)-enolide, 3-beta-((6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-14-hydroxy-",20231-81-6,10372544,"3-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one",C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O,"InChI=1S/C35H54O14/c1-33-8-5-18(46-32-30(28(42)26(40)23(14-37)48-32)49-31-29(43)27(41)25(39)22(13-36)47-31)12-17(33)3-4-21-20(33)6-9-34(2)19(7-10-35(21,34)44)16-11-24(38)45-15-16/h11,17-23,25-32,36-37,39-44H,3-10,12-15H2,1-2H3/t17-,18-,19+,20-,21+,22+,23+,25+,26+,27-,28-,29+,30+,31-,32+,33-,34+,35-/m0/s1",RIPMDUQTRRLJTE-QHYHXNCWSA-N,C35H54O14,698.8,698.3513564,0,225,1260,0,8,14,7,49,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"Butyric acid, 2-methyl-, 9-ester with 9,10-dihydro-9,10-dihydroxy-8,8-dimethyl-2H,8H-benzo(1,2-b:3,4-b')dipyran-2-one-acetate",477-32-7,442151,"[(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] (2R)-2-methylbutanoate",CC[C@@H](C)C(=O)O[C@@H]1[C@@H](C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C,"InChI=1S/C21H24O7/c1-6-11(2)20(24)27-19-18(25-12(3)22)16-14(28-21(19,4)5)9-7-13-8-10-15(23)26-17(13)16/h7-11,18-19H,6H2,1-5H3/t11-,18-,19-/m1/s1",GVBNSPFBYXGREE-CXWAGAITSA-N,C21H24O7,388.4,388.1522031,3.4,88.1,668,0,0,7,6,28,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"6H-Dibenzo(a,g)quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-",10097-84-4,5417,"2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline",COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC,"InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3",AEQDJSLRWYMAQI-UHFFFAOYSA-N,C21H25NO4,355.4,355.1783583,3.2,40.2,475,0,0,5,4,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"11H-Dibenzo(b,e)(1,4)dioxepin-7-carboxylic acid, 4-formyl-3,8-dihydroxy-9-(hydroxymethyl)-1,6-dimethyl-11-oxo-",489-51-0,5489486,"10-formyl-3,9-dihydroxy-4-(hydroxymethyl)-1,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid",CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3CO)O)C(=O)O)C)C=O)O,"InChI=1S/C18H14O9/c1-6-3-10(21)8(4-19)15-11(6)18(25)27-16-9(5-20)13(22)12(17(23)24)7(2)14(16)26-15/h3-4,20-22H,5H2,1-2H3,(H,23,24)",VOXMONAUSQZPTP-UHFFFAOYSA-N,C18H14O9,374.3,374.063782,2.2,151,608,0,4,9,3,27,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Isonicotinic acid, (3,4-dimethoxybenzylidene)hydrazide",,9574235,"N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide",COC1=C(C=C(C=C1)/C=N/NC(=O)C2=CC=NC=C2)OC,"InChI=1S/C15H15N3O3/c1-20-13-4-3-11(9-14(13)21-2)10-17-18-15(19)12-5-7-16-8-6-12/h3-10H,1-2H3,(H,18,19)/b17-10+",HPXIKMBHOXLFOR-LICLKQGHSA-N,C15H15N3O3,285.3,285.1113414,1.7,72.8,356,0,1,5,5,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Indolinethione, 1-methyl-",13637-38-2,26156,1-methyl-3H-indole-2-thione,CN1C(=S)CC2=CC=CC=C21,"InChI=1S/C9H9NS/c1-10-8-5-3-2-4-7(8)6-9(10)11/h2-5H,6H2,1H3",GBSPZRWQIJCQQB-UHFFFAOYSA-N,C9H9NS,163.24,163.0455705,1.6,35.3,178,0,0,1,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Gelsemine,509-15-9,5390854,"(1'R,2'S,3S,5'S,6'S,8'R,11'S)-2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one",CN1C[C@]2([C@@H]3C[C@@H]4[C@]5([C@H]2[C@H]1[C@H]3CO4)C6=CC=CC=C6NC5=O)C=C,"InChI=1S/C20H22N2O2/c1-3-19-10-22(2)16-11-9-24-15(8-13(11)19)20(17(16)19)12-6-4-5-7-14(12)21-18(20)23/h3-7,11,13,15-17H,1,8-10H2,2H3,(H,21,23)/t11-,13+,15+,16+,17-,19-,20-/m0/s1",NFYYATWFXNPTRM-QJICHLCESA-N,C20H22N2O2,322.4,322.1681279,1.8,41.6,635,0,1,3,1,24,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 4-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)-2-(4-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)-, (R-(R*,R*))-",524-17-4,73400,"4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenol",CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC)OC,"InChI=1S/C38H44N2O6/c1-39-15-13-26-20-35(42-3)37(44-5)22-29(26)31(39)17-24-7-10-28(11-8-24)46-34-19-25(9-12-33(34)41)18-32-30-23-38(45-6)36(43-4)21-27(30)14-16-40(32)2/h7-12,19-23,31-32,41H,13-18H2,1-6H3/t31-,32-/m1/s1",AQASRZOCERRGBL-ROJLCIKYSA-N,C38H44N2O6,624.8,624.3199371,6.7,72.9,933,0,1,8,10,46,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H,3H-Furo(3,4-c)furan, 1,4-bis(3,4-dimethoxyphenyl)tetrahydro-, (1R,3aS,4S,6aS)-",3/5/75,234823,"3,6-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan",COC1=C(C=C(C=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)OC)OC)OC,"InChI=1S/C22H26O6/c1-23-17-7-5-13(9-19(17)25-3)21-15-11-28-22(16(15)12-27-21)14-6-8-18(24-2)20(10-14)26-4/h5-10,15-16,21-22H,11-12H2,1-4H3",PEUUVVGQIVMSAW-UHFFFAOYSA-N,C22H26O6,386.4,386.1729385,2.9,55.4,457,0,0,6,6,28,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-5-hydroxy-",552-66-9,107971,"3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one",C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O,"InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1",KYQZWONCHDNPDP-QNDFHXLGSA-N,C21H20O9,416.4,416.1107322,0.7,146,644,0,5,9,4,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridine, 2-methyl-6-((E)-2-phenylethenyl)-",6266-99-5,5311432,2-methyl-6-[(E)-2-phenylethenyl]pyridine,CC1=NC(=CC=C1)/C=C/C2=CC=CC=C2,"InChI=1S/C14H13N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-11H,1H3/b11-10+",SISOFUCTXZKSOQ-ZHACJKMWSA-N,C14H13N,195.26,195.1047994,3.6,12.9,203,0,0,1,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,4-Triazol-5-one, 3-nitro-",932-64-9,135406868,"3-nitro-1,4-dihydro-1,2,4-triazol-5-one",C1(=O)NC(=NN1)[N+](=O)[O-],"InChI=1S/C2H2N4O3/c7-2-3-1(4-5-2)6(8)9/h(H2,3,4,5,7)",QJTIRVUEVSKJTK-UHFFFAOYSA-N,C2H2N4O3,130.06,130.0126899,-0.5,99.3,190,0,2,4,0,9,,Undergoes thermal degradation at temperatures above its melting point,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,1,3-Benzoselenadiazole, 5-methyl-",1123-91-7,96824,"5-methyl-2,1,3-benzoselenadiazole",CC1=CC2=N[Se]N=C2C=C1,"InChI=1S/C7H6N2Se/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3",IZEMMCAMXBKLDP-UHFFFAOYSA-N,C7H6N2Se,197.11,197.96962,,25.8,129,0,0,2,0,10,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"7H-Pyrrolo(2,3-d)pyrimidine, 4-amino-",1500-85-2,5359620,"7H-pyrrolo[2,3-d]pyrimidin-4-amine",C1=CNC2=NC=NC(=C21)N,"InChI=1S/C6H6N4/c7-5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H3,7,8,9,10)",PEHVGBZKEYRQSX-UHFFFAOYSA-N,C6H6N4,134.14,134.0592462,0.3,67.6,127,0,2,3,0,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"7H-Pyrrolo(2,3-d)pyrimidine, 4-chloro-",3680-69-1,5356682,"4-chloro-7H-pyrrolo[2,3-d]pyrimidine",C1=CNC2=C1C(=NC=N2)Cl,"InChI=1S/C6H4ClN3/c7-5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H,8,9,10)",BPTCCCTWWAUJRK-UHFFFAOYSA-N,C6H4ClN3,153.57,153.0093748,1.6,41.6,130,0,1,2,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Butyrophenone, 4'-fluoro-4-(4-methylpiperidino)-, hydrochloride",1622-79-3,9926325,1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)butan-1-one;hydrochloride,CC1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F.Cl,"InChI=1S/C16H22FNO.ClH/c1-13-8-11-18(12-9-13)10-2-3-16(19)14-4-6-15(17)7-5-14;/h4-7,13H,2-3,8-12H2,1H3;1H",MQHYXXIJLKFQGY-UHFFFAOYSA-N,C16H23ClFNO,299.81,299.1452202,,20.3,278,0,1,3,5,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Theophylline, 8-benzyl-",2879-15-4,73001,"8-benzyl-1,3-dimethyl-7H-purine-2,6-dione",CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CC3=CC=CC=C3,"InChI=1S/C14H14N4O2/c1-17-12-11(13(19)18(2)14(17)20)15-10(16-12)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,15,16)",SWKGFZTXWQMFLK-UHFFFAOYSA-N,C14H14N4O2,270.29,270.1116757,2.5,69.3,408,0,1,3,2,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyrimidine, 2-(4-piperonyl-1-piperazinyl)-, methanesulfonate",52293-23-9,198284,"2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine;methanesulfonic acid",CS(=O)(=O)O.C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=CC=N4,"InChI=1S/C16H18N4O2.CH4O3S/c1-4-17-16(18-5-1)20-8-6-19(7-9-20)11-13-2-3-14-15(10-13)22-12-21-14;1-5(2,3)4/h1-5,10H,6-9,11-12H2;1H3,(H,2,3,4)",DEZKFCIOSKCCHK-UHFFFAOYSA-N,C17H22N4O5S,394.4,394.131091,,113,449,0,1,9,3,27,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,1
"Pyridine, 2-(1-(2-(2-(dimethylamino)ethyl)inden-3-yl)ethyl)-, maleate (1:1)",3614-69-5,5282414,"(Z)-but-2-enedioic acid;N,N-dimethyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine",CC(C1=CC=CC=N1)C2=C(CC3=CC=CC=C32)CCN(C)C.C(=C\C(=O)O)\C(=O)O,"InChI=1S/C20H24N2.C4H4O4/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20;5-3(6)1-2-4(7)8/h4-10,12,15H,11,13-14H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-",SWECWXGUJQLXJF-BTJKTKAUSA-N,C24H28N2O4,408.5,408.2049074,,90.7,517,0,2,6,7,30,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H-Indol-2-one, 3-((4-(dimethylamino)phenyl)methylene)-1,3-dihydro-",7/7/12,3135,3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one,CN(C)C1=CC=C(C=C1)C=C2C3=CC=CC=C3NC2=O,"InChI=1S/C17H16N2O/c1-19(2)13-9-7-12(8-10-13)11-15-14-5-3-4-6-16(14)18-17(15)20/h3-11H,1-2H3,(H,18,20)",UAKWLVYMKBWHMX-UHFFFAOYSA-N,C17H16N2O,264.32,264.1262631,3,32.3,394,0,1,2,2,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Strychnine, 19-oxide",7248-28-4,73393,"(4aR,5aS,8aS,13aS,15aS,15bR)-6-oxido-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-6-ium-14-one",C1C[N+]2(CC3=CCO[C@H]4CC(=O)N5[C@H]6[C@H]4[C@H]3C[C@H]2[C@@]61C7=CC=CC=C75)[O-],"InChI=1S/C21H22N2O3/c24-18-10-16-19-13-9-17-21(6-7-23(17,25)11-12(13)5-8-26-16)14-3-1-2-4-15(14)22(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+,23?/m0/s1",ADTDBAKUQAKBGZ-VXJIXCKJSA-N,C21H22N2O3,350.4,350.1630426,1.4,47.6,737,0,0,3,0,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Piperidinium, 1,1-dimethyl-4-hydroxy-, bromide, 3-methyl-2-phenylvalerate",100337-30-2,3063272,"(1,1-dimethylpiperidin-1-ium-4-yl) 3-methyl-2-phenylpentanoate bromide",CCC(C)C(C1=CC=CC=C1)C(=O)OC2CC[N+](CC2)(C)C.[Br-],"InChI=1S/C19H30NO2.BrH/c1-5-15(2)18(16-9-7-6-8-10-16)19(21)22-17-11-13-20(3,4)14-12-17;/h6-10,15,17-18H,5,11-14H2,1-4H3;1H/q+1;/p-1",KYOYDSSHIFXLMW-UHFFFAOYSA-M,C19H30BrNO2,384.4,383.14599,,26.3,350,0,0,3,6,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propane, 1-(benzyloxy)-2,3-epoxy-, (R)-",16495-13-9,146296,(2S)-2-(phenylmethoxymethyl)oxirane,C1[C@H](O1)COCC2=CC=CC=C2,"InChI=1S/C10H12O2/c1-2-4-9(5-3-1)6-11-7-10-8-12-10/h1-5,10H,6-8H2/t10-/m1/s1",QNYBOILAKBSWFG-SNVBAGLBSA-N,C10H12O2,164.2,164.0837296,1.3,21.8,130,0,0,2,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperidinium, 1,1'-(2-beta,16-beta-(3-alpha,17-beta-dihydroxy-5-alpha-androstanylene))bis(1-methyl-, dibromide, 3-alpha-acetate",27115-86-2,14029396,"[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-hydroxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate dibromide",CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1[N+]4(CCCCC4)C)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5O)[N+]6(CCCCC6)C)C.[Br-].[Br-],"InChI=1S/C33H58N2O3.2BrH/c1-23(36)38-30-20-24-12-13-25-26(33(24,3)22-29(30)35(5)18-10-7-11-19-35)14-15-32(2)27(25)21-28(31(32)37)34(4)16-8-6-9-17-34;;/h24-31,37H,6-22H2,1-5H3;2*1H/q+2;;/p-2/t24-,25+,26-,27-,28-,29-,30-,31-,32-,33-;;/m0../s1",SUKULMJPMHYWKC-GMMLHHOXSA-L,C33H58Br2N2O3,690.6,690.27937,,46.5,895,0,1,5,4,40,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"beta-D-Galactopyranoside, (3-beta,4-alpha,16-beta)-13,28-epoxy-16,23-dihydroxyolean-11-en-3-yl 6-deoxy-3-O-beta-D-glucopyranosyl-",20736-09-8,167928,"(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[[(1S,2S,4S,5R,8R,9R,10S,13S,14R,17S,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol",C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@H]([C@]2(C)CO)CC[C@@]4([C@@H]3C=C[C@@]56[C@]4(C[C@@H]([C@@]7([C@H]5CC(CC7)(C)C)CO6)O)C)C)C)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23-,24-,25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,37+,38+,39-,40+,41-,42+/m1/s1",KYWSCMDFVARMPN-MSSMMRRTSA-N,C42H68O13,781,780.4659922,2.5,208,1490,0,8,13,6,55,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrano(3,2-a)carbazole, 3,11-dihydro-8-methoxy-3,3,5-trimethyl-",21087-98-9,97487,"8-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole",CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=C2C=C(C=C4)OC,"InChI=1S/C19H19NO2/c1-11-9-15-14-10-12(21-4)5-6-16(14)20-17(15)13-7-8-19(2,3)22-18(11)13/h5-10,20H,1-4H3",OSERHKINMDLESD-UHFFFAOYSA-N,C19H19NO2,293.4,293.1415788,4.6,34.3,460,0,1,2,1,22,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Pyrimidine, 1,4,5,6-tetrahydro-1-methyl-2-(2-(2-thienyl)vinyl)-, (E)-, tartrate (1:1)",33401-94-4,6434144,"(2R,3R)-2,3-dihydroxybutanedioic acid;1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine",CN1CCCN=C1/C=C/C2=CC=CS2.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,"InChI=1S/C11H14N2S.C4H6O6/c1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10;5-1(3(7)8)2(6)4(9)10/h2,4-6,9H,3,7-8H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/b6-5+;/t;1-,2-/m.1/s1",VWRCYAZJKNPEQR-NIEARKAZSA-N,C15H20N2O6S,356.4,356.1042075,,159,381,0,4,8,5,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Piperidine, 5-nitro-2-pyridyl-",26820-61-1,97158,5-nitro-2-piperidin-1-ylpyridine,C1CCN(CC1)C2=NC=C(C=C2)[N+](=O)[O-],"InChI=1S/C10H13N3O2/c14-13(15)9-4-5-10(11-8-9)12-6-2-1-3-7-12/h4-5,8H,1-3,6-7H2",RQPFYHQIEVITPC-UHFFFAOYSA-N,C10H13N3O2,207.23,207.1007767,2,62,223,0,0,4,1,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzeneacetamide, alpha-(acetyloxy)-N-(phenylmethyl)-",,5158023,[2-(benzylamino)-2-oxo-1-phenylethyl] acetate,CC(=O)OC(C1=CC=CC=C1)C(=O)NCC2=CC=CC=C2,"InChI=1S/C17H17NO3/c1-13(19)21-16(15-10-6-3-7-11-15)17(20)18-12-14-8-4-2-5-9-14/h2-11,16H,12H2,1H3,(H,18,20)",HZUAABDZTNOQFU-UHFFFAOYSA-N,C17H17NO3,283.32,283.1208434,2.7,55.4,344,0,1,3,6,21,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Furanilide, 2,4,5-trimethyl-",28730-17-8,34313,"2,4,5-trimethyl-N-phenylfuran-3-carboxamide",CC1=C(OC(=C1C(=O)NC2=CC=CC=C2)C)C,"InChI=1S/C14H15NO2/c1-9-10(2)17-11(3)13(9)14(16)15-12-7-5-4-6-8-12/h4-8H,1-3H3,(H,15,16)",ZWJNEYVWPYIKMB-UHFFFAOYSA-N,C14H15NO2,229.27,229.1102787,3,42.2,273,0,1,2,2,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Oxazolidinone, 5-hydroxymethyl-3-phenyl-",29218-21-1,207132,"5-(hydroxymethyl)-3-phenyl-1,3-oxazolidin-2-one",C1C(OC(=O)N1C2=CC=CC=C2)CO,"InChI=1S/C10H11NO3/c12-7-9-6-11(10(13)14-9)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2",WHXUEJAEOKJMAD-UHFFFAOYSA-N,C10H11NO3,193.2,193.0738932,0.8,49.8,213,0,1,3,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Oxazolidinone, 5-hydroxymethyl-3-(m-tolyl)-",29218-27-7,34521,"5-(hydroxymethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one",CC1=CC(=CC=C1)N2CC(OC2=O)CO,"InChI=1S/C11H13NO3/c1-8-3-2-4-9(5-8)12-6-10(7-13)15-11(12)14/h2-5,10,13H,6-7H2,1H3",MXUNKHLAEDCYJL-UHFFFAOYSA-N,C11H13NO3,207.23,207.0895433,1.2,49.8,244,0,1,3,2,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2(1H)-Pyridinone, 6-cyclohexyl-1-hydroxy-4-methyl-",29342-05-0,2749,6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one,CC1=CC(=O)N(C(=C1)C2CCCCC2)O,"InChI=1S/C12H17NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3",SCKYRAXSEDYPSA-UHFFFAOYSA-N,C12H17NO2,207.27,207.1259288,2,40.5,325,0,1,2,1,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"v-Trithiane, 5-(dimethylamino)-, oxalate",31895-22-4,35969,"N,N-dimethyltrithian-5-amine;oxalic acid",CN(C)C1CSSSC1.C(=O)(C(=O)O)O,"InChI=1S/C5H11NS3.C2H2O4/c1-6(2)5-3-7-9-8-4-5;3-1(4)2(5)6/h5H,3-4H2,1-2H3;(H,3,4)(H,5,6)",ICTQUFQQEYSGGJ-UHFFFAOYSA-N,C7H13NO4S3,271.4,271.0006714,,154,152,0,2,8,2,15,,,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"10H-Benzo(4,5)cyclohepta(1,2-b)thiophen-10-one, 4,9-dihydro-4-(1-methyl-4-piperidinylidene)-, (E)-2-butenedioate (1:1)",34580-14-8,5282408,"(E)-but-2-enedioic acid;2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one",CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1.C(=C/C(=O)O)\C(=O)O,"InChI=1S/C19H19NOS.C4H4O4/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19;5-3(6)1-2-4(7)8/h2-5,8,11H,6-7,9-10,12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+",YNQQEYBLVYAWNX-WLHGVMLRSA-N,C23H23NO5S,425.5,425.129694,,123,595,0,2,7,2,30,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Thieno(2,3-d)pyrimidin-4(1H)-one, 5-phenyl-",35978-39-3,215639,"5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one",C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC=N3,"InChI=1S/C12H8N2OS/c15-11-10-9(8-4-2-1-3-5-8)6-16-12(10)14-7-13-11/h1-7H,(H,13,14,15)",OLGMRBGIXZANNV-UHFFFAOYSA-N,C12H8N2OS,228.27,228.0357341,2.3,69.7,312,0,1,3,1,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperidinium, 1-(3-alpha,17-beta-diacetoxy-2-beta-piperidino-5-alpha-androstan-16-beta-yl)-1-methyl-, bromide",50700-72-6,39764,"[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate bromide",CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1N4CCCCC4)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)[N+]6(CCCCC6)C)C.[Br-],"InChI=1S/C34H57N2O4.BrH/c1-23(37)39-31-20-25-12-13-26-27(34(25,4)22-29(31)35-16-8-6-9-17-35)14-15-33(3)28(26)21-30(32(33)40-24(2)38)36(5)18-10-7-11-19-36;/h25-32H,6-22H2,1-5H3;1H/q+1;/p-1/t25-,26+,27-,28-,29-,30-,31-,32-,33-,34-;/m0./s1",VEPSYABRBFXYIB-PWXDFCLTSA-M,C34H57BrN2O4,637.7,636.35017,,55.8,958,0,0,6,6,41,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Purine-2,6-dione, 3,4-dihydro-8-(2-(3,4,5-trimethoxyphenyl)ethenyl)-, (E)-",51389-37-8,6445882,"1,3,7-trimethyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-dione",CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)/C=C/C3=CC(=C(C(=C3)OC)OC)OC,"InChI=1S/C19H22N4O5/c1-21-14(20-17-15(21)18(24)23(3)19(25)22(17)2)8-7-11-9-12(26-4)16(28-6)13(10-11)27-5/h7-10H,1-6H3/b8-7+",KIAYWZXEAJWSGJ-BQYQJAHWSA-N,C19H22N4O5,386.4,386.1590198,1.8,86.1,615,0,0,6,5,28,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
Ginsenoside RF,52286-58-5,441922,"(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-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]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol",CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O)C)O)C,"InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,52)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-37-34(32(50)30(48)25(19-44)55-37)56-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36-,37+,39+,40+,41+,42-/m0/s1",UZIOUZHBUYLDHW-XUBRWZAZSA-N,C42H72O14,801,800.492207,2.7,239,1410,0,10,14,10,56,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Antibiotic A 22082,54651-05-7,9898144,"(9Z,12Z)-N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]octadeca-9,12-dienamide",CCCCC/C=C\C/C=C\CCCCCCCC(=O)N[C@H]1C[C@H]([C@H](NC(=O)[C@@H]2[C@H]([C@H](CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)O)[C@@H]([C@H](C4=CC=C(C=C4)O)O)O)[C@@H](C)O)C)O)O)O,"InChI=1S/C52H81N7O16/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-38(65)53-35-26-37(64)48(71)57-50(73)42-43(66)29(2)27-59(42)52(75)40(31(4)61)55-49(72)41(45(68)44(67)32-21-23-33(62)24-22-32)56-47(70)36-25-34(63)28-58(36)51(74)39(30(3)60)54-46(35)69/h9-10,12-13,21-24,29-31,34-37,39-45,48,60-64,66-68,71H,5-8,11,14-20,25-28H2,1-4H3,(H,53,65)(H,54,69)(H,55,72)(H,56,70)(H,57,73)/b10-9-,13-12-/t29-,30+,31+,34+,35-,36-,37+,39-,40-,41-,42-,43-,44-,45-,48+/m0/s1",FAUOJMHVEYMQQG-HVYQDZECSA-N,C52H81N7O16,1060.2,1059.57398,2.5,368,1940,0,14,16,20,75,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0
"Benzamide, N-(5-nitro-2-thiazolyl)-",64398-84-1,47359,"N-(5-nitro-1,3-thiazol-2-yl)benzamide",C1=CC=C(C=C1)C(=O)NC2=NC=C(S2)[N+](=O)[O-],"InChI=1S/C10H7N3O3S/c14-9(7-4-2-1-3-5-7)12-10-11-6-8(17-10)13(15)16/h1-6H,(H,11,12,14)",TYUHMMUUMWZPDB-UHFFFAOYSA-N,C10H7N3O3S,249.25,249.0208123,3,116,302,0,1,5,2,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzeneacetic acid, 4-hydroxy-, ((2S,3aR,3bS,6aR,9aS,9bR,10R,11aR)-3a,3b,6,6a,9a,10,11,11a-octahydro-6a-hydroxy-8,10-dimethyl-11a-(1-methylethenyl)-7-oxo-2-(phenylmethyl)-7H-2,9b-epoxyazuleno(5,4-e)-1,3-benzodioxol-5-yl)methyl ester",58821-95-7,76972186,"[(1R,2R,6R,10S,11R,13S,15R,17R)-13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl]methyl 2-(4-hydroxyphenyl)acetate",C[C@@H]1C[C@]2([C@H]3[C@H]4[C@]1([C@@H]5C=C(C(=O)[C@]5(CC(=C4)COC(=O)CC6=CC=C(C=C6)O)O)C)O[C@](O3)(O2)CC7=CC=CC=C7)C(=C)C,"InChI=1S/C36H38O8/c1-21(2)34-17-23(4)36-28(32(34)42-35(43-34,44-36)19-25-8-6-5-7-9-25)15-26(18-33(40)29(36)14-22(3)31(33)39)20-41-30(38)16-24-10-12-27(37)13-11-24/h5-15,23,28-29,32,37,40H,1,16-20H2,2-4H3/t23-,28+,29-,32-,33-,34-,35-,36-/m1/s1",WWZMXEIBZCEIFB-ACAXUWNGSA-N,C36H38O8,598.7,598.2566682,4.5,112,1270,0,2,8,8,44,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3-Piperazinedione, 1-ethyl-",59702-31-7,108812,"1-ethylpiperazine-2,3-dione",CCN1CCNC(=O)C1=O,"InChI=1S/C6H10N2O2/c1-2-8-4-3-7-5(9)6(8)10/h2-4H2,1H3,(H,7,9)",ZBEKOEYCWKIMGU-UHFFFAOYSA-N,C6H10N2O2,142.16,142.0742276,-0.4,49.4,167,0,1,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, 4-methoxy-N-(2-(2-(1-methyl-2-piperidinyl)ethyl)phenyl)-, monohydrochloride, (+-)-",66794-74-9,48040,4-methoxy-N-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]benzamide;hydrochloride,CN1CCCCC1CCC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)OC.Cl,"InChI=1S/C22H28N2O2.ClH/c1-24-16-6-5-8-19(24)13-10-17-7-3-4-9-21(17)23-22(25)18-11-14-20(26-2)15-12-18;/h3-4,7,9,11-12,14-15,19H,5-6,8,10,13,16H2,1-2H3,(H,23,25);1H",OJIIZIWOLTYOBS-UHFFFAOYSA-N,C22H29ClN2O2,388.9,388.1917559,,41.6,434,0,2,3,6,27,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,6,7,8-Indolizinetetrol, octahydro-, (1S-(1-alpha,6-beta,7-alpha,8-beta,8a-beta))-",79831-76-8,54445,"(1S,6S,7R,8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol",C1CN2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)O,"InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4-,5-,6+,7+,8+/m0/s1",JDVVGAQPNNXQDW-TVNFTVLESA-N,C8H15NO4,189.21,189.100108,-2.2,84.2,201,0,4,5,0,13,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Toxin T-34,79580-28-2,10865865,"2-[[(1R,3S,5R,7S,9R,11S,12S,14R,16R,18S,20R,21Z,24S,26R,28S,30R,31R,33S,35R,37S,42R,44S,46R,48S)-12-hydroxy-1,3,11,24,31,41,44-heptamethyl-39-oxo-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-14-yl]methyl]prop-2-enal",C[C@@H]1C[C@H]2[C@@H](C[C@]3([C@H](O2)C[C@H]4[C@H](O3)C(=CC(=O)O4)C)C)O[C@@H]5[C@@H]1O[C@H]6C[C@@H]7[C@](C[C@@H]8[C@@](O7)(C/C=C\[C@@H]9[C@@H](O8)C[C@@H]1[C@@H](O9)C[C@@H]2[C@@](O1)([C@H](C[C@H](O2)CC(=C)C=O)O)C)C)(O[C@@]6(CC5)C)C,"InChI=1S/C50H70O14/c1-25(24-51)14-28-17-37(52)50(8)41(54-28)19-33-34(61-50)18-32-29(55-33)10-9-12-46(4)42(58-32)23-49(7)40(62-46)21-39-47(5,64-49)13-11-30-44(60-39)26(2)15-31-36(56-30)22-48(6)38(57-31)20-35-45(63-48)27(3)16-43(53)59-35/h9-10,16,24,26,28-42,44-45,52H,1,11-15,17-23H2,2-8H3/b10-9-/t26-,28-,29-,30+,31+,32+,33+,34-,35+,36-,37+,38-,39+,40-,41-,42-,44-,45-,46+,47-,48+,49+,50+/m1/s1",LYTCVQQGCSNFJU-FGRVLNGBSA-N,C50H70O14,895.1,894.4765569,3.7,156,1940,0,1,14,3,64,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Furancarboxamide, N-(3-((4-amino-6,7-dimethoxy-2-quinazolinyl)methylamino)propyl)tetrahydro-, monohydrochloride (+-)-",81403-68-1,71764,"N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide;hydrochloride",CN(CCCNC(=O)C1CCCO1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC.Cl,"InChI=1S/C19H27N5O4.ClH/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19;/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23);1H",YTNKWDJILNVLGX-UHFFFAOYSA-N,C19H28ClN5O4,425.9,425.1829821,,112,511,0,3,8,8,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Purine-2,6-dione, 3,7-dihydro-8-((2-hydroxyethyl)amino)-3-methyl-7-(2-phenoxyethyl)-",105522-57-4,3064731,"8-(2-hydroxyethylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione",CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCO)CCOC3=CC=CC=C3,"InChI=1S/C16H19N5O4/c1-20-13-12(14(23)19-16(20)24)21(15(18-13)17-7-9-22)8-10-25-11-5-3-2-4-6-11/h2-6,22H,7-10H2,1H3,(H,17,18)(H,19,23,24)",SMCLVHVZVVGNSQ-UHFFFAOYSA-N,C16H19N5O4,345.35,345.1437041,0.6,109,485,0,3,6,7,25,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Spiro(1-azabicyclo(2.2.2)octane-3,5'-(1,3)oxathiolane), 2'-methyl-, hydrochloride, trans-",107220-29-1,24846079,"(2S,5R)-2-methylspiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane];hydrochloride",C[C@H]1O[C@]2(CN3CCC2CC3)CS1.Cl,"InChI=1S/C10H17NOS.ClH/c1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11;/h8-9H,2-7H2,1H3;1H/t8-,10+;/m0./s1",SURWTGAXEIEOGY-KXNXZCPBSA-N,C10H18ClNOS,235.77,235.0797631,,37.8,215,0,1,3,0,14,,,0,0,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
Micotil 300,,5282522,"(4R,5S,6S,7R,9R,11E,13E,15R,16R)-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;phosphoric acid",CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)CCN3C[C@@H](C[C@@H](C3)C)C)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC.OP(=O)(O)O,"InChI=1S/C46H80N2O13.H3O4P/c1-13-36-33(24-57-46-44(56-12)43(55-11)40(53)31(8)59-46)19-25(2)14-15-34(49)28(5)20-32(16-17-48-22-26(3)18-27(4)23-48)42(29(6)35(50)21-37(51)60-36)61-45-41(54)38(47(9)10)39(52)30(7)58-45;1-5(2,3)4/h14-15,19,26-33,35-36,38-46,50,52-54H,13,16-18,20-24H2,1-12H3;(H3,1,2,3,4)/b15-14+,25-19+;/t26-,27+,28-,29+,30-,31-,32+,33-,35-,36-,38+,39-,40-,41-,42-,43-,44-,45+,46-;/m1./s1",NESIVXZOSKKUDP-ARVJLQODSA-N,C46H83N2O17P,967.1,966.5429362,,264,1470,0,7,19,12,66,,,1,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,0,0,1,0
"2-Thiophenepropanamine, N-methyl-gamma-(1-naphthalenyloxy)-, (gamma-S)-",116539-59-4,60835,(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine,CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=CC=CC=C32,"InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1",ZEUITGRIYCTCEM-KRWDZBQOSA-N,C18H19NOS,297.4,297.1187354,4.3,49.5,312,0,1,3,6,21,9.7 °C (49.5 °F) - closed cup,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"2,4-Thiazolidinedione, 5-((4-(2-(methyl-2-pyridinylamino)ethoxy)phenyl)methyl)-, (2Z)-2-butenedioate (1:1)",155141-29-0,5281055,"(Z)-but-2-enedioic acid;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione",CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC=CC=N3.C(=C\C(=O)O)\C(=O)O,"InChI=1S/C18H19N3O3S.C4H4O4/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15;5-3(6)1-2-4(7)8/h2-9,15H,10-12H2,1H3,(H,20,22,23);1-2H,(H,5,6)(H,7,8)/b;2-1-",SUFUKZSWUHZXAV-BTJKTKAUSA-N,C22H23N3O7S,473.5,473.1256713,,171,587,0,3,10,9,33,,,0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,1
"Microcystin LA, 5-L-tyrosine-",123304-10-9,6440826,"15-[(4-hydroxyphenyl)methyl]-18-[(1Z,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-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",CC1C(NC(=O)C(NC(=O)C(C(NC(=O)C(NC(=O)C(NC(=O)C(=C)N(C(=O)CCC(NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)CC2=CC=C(C=C2)O)/C=C\C(=C\C(C)C(CC3=CC=CC=C3)OC)\C,"InChI=1S/C52H71N7O13/c1-28(2)24-40-50(67)58-44(52(70)71)32(6)46(63)56-41(26-36-17-19-37(60)20-18-36)49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16-,29-25+",SIGQAYSWORHPPH-GFXLLRAPSA-N,C52H71N7O13,1002.2,1001.510985,4.7,299,1990,0,9,13,13,72,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"Indole-3-carboxylic acid, 6-bromo-5-hydroxy-1-methyl-2-(phenylthiomethyl)-, ethyl ester",,1252264,ethyl 6-bromo-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate,CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)CSC3=CC=CC=C3,"InChI=1S/C19H18BrNO3S/c1-3-24-19(23)18-13-9-17(22)14(20)10-15(13)21(2)16(18)11-25-12-7-5-4-6-8-12/h4-10,22H,3,11H2,1-2H3",DAFNNZWQTJQQAP-UHFFFAOYSA-N,C19H18BrNO3S,420.3,419.01908,4.6,76.8,460,0,1,4,6,25,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propenamide, 2-cyano-3-(3,4-dihydroxyphenyl)-N-((1S)-1-phenylethyl)-",133550-37-5,5328769,"(E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide",C[C@@H](C1=CC=CC=C1)NC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N,"InChI=1S/C18H16N2O3/c1-12(14-5-3-2-4-6-14)20-18(23)15(11-19)9-13-7-8-16(21)17(22)10-13/h2-10,12,21-22H,1H3,(H,20,23)/b15-9+/t12-/m0/s1",UMGQVUWXNOJOSJ-DGGAMASNSA-N,C18H16N2O3,308.3,308.1160924,2.7,93.4,488,0,3,4,4,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1
"2-Propenamide, 2-cyano-3-(3,4-dihydroxyphenyl)-N-(phenylmethyl)-, (2E)-",133550-30-8,5328779,"(E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide",C1=CC=C(C=C1)CNC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N,"InChI=1S/C17H14N2O3/c18-10-14(8-13-6-7-15(20)16(21)9-13)17(22)19-11-12-4-2-1-3-5-12/h1-9,20-21H,11H2,(H,19,22)/b14-8+",TUCIOBMMDDOEMM-RIYZIHGNSA-N,C17H14N2O3,294.3,294.1004423,2.4,93.4,460,0,3,4,4,22,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzamide, 2-chloro-5-(3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl)-4-fluoro-N-((methyl(1-methylethyl)amino)sulfonyl)-",372137-35-4,11571392,"2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-N-[methyl(propan-2-yl)sulfamoyl]benzamide",CC(C)N(C)S(=O)(=O)NC(=O)C1=CC(=C(C=C1Cl)F)N2C(=O)C=C(N(C2=O)C)C(F)(F)F,"InChI=1S/C17H17ClF4N4O5S/c1-8(2)25(4)32(30,31)23-15(28)9-5-12(11(19)6-10(9)18)26-14(27)7-13(17(20,21)22)24(3)16(26)29/h5-8H,1-4H3,(H,23,28)",GNHDVXLWBQYPJE-UHFFFAOYSA-N,C17H17ClF4N4O5S,500.9,500.0544312,2.1,115,921,0,1,10,5,32,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"2(1H)-Quinazolinone, 4-amino-6,7-dimethoxy-, monohydrochloride",134749-43-2,63329,"4-amino-6,7-dimethoxy-1H-quinazolin-2-one;hydrochloride",COC1=C(C=C2C(=C1)C(=NC(=O)N2)N)OC.Cl,"InChI=1S/C10H11N3O3.ClH/c1-15-7-3-5-6(4-8(7)16-2)12-10(14)13-9(5)11;/h3-4H,1-2H3,(H3,11,12,13,14);1H",DRRJLUGFNPKNAP-UHFFFAOYSA-N,C10H12ClN3O3,257.67,257.0567189,,85.9,318,0,3,3,2,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Piperazine, 1-((3-(4,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo(4,3-d)pyrimidin-5-yl)-4-ethoxyphenyl)sulfonyl)-4-methyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)",171599-83-0,135413523,"5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;2-hydroxypropane-1,2,3-tricarboxylic acid",CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,"InChI=1S/C22H30N6O4S.C6H8O7/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",DEIYFTQMQPDXOT-UHFFFAOYSA-N,C28H38N6O11S,666.7,666.2319272,,250,1070,0,5,15,12,46,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclopropaneacetic acid, 1-((((1R)-1-(3-((1E)-2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)-",158966-92-8,5281040,2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid,CC(C)(C1=CC=CC=C1CC[C@H](C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)O,"InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m1/s1",UCHDWCPVSPXUMX-TZIWLTJVSA-N,C35H36ClNO3S,586.2,585.2104429,7.7,95.7,891,0,2,5,12,41,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzamide, 4-((4-methyl-1-piperazinyl)methyl)-N-(4-methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)phenyl)-, monomethanesulfonate",220127-57-1,123596,methanesulfonic acid;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide,CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5.CS(=O)(=O)O,"InChI=1S/C29H31N7O.CH4O3S/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36;1-5(2,3)4/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34);1H3,(H,2,3,4)",YLMAHDNUQAMNNX-UHFFFAOYSA-N,C30H35N7O4S,589.7,589.2471238,,149,799,0,3,10,7,42,,,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"5H-Benzo(5,6)cyclohepta(1,2-b)pyridine, 8-chloro-6,11-dihydro-11-(1-((5-methyl-3-pyridinyl)methyl)-4-piperidinylidene)-",158876-82-5,133017,"13-chloro-2-[1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-ylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene",CC1=CC(=CN=C1)CN2CCC(=C3C4=C(CCC5=C3N=CC=C5)C=C(C=C4)Cl)CC2,"InChI=1S/C26H26ClN3/c1-18-13-19(16-28-15-18)17-30-11-8-20(9-12-30)25-24-7-6-23(27)14-22(24)5-4-21-3-2-10-29-26(21)25/h2-3,6-7,10,13-16H,4-5,8-9,11-12,17H2,1H3",WUZYKBABMWJHDL-UHFFFAOYSA-N,C26H26ClN3,416,415.1815255,5.8,29,609,0,0,3,2,30,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(5H)-Furanone, 4-(4-(methylsulfonyl)phenyl)-3-phenyl-",162011-90-7,5090,3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one,CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3,"InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3",RZJQGNCSTQAWON-UHFFFAOYSA-N,C17H14O4S,314.4,314.0612801,2.3,68.8,556,0,0,4,3,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyrazino(1',2':1,6)pyrido(3,4-b)indole-1,4-dione, 2-amino-6-(1,3-benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydro-, (6R,12aR)-",385769-84-6,10178467,"(2R,8R)-6-amino-2-(1,3-benzodioxol-5-yl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione",C1[C@@H]2C(=O)N(CC(=O)N2[C@@H](C3=C1C4=CC=CC=C4N3)C5=CC6=C(C=C5)OCO6)N,"InChI=1S/C21H18N4O4/c22-24-9-18(26)25-15(21(24)27)8-13-12-3-1-2-4-14(12)23-19(13)20(25)11-5-6-16-17(7-11)29-10-28-16/h1-7,15,20,23H,8-10,22H2/t15-,20-/m1/s1",VUKJGAVIWMPOOJ-FOIQADDNSA-N,C21H18N4O4,390.4,390.1328051,1.5,101,704,0,2,5,1,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"1H-Indol-5-ol, 1-((4-(2-(hexahydro-1H-azepin-1-yl)ethoxy)phenyl)methyl)-2-(4-hydroxyphenyl)-3-methyl-, acetate (salt)",198481-33-3,154256,acetic acid;1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol,CC1=C(N(C2=C1C=C(C=C2)O)CC3=CC=C(C=C3)OCCN4CCCCCC4)C5=CC=C(C=C5)O.CC(=O)O,"InChI=1S/C30H34N2O3.C2H4O2/c1-22-28-20-26(34)12-15-29(28)32(30(22)24-8-10-25(33)11-9-24)21-23-6-13-27(14-7-23)35-19-18-31-16-4-2-3-5-17-31;1-2(3)4/h6-15,20,33-34H,2-5,16-19,21H2,1H3;1H3,(H,3,4)",OMZAMQFQZMUNTP-UHFFFAOYSA-N,C32H38N2O5,530.7,530.2780723,,95.2,654,0,3,6,7,39,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"2,5,6,10,13-Pentaazatetradecanedioic acid, 3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-((4-(2-pyridinyl)phenyl)methyl)-, dimethyl ester, (3S,8S,9S,12S)-",198904-31-3,148192,"methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate",CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC,"InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1",AXRYRYVKAWYZBR-GASGPIRDSA-N,C38H52N6O7,704.9,704.389748,5.6,171,1110,0,5,9,18,51,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0
"6,10-Methano-6H-pyrazino(2,3-h)(3)benzazepine, 7,8,9,10-tetrahydro-",249296-44-4,5310966,"(1S,12R)-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene",C1[C@@H]2CNC[C@H]1C3=CC4=NC=CN=C4C=C23,"InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2/t8-,9+",JQSHBVHOMNKWFT-DTORHVGOSA-N,C13H13N3,211.26,211.1109474,0.8,37.8,254,0,1,3,0,16,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BENZYLFENTANYL,001474-02-8,252141,N-(1-benzylpiperidin-4-yl)-N-phenylpropanamide,CCC(=O)N(C1CCN(CC1)CC2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C21H26N2O/c1-2-21(24)23(19-11-7-4-8-12-19)20-13-15-22(16-14-20)17-18-9-5-3-6-10-18/h3-12,20H,2,13-17H2,1H3",POQDXIFVWVZVML-UHFFFAOYSA-N,C21H26N2O,322.4,322.2045135,3.6,23.6,377,0,0,2,5,24,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
DIMETHYL POPOP,003073-87-8,76491,"4-methyl-2-[4-(4-methyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole",CC1=C(OC(=N1)C2=CC=C(C=C2)C3=NC(=C(O3)C4=CC=CC=C4)C)C5=CC=CC=C5,"InChI=1S/C26H20N2O2/c1-17-23(19-9-5-3-6-10-19)29-25(27-17)21-13-15-22(16-14-21)26-28-18(2)24(30-26)20-11-7-4-8-12-20/h3-16H,1-2H3",VLDFXDUAENINOO-UHFFFAOYSA-N,C26H20N2O2,392.4,392.1524779,6.2,52.1,489,0,0,4,4,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-BENZYLPYRIDINE,000620-95-1,12112,3-benzylpyridine,C1=CC=C(C=C1)CC2=CN=CC=C2,"InChI=1S/C12H11N/c1-2-5-11(6-3-1)9-12-7-4-8-13-10-12/h1-8,10H,9H2",UUCLVSDUMKMBSM-UHFFFAOYSA-N,C12H11N,169.22,169.0891494,2.8,12.9,138,0,0,1,2,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3-AMINO-5-MERCAPTO-1,2,4-TRIAZOLE",016691-43-3,2723869,"5-amino-1,2-dihydro-1,2,4-triazole-3-thione",C1(=NC(=S)NN1)N,"InChI=1S/C2H4N4S/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)",WZUUZPAYWFIBDF-UHFFFAOYSA-N,C2H4N4S,116.15,116.0156673,-0.8,94.5,128,0,3,1,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"D-Streptamine, O-4-amino-4-deoxy-alpha-D-glucopyranosyl-(1-8)-O-(8R)-2-amino-2,3,7-trideoxy-7-(methylamino)-D-glycero-alpha-D-allo-octadialdo-1,5:8,4-dipyranosyl-(1-4)-2-deoxy-",37321-09-8,3081545,"(2R,3R,4S,5S,6S)-2-[[(2R,3S,4R,4aR,6S,7R,8aS)-7-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-4-hydroxy-3-(methylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-5-amino-6-(hydroxymethyl)oxane-3,4-diol",CN[C@H]1[C@H]([C@@H]2[C@H](C[C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O)N)N)N)O[C@@H]1O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)N)O)O)O,"InChI=1S/C21H41N5O11/c1-26-11-14(30)18-8(33-20(11)37-21-16(32)13(29)10(25)9(4-27)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)12(28)15(17)31/h5-21,26-32H,2-4,22-25H2,1H3/t5-,6+,7-,8+,9-,10-,11+,12+,13+,14-,15-,16-,17-,18+,19+,20-,21-/m1/s1",XZNUGFQTQHRASN-XQENGBIVSA-N,C21H41N5O11,539.6,539.2802571,-7,284,760,0,11,16,6,37,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"4,4',4'',4'''-(ETHENE-1,1,2,2-TETRAYL)TETRAANILINE",078525-34-5,21678925,"4-[1,2,2-tris(4-aminophenyl)ethenyl]aniline",C1=CC(=CC=C1C(=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N)C4=CC=C(C=C4)N)N,"InChI=1S/C26H24N4/c27-21-9-1-17(2-10-21)25(18-3-11-22(28)12-4-18)26(19-5-13-23(29)14-6-19)20-7-15-24(30)16-8-20/h1-16H,27-30H2",JGUVAGVIFMBVCK-UHFFFAOYSA-N,C26H24N4,392.5,392.2000968,5.2,104,458,0,4,4,4,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-ANTHRACENESULFONIC ACID, 1-AMINO-4-[[3-[[4-CHLORO-6-[(3-SULFOPHENYL)AMINO]-1",072927-99-2,166361,"trisodium;1-amino-4-[3-[[4-chloro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate",CC1=C(C(=C(C(=C1NC2=NC(=NC(=N2)NC3=CC(=CC=C3)S(=O)(=O)[O-])Cl)C)S(=O)(=O)[O-])C)NC4=CC(=C(C5=C4C(=O)C6=CC=CC=C6C5=O)N)S(=O)(=O)[O-].[Na+].[Na+].[Na+],"InChI=1S/C32H26ClN7O11S3.3Na/c1-13-25(36-20-12-21(53(46,47)48)24(34)23-22(20)27(41)18-9-4-5-10-19(18)28(23)42)14(2)29(54(49,50)51)15(3)26(13)37-32-39-30(33)38-31(40-32)35-16-7-6-8-17(11-16)52(43,44)45;;;/h4-12,36H,34H2,1-3H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H2,35,37,38,39,40);;;/q;3*+1/p-3",ZUCXUTRTSQLRCV-UHFFFAOYSA-K,C32H23ClN7Na3O11S3,882.2,880.9999286,,332,1700,0,4,18,6,57,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(2-ethoxy-1-naphthamido)-3,3-dimethyl-7-oxo-",147-52-4,8982,"(2S,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CCOC1=C(C2=CC=CC=C2C=C1)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O,"InChI=1S/C21H22N2O5S/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27)/t15-,16+,19-/m1/s1",GPXLMGHLHQJAGZ-JTDSTZFVSA-N,C21H22N2O5S,414.5,414.124943,2.9,121,699,0,2,6,5,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
Proscillaridin A,466-06-8,5284613,"5-[(3S,8R,9S,10R,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one",C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)O)O,"InChI=1S/C30H42O8/c1-16-24(32)25(33)26(34)27(37-16)38-19-8-11-28(2)18(14-19)5-6-22-21(28)9-12-29(3)20(10-13-30(22,29)35)17-4-7-23(31)36-15-17/h4,7,14-16,19-22,24-27,32-35H,5-6,8-13H2,1-3H3/t16-,19-,20+,21-,22+,24-,25+,26+,27-,28-,29+,30-/m0/s1",MYEJFUXQJGHEQK-ALRJYLEOSA-N,C30H42O8,530.6,530.2879683,1.9,126,1070,0,4,8,3,38,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"9,10-Anthracenedione, 3-((6-deoxy-L-mannopyranosyl)oxy)-1,8-dihydroxy-6-methyl-",69686-05-1,135454,"1,8-dihydroxy-3-methyl-6-[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyanthracene-9,10-dione",C[C@H]1[C@@H]([C@H]([C@H](C(O1)OC2=CC3=C(C(=C2)O)C(=O)C4=C(C3=O)C=C(C=C4O)C)O)O)O,"InChI=1S/C21H20O9/c1-7-3-10-14(12(22)4-7)18(26)15-11(17(10)25)5-9(6-13(15)23)30-21-20(28)19(27)16(24)8(2)29-21/h3-6,8,16,19-24,27-28H,1-2H3/t8-,16-,19+,20+,21?/m0/s1",DTTVUKLWJFJOHO-NXTHJCGOSA-N,C21H20O9,416.4,416.1107322,1.4,154,683,0,5,9,2,30,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 4,4'-cyclohexylidenebis-",843-55-0,232446,4-[1-(4-hydroxyphenyl)cyclohexyl]phenol,C1CCC(CC1)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O,"InChI=1S/C18H20O2/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15/h4-11,19-20H,1-3,12-13H2",SDDLEVPIDBLVHC-UHFFFAOYSA-N,C18H20O2,268.3,268.1463299,5.4,40.5,269,0,2,2,2,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"6-Heptenoic acid, 7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-, (3R,5S,6E)-",287714-41-4,446157,"(E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid",CC(C)C1=NC(=NC(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C,"InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17-/m1/s1",BPRHUIZQVSMCRT-VEUZHWNKSA-N,C22H28FN3O6S,481.5,481.168285,1.6,149,767,0,3,10,10,33,,,0,0,0,0,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,1
"3-Azabicyclo(3.1.0)hexane, 1-(4-methylphenyl)-, hydrochloride",66504-75-4,46783598,"(1R,5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride",CC1=CC=C(C=C1)[C@@]23C[C@@H]2CNC3.Cl,"InChI=1S/C12H15N.ClH/c1-9-2-4-10(5-3-9)12-6-11(12)7-13-8-12;/h2-5,11,13H,6-8H2,1H3;1H/t11-,12+;/m1./s1",OTZOPAFTLUOBOM-LYCTWNKOSA-N,C12H16ClN,209.71,209.0971272,,12,205,0,2,1,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
QUINOLINE YELLOW,008003-22-3,6731,"2-quinolin-2-ylindene-1,3-dione",C1=CC=C2C(=C1)C=CC(=N2)C3C(=O)C4=CC=CC=C4C3=O,"InChI=1S/C18H11NO2/c20-17-12-6-2-3-7-13(12)18(21)16(17)15-10-9-11-5-1-4-8-14(11)19-15/h1-10,16H",IZMJMCDDWKSTTK-UHFFFAOYSA-N,C18H11NO2,273.3,273.0789786,3.4,47,422,0,0,3,1,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PRIMER: DIAZODINITROPHENOL (DIAZODINITROPHENOL, WETTED WITH NOT <40% WATER",000087-31-0,6882,"5,7-dinitro-1,2,3-benzoxadiazole",C1=C(C=C(C2=C1N=NO2)[N+](=O)[O-])[N+](=O)[O-],InChI=1S/C6H2N4O5/c11-9(12)3-1-4-6(15-8-7-4)5(2-3)10(13)14/h1-2H,IFYCOVMLDMKOHK-UHFFFAOYSA-N,C6H2N4O5,210.1,210.0025192,0.9,131,286,0,0,7,0,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-CYCLOOCTADIENE",001700-10-3,299882,"(1Z,3Z)-cycloocta-1,3-diene",C1C/C=C\C=C/CC1,"InChI=1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-4H,5-8H2/b3-1-,4-2-",RRKODOZNUZCUBN-CCAGOZQPSA-N,C8H12,108.18,108.0939004,3.3,0,84,0,0,0,0,8,"95 °F (NFPA, 2010)",,0,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
PHENYLLITHIUM,000591-51-5,53629015,,[Li].C1=CC=[C]C=C1,InChI=1S/C6H5.Li/c1-2-4-6-5-3-1;/h1-5H;,NHKJPPKXDNZFBJ-UHFFFAOYSA-N,C6H5Li,84.1,84.05512859,,0,27,0,0,0,0,7,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"3,3,6,6-TETRAMETHYL-1,2-DIOXACYCLOHEXANE",,140921,"3,3,6,6-tetramethyldioxane",CC1(CCC(OO1)(C)C)C,"InChI=1S/C8H16O2/c1-7(2)5-6-8(3,4)10-9-7/h5-6H2,1-4H3",KWGQMMAUPVIDIG-UHFFFAOYSA-N,C8H16O2,144.21,144.1150297,1.8,18.5,111,0,0,2,0,10,,,0,0,0,0,0,0,0,1,1,0,0,0,1,0,0,1,1,0,0,1
"1,4-THIOXANE",015980-15-1,27596,"1,4-oxathiane",C1CSCCO1,InChI=1S/C4H8OS/c1-3-6-4-2-5-1/h1-4H2,JBYHSSAVUBIJMK-UHFFFAOYSA-N,C4H8OS,104.17,104.0295861,0.5,34.5,34,0,0,2,0,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
BI2-METHYL-5-(1-METHYLETHYL)BICYCLO(3.1.0)HEXAN-2-OL,000546-79-2,62367,2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol,CC(C)C12CCC(C1C2)(C)O,"InChI=1S/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3",KXSDPILWMGFJMM-UHFFFAOYSA-N,C10H18O,154.25,154.1357652,2.1,20.2,187,0,1,1,1,11,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"4,7-DIHYDRO-2,2-DIMETHYL-1,3-DIOXEPIN",001003-83-4,392707,"2,2-dimethyl-4,7-dihydro-1,3-dioxepine",CC1(OCC=CCO1)C,"InChI=1S/C7H12O2/c1-7(2)8-5-3-4-6-9-7/h3-4H,5-6H2,1-2H3",ATZGUXPLGMKHOR-UHFFFAOYSA-N,C7H12O2,128.17,128.0837296,0.9,18.5,104,0,0,2,0,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,3-OXATHIOLAN-2-ONE",003326-89-4,72822,"1,3-oxathiolan-2-one",C1CSC(=O)O1,InChI=1S/C3H4O2S/c4-3-5-1-2-6-3/h1-2H2,DAJDXKBYZZGECL-UHFFFAOYSA-N,C3H4O2S,104.13,103.9932005,0.8,51.6,71,0,0,3,0,6,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
LYCOPODIUM,008023-70-9,162941839,"26,35-dihydroxy-17-[2-[4-hydroxy-3-(2-hydroxyethoxy)phenyl]ethyl]-36-methoxy-3'-(1H-pyrrolo[3,2-b]pyrrol-4-ylmethyl)spiro[16-oxa-3-azaheptacyclo[19.11.6.02,10.04,9.022,31.023,28.033,38]octatriaconta-1(32),2(10),4,6,8,33,35,37-octaen-12-yne-29,1'-cyclopentane]-15,19-dione",COC1=C(C=C2C3=CC4CC5(CCC(C5)CN6C=CC7=C6C=CN7)C8CC(CCC8C4C(C2=C1)CC(=O)CC(OC(=O)CC#CCC9=C3NC1=CC=CC=C91)CCC1=CC(=C(C=C1)O)OCCO)O)O,"InChI=1S/C58H63N3O9/c1-68-53-30-44-43(29-52(53)66)46-25-36-32-58(19-16-35(31-58)33-61-21-18-49-50(61)17-20-59-49)47-28-37(63)12-14-42(47)56(36)45(44)27-38(64)26-39(13-10-34-11-15-51(65)54(24-34)69-23-22-62)70-55(67)9-5-3-7-41-40-6-2-4-8-48(40)60-57(41)46/h2,4,6,8,11,15,17-18,20-21,24-25,29-30,35-37,39,42,45,47,56,59-60,62-63,65-66H,7,9-10,12-14,16,19,22-23,26-28,31-33H2,1H3",GDOJDJJOSBIYKU-UHFFFAOYSA-N,C58H63N3O9,946.1,945.4564306,8.1,179,1950,0,6,9,9,70,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
O-CARBORANE,016872-09-6,17750431,"(11Z)-1,2,3,4,5,6,7,8,9,10-decaboracyclododeca-1,3,5,7,9,11-hexaene",B1=BB=BB=B/C=C\B=BB=B1,InChI=1S/C2H2B10/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2H/b2-1-,GJLPUBMCTFOXHD-UPHRSURJSA-N,C2H2B10,134.2,134.115965,,0,250,0,0,0,0,12,,,0,1,1,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
"(2R-(2ALPHA,3Z,5ALPHA))-3-(2-HYDROXYETHYLIDENE)-7-OXO-4-OXA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, MONOPOTASSIUM SALT",061177-45-5,23665591,"potassium (2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate",C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)[O-].[K+],"InChI=1S/C8H9NO5.K/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4;/h1,6-7,10H,2-3H2,(H,12,13);/q;+1/p-1/b4-1-;/t6-,7-;/m1./s1",ABVRVIZBZKUTMK-JSYANWSFSA-M,C8H8KNO5,237.25,237.0039538,,89.9,329,0,1,5,2,15,,,0,0,0,0,0,0,0,1,0,1,0,0,0,1,1,0,0,1,0,0
"1,1'-BIS(2,4-DINITROPHENYL)-4,4'-BIPYRIDINIUM DICHLORIDE",041168-79-0,14228160,"1-(2,4-dinitrophenyl)-4-[1-(2,4-dinitrophenyl)pyridin-1-ium-4-yl]pyridin-1-ium dichloride",C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-].[Cl-].[Cl-],InChI=1S/C22H14N6O8.2ClH/c29-25(30)17-1-3-19(21(13-17)27(33)34)23-9-5-15(6-10-23)16-7-11-24(12-8-16)20-4-2-18(26(31)32)14-22(20)28(35)36;;/h1-14H;2*1H/q+2;;/p-2,HTRYWXJIGDXDLF-UHFFFAOYSA-L,C22H14Cl2N6O8,561.3,560.0250168,,191,754,0,0,10,3,38,,,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0
"1,3,5,7-Tetroxocane, 2,4,6,8-tetramethyl-",000108-62-3,61021,"2,4,6,8-tetramethyl-1,3,5,7-tetraoxocane",CC1OC(OC(OC(O1)C)C)C,"InChI=1S/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3",GKKDCARASOJPNG-UHFFFAOYSA-N,C8H16O4,176.21,176.104859,1.1,36.9,91,0,0,4,0,12,97 °F (36 °C) (closed cup),115 °C (sublimes),0,0,0,1,0,0,1,0,0,1,0,0,0,1,0,0,0,0,0,0
"6-DIAZO-5,6-DIHYDRO-5-OXO-1-NAPHTHALENESULFONIC ACID, 4-BENZOYL-1,2,3-BENZENETRIYL ESTER",005610-94-6,79715,"5-[4-benzoyl-2,3-bis[(6-diazonio-5-oxidonaphthalen-1-yl)sulfonyloxy]phenoxy]sulfonyl-2-diazonionaphthalen-1-olate",C1=CC=C(C=C1)C(=O)C2=C(C(=C(C=C2)OS(=O)(=O)C3=CC=CC4=C3C=CC(=C4[O-])[N+]#N)OS(=O)(=O)C5=CC=CC6=C5C=CC(=C6[O-])[N+]#N)OS(=O)(=O)C7=CC=CC8=C7C=CC(=C8[O-])[N+]#N,"InChI=1S/C43H22N6O13S3/c44-47-31-19-15-24-27(39(31)51)9-4-12-35(24)63(54,55)60-34-22-18-30(38(50)23-7-2-1-3-8-23)42(61-64(56,57)36-13-5-10-28-25(36)16-20-32(48-45)40(28)52)43(34)62-65(58,59)37-14-6-11-29-26(37)17-21-33(49-46)41(29)53/h1-22H",IYBMFZHGMIRLPI-UHFFFAOYSA-N,C43H22N6O13S3,926.9,926.0406983,13.2,326,2240,0,0,16,11,65,,,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,1,0,0,0,0
"BENZENECARBOPEROXOIC ACID, 1,1,4,4-TETRAMETHYL-1,4-BUTANEDIYL ESTER",002618-77-1,75796,"(5-benzoylperoxy-2,5-dimethylhexan-2-yl) benzenecarboperoxoate",CC(C)(CCC(C)(C)OOC(=O)C1=CC=CC=C1)OOC(=O)C2=CC=CC=C2,"InChI=1S/C22H26O6/c1-21(2,27-25-19(23)17-11-7-5-8-12-17)15-16-22(3,4)28-26-20(24)18-13-9-6-10-14-18/h5-14H,15-16H2,1-4H3",RIPYNJLMMFGZSX-UHFFFAOYSA-N,C22H26O6,386.4,386.1729385,5.4,71.1,455,0,0,6,11,28,,,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0
"[1,1'-BIS(DIPHENYLPHOSPHINO)FERROCENE]DICHLOROPALLADIUM(II)",072287-26-4,71310626,"bis(cyclopenta-1,3-dien-1-yl(diphenyl)phosphane);dichloropalladium;iron(2+)",[CH-]1C=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3.[CH-]1C=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Pd]Cl.[Fe+2],InChI=1S/2C17H14P.2ClH.Fe.Pd/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;;;;/h2*1-14H;2*1H;;/q2*-1;;;2*+2/p-2,NXQGGXCHGDYOHB-UHFFFAOYSA-L,C34H28Cl2FeP2Pd,731.7,729.94275,,0,217,0,0,2,6,40,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,1,1-TRIS(ACETYLOXY)-1,1-DIHYDRO-1,2-BENZIODOXOL-3(1H)-ONE",087413-09-0,159087,"(1,1-diacetyloxy-3-oxo-1lambda5,2-benziodoxol-1-yl) acetate",CC(=O)OI1(C2=CC=CC=C2C(=O)O1)(OC(=O)C)OC(=O)C,"InChI=1S/C13H13IO8/c1-8(15)19-14(20-9(2)16,21-10(3)17)12-7-5-4-6-11(12)13(18)22-14/h4-7H,1-3H3",NKLCNNUWBJBICK-UHFFFAOYSA-N,C13H13IO8,424.14,423.96551,2.7,105,499,0,0,8,6,22,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CYTOCHALASIN D,022144-77-0,5458428,"[(1R,2R,3E,5R,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-5,12-dihydroxy-5,7,14-trimethyl-13-methylidene-6,18-dioxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] acetate",C[C@H]1C/C=C/[C@H]2[C@@H](C(=C)[C@H]([C@@H]3[C@@]2([C@@H](/C=C/[C@@](C1=O)(C)O)OC(=O)C)C(=O)N[C@H]3CC4=CC=CC=C4)C)O,"InChI=1S/C30H37NO6/c1-17-10-9-13-22-26(33)19(3)18(2)25-23(16-21-11-7-6-8-12-21)31-28(35)30(22,25)24(37-20(4)32)14-15-29(5,36)27(17)34/h6-9,11-15,17-18,22-26,33,36H,3,10,16H2,1-2,4-5H3,(H,31,35)/b13-9+,15-14+/t17-,18+,22-,23-,24+,25-,26+,29+,30+/m0/s1",SDZRWUKZFQQKKV-JHADDHBZSA-N,C30H37NO6,507.6,507.2620879,2.7,113,996,0,3,6,4,37,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
PSEUDOMONAS EXOTOXIN A FROM PSEUDOMONAS AERUGINOSA,091262-95-2,135345207,"2-[[8-amino-6-(4,6-dimethyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-3-yl)-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one",CC1=C2CN(C(=O)C2=NC=C1C3=NC(=C4C=NC(=CC4=C3)NC5=NN6CC(=O)N(CCC6=C5)C)N)C,"InChI=1S/C25H25N9O2/c1-13-16(9-28-23-18(13)11-33(3)25(23)36)19-6-14-7-20(27-10-17(14)24(26)29-19)30-21-8-15-4-5-32(2)22(35)12-34(15)31-21/h6-10H,4-5,11-12H2,1-3H3,(H2,26,29)(H,27,30,31)",PYRBDKAMXQEVJR-UHFFFAOYSA-N,C25H25N9O2,483.5,483.2131211,1.2,135,859,0,2,8,3,36,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
IBERIOTOXIN,129203-60-7,16132435,"5-amino-2-[[2-[[10-[[6-amino-2-[[6-amino-2-[[2-[[2-[[7,34-bis(4-aminobutyl)-37-[[2-[[2-[[2-[[10-(4-aminobutyl)-22-[[3-carboxy-2-[[2-[[3-carboxy-2-[[3-hydroxy-2-[[2-[(5-oxopyrrolidine-2-carbonyl)amino]-3-phenylpropanoyl]amino]butanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-7-(2-carboxyethyl)-13,19-bis(hydroxymethyl)-6,9,12,15,18,21-hexaoxo-16-propan-2-yl-1,2-dithia-5,8,11,14,17,20-hexazacyclotricosane-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-25-benzyl-13-(3-carbamimidamidopropyl)-16,31-bis(carboxymethyl)-28-(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-19-propan-2-yl-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacontane-4-carbonyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]hexanoyl]amino]hexanoyl]amino]-7-(3-carbamimidamidopropyl)-6,9-dioxo-1,2-dithia-5,8-diazacycloundecane-4-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoic acid",CC(C)CC1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)N1)CC(=O)O)CCCCN)NC(=O)C(C(C)C)NC(=O)C(CO)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N4)CCC(=O)O)CCCCN)CO)C(C)C)CO)NC(=O)C(CC(=O)O)NC(=O)C(C(C)C)NC(=O)C(CC(=O)O)NC(=O)C(C(C)O)NC(=O)C(CC5=CC=CC=C5)NC(=O)C6CCC(=O)N6)C(=O)NC(CCSC)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC7CSSCC(NC(=O)C(NC7=O)CCCNC(=N)N)C(=O)NC(CC8=CC=C(C=C8)O)C(=O)NC(CCC(=O)N)C(=O)O)CCCCN)CCCNC(=N)N)CC(=O)O)C(C)C)CC9=CC=CC=C9,"InChI=1S/C179H274N50O55S7/c1-87(2)65-111-155(261)208-112(66-93-33-15-13-16-34-93)146(252)195-77-133(239)225-139(88(3)4)172(278)213-117(71-136(244)245)158(264)199-100(44-31-62-190-178(186)187)144(250)193-75-131(237)198-102(40-22-27-58-181)148(254)219-124(167(273)205-109(56-64-285-12)145(251)194-76-132(238)197-101(39-21-26-57-180)147(253)200-105(43-25-30-61-184)151(257)220-123-81-286-288-83-125(221-152(258)106(203-166(123)272)45-32-63-191-179(188)189)169(275)210-113(68-95-46-48-97(234)49-47-95)156(262)206-110(177(283)284)50-53-129(185)235)82-287-291-86-128(168(274)202-104(42-24-29-60-183)150(256)212-116(70-135(242)243)159(265)207-111)224-175(281)142(91(9)10)228-164(270)121(79-231)216-157(263)115(69-96-74-192-99-38-20-19-37-98(96)99)211-170(276)126-84-289-290-85-127(171(277)217-122(80-232)165(271)227-141(90(7)8)174(280)218-120(78-230)163(269)201-103(41-23-28-59-182)149(255)204-108(154(260)222-126)52-55-134(240)241)223-160(266)118(72-137(246)247)214-173(279)140(89(5)6)226-162(268)119(73-138(248)249)215-176(282)143(92(11)233)229-161(267)114(67-94-35-17-14-18-36-94)209-153(259)107-51-54-130(236)196-107/h13-20,33-38,46-49,74,87-92,100-128,139-143,192,230-234H,21-32,39-45,50-73,75-86,180-184H2,1-12H3,(H2,185,235)(H,193,250)(H,194,251)(H,195,252)(H,196,236)(H,197,238)(H,198,237)(H,199,264)(H,200,253)(H,201,269)(H,202,274)(H,203,272)(H,204,255)(H,205,273)(H,206,262)(H,207,265)(H,208,261)(H,209,259)(H,210,275)(H,211,276)(H,212,256)(H,213,278)(H,214,279)(H,215,282)(H,216,263)(H,217,277)(H,218,280)(H,219,254)(H,220,257)(H,221,258)(H,222,260)(H,223,266)(H,224,281)(H,225,239)(H,226,268)(H,227,271)(H,228,270)(H,229,267)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,283,284)(H4,186,187,190)(H4,188,189,191)",VDNVVLOBNHIMQA-UHFFFAOYSA-N,C179H274N50O55S7,4231,4228.825916,-22,1890,9970,0,61,69,100,291,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CARFILZOMIB,868540-17-4,11556711,(2S)-4-methyl-N-[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]-4-phenylbutanoyl]amino]pentanamide,CC(C)C[C@@H](C(=O)[C@]1(CO1)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC3=CC=CC=C3)NC(=O)CN4CCOCC4,"InChI=1S/C40H57N5O7/c1-27(2)22-32(36(47)40(5)26-52-40)42-39(50)34(24-30-14-10-7-11-15-30)44-38(49)33(23-28(3)4)43-37(48)31(17-16-29-12-8-6-9-13-29)41-35(46)25-45-18-20-51-21-19-45/h6-15,27-28,31-34H,16-26H2,1-5H3,(H,41,46)(H,42,50)(H,43,48)(H,44,49)/t31-,32-,33-,34-,40+/m0/s1",BLMPQMFVWMYDKT-NZTKNTHTSA-N,C40H57N5O7,719.9,719.4257992,4.7,158,1180,0,4,8,20,52,,,0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,1,1
TRIMETHYLOLPROPANE PHOSPHITE,000824-11-3,13210,"4-ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane",CCC12COP(OC1)OC2,"InChI=1S/C6H11O3P/c1-2-6-3-7-10(8-4-6)9-5-6/h2-5H2,1H3",QRUSNTDXJQBKBI-UHFFFAOYSA-N,C6H11O3P,162.12,162.0445812,0.6,27.7,117,0,0,3,1,10,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"2H-Pyran-2-one, 4-methoxy-5-methyl-6-(7-methyl-8-(tetrahydro-3,4-dihydroxy-2,4",025425-12-1,6436023,"6-[(1E,3E,5E,7E)-8-[(2S,3R,4R,5R)-3,4-dihydroxy-2,4,5-trimethyloxolan-2-yl]-7-methylocta-1,3,5,7-tetraenyl]-4-methoxy-5-methylpyran-2-one",C[C@@H]1[C@]([C@H]([C@](O1)(C)/C=C(\C)/C=C/C=C/C=C/C2=C(C(=CC(=O)O2)OC)C)O)(C)O,"InChI=1S/C23H30O6/c1-15(14-22(4)21(25)23(5,26)17(3)29-22)11-9-7-8-10-12-18-16(2)19(27-6)13-20(24)28-18/h7-14,17,21,25-26H,1-6H3/b8-7+,11-9+,12-10+,15-14+/t17-,21+,22+,23+/m1/s1",JLSVDPQAIKFBTO-OMCRQDLASA-N,C23H30O6,402.5,402.2042387,2.6,85.2,828,0,2,6,6,29,,,0,1,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"1H-Cyclopenta(b)benzofuran-5-butanoic acid, 2,3,3a,8b-tetrahydro-2-hydroxy-1-(",088475-69-8,23663404,"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",CC#CCC(C)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C3=CC=CC(=C3O2)CCCC(=O)[O-])O)O.[Na+],"InChI=1S/C24H30O5.Na/c1-3-4-7-15(2)19(25)13-12-17-20(26)14-21-23(17)18-10-5-8-16(24(18)29-21)9-6-11-22(27)28;/h5,8,10,12-13,15,17,19-21,23,25-26H,6-7,9,11,14H2,1-2H3,(H,27,28);/q;+1/p-1/b13-12+;/t15?,17-,19+,20+,21-,23-;/m0./s1",YTCZZXIRLARSET-VJRSQJMHSA-M,C24H29NaO5,420.5,420.1912683,,89.8,665,0,2,5,8,30,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"10,10'-OXYDIPHENOXARSINE",000058-36-6,6017,10-phenoxarsinin-10-yloxyphenoxarsinine,C1=CC=C2C(=C1)OC3=CC=CC=C3[As]2O[As]4C5=CC=CC=C5OC6=CC=CC=C64,InChI=1S/C24H16As2O3/c1-5-13-21-17(9-1)25(18-10-2-6-14-22(18)27-21)29-26-19-11-3-7-15-23(19)28-24-16-8-4-12-20(24)26/h1-16H,VCRZAKVGPJFABU-UHFFFAOYSA-N,C24H16As2O3,502.2,501.95313,,27.7,482,0,0,3,2,29,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
"L-CYSTEINAMIDE, GLYCYL-L-CYSTEINYL-L-CYSTEINYL-L-SERYL-L-ALPHA-ASPARTYL-L-PROLYL-L-ARGINYL-L-CYSTEINYL-L-ALANYL-L-TRYPTOPHYL-L-ARGINYL-, CYCLIC (2-8),(3-12)-BIS(DISULFIDE)",156467-85-5,133011,(3S)-3-[[(2S)-2-[[(2R)-2-[[(2R)-2-[(2-aminoacetyl)amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]-4-[(2S)-2-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxobutanoic acid,C[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CS)C(=O)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN,"InChI=1S/C52H82N20O15S4/c1-24(41(78)66-30(15-25-18-61-27-8-3-2-7-26(25)27)44(81)64-28(9-4-12-59-51(55)56)42(79)69-33(20-88)40(54)77)62-46(83)35(22-90)70-43(80)29(10-5-13-60-52(57)58)65-49(86)37-11-6-14-72(37)50(87)31(16-39(75)76)67-45(82)32(19-73)68-48(85)36(23-91)71-47(84)34(21-89)63-38(74)17-53/h2-3,7-8,18,24,28-37,61,73,88-91H,4-6,9-17,19-23,53H2,1H3,(H2,54,77)(H,62,83)(H,63,74)(H,64,81)(H,65,86)(H,66,78)(H,67,82)(H,68,85)(H,69,79)(H,70,80)(H,71,84)(H,75,76)(H4,55,56,59)(H4,57,58,60)/t24-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-/m0/s1",IFMXNBRHEQLZMI-VAYQAVKTSA-N,C52H82N20O15S4,1355.6,1354.515137,-9.4,587,2630,0,23,22,39,91,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ENDOSULFAN SULFATE,001031-07-8,13940,"1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda6-thiatricyclo[7.2.1.02,8]dodec-10-ene 5,5-dioxide",C1C2C(COS(=O)(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,"InChI=1S/C9H6Cl6O4S/c10-5-6(11)8(13)4-2-19-20(16,17)18-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2",AAPVQEMYVNZIOO-UHFFFAOYSA-N,C9H6Cl6O4S,422.9,421.808846,3.7,61,568,0,0,4,0,20,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
ABAMECTIN [AVERMECTIN B1],071751-41-2,9920327,"(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one;(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethyl-2-propan-2-ylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one",CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C.C[C@H]1/C=C/C=C/2\CO[C@H]3[C@@]2([C@@H](C=C([C@H]3O)C)C(=O)O[C@H]4C[C@@H](C/C=C(/[C@H]1O[C@H]5C[C@@H]([C@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O)OC)OC)\C)O[C@]7(C4)C=C[C@@H]([C@H](O7)C(C)C)C)O,"InChI=1S/C48H72O14.C47H70O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38;1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3;11-14,16-18,24-25,27,29-30,32-44,48-49,51H,15,19-23H2,1-10H3/b13-12+,27-15+,32-14+;12-11+,26-14+,31-13+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+;25-,27-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,44+,46+,47+/m00/s1",IBSREHMXUMOFBB-JFUDTMANSA-N,C95H142O28,1732.1,1731.972119,,340,3430,0,6,28,15,123,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
NICOTINE SULFATE,000065-30-5,2735101,bis(3-[(2S)-1-methylpyrrolidin-2-yl]pyridine);sulfuric acid,CN1CCC[C@H]1C2=CN=CC=C2.CN1CCC[C@H]1C2=CN=CC=C2.OS(=O)(=O)O,"InChI=1S/2C10H14N2.H2O4S/c2*1-12-7-3-5-10(12)9-4-2-6-11-8-9;1-5(2,3)4/h2*2,4,6,8,10H,3,5,7H2,1H3;(H2,1,2,3,4)/t2*10-;/m00./s1",IECQULMJVNSKDB-RCWTXCDDSA-N,C20H30N4O4S,422.5,422.1987766,,115,228,0,2,8,2,29,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
BIS(DIPHENYLARSINO)ETHANE,004431-24-7,20488,2-diphenylarsanylethyl(diphenyl)arsane,C1=CC=C(C=C1)[As](CC[As](C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4,"InChI=1S/C26H24As2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2",PZEXNMSXAVGEAP-UHFFFAOYSA-N,C26H24As2,486.3,486.03099,,0,336,0,0,0,7,28,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
N2-ISOBUTYRYL-3'-O-BENZOYL-2'-DEOXYGUANOSINE,063660-23-1,135445740,"[(2R,3S,5R)-2-(hydroxymethyl)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl] benzoate",CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2[C@H]3C[C@@H]([C@H](O3)CO)OC(=O)C4=CC=CC=C4,"InChI=1S/C21H23N5O6/c1-11(2)18(28)24-21-23-17-16(19(29)25-21)22-10-26(17)15-8-13(14(9-27)31-15)32-20(30)12-6-4-3-5-7-12/h3-7,10-11,13-15,27H,8-9H2,1-2H3,(H2,23,24,25,28,29)/t13-,14+,15+/m0/s1",LIOWMNSJEHKBBW-RRFJBIMHSA-N,C21H23N5O6,441.4,441.1648335,1.1,144,768,0,3,8,7,32,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
7-DEAZA-2'-DEOXYGUANOSINE 5'-TRIPHOSPHATE LITHIUM,101515-08-6,135544179,"[[(2R,3S,5R)-5-(2-amino-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate",C1[C@@H]([C@H](O[C@H]1N2C=CC3=C2N=C(NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O,"InChI=1S/C11H17N4O13P3/c12-11-13-9-5(10(17)14-11)1-2-15(9)8-3-6(16)7(26-8)4-25-30(21,22)28-31(23,24)27-29(18,19)20/h1-2,6-8,16H,3-4H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,12,13,14,17)/t6-,7+,8+/m0/s1",DLLXAZJTLIUPAI-XLPZGREQSA-N,C11H17N4O13P3,506.19,506.0004976,-5.3,262,894,0,7,14,8,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"N,N'-DISUCCINIMIDYL CARBONATE",074124-79-1,676246,"bis(2,5-dioxopyrrolidin-1-yl) carbonate",C1CC(=O)N(C1=O)OC(=O)ON2C(=O)CCC2=O,InChI=1S/C9H8N2O7/c12-5-1-2-6(13)10(5)17-9(16)18-11-7(14)3-4-8(11)15/h1-4H2,PFYXSUNOLOJMDX-UHFFFAOYSA-N,C9H8N2O7,256.17,256.0331506,-1.3,110,386,0,0,7,4,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
D-MANDELONITRILE-BETA-D-GLUCOSIDE,000099-18-3,119033,"(2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile",C1=CC=C(C=C1)[C@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",ZKSZEJFBGODIJW-GMDXDWKASA-N,C14H17NO6,295.29,295.1055873,-0.7,123,377,0,4,7,4,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"1,6,7,8,9,11A-BETA,12,13,14,14A-ALPHA-DECAHYDRO-1-BETA-13-ALPHA-DIHYDROXY-6-BETA-METHYL-4H-CYCLOPENT(F)OXACYCLOTRIDECIN-4-ONE",020350-15-6,5287620,"(1R,2R,3E,7S,11E,13S,15S)-2,15-dihydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one",C[C@H]1CCC/C=C/[C@@H]2C[C@@H](C[C@H]2[C@@H](/C=C/C(=O)O1)O)O,"InChI=1S/C16H24O4/c1-11-5-3-2-4-6-12-9-13(17)10-14(12)15(18)7-8-16(19)20-11/h4,6-8,11-15,17-18H,2-3,5,9-10H2,1H3/b6-4+,8-7+/t11-,12+,13-,14+,15+/m0/s1",KQNZDYYTLMIZCT-KQPMLPITSA-N,C16H24O4,280.36,280.1674592,2,66.8,388,0,2,4,0,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,4A-ALPHA,5,7A-ALPHA-TETRAHYDRO-1-HYDROXY-7-(HYDROXYMETHYL)CYCLOPENTA(C)PYRAN-4-CARBOXYLIC ACID, METHYL ESTER",006902-77-8,442424,"methyl (1R,4aS,7aS)-1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate",COC(=O)C1=CO[C@H]([C@H]2[C@@H]1CC=C2CO)O,"InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1",AZKVWQKMDGGDSV-BCMRRPTOSA-N,C11H14O5,226.23,226.0841235,-0.7,76,357,0,2,5,3,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TRIPHENYLSTIBINE OXIDE,004756-75-6,78497,diphenylstiborylbenzene,C1=CC=C(C=C1)[Sb](=O)(C2=CC=CC=C2)C3=CC=CC=C3,InChI=1S/3C6H5.O.Sb/c3*1-2-4-6-5-3-1;;/h3*1-5H;;,RIBJLXBLWQKWLO-UHFFFAOYSA-N,C18H15OSb,369.1,368.0161,,17.1,281,0,0,1,3,20,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclopropanepropionic acid, alpha-amino-2-methylene-, L-(+)-",000156-56-9,45039541,(2S)-2-amino-3-(2-methylidenecyclopropyl)propanoic acid,C=C1CC1C[C@@H](C(=O)O)N,"InChI=1S/C7H11NO2/c1-4-2-5(4)3-6(8)7(9)10/h5-6H,1-3,8H2,(H,9,10)/t5?,6-/m0/s1",OOJZCXFXPZGUBJ-GDVGLLTNSA-N,C7H11NO2,141.17,141.0789786,-2.5,63.3,176,0,2,3,3,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-PYRIDINEMETHANAMINE, N-(2-PYRIDINYLMETHYL)-",001539-42-0,73759,1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine,C1=CC=NC(=C1)CNCC2=CC=CC=N2,"InChI=1S/C12H13N3/c1-3-7-14-11(5-1)9-13-10-12-6-2-4-8-15-12/h1-8,13H,9-10H2",KXZQYLBVMZGIKC-UHFFFAOYSA-N,C12H13N3,199.25,199.1109474,0.7,37.8,154,0,1,3,4,15,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Thiophenecarboxamide, N-(5-nitro-2-thiazolyl)-",003810-35-3,19646,"N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide",C1=CSC(=C1)C(=O)NC2=NC=C(S2)[N+](=O)[O-],"InChI=1S/C8H5N3O3S2/c12-7(5-2-1-3-15-5)10-8-9-4-6(16-8)11(13)14/h1-4H,(H,9,10,12)",ZLOXYEZYWCTXHU-UHFFFAOYSA-N,C8H5N3O3S2,255.3,254.9772334,3,144,297,0,1,6,2,16,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0
"TIN, DICHLORO[29H,31H-PHTHALOCYANINATO(2-)-N29,N30,N31,N32]-, (OC-6-12)-",018253-54-8,136342853,"dichlorotin;2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene",C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C(N5)N=C7C8=CC=CC=C8C(=N7)N=C2N3)C9=CC=CC=C94.Cl[Sn]Cl,"InChI=1S/C32H18N8.2ClH.Sn/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;;;/h1-16H,(H2,33,34,35,36,37,38,39,40);2*1H;/q;;;+2/p-2",UMSNJJNVTLZIFY-UHFFFAOYSA-L,C32H18Cl2N8Sn,704.2,704.005351,,109,780,0,2,6,0,43,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-Thiophenecarboxamide, 5-(2-((3-((1,1-dimethylethyl)amino)-2-hydroxypropyl)th",068377-91-3,155032,"5-[2-[3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide;hydrochloride",CC(C)(C)NCC(CSC1=NC(=CS1)C2=CC=C(S2)C(=O)N)O.Cl,"InChI=1S/C15H21N3O2S3.ClH/c1-15(2,3)17-6-9(19)7-21-14-18-10(8-22-14)11-4-5-12(23-11)13(16)20;/h4-5,8-9,17,19H,6-7H2,1-3H3,(H2,16,20);1H",XXDAXBZYUXLDRD-UHFFFAOYSA-N,C15H22ClN3O2S3,408,407.0562682,,170,406,0,4,7,8,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-PHENYL-1-(PHENYLMETHYL)-",072846-00-5,166340,"1-benzyl-5-phenyl-1,3-diazinane-2,4,6-trione",C1=CC=C(C=C1)CN2C(=O)C(C(=O)NC2=O)C3=CC=CC=C3,"InChI=1S/C17H14N2O3/c20-15-14(13-9-5-2-6-10-13)16(21)19(17(22)18-15)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,18,20,22)",KCWWCWMGJOWTMY-UHFFFAOYSA-N,C17H14N2O3,294.3,294.1004423,2.2,66.5,451,0,1,3,3,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3(2H)-Pyridazinone, 4,5-dihydro-6-(2-(4-methoxyphenyl)-1H-benzimidazol-5-yl)-5",074150-27-9,4823,"3-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one",CC1CC(=O)NN=C1C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)OC,"InChI=1S/C19H18N4O2/c1-11-9-17(24)22-23-18(11)13-5-8-15-16(10-13)21-19(20-15)12-3-6-14(25-2)7-4-12/h3-8,10-11H,9H2,1-2H3,(H,20,21)(H,22,24)",GLBJJMFZWDBELO-UHFFFAOYSA-N,C19H18N4O2,334.4,334.1429758,2.7,79.4,530,0,2,4,3,25,,,0,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"Phenol, 4-((7-chloro-2-methoxybenzo(b)-1,5-naphthyridin-10-yl)amino)-2,6-bis(1",076748-86-2,156867,"4-[(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol;phosphoric acid",COC1=NC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NC4=CC(=C(C(=C4)CN5CCCC5)O)CN6CCCC6.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O,"InChI=1S/C29H32ClN5O2.4H3O4P/c1-37-26-9-8-24-28(33-26)27(23-7-6-21(30)16-25(23)32-24)31-22-14-19(17-34-10-2-3-11-34)29(36)20(15-22)18-35-12-4-5-13-35;4*1-5(2,3)4/h6-9,14-16,36H,2-5,10-13,17-18H2,1H3,(H,31,32);4*(H3,1,2,3,4)",YKUQEKXHQFYULM-UHFFFAOYSA-N,C29H44ClN5O18P4,910,909.1320353,,385,757,0,14,23,7,57,,,0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0
"4-Quinolinepropanoic acid, 1,2-dihydro-alpha-((4-chlorobenzoyl)amino)-2-oxo-,",090098-04-7,5042,2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid,C1=CC=C2C(=C1)C(=CC(=O)N2)CC(C(=O)O)NC(=O)C3=CC=C(C=C3)Cl,"InChI=1S/C19H15ClN2O4/c20-13-7-5-11(6-8-13)18(24)22-16(19(25)26)9-12-10-17(23)21-15-4-2-1-3-14(12)15/h1-8,10,16H,9H2,(H,21,23)(H,22,24)(H,25,26)",ALLWOAVDORUJLA-UHFFFAOYSA-N,C19H15ClN2O4,370.8,370.0720347,2.4,95.5,598,0,3,4,5,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-1,2,4-Triazole-1-ethanol, alpha-(4-chlorophenyl)-alpha-(1-cyclopropylethyl)",094361-06-5,86132,"2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol",CC(C1CC1)C(CN2C=NC=N2)(C3=CC=C(C=C3)Cl)O,"InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3",UFNOUKDBUJZYDE-UHFFFAOYSA-N,C15H18ClN3O,291.77,291.1138399,2.9,50.9,331,0,1,3,5,20,,>250 °C,1,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE",105650-23-5,1530,"1-methyl-6-phenylimidazo[4,5-b]pyridin-2-amine",CN1C2=C(N=CC(=C2)C3=CC=CC=C3)N=C1N,"InChI=1S/C13H12N4/c1-17-11-7-10(9-5-3-2-4-6-9)8-15-12(11)16-13(17)14/h2-8H,1H3,(H2,14,15,16)",UQVKZNNCIHJZLS-UHFFFAOYSA-N,C13H12N4,224.26,224.1061964,2.2,56.7,264,0,1,3,1,17,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyanamide, (3-((6-chloro-3-pyridinyl)methyl)-2-thiazolidinylidene)-",111988-49-9,115224,"[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide",C1CSC(=NC#N)N1CC2=CN=C(C=C2)Cl,"InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2",HOKKPVIRMVDYPB-UHFFFAOYSA-N,C10H9ClN4S,252.72,252.0236452,2.2,77.6,324,0,0,4,2,16,,,1,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1
"1H-Stannole-2,5-dione, 1,1-dibutyl-",015465-08-4,16684310,"2,2-dibutyl-1,3,2-dioxastannepine-4,7-dione",CCCC[Sn]1(OC(=O)C=CC(=O)O1)CCCC,"InChI=1S/C4H4O4.2C4H9.Sn/c5-3(6)1-2-4(7)8;2*1-3-4-2;/h1-2H,(H,5,6)(H,7,8);2*1,3-4H2,2H3;/q;;;+2/p-2",ZBBLRPRYYSJUCZ-UHFFFAOYSA-L,C12H20O4Sn,346.99,348.038362,,52.6,282,0,0,4,6,17,,,1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENAMINE, AR,AR-DIMETHYL-",001300-73-8,56846457,"2,3-dimethylaniline;2,4-dimethylaniline;2,5-dimethylaniline;2,6-dimethylaniline;3,4-dimethylaniline;3,5-dimethylaniline",CC1=CC(=C(C=C1)N)C.CC1=CC(=C(C=C1)C)N.CC1=C(C(=CC=C1)N)C.CC1=C(C(=CC=C1)C)N.CC1=C(C=C(C=C1)N)C.CC1=CC(=CC(=C1)N)C,"InChI=1S/6C8H11N/c1-6-3-7(2)5-8(9)4-6;1-6-3-4-8(9)5-7(6)2;1-6-3-4-8(9)7(2)5-6;1-6-3-4-7(2)8(9)5-6;1-6-4-3-5-8(9)7(6)2;1-6-4-3-5-7(2)8(6)9/h6*3-5H,9H2,1-2H3",CDULGHZNHURECF-UHFFFAOYSA-N,C48H66N6,727.1,726.5348961,,156,523,0,6,6,0,54,"206 °F (2,3-) (NIOSH, 2024)","415 to 439 °F at 760 mmHg (NIOSH, 2024)",0,1,1,1,0,1,1,1,0,0,0,0,0,0,0,0,1,0,1,0
CYCLOSPORIN A,059865-13-3,5284373,"(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone",CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C,"InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1",PMATZTZNYRCHOR-CGLBZJNRSA-N,C62H111N11O12,1202.6,1201.841368,7.5,279,2330,0,5,12,15,85,,,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"N,N'-HEXAMETHYLENEDIMALEIMIDE",004856-87-5,20992,"1-[6-(2,5-dioxopyrrol-1-yl)hexyl]pyrrole-2,5-dione",C1=CC(=O)N(C1=O)CCCCCCN2C(=O)C=CC2=O,"InChI=1S/C14H16N2O4/c17-11-5-6-12(18)15(11)9-3-1-2-4-10-16-13(19)7-8-14(16)20/h5-8H,1-4,9-10H2",PYVHLZLQVWXBDZ-UHFFFAOYSA-N,C14H16N2O4,276.29,276.111007,0.2,74.8,425,0,0,4,7,20,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
3-((AMINOCARBONYL)AMINO)-5-(3-FLUOROPHENYL)-N-(3S)-3-PIPERIDINYL-2-THIOPHENECARBOXAMIDE,860352-01-8,11152667,3-(carbamoylamino)-5-(3-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide,C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N,"InChI=1S/C17H19FN4O2S/c18-11-4-1-3-10(7-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-5-2-6-20-9-12/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1",IAYGCINLNONXHY-LBPRGKRZSA-N,C17H19FN4O2S,362.4,362.1212752,2.3,124,495,0,4,5,4,25,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"17-alpha-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7-alpha-mercapto-3-oxo-, g",000052-01-7,5833,"S-[(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-yl] ethanethioate",CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C,"InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1",LXMSZDCAJNLERA-ZHYRCANASA-N,C24H32O4S,416.6,416.2021307,2.9,85.7,818,0,0,5,2,29,,134 °C,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"NAPHTH[1,2-D]OXAZOLE, 2-METHYL-",000085-15-4,66555,"2-methylbenzo[e][1,3]benzoxazole",CC1=NC2=C(O1)C=CC3=CC=CC=C32,"InChI=1S/C12H9NO/c1-8-13-12-10-5-3-2-4-9(10)6-7-11(12)14-8/h2-7H,1H3",JCTNVNANPZAULC-UHFFFAOYSA-N,C12H9NO,183.21,183.0684139,3.4,26,218,0,0,2,0,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(3H)-BENZOTHIAZOLETHIONE, POTASSIUM SALT",007778-70-3,23686450,"potassium 1,3-benzothiazol-3-ide-2-thione",C1=CC=C2C(=C1)[N-]C(=S)S2.[K+],"InChI=1S/C7H5NS2.K/c9-7-8-5-3-1-2-4-6(5)10-7;/h1-4H,(H,8,9);/q;+1/p-1",ZKTKNAXWCMIKLK-UHFFFAOYSA-M,C7H4KNS2,205.3,204.942223,,58.4,163,0,0,3,0,11,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"LEAD, [.MU.-[1,2-BENZENEDICARBOXYLATO(2-)-O1:O2]]DI-.MU.-OXOTRI-, CYCLO-",017976-43-1,16684029,"3,5,7,9-tetraoxa-4lambda2,6lambda2,8lambda2-triplumbabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,10-dione",C1=CC=C2C(=C1)C(=O)O[Pb]O[Pb]O[Pb]OC2=O,"InChI=1S/C8H6O4.2O.3Pb/c9-7(10)5-3-1-2-4-6(5)8(11)12;;;;;/h1-4H,(H,9,10)(H,11,12);;;;;/q;;;;2*+1/p-2",NKQZGKXBBHMXPR-UHFFFAOYSA-L,C8H4O6Pb3,820,817.92856,,71.1,271,0,0,6,0,17,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"QUINOLINIUM, 1-(1-NAPHTHALENYLMETHYL)-, CHLORIDE",065322-65-8,103359,1-(naphthalen-1-ylmethyl)quinolin-1-ium chloride,C1=CC=C2C(=C1)C=CC=C2C[N+]3=CC=CC4=CC=CC=C43.[Cl-],"InChI=1S/C20H16N.ClH/c1-3-12-19-16(7-1)9-5-10-18(19)15-21-14-6-11-17-8-2-4-13-20(17)21;/h1-14H,15H2;1H/q+1;/p-1",SDRNROHXGLGJSB-UHFFFAOYSA-M,C20H16ClN,305.8,305.0971272,,3.9,339,0,0,1,2,22,,,0,0,0,1,0,1,1,1,0,0,1,0,0,0,0,0,1,0,0,0
"CUPRATE(3-), [29H,31H-PHTHALOCYANINE-C,C,C-TRISULFONATO(5-)-N29,N30,N31,N32]-,",066142-99-2,11979840,"copper;tris(1,2-bis(2-methylphenyl)guanidine);2,11,20,29,38,39-hexaza-37,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28(38),29,31(36),32,34-nonadecaene-6,15,34-trisulfonate;hydron",[H+].[H+].[H+].CC1=CC=CC=C1NC(=NC2=CC=CC=C2C)N.CC1=CC=CC=C1NC(=NC2=CC=CC=C2C)N.CC1=CC=CC=C1NC(=NC2=CC=CC=C2C)N.C1=CC=C2C(=C1)C3=NC2=NC4=NC(=NC5=C6C=CC(=CC6=C([N-]5)N=C7C8=C(C=CC(=C8)S(=O)(=O)[O-])C(=N3)[N-]7)S(=O)(=O)[O-])C9=C4C=CC(=C9)S(=O)(=O)[O-].[Cu+2],"InChI=1S/C32H16N8O9S3.3C15H17N3.Cu/c41-50(42,43)14-5-8-19-22(11-14)30-36-27(19)34-25-17-3-1-2-4-18(17)26(33-25)35-28-20-9-6-15(51(44,45)46)12-23(20)31(37-28)40-32-24-13-16(52(47,48)49)7-10-21(24)29(38-30)39-32;3*1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2;/h1-13H,(H3-2,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49);3*3-10H,1-2H3,(H3,16,17,18);/q-2;;;;+2",SKQLXTDCFSNFJN-UHFFFAOYSA-N,C77H67CuN17O9S3,1534.2,1532.376577,,427,1940,0,9,20,9,107,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
HYDRAMETHYLNON,067485-29-4,49901,"N-[1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-ylideneamino]-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine",CC1(CNC(=NC1)NN=C(C=CC2=CC=C(C=C2)C(F)(F)F)C=CC3=CC=C(C=C3)C(F)(F)F)C,"InChI=1S/C25H24F6N4/c1-23(2)15-32-22(33-16-23)35-34-21(13-7-17-3-9-19(10-4-17)24(26,27)28)14-8-18-5-11-20(12-6-18)25(29,30)31/h3-14H,15-16H2,1-2H3,(H2,32,33,35)",IQVNEKKDSLOHHK-UHFFFAOYSA-N,C25H24F6N4,494.5,494.1905158,6.4,48.8,763,0,2,8,6,35,>220 °F (SFCC),,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0
"Butanedioic acid, compd. with N(sup 4)-(2,6-dimethoxy-4-methyl-5-(3-(trifluoro",106635-81-8,163761,"butanedioic acid;4-N-[2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine",CC1=CC(=NC2=C1C(=C(C=C2NC(C)CCCN)OC)OC3=CC=CC(=C3)C(F)(F)F)OC.C(CC(=O)O)C(=O)O,"InChI=1S/C24H28F3N3O3.C4H6O4/c1-14-11-20(32-4)30-22-18(29-15(2)7-6-10-28)13-19(31-3)23(21(14)22)33-17-9-5-8-16(12-17)24(25,26)27;5-3(6)1-2-4(7)8/h5,8-9,11-13,15,29H,6-7,10,28H2,1-4H3;1-2H2,(H,5,6)(H,7,8)",CQBKFGJRAOXYIP-UHFFFAOYSA-N,C28H34F3N3O7,581.6,581.2348849,,153,690,0,4,13,12,41,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,1,0,0,1,1,0
"2,2'-DIHYDROXY-(2,2'-BIINDAN)-1,1'3,3'-TETRONE",005103-42-4,21183,"2-hydroxy-2-(2-hydroxy-1,3-dioxoinden-2-yl)indene-1,3-dione",C1=CC=C2C(=C1)C(=O)C(C2=O)(C3(C(=O)C4=CC=CC=C4C3=O)O)O,"InChI=1S/C18H10O6/c19-13-9-5-1-2-6-10(9)14(20)17(13,23)18(24)15(21)11-7-3-4-8-12(11)16(18)22/h1-8,23-24H",LWFPYLZOVOCBPZ-UHFFFAOYSA-N,C18H10O6,322.3,322.047738,1.1,109,546,0,2,6,1,24,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2,3-CYCLOHEXENOPYRIDINE",010500-57-9,66335,"5,6,7,8-tetrahydroquinoline",C1CCC2=C(C1)C=CC=N2,"InChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h3,5,7H,1-2,4,6H2",YQDGQEKUTLYWJU-UHFFFAOYSA-N,C9H11N,133.19,133.0891494,2.1,12.9,111,0,0,1,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SUBSTANCE P,033507-63-0,36511,"(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide",CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCN=C(N)N)N,"InChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1",ADNPLDHMAVUMIW-CUZNLEPHSA-N,C63H98N18O13S,1347.6,1346.728146,-2.3,544,2620,0,15,17,42,95,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"7,8-BENZOQUINOLINE",000230-27-3,9191,benzo[h]quinoline,C1=CC=C2C(=C1)C=CC3=C2N=CC=C3,InChI=1S/C13H9N/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12/h1-9H,WZJYKHNJTSNBHV-UHFFFAOYSA-N,C13H9N,179.22,179.0734993,3.4,12.9,201,0,0,1,0,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ALLOXAN MONOHYDRATE,002244-11-3,16723,"1,3-diazinane-2,4,5,6-tetrone;hydrate",C1(=O)C(=O)NC(=O)NC1=O.O,"InChI=1S/C4H2N2O4.H2O/c7-1-2(8)5-4(10)6-3(1)9;/h(H2,5,6,8,9,10);1H2",DSXMTJRUNLATRP-UHFFFAOYSA-N,C4H4N2O5,160.09,160.0120212,,93.3,222,0,3,5,0,11,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
SPIPERONE,000749-02-0,5265,"8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one",C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(=O)C4=CC=C(C=C4)F,"InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)",DKGZKTPJOSAWFA-UHFFFAOYSA-N,C23H26FN3O2,395.5,395.2009052,3,52.7,577,0,1,5,6,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"2,3-NAPTHO-15-CROWN-5",017454-47-6,2760173,"2,5,8,11,14-pentaoxatricyclo[13.8.0.017,22]tricosa-1(23),15,17,19,21-pentaene",C1COCCOC2=CC3=CC=CC=C3C=C2OCCOCCO1,"InChI=1S/C18H22O5/c1-2-4-16-14-18-17(13-15(16)3-1)22-11-9-20-7-5-19-6-8-21-10-12-23-18/h1-4,13-14H,5-12H2",BDTDDXDRCOLVNJ-UHFFFAOYSA-N,C18H22O5,318.4,318.1467238,2.2,46.2,295,0,0,5,0,23,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
N-(4-(OXIRANYLMETHOXY)PHENYL)-N-(OXIRANYLMETHYL)OXIRANEMETHANAMINE,005026-74-4,62558,"4-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline",C1C(O1)CN(CC2CO2)C3=CC=C(C=C3)OCC4CO4,"InChI=1S/C15H19NO4/c1-3-12(17-9-15-10-20-15)4-2-11(1)16(5-13-7-18-13)6-14-8-19-14/h1-4,13-15H,5-10H2",AHIPJALLQVEEQF-UHFFFAOYSA-N,C15H19NO4,277.31,277.1314081,1.1,50.1,318,0,0,5,8,20,,,0,0,0,1,0,1,1,1,0,0,1,0,0,0,0,0,1,1,1,1
TRIS(2-(DIPHENYLPHOSPHINO)ETHYL)PHOSPHINE,023582-03-8,98777,tris(2-diphenylphosphanylethyl)phosphane,C1=CC=C(C=C1)P(CCP(CCP(C2=CC=CC=C2)C3=CC=CC=C3)CCP(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6,"InChI=1S/C42H42P4/c1-7-19-37(20-8-1)44(38-21-9-2-10-22-38)34-31-43(32-35-45(39-23-11-3-12-24-39)40-25-13-4-14-26-40)33-36-46(41-27-15-5-16-28-41)42-29-17-6-18-30-42/h1-30H,31-36H2",TVLNGWSWPKIYAO-UHFFFAOYSA-N,C42H42P4,670.7,670.2236993,8.4,0,623,0,0,0,15,46,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DELTA (9-11) TETRAHYDROCANNABINOL,016849-44-8,167577,"(6aR,10aR)-6,6-dimethyl-9-methylidene-3-pentyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-1-ol",CCCCCC1=CC(=C2[C@@H]3CC(=C)CC[C@H]3C(OC2=C1)(C)C)O,"InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h12-13,16-17,22H,2,5-11H2,1,3-4H3/t16-,17-/m1/s1",AOYYFUGUUIRBML-IAGOWNOFSA-N,C21H30O2,314.5,314.2245802,7,29.5,428,0,1,2,4,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
TETRAHYDROBERBERINE,000522-97-4,34458,"16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaene",COC1=C(C2=C(CC3C4=CC5=C(C=C4CCN3C2)OCO5)C=C1)OC,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",VZTUIEROBZXUFA-UHFFFAOYSA-N,C20H21NO4,339.4,339.1470582,3.1,40.2,488,0,0,5,2,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TRIPHENYLBISMUTHINE,000603-33-8,11774,triphenylbismuthane,C1=CC=C(C=C1)[Bi](C2=CC=CC=C2)C3=CC=CC=C3,InChI=1S/3C6H5.Bi/c3*1-2-4-6-5-3-1;/h3*1-5H;,ZHXAZZQXWJJBHA-UHFFFAOYSA-N,C18H15Bi,440.3,440.09777,,0,202,0,0,0,3,19,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,1'-(1,4-BUTANEDIYL)BIS[1,1-DIPHENYLPHOSPHINE)",007688-25-7,82124,4-diphenylphosphanylbutyl(diphenyl)phosphane,C1=CC=C(C=C1)P(CCCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4,"InChI=1S/C28H28P2/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22H,13-14,23-24H2",BCJVBDBJSMFBRW-UHFFFAOYSA-N,C28H28P2,426.5,426.1666249,6.6,0,362,0,0,0,9,30,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
GLYBENCLAMIDE,010238-21-8,3488,5-chloro-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide,COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3,"InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)",ZNNLBTZKUZBEKO-UHFFFAOYSA-N,C23H28ClN3O5S,494,493.1438199,4.8,122,746,0,3,5,8,33,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
5-BROMO-4-CHLORO-3-INDOLYL-BETA-D-GLUCURONIDE MONOCYCLOHEXYLAMINE SALT,114162-64-0,2733578,"(2S,3S,4S,5R,6S)-6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;cyclohexanamine",C1CCC(CC1)N.C1=CC(=C(C2=C1NC=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)Cl)Br,"InChI=1S/C14H13BrClNO7.C6H13N/c15-4-1-2-5-7(8(4)16)6(3-17-5)23-14-11(20)9(18)10(19)12(24-14)13(21)22;7-6-4-2-1-3-5-6/h1-3,9-12,14,17-20H,(H,21,22);6H,1-5,7H2/t9-,10-,11+,12-,14+;/m0./s1",JXCKZXHCJOVIAV-CYRSAHDMSA-N,C20H26BrClN2O7,521.8,520.06119,,158,532,0,6,8,3,31,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"6-[4-(2-PIPERIDIN-1-YLETHOXY)PHENYL]-3-PYRIDIN-4-YLPYRAZOLO[1,5-A]PYRIMIDINE",866405-64-3,11524144,"6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine",C1CCN(CC1)CCOC2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC=C5)N=C3,"InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2",XHBVYDAKJHETMP-UHFFFAOYSA-N,C24H25N5O,399.5,399.2059104,3.4,55.6,514,0,0,5,6,30,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TRIS(2-PYRIDYLMETHYL)AMINE,016858-01-8,379259,"1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine",C1=CC=NC(=C1)CN(CC2=CC=CC=N2)CC3=CC=CC=N3,"InChI=1S/C18H18N4/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18/h1-12H,13-15H2",VGUWFGWZSVLROP-UHFFFAOYSA-N,C18H18N4,290.4,290.1531466,1.6,41.9,262,0,0,4,6,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-(1H-PYRAZOL-4-YL)PYRIDINE,439106-75-9,3578981,2-(1H-pyrazol-4-yl)pyridine,C1=CC=NC(=C1)C2=CNN=C2,"InChI=1S/C8H7N3/c1-2-4-9-8(3-1)7-5-10-11-6-7/h1-6H,(H,10,11)",ZXOXPYYAVFDCDK-UHFFFAOYSA-N,C8H7N3,145.16,145.0639972,0.8,41.6,127,0,1,2,1,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TOMATINE,017406-45-0,28523,"(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'S,6S,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-16-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol",C[C@H]1CC[C@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)C)C)C)NC1,"InChI=1S/C50H83NO21/c1-20-7-12-50(51-15-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(63)37(60)41(31(18-54)68-45)69-47-43(71-46-39(62)36(59)34(57)29(16-52)66-46)42(35(58)30(17-53)67-47)70-44-38(61)33(56)27(55)19-64-44/h20-47,51-63H,5-19H2,1-4H3/t20-,21-,22-,23-,24+,25-,26-,27+,28-,29+,30+,31+,32-,33-,34+,35+,36-,37+,38+,39+,40+,41-,42-,43+,44-,45+,46-,47-,48-,49-,50-/m0/s1",REJLGAUYTKNVJM-SGXCCWNXSA-N,C50H83NO21,1034.2,1033.545759,-0.7,338,1840,0,13,22,11,72,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
RUPHOS PD G2,1375325-68-0,77146530,"chloropalladium(1+);dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;2-phenylaniline",CC(C)OC1=C(C(=CC=C1)OC(C)C)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4.C1=CC=C([C-]=C1)C2=CC=CC=C2N.Cl[Pd+],"InChI=1S/C30H43O2P.C12H10N.ClH.Pd/c1-22(2)31-27-19-13-20-28(32-23(3)4)30(27)26-18-11-12-21-29(26)33(24-14-7-5-8-15-24)25-16-9-6-10-17-25;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;;/h11-13,18-25H,5-10,14-17H2,1-4H3;1-6,8-9H,13H2;1H;/q;-1;;+2/p-1",NVVXJVMOIGXUGC-UHFFFAOYSA-M,C42H53ClNO2PPd,776.7,775.25372,,44.5,778,0,1,4,9,48,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"DIMETHYL N,N'-(BIPHENYL-4,4'-DIYLBIS{1H-IMIDAZOLE-5,2-DIYL-((2S)-PYRROLIDINE-2,1- DIYL)((1S)-1-(1-METHYLETHYL)-2-OXOETHANE-2,1-DIYL)})DICARBAMATE",1009119-64-5,25154714,methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate,CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)[C@@H]6CCCN6C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC,"InChI=1S/C40H50N8O6/c1-23(2)33(45-39(51)53-5)37(49)47-19-7-9-31(47)35-41-21-29(43-35)27-15-11-25(12-16-27)26-13-17-28(18-14-26)30-22-42-36(44-30)32-10-8-20-48(32)38(50)34(24(3)4)46-40(52)54-6/h11-18,21-24,31-34H,7-10,19-20H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t31-,32-,33-,34-/m0/s1",FKRSSPOQAMALKA-CUPIEXAXSA-N,C40H50N8O6,738.9,738.3853313,5.1,175,1190,0,4,8,13,54,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CATHARANTHINE,002468-21-5,5458190,"methyl (1R,15R,18R)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,16-pentaene-1-carboxylate",CCC1=C[C@H]2C[C@]3([C@@H]1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC,"InChI=1S/C21H24N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,10,13,19,22H,3,8-9,11-12H2,1-2H3/t13-,19+,21-/m0/s1",CMKFQVZJOWHHDV-NQZBTDCJSA-N,C21H24N2O2,336.4,336.183778,2.8,45.3,603,0,1,3,3,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"N-SUCCINIMIDYL 4-[(5-AZA-3,4:7,8-DIBENZOCYCLOOCT-1-YNE)-5-YL]-4-OXOBUTYRATE",1353016-71-3,77078178,"(2,5-dioxopyrrolidin-1-yl) 4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoate",C1CC(=O)N(C1=O)OC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42,"InChI=1S/C23H18N2O5/c26-20(13-14-23(29)30-25-21(27)11-12-22(25)28)24-15-18-7-2-1-5-16(18)9-10-17-6-3-4-8-19(17)24/h1-8H,11-15H2",XCEBOJWFQSQZKR-UHFFFAOYSA-N,C23H18N2O5,402.4,402.1215717,1.7,84,778,0,0,5,5,30,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-OXAZINAN-2-ONE",005259-97-2,641496,"1,3-oxazinan-2-one",C1CNC(=O)OC1,"InChI=1S/C4H7NO2/c6-4-5-2-1-3-7-4/h1-3H2,(H,5,6)",OYELEBBISJGNHJ-UHFFFAOYSA-N,C4H7NO2,101.1,101.0476785,0.1,38.3,81,0,1,2,0,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4CZIPN,1416881-52-1,102198498,"2,4,5,6-tetra(carbazol-9-yl)benzene-1,3-dicarbonitrile",C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=C(C(=C(C(=C4C#N)N5C6=CC=CC=C6C7=CC=CC=C75)N8C9=CC=CC=C9C1=CC=CC=C18)N1C2=CC=CC=C2C2=CC=CC=C21)C#N,InChI=1S/C56H32N6/c57-33-43-53(59-45-25-9-1-17-35(45)36-18-2-10-26-46(36)59)44(34-58)55(61-49-29-13-5-21-39(49)40-22-6-14-30-50(40)61)56(62-51-31-15-7-23-41(51)42-24-8-16-32-52(42)62)54(43)60-47-27-11-3-19-37(47)38-20-4-12-28-48(38)60/h1-32H,PRWATGACIORDEL-UHFFFAOYSA-N,C56H32N6,788.9,788.2688451,13.7,67.3,1560,0,0,2,4,62,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9H-CARBAZOLE-3-CARBOXAMIDE, N-(4-CHLOROPHENYL)-2-HYDROXY-",000132-61-6,67238,N-(4-chlorophenyl)-2-hydroxy-9H-carbazole-3-carboxamide,C1=CC=C2C(=C1)C3=CC(=C(C=C3N2)O)C(=O)NC4=CC=C(C=C4)Cl,"InChI=1S/C19H13ClN2O2/c20-11-5-7-12(8-6-11)21-19(24)15-9-14-13-3-1-2-4-16(13)22-17(14)10-18(15)23/h1-10,22-23H,(H,21,24)",PPLNRTPNYCWODC-UHFFFAOYSA-N,C19H13ClN2O2,336.8,336.0665554,5,65.1,466,0,3,2,2,24,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"2H-1,3,5-THIADIAZINE-2-THIONE, TETRAHYDRO-3,5-DIMETHYL-",000533-74-4,10788,"3,5-dimethyl-1,3,5-thiadiazinane-2-thione",CN1CN(C(=S)SC1)C,"InChI=1S/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3",QAYICIQNSGETAS-UHFFFAOYSA-N,C5H10N2S2,162.3,162.0285407,1.3,63.9,126,0,0,3,0,9,93 °C,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,5-TRIAZINE-2(1H)-THIONE, 4,6-DIAMINO-",000767-17-9,3000734,"2,6-diamino-1H-1,3,5-triazine-4-thione",C1(=NC(=S)N=C(N1)N)N,"InChI=1S/C3H5N5S/c4-1-6-2(5)8-3(9)7-1/h(H5,4,5,6,7,8,9)",HRIJSYATNFJXHM-UHFFFAOYSA-N,C3H5N5S,143.17,143.0265664,-1.2,121,184,0,3,1,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NORBORMIDE,000991-42-4,13814,"8-(hydroxy-phenyl-pyridin-2-ylmethyl)-10-[phenyl(pyridin-2-yl)methylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione",C1=CC=C(C=C1)C(=C2C3C=C(C2C4C3C(=O)NC4=O)C(C5=CC=CC=C5)(C6=CC=CC=N6)O)C7=CC=CC=N7,"InChI=1S/C33H25N3O3/c37-31-28-22-19-23(33(39,21-13-5-2-6-14-21)25-16-8-10-18-35-25)29(30(28)32(38)36-31)27(22)26(20-11-3-1-4-12-20)24-15-7-9-17-34-24/h1-19,22,28-30,39H,(H,36,37,38)",DNTHHIVFNQZZRD-UHFFFAOYSA-N,C33H25N3O3,511.6,511.1895917,3.1,92.2,1040,0,2,5,5,39,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4-PTERIDINEDIAMINE, 6,7-DIMETHYL-",001425-63-4,74023,"6,7-dimethylpteridine-2,4-diamine",CC1=C(N=C2C(=N1)C(=NC(=N2)N)N)C,"InChI=1S/C8H10N6/c1-3-4(2)12-7-5(11-3)6(9)13-8(10)14-7/h1-2H3,(H4,9,10,12,13,14)",NBGMCAGDMQPEBF-UHFFFAOYSA-N,C8H10N6,190.21,190.0966943,-0.1,104,210,0,2,6,0,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BROMAZEPAM,001812-30-2,2441,"7-bromo-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one",C1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3,"InChI=1S/C14H10BrN3O/c15-9-4-5-11-10(7-9)14(17-8-13(19)18-11)12-3-1-2-6-16-12/h1-7H,8H2,(H,18,19)",VMIYHDSEFNYJSL-UHFFFAOYSA-N,C14H10BrN3O,316.15,315.00072,1.7,54.4,385,0,1,3,1,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-CYCLOHEPTANEDIONE",003008-39-7,76365,"cycloheptane-1,2-dione",C1CCC(=O)C(=O)CC1,InChI=1S/C7H10O2/c8-6-4-2-1-3-5-7(6)9/h1-5H2,SLOCIJOTBVAMAJ-UHFFFAOYSA-N,C7H10O2,126.15,126.0680796,0.5,34.1,122,0,0,2,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,4-TRIAZOLIDINE-3,5-DIONE",003232-84-6,72916,"1,2,4-triazolidine-3,5-dione",C1(=O)NC(=O)NN1,"InChI=1S/C2H3N3O2/c6-1-3-2(7)5-4-1/h(H3,3,4,5,6,7)",UDATXMIGEVPXTR-UHFFFAOYSA-N,C2H3N3O2,101.06,101.0225263,-1.1,70.2,106,0,3,2,0,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-NAPHTHALENESULFONIC ACID, 4-HYDROXY-3-[[2-METHOXY-5-METHYL-4-[(4-SULFOPHENYL",006227-14-1,22594,disodium;7-anilino-4-hydroxy-3-[[2-methoxy-5-methyl-4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-2-sulfonate,CC1=CC(=C(C=C1N=NC2=CC=C(C=C2)S(=O)(=O)[O-])OC)N=NC3=C(C=C4C=C(C=CC4=C3O)NC5=CC=CC=C5)S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C30H25N5O8S2.2Na/c1-18-14-26(27(43-2)17-25(18)33-32-21-8-11-23(12-9-21)44(37,38)39)34-35-29-28(45(40,41)42)16-19-15-22(10-13-24(19)30(29)36)31-20-6-4-3-5-7-20;;/h3-17,31,36H,1-2H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2",WXYONRHRWMFURG-UHFFFAOYSA-L,C30H23N5Na2O8S2,691.6,691.0783436,,222,1210,0,2,13,7,47,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Morpholine, 4-(2-(5-nitroimidazol-1-yl)ethyl)-",006506-37-2,23009,4-[2-(5-nitroimidazol-1-yl)ethyl]morpholine,C1COCCN1CCN2C=NC=C2[N+](=O)[O-],"InChI=1S/C9H14N4O3/c14-13(15)9-7-10-8-12(9)2-1-11-3-5-16-6-4-11/h7-8H,1-6H2",MDJFHRLTPRPZLY-UHFFFAOYSA-N,C9H14N4O3,226.23,226.1065903,-0.4,76.1,239,0,0,5,3,16,,,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0
"1H-NAPHTH[2,3-F]ISOINDOLE-1,3,5,10(2H)-TETRONE, 4,11-DIAMINO-2-(3-METHOXYPROPY",012217-80-0,25530,"4,11-diamino-2-(3-methoxypropyl)naphtho[2,3-f]isoindole-1,3,5,10-tetrone",COCCCN1C(=O)C2=C(C3=C(C(=C2C1=O)N)C(=O)C4=CC=CC=C4C3=O)N,"InChI=1S/C20H17N3O5/c1-28-8-4-7-23-19(26)13-14(20(23)27)16(22)12-11(15(13)21)17(24)9-5-2-3-6-10(9)18(12)25/h2-3,5-6H,4,7-8,21-22H2,1H3",WBCXRDHKXHADQF-UHFFFAOYSA-N,C20H17N3O5,379.4,379.1168207,1.8,133,656,0,2,7,4,28,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANAMINIUM, 2-[ETHYL[3-METHYL-4-[(3-PHENYL-1,2,4-THIADIAZOL-5-YL)AZO]PHENYL]",028313-51-1,161599,"2-[N-ethyl-3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]anilino]ethyl-trimethylazanium;methyl sulfate",CCN(CC[N+](C)(C)C)C1=CC(=C(C=C1)N=NC2=NC(=NS2)C3=CC=CC=C3)C.COS(=O)(=O)[O-],"InChI=1S/C22H29N6S.CH4O4S/c1-6-27(14-15-28(3,4)5)19-12-13-20(17(2)16-19)24-25-22-23-21(26-29-22)18-10-8-7-9-11-18;1-5-6(2,3)4/h7-13,16H,6,14-15H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1",ABTAMTTWNRHXGT-UHFFFAOYSA-M,C23H32N6O4S2,520.7,520.1926459,,157,607,0,0,10,8,35,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Uracil, benzylthio-",033086-27-0,685814,6-benzyl-2-sulfanylidene-1H-pyrimidin-4-one,C1=CC=C(C=C1)CC2=CC(=O)NC(=S)N2,"InChI=1S/C11H10N2OS/c14-10-7-9(12-11(15)13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,12,13,14,15)",PNXBXCRWXNESOV-UHFFFAOYSA-N,C11H10N2OS,218.28,218.0513841,1.6,73.2,306,0,2,2,2,15,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CLOTIAZEPAM,033671-46-4,2811,"5-(2-chlorophenyl)-7-ethyl-1-methyl-3H-thieno[2,3-e][1,4]diazepin-2-one",CCC1=CC2=C(S1)N(C(=O)CN=C2C3=CC=CC=C3Cl)C,"InChI=1S/C16H15ClN2OS/c1-3-10-8-12-15(11-6-4-5-7-13(11)17)18-9-14(20)19(2)16(12)21-10/h4-8H,3,9H2,1-2H3",CHBRHODLKOZEPZ-UHFFFAOYSA-N,C16H15ClN2OS,318.8,318.059362,3.5,60.9,442,0,0,3,2,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,1
"3H-Imidazo(2,1-c)-1,2,4-dithiazole-3-thione, 5,6-dihydro-",033813-20-6,36603,"5,6-dihydroimidazo[2,1-c][1,2,4]dithiazole-3-thione",C1CN2C(=N1)SSC2=S,InChI=1S/C4H4N2S3/c7-4-6-2-1-5-3(6)8-9-4/h1-2H2,BFTGQIQVUVTBJU-UHFFFAOYSA-N,C4H4N2S3,176.3,175.9536617,0.8,98.3,188,0,0,4,0,9,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-THIAZOLAMINE, 4,5-DIHYDRO-4-IMINO-, MONOHYDROCHLORIDE",036518-76-0,2723857,"2-imino-5H-1,3-thiazol-4-amine;hydrochloride",C1C(=NC(=N)S1)N.Cl,"InChI=1S/C3H5N3S.ClH/c4-2-1-7-3(5)6-2;/h1H2,(H3,4,5,6);1H",ANDLBJXZBLTCDP-UHFFFAOYSA-N,C3H6ClN3S,151.62,150.9970961,,87.5,128,0,3,2,0,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,4,5-BENZENETETRACARBOXYLIC ACID, COMPD. WITH 4,5-DIHYDRO-2-PHENYL-1H-IMIDA",054553-91-2,162752,"benzene-1,2,4,5-tetracarboxylic acid;bis(2-phenyl-4,5-dihydro-1H-imidazole)",C1CN=C(N1)C2=CC=CC=C2.C1CN=C(N1)C2=CC=CC=C2.C1=C(C(=CC(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O,"InChI=1S/C10H6O8.2C9H10N2/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;2*1-2-4-8(5-3-1)9-10-6-7-11-9/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);2*1-5H,6-7H2,(H,10,11)",XSMMIZPIWZYHNL-UHFFFAOYSA-N,C28H26N4O8,546.5,546.1750638,,198,484,0,6,10,6,40,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"XANTHYLIUM, 9-(2-CARBOXYPHENYL)-3,6-BIS(DIETHYLAMINO)-, MOLYBDATEPHOSPHATE",063022-09-3,90474217,pentakis([9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium);dioxido(dioxo)molybdenum;phosphate,CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.[O-]P(=O)([O-])[O-].[O-][Mo](=O)(=O)[O-],"InChI=1S/5C28H30N2O3.Mo.H3O4P.4O/c5*1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;;1-5(2,3)4;;;;/h5*9-18H,5-8H2,1-4H3;;(H3,1,2,3,4);;;;/q;;;;;;;;;2*-1/p+2",UWTITZBRSJRQRM-UHFFFAOYSA-P,C140H155MoN10O23P,2472.7,2474.009177,,430,910,0,5,28,35,175,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"3H-DIBENZ[F,IJ]ISOQUINOLINE-2,7-DIONE, 1-ACETYL-6-BROMO-4-METHYL-",063723-54-6,114132,"10-bromo-16-(1-hydroxyethylidene)-12-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione",CC1=CC(=C2C3=C(C4=CC=CC=C4C2=O)C(=C(C)O)C(=O)N=C13)Br,"InChI=1S/C19H12BrNO3/c1-8-7-12(20)15-16-14(10-5-3-4-6-11(10)18(15)23)13(9(2)22)19(24)21-17(8)16/h3-7,22H,1-2H3",QJHXPYKLCBXHLR-UHFFFAOYSA-N,C19H12BrNO3,382.2,381.00006,3.2,66.7,854,0,1,3,0,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Imidazole, 1-(2-((2-chloro-3-thienyl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-",065899-73-2,5482,"1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole",C1=CC(=C(C=C1Cl)Cl)C(CN2C=CN=C2)OCC3=C(SC=C3)Cl,"InChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19/h1-7,10,15H,8-9H2",QXHHHPZILQDDPS-UHFFFAOYSA-N,C16H13Cl3N2OS,387.7,385.981417,5.3,55.3,379,0,0,3,6,23,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,1,0,0
"5,8-METHANO-2H-1-BENZOPYRAN-2-ONE, 6-ETHYLIDENEOCTAHYDRO-",069486-14-2,6437737,"(9E)-9-ethylidene-3-oxatricyclo[6.2.1.02,7]undecan-4-one",C/C=C/1\CC2CC1C3C2OC(=O)CC3,"InChI=1S/C12H16O2/c1-2-7-5-8-6-10(7)9-3-4-11(13)14-12(8)9/h2,8-10,12H,3-6H2,1H3/b7-2+",LLVFKEOMLYDSGT-FARCUNLSSA-N,C12H16O2,192.25,192.1150297,1.7,26.3,305,0,0,2,0,14,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-1,2,4-TRIAZOLIUM, 5-[[4-(DIETHYLAMINO)PHENYL]AZO]-1,4-DIMETHYL-,CHLORIDE",073398-77-3,44149271,"4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]-N,N-diethylaniline chloride",CCN(CC)C1=CC=C(C=C1)N=NC2=[N+](C=NN2C)C.[Cl-],"InChI=1S/C14H21N6.ClH/c1-5-20(6-2)13-9-7-12(8-10-13)16-17-14-18(3)11-15-19(14)4;/h7-11H,5-6H2,1-4H3;1H/q+1;/p-1",MDVQVKDQGVPEFL-UHFFFAOYSA-M,C14H21ClN6,308.81,308.1516224,,49.7,309,0,0,5,5,21,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"4H-Imidazo(1,5-a)(1,4)benzodiazepine-3-carboxylic acid, 8-fluoro-5,6-dihydro-5",078755-81-4,3373,"ethyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate",CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)C,"InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3",OFBIFZUFASYYRE-UHFFFAOYSA-N,C15H14FN3O3,303.29,303.1019195,1,64.4,461,0,0,5,3,22,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ACARBOSE,056180-94-0,9811704,"(2R,3R,4R,5R)-4-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal",C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)O)N[C@H]3C=C([C@H]([C@@H]([C@H]3O)O)O)CO,"InChI=1S/C25H43NO18/c1-7-13(26-9-2-8(3-27)14(33)18(37)15(9)34)17(36)20(39)24(41-7)44-23-12(6-30)42-25(21(40)19(23)38)43-22(11(32)5-29)16(35)10(31)4-28/h2,4,7,9-27,29-40H,3,5-6H2,1H3/t7-,9+,10+,11-,12-,13-,14-,15+,16-,17+,18+,19-,20-,21-,22-,23-,24-,25-/m1/s1",CEMXHAPUFJOOSV-XGWNLRGSSA-N,C25H43NO18,645.6,645.2480135,-8.8,329,945,0,14,19,13,44,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-ISOINDOL-1-ONE, 3-AMINO-",014352-51-3,84381,3-aminoisoindol-1-one,C1=CC=C2C(=C1)C(=NC2=O)N,"InChI=1S/C8H6N2O/c9-7-5-3-1-2-4-6(5)8(11)10-7/h1-4H,(H2,9,10,11)",MMBYJYAFFGKUDC-UHFFFAOYSA-N,C8H6N2O,146.15,146.0480128,0.4,55.5,222,0,1,1,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Rottlerin, pentaacetate",,5281847,"(E)-1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]-3-phenylprop-2-en-1-one",CC1=C(C(=C(C(=C1O)C(=O)C)O)CC2=C(C(=C3C(=C2O)C=CC(O3)(C)C)C(=O)/C=C/C4=CC=CC=C4)O)O,"InChI=1S/C30H28O8/c1-15-24(33)19(27(36)22(16(2)31)25(15)34)14-20-26(35)18-12-13-30(3,4)38-29(18)23(28(20)37)21(32)11-10-17-8-6-5-7-9-17/h5-13,33-37H,14H2,1-4H3/b11-10+",DEZFNHCVIZBHBI-ZHACJKMWSA-N,C30H28O8,516.5,516.1784179,5.9,145,921,0,5,8,6,38,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"AMINOSILANE, METHYL TRIS(CYCLOHEXYLAMINO) SILANE",015901-40-3,85178,N-[bis(cyclohexylamino)-methylsilyl]cyclohexanamine,C[Si](NC1CCCCC1)(NC2CCCCC2)NC3CCCCC3,"InChI=1S/C19H39N3Si/c1-23(20-17-11-5-2-6-12-17,21-18-13-7-3-8-14-18)22-19-15-9-4-10-16-19/h17-22H,2-16H2,1H3",HDNXAGOHLKHJOA-UHFFFAOYSA-N,C19H39N3Si,337.6,337.2913248,,36.1,281,0,3,3,6,23,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"METHANONE, [4-[(4-METHYLPHENYL)THIO]PHENYL]PHENYL-",083846-85-9,174341,[4-(4-methylphenyl)sulfanylphenyl]-phenylmethanone,CC1=CC=C(C=C1)SC2=CC=C(C=C2)C(=O)C3=CC=CC=C3,"InChI=1S/C20H16OS/c1-15-7-11-18(12-8-15)22-19-13-9-17(10-14-19)20(21)16-5-3-2-4-6-16/h2-14H,1H3",DBHQYYNDKZDVTN-UHFFFAOYSA-N,C20H16OS,304.4,304.0921863,5.9,42.4,345,0,0,2,4,22,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-OXATRICYCLO[4.1.1.02,4]OCTANE, 2,7,7-TRIMETHYL-",001686-14-2,91508,"2,7,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane",CC1(C2CC1C3(C(C2)O3)C)C,"InChI=1S/C10H16O/c1-9(2)6-4-7(9)10(3)8(5-6)11-10/h6-8H,4-5H2,1-3H3",NQFUSWIGRKFAHK-UHFFFAOYSA-N,C10H16O,152.23,152.1201151,2.1,12.5,221,0,0,1,0,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-1,2,4-Triazole, 1-((2-(2-chloro-4-(4-chlorophenoxy)phenyl)-4-methyl-1,3-dio",119446-68-3,86173,"1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole",CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl,"InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3",BQYJATMQXGBDHF-UHFFFAOYSA-N,C19H17Cl2N3O3,406.3,405.0646968,4,58.4,495,0,0,5,5,27,,100.8 °C (3.7 mPa),1,0,0,1,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Dibenzo(b,f)thiepin, 2-chloro-11-(2-(dimethylamino)ethoxy)-",026615-21-4,5736,"2-(3-chlorobenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethylethanamine",CN(C)CCOC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl,"InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3",HDOZVRUNCMBHFH-UHFFFAOYSA-N,C18H18ClNOS,331.9,331.0797631,4.8,37.8,401,0,0,3,4,22,,478.4ºC,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ACENAPHTHYLENE,000208-96-8,9161,acenaphthylene,C1=CC2=C3C(=C1)C=CC3=CC=C2,InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H,HXGDTGSAIMULJN-UHFFFAOYSA-N,C12H8,152.19,152.0626003,3.7,0,184,0,0,0,0,12,122.0 °C (251.6 °F) - closed cup,"509 to 527 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(-)-TRANS-CARYOPHYLLENE,000087-44-5,5281515,"(1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene",C/C/1=C\CCC(=C)[C@H]2CC([C@@H]2CC1)(C)C,"InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1",NPNUFJAVOOONJE-GFUGXAQUSA-N,C15H24,204.35,204.1878008,4.4,0,293,0,0,0,0,15,"214 °F (NTP, 1992)","264 to 266 °F at 14 mmHg (NTP, 1992)",0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
CYCLODECANE,000293-96-9,9267,cyclodecane,C1CCCCCCCCC1,InChI=1S/C10H20/c1-2-4-6-8-10-9-7-5-3-1/h1-10H2,LMGZGXSXHCMSAA-UHFFFAOYSA-N,C10H20,140.27,140.1565006,5.6,0,33,0,0,0,0,10,,,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
METHYL BIS-(PHENYLMETHYL) BENZENE,026898-17-9,3034397,"1,2-dibenzyl-3-methylbenzene",CC1=C(C(=CC=C1)CC2=CC=CC=C2)CC3=CC=CC=C3,"InChI=1S/C21H20/c1-17-9-8-14-20(15-18-10-4-2-5-11-18)21(17)16-19-12-6-3-7-13-19/h2-14H,15-16H2,1H3",PKQYSCBUFZOAPE-UHFFFAOYSA-N,C21H20,272.4,272.1565006,6.1,0,282,0,0,0,4,21,,,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"CHROMIC ACID (H2CRO4), BIS(TRIPHENYLSILYL) ESTER",001624-02-8,102059955,chromium(2+);bis(oxido(triphenyl)silane);dihydrate,C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)[O-].C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)[O-].O.O.[Cr+2],"InChI=1S/2C18H15OSi.Cr.2H2O/c2*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*1-15H;;2*1H2/q2*-1;+2;;",VYQXSBLHPWPXGL-UHFFFAOYSA-N,C36H34CrO4Si2,638.8,638.140067,,48.1,240,0,2,4,6,43,,,1,1,0,0,0,1,1,0,0,0,0,0,0,1,1,0,0,1,0,0
"1,3,3,5,5,7-HEXAMETHYL-1,1,7,7-TETRAPHENYLTETRASILOXANE",006904-66-1,81324,[dimethyl-[methyl(diphenyl)silyl]oxysilyl]oxy-dimethyl-[methyl(diphenyl)silyl]oxysilane,C[Si](C)(O[Si](C)(C)O[Si](C)(C1=CC=CC=C1)C2=CC=CC=C2)O[Si](C)(C3=CC=CC=C3)C4=CC=CC=C4,"InChI=1S/C30H38O3Si4/c1-34(2,32-36(5,27-19-11-7-12-20-27)28-21-13-8-14-22-28)31-35(3,4)33-37(6,29-23-15-9-16-24-29)30-25-17-10-18-26-30/h7-26H,1-6H3",HNGWDEQHOJWGBN-UHFFFAOYSA-N,C30H38O3Si4,559,558.1898012,,27.7,597,0,0,3,10,37,,,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
THIDIAZURON,051707-55-2,40087,1-phenyl-3-(thiadiazol-5-yl)urea,C1=CC=C(C=C1)NC(=O)NC2=CN=NS2,"InChI=1S/C9H8N4OS/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,14)",HFCYZXMHUIHAQI-UHFFFAOYSA-N,C9H8N4OS,220.25,220.0418821,1.3,95.2,220,0,2,4,2,15,,,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
CHLOROTRIPYRROLIDINOPHOSPHONIUM HEXAFLUOROPHOSPHATE,133894-48-1,16211753,chloro(tripyrrolidin-1-yl)phosphanium hexafluorophosphate,C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)Cl.F[P-](F)(F)(F)(F)F,"InChI=1S/C12H24ClN3P.F6P/c13-17(14-7-1-2-8-14,15-9-3-4-10-15)16-11-5-6-12-16;1-7(2,3,4,5)6/h1-12H2;/q+1;-1",BSCYRXJVGSZNKX-UHFFFAOYSA-N,C12H24ClF6N3P2,421.73,421.1038184,,9.7,280,0,0,10,3,24,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2,4,6-TRIPROPYL-1,3,5,2,4,6-TRIOXATRIPHOSPHORINANE, 2,4,6-TRIOXIDE",068957-94-8,111923,"2,4,6-tripropyl-1,3,5,2lambda5,4lambda5,6lambda5-trioxatriphosphinane 2,4,6-trioxide",CCCP1(=O)OP(=O)(OP(=O)(O1)CCC)CCC,"InChI=1S/C9H21O6P3/c1-4-7-16(10)13-17(11,8-5-2)15-18(12,14-16)9-6-3/h4-9H2,1-3H3",PAQZWJGSJMLPMG-UHFFFAOYSA-N,C9H21O6P3,318.18,318.0550994,0.9,78.9,335,0,0,6,6,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"(6R,7R)-7-(2-(2-AMINO-4-THIAZOLYL)GLYOXYLAMIDO)-8-OXO-3-(((1,2,5,6-TETRAHYDRO-2-METHYL-5,6-DIOXO-AS-TRIAZIN-3-YL)THIO)METHYL)-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7(SUP 2)-(Z)-(O-METHYLOXIME), DISODIUM SALT, SESQUATERHYDRATE",104376-79-6,11953897,"tetrasodium;bis((6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-6-oxido-5-oxo-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate);heptahydrate",CN1N=C(C(=O)N=C1SCC2=C(N3C(=O)[C@H]([C@H]3SC2)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)C(=O)[O-])[O-].CN1N=C(C(=O)N=C1SCC2=C(N3C(=O)[C@H]([C@H]3SC2)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)C(=O)[O-])[O-].O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+],"InChI=1S/2C18H18N8O7S3.4Na.7H2O/c2*1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7;;;;;;;;;;;/h2*5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32);;;;;7*1H2/q;;4*+1;;;;;;;/p-4/b2*24-8-;;;;;;;;;;;/t2*9-,15-;;;;;;;;;;;/m11.........../s1",KTAVBOYXMBQFGR-MAODNAKNSA-J,C36H46N16Na4O21S6,1323.2,1322.093847,,601,1120,0,11,35,14,83,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"1H-Benzimidazole, 5-methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sul",095510-70-6,10959536,"sodium 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-ide",CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.[Na+],"InChI=1S/C17H18N3O3S.Na/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;/h5-8H,9H2,1-4H3;/q-1;+1",RYXPMWYHEBGTRV-UHFFFAOYSA-N,C17H18N3NaO3S,367.4,367.0966569,,81.5,459,0,0,7,5,25,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,1,0,1,1,0,1
"1,2-BENZANTHRAQUINONE",002498-66-0,17253,"benzo[a]anthracene-7,12-dione",C1=CC=C2C(=C1)C=CC3=C2C(=O)C4=CC=CC=C4C3=O,InChI=1S/C18H10O2/c19-17-13-7-3-4-8-14(13)18(20)16-12-6-2-1-5-11(12)9-10-15(16)17/h1-10H,LHMRXAIRPKSGDE-UHFFFAOYSA-N,C18H10O2,258.3,258.0680796,4.1,34.1,427,0,0,2,0,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIPHENYL PHTHALATE,000084-62-8,6778,"diphenyl benzene-1,2-dicarboxylate",C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2C(=O)OC3=CC=CC=C3,InChI=1S/C20H14O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h1-14H,DWNAQMUDCDVSLT-UHFFFAOYSA-N,C20H14O4,318.3,318.0892089,4.5,52.6,381,0,0,4,6,24,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4,8,12-TETRAAZACYCLOPENTADECANE",015439-16-4,472687,"1,4,8,12-tetrazacyclopentadecane",C1CNCCCNCCNCCCNC1,"InChI=1S/C11H26N4/c1-4-12-6-2-8-14-10-11-15-9-3-7-13-5-1/h12-15H,1-11H2",KUFDRRWNPNXBRF-UHFFFAOYSA-N,C11H26N4,214.35,214.2157469,-0.6,48.1,116,0,4,4,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-(TRIPHENYLPHOSPHORANYLIDENE)ANILINE,002325-27-1,75352,triphenyl(phenylimino)-lambda5-phosphane,C1=CC=C(C=C1)N=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4,"InChI=1S/C24H20NP/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H",PTLOPIHJOPWUNN-UHFFFAOYSA-N,C24H20NP,353.4,353.1333366,6.5,12.4,408,0,0,1,4,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4,10,13-TETRAOXA-7,16-DIAZACYCLOOCTADECANE",023978-55-4,72805,"1,4,10,13-tetraoxa-7,16-diazacyclooctadecane",C1COCCOCCNCCOCCOCCN1,"InChI=1S/C12H26N2O4/c1-5-15-9-10-17-7-3-14-4-8-18-12-11-16-6-2-13-1/h13-14H,1-12H2",NLMDJJTUQPXZFG-UHFFFAOYSA-N,C12H26N2O4,262.35,262.1892573,-1.4,61,138,0,2,6,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,5-DIPHENYLIMIDAZOLE",000668-94-0,69588,"4,5-diphenyl-1H-imidazole",C1=CC=C(C=C1)C2=C(N=CN2)C3=CC=CC=C3,"InChI=1S/C15H12N2/c1-3-7-12(8-4-1)14-15(17-11-16-14)13-9-5-2-6-10-13/h1-11H,(H,16,17)",CPHGOBGXZQKCKI-UHFFFAOYSA-N,C15H12N2,220.27,220.1000484,3.4,28.7,229,0,1,1,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
APHIDICOLIN,038966-21-1,457964,"(1S,2S,5R,6R,7R,10S,12R,13R)-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecane-5,13-diol",C[C@]12CC[C@H]([C@@]([C@@H]1CC[C@@H]3[C@@]24CC[C@@]([C@H](C3)C4)(CO)O)(C)CO)O,"InChI=1S/C20H34O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h13-16,21-24H,3-12H2,1-2H3/t13-,14+,15-,16+,17-,18-,19-,20-/m0/s1",NOFOAYPPHIUXJR-APNQCZIXSA-N,C20H34O4,338.5,338.2457096,2.5,80.9,524,0,4,4,2,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-AZA-15-CROWN-5,066943-05-3,544820,"1,4,7,10-tetraoxa-13-azacyclopentadecane",C1COCCOCCOCCOCCN1,"InChI=1S/C10H21NO4/c1-3-12-5-7-14-9-10-15-8-6-13-4-2-11-1/h11H,1-10H2",BJUOQSZSDIHZNP-UHFFFAOYSA-N,C10H21NO4,219.28,219.1470582,-1.3,49,121,0,1,5,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIBENZO-30-CROWN-10,017455-25-3,87120,"2,5,8,11,14,21,24,27,30,33-decaoxatricyclo[32.4.0.015,20]octatriaconta-1(38),15,17,19,34,36-hexaene",C1COCCOC2=CC=CC=C2OCCOCCOCCOCCOC3=CC=CC=C3OCCOCCO1,"InChI=1S/C28H40O10/c1-2-6-26-25(5-1)35-21-17-31-13-9-29-11-15-33-19-23-37-27-7-3-4-8-28(27)38-24-20-34-16-12-30-10-14-32-18-22-36-26/h1-8H,9-24H2",MXCSCGGRLMRZMF-UHFFFAOYSA-N,C28H40O10,536.6,536.2621475,1.8,92.3,450,0,0,10,0,38,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-(4-(4-(DIMETHYLAMINO)PHENYL)-1,3-BUTADIENYL)-3-ETHYLBENZOTHIAZOLIUM P-TOLUEN",114720-33-1,1549069,"4-[(1E,3E)-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N,N-dimethylaniline",CC[N+]1=C(SC2=CC=CC=C21)/C=C/C=C/C3=CC=C(C=C3)N(C)C,"InChI=1S/C21H23N2S/c1-4-23-19-10-6-7-11-20(19)24-21(23)12-8-5-9-17-13-15-18(16-14-17)22(2)3/h5-16H,4H2,1-3H3/q+1",NRPYYACQUPIKLE-UHFFFAOYSA-N,C21H23N2S+,335.5,335.1581949,5.9,35.4,437,1,0,2,5,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-BIS(4-PYRIDYL)ETHANE",004916-57-8,78630,4-(2-pyridin-4-ylethyl)pyridine,C1=CN=CC=C1CCC2=CC=NC=C2,"InChI=1S/C12H12N2/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12/h3-10H,1-2H2",DQRKTVIJNCVZAX-UHFFFAOYSA-N,C12H12N2,184.24,184.1000484,2,25.8,128,0,0,2,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5,10,15,20-TETRA(4-PYRIDYL)-21H,23H-PORPHINE",016834-13-2,135411729,"5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin",C1=CC2=C(C3=NC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C1N2)C6=CC=NC=C6)C7=CC=NC=C7)C8=CC=NC=C8)C=C3)C9=CC=NC=C9,"InChI=1S/C40H26N8/c1-2-30-38(26-11-19-42-20-12-26)32-5-6-34(47-32)40(28-15-23-44-24-16-28)36-8-7-35(48-36)39(27-13-21-43-22-14-27)33-4-3-31(46-33)37(29(1)45-30)25-9-17-41-18-10-25/h1-24,45,48H",DNZSHSJERXNJGX-UHFFFAOYSA-N,C40H26N8,618.7,618.2280429,6.1,109,863,0,2,6,4,48,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BIS(4-VINYL OXYMETHYLCYCLOHEXYL METHYL)GLUTARATE,131132-77-9,86395,bis[[4-(ethenoxymethyl)cyclohexyl]methyl] pentanedioate,C=COCC1CCC(CC1)COC(=O)CCCC(=O)OCC2CCC(CC2)COC=C,"InChI=1S/C25H40O6/c1-3-28-16-20-8-12-22(13-9-20)18-30-24(26)6-5-7-25(27)31-19-23-14-10-21(11-15-23)17-29-4-2/h3-4,20-23H,1-2,5-19H2",SDNBHBGJJPWRJG-UHFFFAOYSA-N,C25H40O6,436.6,436.282489,4.9,71.1,496,0,0,6,16,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
MEZEREIN,034807-41-5,24832075,"[(1R,2R,6S,7S,8R,10S,11S,12R,14S,16S,17R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl] (2E,4E)-5-phenylpenta-2,4-dienoate",C[C@@H]1[C@H]([C@]2([C@H]3[C@H]4[C@]1([C@@H]5C=C(C(=O)[C@]5([C@@H]([C@@]6([C@H]4O6)CO)O)O)C)O[C@](O3)(O2)C7=CC=CC=C7)C(=C)C)OC(=O)/C=C/C=C/C8=CC=CC=C8,"InChI=1S/C38H38O10/c1-21(2)36-30(44-27(40)18-12-11-15-24-13-7-5-8-14-24)23(4)37-26-19-22(3)29(41)35(26,43)33(42)34(20-39)31(45-34)28(37)32(36)46-38(47-36,48-37)25-16-9-6-10-17-25/h5-19,23,26,28,30-33,39,42-43H,1,20H2,2-4H3/b15-11+,18-12+/t23-,26-,28+,30-,31+,32-,33-,34+,35-,36+,37+,38-/m1/s1",DLEDLHFNQDHEOJ-UDTOXTEMSA-N,C38H38O10,654.7,654.2464974,3.8,144,1470,0,3,10,8,48,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
TRI(ETHYLENE GLYCOL) DI-P-TOSYLATE,019249-03-7,316652,2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethyl 4-methylbenzenesulfonate,CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOS(=O)(=O)C2=CC=C(C=C2)C,"InChI=1S/C20H26O8S2/c1-17-3-7-19(8-4-17)29(21,22)27-15-13-25-11-12-26-14-16-28-30(23,24)20-9-5-18(2)6-10-20/h3-10H,11-16H2,1-2H3",KCONMNWPRXAWKK-UHFFFAOYSA-N,C20H26O8S2,458.5,458.1069101,2.6,122,605,0,0,8,13,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-METHYL-7-(PHENYLACETAMIDO)COUMARIN,104145-34-8,688125,N-(4-methyl-2-oxochromen-7-yl)-2-phenylacetamide,CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)CC3=CC=CC=C3,"InChI=1S/C18H15NO3/c1-12-9-18(21)22-16-11-14(7-8-15(12)16)19-17(20)10-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,19,20)",UQUMDDZAFRUNFQ-UHFFFAOYSA-N,C18H15NO3,293.3,293.1051933,3,55.4,465,0,1,3,3,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TETRAMETHYL-1,3-CYCLOBUTANEDIONE",000933-52-8,13617,"2,2,4,4-tetramethylcyclobutane-1,3-dione",CC1(C(=O)C(C1=O)(C)C)C,"InChI=1S/C8H12O2/c1-7(2)5(9)8(3,4)6(7)10/h1-4H3",RGCDVHNITQEYPO-UHFFFAOYSA-N,C8H12O2,140.18,140.0837296,1.7,34.1,167,0,0,2,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PHOTOBIOTIN ACETATE,096087-38-6,16218863,"5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-[3-(4-azido-2-nitroanilino)propyl-methylamino]propyl]pentanamide;acetic acid",CC(=O)O.CN(CCCNC1=C(C=C(C=C1)N=[N+]=[N-])[N+](=O)[O-])CCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3,"InChI=1S/C23H35N9O4S.C2H4O2/c1-31(12-4-10-25-17-9-8-16(29-30-24)14-19(17)32(35)36)13-5-11-26-21(33)7-3-2-6-20-22-18(15-37-20)27-23(34)28-22;1-2(3)4/h8-9,14,18,20,22,25H,2-7,10-13,15H2,1H3,(H,26,33)(H2,27,28,34);1H3,(H,3,4)/t18-,20-,22-;/m0./s1",FFBLNTOMOSLSQM-AYEYRVMASA-N,C25H39N9O6S,593.7,593.2744012,,208,854,0,5,11,15,41,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-DI(4-PYRIDYL)ETHYLENE",001135-32-6,776222,4-[(E)-2-pyridin-4-ylethenyl]pyridine,C1=CN=CC=C1/C=C/C2=CC=NC=C2,InChI=1S/C12H10N2/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12/h1-10H/b2-1+,MGFJDEHFNMWYBD-OWOJBTEDSA-N,C12H10N2,182.22,182.0843983,2.1,25.8,157,0,0,2,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-DIMETHYL-2,5-CYCLOHEXADIENE-1,4-DIYLIDENEBISCYANAMIDE",098507-06-3,4640615,"(4-cyanoimino-2,5-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide",CC1=CC(=NC#N)C(=CC1=NC#N)C,"InChI=1S/C10H8N4/c1-7-3-10(14-6-12)8(2)4-9(7)13-5-11/h3-4H,1-2H3",GJCNOUWCQVLIEI-UHFFFAOYSA-N,C10H8N4,184.2,184.0748963,1.4,72.3,425,0,0,4,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIPHENYL ISOPHTHALATE,000744-45-6,69779,"diphenyl benzene-1,3-dicarboxylate",C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)C(=O)OC3=CC=CC=C3,InChI=1S/C20H14O4/c21-19(23-17-10-3-1-4-11-17)15-8-7-9-16(14-15)20(22)24-18-12-5-2-6-13-18/h1-14H,FHESUNXRPBHDQM-UHFFFAOYSA-N,C20H14O4,318.3,318.0892089,5,52.6,383,0,0,4,6,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,2-DIMETHYL-1,3,6,9,12-PENTAOXA-2-SILACYCLOTETRADECANE",070851-49-9,116905,"2,2-dimethyl-1,3,6,9,12-pentaoxa-2-silacyclotetradecane",C[Si]1(OCCOCCOCCOCCO1)C,"InChI=1S/C10H22O5Si/c1-16(2)14-9-7-12-5-3-11-4-6-13-8-10-15-16/h3-10H2,1-2H3",JIOBGPYSBDFDAB-UHFFFAOYSA-N,C10H22O5Si,250.36,250.1236503,,46.2,161,0,0,5,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-(2,5-DIHYDRO-2,5-DIOXO-1H-PYRROL-1-YL)-2,2,5,5-TETRAMETHYL-1-PYRROLIDINYLOXY",005389-27-5,165311,,CC1(CC(C(N1[O])(C)C)N2C(=O)C=CC2=O)C,"InChI=1S/C12H17N2O3/c1-11(2)7-8(12(3,4)14(11)17)13-9(15)5-6-10(13)16/h5-6,8H,7H2,1-4H3",HGNHBHXFYUYUIA-UHFFFAOYSA-N,C12H17N2O3,237.27,237.1239174,0.5,41.6,394,0,0,3,1,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
IR-813 PERCHLORATE,201024-57-9,2750101,"2-[2-[2-chloro-3-[2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1,3-trimethylbenzo[e]indole perchlorate",CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)C=CC4=C(C(=CC=C5C(C6=C(N5C)C=CC7=CC=CC=C76)(C)C)CCC4)Cl)C.[O-]Cl(=O)(=O)=O,"InChI=1S/C40H40ClN2.ClHO4/c1-39(2)34(42(5)32-22-18-26-12-7-9-16-30(26)36(32)39)24-20-28-14-11-15-29(38(28)41)21-25-35-40(3,4)37-31-17-10-8-13-27(31)19-23-33(37)43(35)6;2-1(3,4)5/h7-10,12-13,16-25H,11,14-15H2,1-6H3;(H,2,3,4,5)/q+1;/p-1",QUUNBGLRLXAGFO-UHFFFAOYSA-M,C40H40Cl2N2O4,683.7,682.2365131,,80.5,1260,0,0,5,3,48,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NEOABIETIC ACID,000471-77-2,221118,"(1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid",CC(=C1CC[C@H]2C(=C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)O)C)C,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12,16-17H,5-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1",KGMSWPSAVZAMKR-ONCXSQPRSA-N,C20H30O2,302.5,302.2245802,5.1,37.3,552,0,1,2,1,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CYCLO(PRO-GLY),003705-27-9,126154,"(8aS)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione",C1C[C@H]2C(=O)NCC(=O)N2C1,"InChI=1S/C7H10N2O2/c10-6-4-8-7(11)5-2-1-3-9(5)6/h5H,1-4H2,(H,8,11)/t5-/m0/s1",OWOHLURDBZHNGG-YFKPBYRVSA-N,C7H10N2O2,154.17,154.0742276,-0.6,49.4,214,0,1,2,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,5-BIS(DIPHENYLPHOSPHINO)-9,9-DIMETHYLXANTHENE",161265-03-8,636044,"(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane",CC1(C2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)OC5=C1C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)C,"InChI=1S/C39H32OP2/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32/h3-28H,1-2H3",CXNIUSPIQKWYAI-UHFFFAOYSA-N,C39H32OP2,578.6,578.1928396,9.7,9.2,731,0,0,1,6,42,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BENZOYLIMIDAZOLE,010364-94-0,66319,imidazol-1-yl(phenyl)methanone,C1=CC=C(C=C1)C(=O)N2C=CN=C2,InChI=1S/C10H8N2O/c13-10(12-7-6-11-8-12)9-4-2-1-3-5-9/h1-8H,JEGIFBGJZPYMJS-UHFFFAOYSA-N,C10H8N2O,172.18,172.0636629,1.3,34.9,187,0,0,2,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-BIS(1-ADAMANTYL)IMIDAZOLIUM TETRAFLUOROBATE",286014-42-4,16218105,"1,3-bis(1-adamantyl)imidazol-1-ium tetrafluoroborate",[B-](F)(F)(F)F.C1C2CC3CC1CC(C2)(C3)N4C=C[N+](=C4)C56CC7CC(C5)CC(C7)C6,"InChI=1S/C23H33N2.BF4/c1-2-25(23-12-19-6-20(13-23)8-21(7-19)14-23)15-24(1)22-9-16-3-17(10-22)5-18(4-16)11-22;2-1(3,4)5/h1-2,15-21H,3-14H2;/q+1;-1",KVWCCJYLKCSVME-UHFFFAOYSA-N,C23H33BF4N2,424.3,424.2672919,,8.8,467,0,0,5,2,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(S)-1-(5-NITRO-2-PYRIDINYL)-2-PYRROLIDINEMETHANOL,088374-37-2,44630404,[(2S)-1-(5-nitro-2-pyridinyl)pyrrolidin-2-yl]methanol,C1C[C@H](N(C1)C2=NC=C(C=C2)[N+](=O)[O-])CO,"InChI=1S/C10H13N3O3/c14-7-9-2-1-5-12(9)10-4-3-8(6-11-10)13(15)16/h3-4,6,9,14H,1-2,5,7H2/t9-/m0/s1",YBARIBJRNJYVTK-VIFPVBQESA-N,C10H13N3O3,223.23,223.0956913,1,82.2,256,0,1,5,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,3-DICYCLOHEXYLIMIDAZOLIUM TETRAFLUOROBORATE SALT",0286014-38-8,16218169,"1,3-dicyclohexylimidazol-1-ium tetrafluoroborate",[B-](F)(F)(F)F.C1CCC(CC1)N2C=C[N+](=C2)C3CCCCC3,"InChI=1S/C15H25N2.BF4/c1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;2-1(3,4)5/h11-15H,1-10H2;/q+1;-1",CQHXJIHJFMBBQA-UHFFFAOYSA-N,C15H25BF4N2,320.18,320.2046916,,8.8,224,0,0,5,2,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"7,16-DIBENZYL-1,4,10,13-TETRAOXA-7,16-DIAZACYCLOOCTADECANE",069703-25-9,3308751,"7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane",C1COCCOCCN(CCOCCOCCN1CC2=CC=CC=C2)CC3=CC=CC=C3,"InChI=1S/C26H38N2O4/c1-3-7-25(8-4-1)23-27-11-15-29-19-21-31-17-13-28(24-26-9-5-2-6-10-26)14-18-32-22-20-30-16-12-27/h1-10H,11-24H2",WAHZGOBRKWVALN-UHFFFAOYSA-N,C26H38N2O4,442.6,442.2831577,2.7,43.4,382,0,0,6,4,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,4'-BIPIPERIDINE DIHYDROCHLORIDE",078619-84-8,12270637,4-piperidin-4-ylpiperidine;dihydrochloride,C1CNCCC1C2CCNCC2.Cl.Cl,"InChI=1S/C10H20N2.2ClH/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;;/h9-12H,1-8H2;2*1H",MQKBVVIPCLTENX-UHFFFAOYSA-N,C10H22Cl2N2,241.2,240.1160041,,24.1,108,0,4,2,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2'-BIPYRIDINE, 1,1'-DIOXIDE",007275-43-6,23699,2-(1-oxido-2-pyridinylidene)pyridin-1-ium 1-oxide,C1=CC(=C2C=CC=C[N+]2=O)N(C=C1)[O-],InChI=1S/C10H8N2O2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H,FERMVCULDZOVOJ-UHFFFAOYSA-N,C10H8N2O2,188.18,188.0585775,0.7,46.4,376,0,0,3,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BENZO-12-CROWN 4-ETHER,014174-08-4,586075,"2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(16),12,14-triene",C1COCCOC2=CC=CC=C2OCCO1,"InChI=1S/C12H16O4/c1-2-4-12-11(3-1)15-9-7-13-5-6-14-8-10-16-12/h1-4H,5-10H2",OAJNZFCPJVBYHB-UHFFFAOYSA-N,C12H16O4,224.25,224.104859,1.1,36.9,166,0,0,4,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
CUCURBITURIL,080262-44-8,196163,"3,5,8,10,13,15,18,20,23,25,28,30,31,33,35,37,41,43,45,47,49,51,53,55-tetracosazanonadecacyclo[25.3.3.36,7.311,12.316,17.321,22.22,31.226,33.13,30.15,8.110,13.115,18.120,23.125,28.135,41.137,55.143,45.147,49.151,53]hexacontane-34,36,38,39,40,42,44,46,48,50,52,54-dodecone",C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)CN5C%13C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C1=O,"InChI=1S/C36H36N24O12/c61-25-37-1-38-14-16-42(26(38)62)4-46-18-20-50(30(46)66)8-54-22-24-58(34(54)70)11-57-23-21-53(33(57)69)7-49-19-17-45(29(49)65)3-41(25)15-13(37)39-2-40(14)28(64)44(16)6-48(18)32(68)52(20)10-56(22)36(72)60(24)12-59(23)35(71)55(21)9-51(19)31(67)47(17)5-43(15)27(39)63/h13-24H,1-12H2",MSBXTPRURXJCPF-UHFFFAOYSA-N,C36H36N24O12,996.8,996.2944527,-6.8,283,2140,0,0,12,0,72,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DI-2-PYRIDYL THIONOCARBONATE,096989-50-3,719784,dipyridin-2-yloxymethanethione,C1=CC=NC(=C1)OC(=S)OC2=CC=CC=N2,InChI=1S/C11H8N2O2S/c16-11(14-9-5-1-3-7-12-9)15-10-6-2-4-8-13-10/h1-8H,IKYOVSVBLHGFMA-UHFFFAOYSA-N,C11H8N2O2S,232.26,232.0306487,2.8,76.3,216,0,0,5,4,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONAMIDE, 4-AMINO-N-(3,4-DIMETHYL-5-ISOXAZOLYL)-",000127-69-5,5344,"4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide",CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N,"InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3",NHUHCSRWZMLRLA-UHFFFAOYSA-N,C11H13N3O3S,267.31,267.0677625,1,107,373,0,2,6,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
13-OXABICYCLO[10.1.0]TRIDECANE,000286-99-7,9248,13-oxabicyclo[10.1.0]tridecane,C1CCCCCC2C(O2)CCCC1,"InChI=1S/C12H22O/c1-2-4-6-8-10-12-11(13-12)9-7-5-3-1/h11-12H,1-10H2",VLJLXEKIAALSJE-UHFFFAOYSA-N,C12H22O,182.3,182.1670653,4.4,12.5,128,0,0,1,0,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONIC ACID, [[4-[[4-(PHENYLAMINO)PHENYL][4-(PHENYLIMINO)-2,5-CYCLOHE",001324-76-1,156614038,"4-[(4-anilinophenyl)-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)methyl]-N-phenylaniline;sulfuric acid",C1=CC=C(C=C1)NC2=CC=C(C=C2)C(=C3C=CC(=NC4=CC=CC=C4)C=C3)C5=CC=C(C=C5)NC6=CC=CC=C6.OS(=O)(=O)O,"InChI=1S/C37H29N3.H2O4S/c1-4-10-31(11-5-1)38-34-22-16-28(17-23-34)37(29-18-24-35(25-19-29)39-32-12-6-2-7-13-32)30-20-26-36(27-21-30)40-33-14-8-3-9-15-33;1-5(2,3)4/h1-27,38-39H;(H2,1,2,3,4)",HSNDLXNGWWYKRS-UHFFFAOYSA-N,C37H31N3O4S,613.7,613.2035277,,119,915,0,4,7,7,45,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, 4-[2-(2-BENZOTHIAZOLYL)ETHENYL]-N,N-DIMETHYL-",001628-58-6,5378081,"4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline",CN(C)C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3S2,"InChI=1S/C17H16N2S/c1-19(2)14-10-7-13(8-11-14)9-12-17-18-15-5-3-4-6-16(15)20-17/h3-12H,1-2H3/b12-9+",MVMOMSLTZMMLJR-FMIVXFBMSA-N,C17H16N2S,280.4,280.1034197,4.8,44.4,334,0,0,3,3,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-CYCLOPENTEN-1-ONE, 3-PHENYL-",003810-26-2,77422,3-phenylcyclopent-2-en-1-one,C1CC(=O)C=C1C2=CC=CC=C2,"InChI=1S/C11H10O/c12-11-7-6-10(8-11)9-4-2-1-3-5-9/h1-5,8H,6-7H2",UHTNKICWCQWOBM-UHFFFAOYSA-N,C11H10O,158.2,158.0731649,1.7,17.1,209,0,0,1,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,7-NAPHTHALENEDISULFONIC ACID, 4-AMINO-3,6-BIS[[4-[(2,4-DIAMINOPHENYL)AZO]PHE",006428-31-5,135430271,"disodium;4-amino-3,6-bis[[4-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonate",C1=CC(=CC=C1N=NC2=C(C=C(C=C2)N)N)N=NC3=C(C4=C(C(=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC5=CC=C(C=C5)N=NC6=C(C=C(C=C6)N)N)N)O.[Na+].[Na+],"InChI=1S/C34H29N13O7S2.2Na/c35-18-1-11-26(24(37)15-18)44-40-20-3-7-22(8-4-20)42-46-32-28(55(49,50)51)13-17-14-29(56(52,53)54)33(34(48)30(17)31(32)39)47-43-23-9-5-21(6-10-23)41-45-27-12-2-19(36)16-25(27)38;;/h1-16,48H,35-39H2,(H,49,50,51)(H,52,53,54);;/q;2*+1/p-2",UZZFFIUHUDOYPS-UHFFFAOYSA-L,C34H27N13Na2O7S2,839.8,839.1393212,,380,1620,0,6,20,8,58,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,5-TRIAZIN-2(1H)-ONE, TETRAHYDRO-",007098-14-8,81542,"1,3,5-triazinan-2-one",C1NCNC(=O)N1,"InChI=1S/C3H7N3O/c7-3-5-1-4-2-6-3/h4H,1-2H2,(H2,5,6,7)",GZMPNWZNKXKPGC-UHFFFAOYSA-N,C3H7N3O,101.11,101.0589119,-1.1,53.2,74,0,3,2,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-PYRROLE-2,5-DIONE, 1-[4-(PHENYLAZO)PHENYL]-",016201-96-0,85328,"1-(4-phenyldiazenylphenyl)pyrrole-2,5-dione",C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N3C(=O)C=CC3=O,InChI=1S/C16H11N3O2/c20-15-10-11-16(21)19(15)14-8-6-13(7-9-14)18-17-12-4-2-1-3-5-12/h1-11H,DVNPYLMPVFDKGZ-UHFFFAOYSA-N,C16H11N3O2,277.28,277.0851266,2.9,62.1,440,0,0,4,3,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SPIRO[4.5]DEC-6-EN-8-ONE, 6,10-DIMETHYL-2-(1-METHYLETHYLIDENE)-, (5R-CIS)-",018444-79-6,442406,"(5R,6R)-6,10-dimethyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-one",C[C@@H]1CC(=O)C=C([C@@]12CCC(=C(C)C)C2)C,"InChI=1S/C15H22O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12H,5-6,8-9H2,1-4H3/t12-,15+/m1/s1",ISLOGSAEQNKPGG-DOMZBBRYSA-N,C15H22O,218.33,218.1670653,3.2,17.1,382,0,0,1,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"Imidazole-1-acetamide, N-benzyl-2-nitro-",022994-85-0,31593,N-benzyl-2-(2-nitroimidazol-1-yl)acetamide,C1=CC=C(C=C1)CNC(=O)CN2C=CN=C2[N+](=O)[O-],"InChI=1S/C12H12N4O3/c17-11(14-8-10-4-2-1-3-5-10)9-15-7-6-13-12(15)16(18)19/h1-7H,8-9H2,(H,14,17)",CULUWZNBISUWAS-UHFFFAOYSA-N,C12H12N4O3,260.25,260.0909403,0.9,92.7,325,0,1,4,4,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANEDIOIC ACID, PHENYL-, MONO(PHENYLMETHYL) ESTER",025774-02-1,117278,3-oxo-2-phenyl-3-phenylmethoxypropanoic acid,C1=CC=C(C=C1)COC(=O)C(C2=CC=CC=C2)C(=O)O,"InChI=1S/C16H14O4/c17-15(18)14(13-9-5-2-6-10-13)16(19)20-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,17,18)",QSBAHMROFICXDC-UHFFFAOYSA-N,C16H14O4,270.28,270.0892089,3,63.6,327,0,1,4,6,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, N-(3-piperidyl)-3,4,5-trimethoxy-",030751-05-4,5597,"3,4,5-trimethoxy-N-piperidin-3-ylbenzamide",COC1=CC(=CC(=C1OC)OC)C(=O)NC2CCCNC2,"InChI=1S/C15H22N2O4/c1-19-12-7-10(8-13(20-2)14(12)21-3)15(18)17-11-5-4-6-16-9-11/h7-8,11,16H,4-6,9H2,1-3H3,(H,17,18)",YSIITVVESCNIPR-UHFFFAOYSA-N,C15H22N2O4,294.35,294.1579572,1.2,68.8,326,0,2,5,5,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3H-PYRAZOL-3-ONE, 2,4-DIHYDRO-2-(4-NITROPHENYL)-5-(1-PYRROLIDINYL)-",030818-17-8,169200,2-(4-nitrophenyl)-5-pyrrolidin-1-yl-4H-pyrazol-3-one,C1CCN(C1)C2=NN(C(=O)C2)C3=CC=C(C=C3)[N+](=O)[O-],"InChI=1S/C13H14N4O3/c18-13-9-12(15-7-1-2-8-15)14-16(13)10-3-5-11(6-4-10)17(19)20/h3-6H,1-2,7-9H2",GMXRVALYFNKUTQ-UHFFFAOYSA-N,C13H14N4O3,274.28,274.1065903,1.3,81.7,431,0,0,4,2,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"QUINOXALINE, 5,6,7,8-TETRAHYDRO-",034413-35-9,36822,"5,6,7,8-tetrahydroquinoxaline",C1CCC2=NC=CN=C2C1,"InChI=1S/C8H10N2/c1-2-4-8-7(3-1)9-5-6-10-8/h5-6H,1-4H2",XCZPDOCRSYZOBI-UHFFFAOYSA-N,C8H10N2,134.18,134.0843983,0.9,25.8,99,0,0,2,0,10,,108.00 to 111.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-PYRAZOLE-3-CARBOXYLIC ACID, 4-[5-[3-CARBOXY-5-HYDROXY-1-(4-SULFOPHENYL)-1H-",051858-17-4,20833147,"dipotassium;(4Z)-4-[(2E,4E)-5-[5-carboxylato-3-oxo-2-(4-sulfophenyl)-1H-pyrazol-4-yl]penta-2,4-dienylidene]-5-oxo-1-(4-sulfophenyl)pyrazole-3-carboxylate",C1=CC(=CC=C1N2C(=O)C(=C(N2)C(=O)[O-])/C=C/C=C/C=C\3/C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)O)C(=O)[O-])S(=O)(=O)O.[K+].[K+],"InChI=1S/C25H18N4O12S2.2K/c30-22-18(20(24(32)33)26-28(22)14-6-10-16(11-7-14)42(36,37)38)4-2-1-3-5-19-21(25(34)35)27-29(23(19)31)15-8-12-17(13-9-15)43(39,40)41;;/h1-13,26H,(H,32,33)(H,34,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2/b3-1+,4-2+,19-5-;;",JCGBFZMAOUKSPX-SAJZWCDJSA-L,C25H16K2N4O12S2,706.7,705.9480273,,271,1550,0,3,14,7,45,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-PYRROLE-2,5-DIONE, 1-[7-(DIMETHYLAMINO)-4-METHYL-2-OXO-2H-1-BENZOPYRAN-3-YL",055145-14-7,93302,"1-[7-(dimethylamino)-4-methyl-2-oxochromen-3-yl]pyrrole-2,5-dione",CC1=C(C(=O)OC2=C1C=CC(=C2)N(C)C)N3C(=O)C=CC3=O,"InChI=1S/C16H14N2O4/c1-9-11-5-4-10(17(2)3)8-12(11)22-16(21)15(9)18-13(19)6-7-14(18)20/h4-8H,1-3H3",ADEORFBTPGKHRP-UHFFFAOYSA-N,C16H14N2O4,298.29,298.0953569,1.3,66.9,587,0,0,5,2,22,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-BENZODIOXOLE, 5-(4-METHYL-1,3-DIOXOLAN-2-YL)-",061683-99-6,101144,"5-(4-methyl-1,3-dioxolan-2-yl)-1,3-benzodioxole",CC1COC(O1)C2=CC3=C(C=C2)OCO3,"InChI=1S/C11H12O4/c1-7-5-12-11(15-7)8-2-3-9-10(4-8)14-6-13-9/h2-4,7,11H,5-6H2,1H3",HXNSADTWQWLFCB-UHFFFAOYSA-N,C11H12O4,208.21,208.0735589,1.6,36.9,233,0,0,4,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,7-NAPHTHALENEDISULFONIC ACID, 5-(ACETYLAMINO)-3-[[4-[[3-[[[4-[2,4-BIS(1,1-DI",063059-47-2,136075746,"disodium;5-acetamido-3-[[4-[3-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylcarbamoyl]-4-hydroxynaphthalen-1-yl]oxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate",CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)OC4=CC=C(C=C4)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)C)O)O)C(C)(C)CC.[Na+].[Na+],"InChI=1S/C49H54N4O12S2.2Na/c1-8-48(4,5)31-16-21-40(38(26-31)49(6,7)9-2)64-23-13-12-22-50-47(57)37-28-41(35-14-10-11-15-36(35)45(37)55)65-33-19-17-32(18-20-33)52-53-44-42(67(61,62)63)25-30-24-34(66(58,59)60)27-39(51-29(3)54)43(30)46(44)56;;/h10-11,14-21,24-28,55-56H,8-9,12-13,22-23H2,1-7H3,(H,50,57)(H,51,54)(H,58,59,60)(H,61,62,63);;/q;2*+1/p-2",MVIBIOVQVNUAFO-UHFFFAOYSA-L,C49H52N4Na2O12S2,999.1,998.281854,,273,1870,0,4,14,16,69,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3H-DIBENZ[F,IJ]ISOQUINOLINE-2,7-DIONE, 6-BROMO-4-METHYL-1-PHENYL-",067499-52-9,105434,"10-bromo-12-methyl-16-phenyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione",CC1=CC(=C2C3=C1NC(=O)C(=C3C4=CC=CC=C4C2=O)C5=CC=CC=C5)Br,"InChI=1S/C23H14BrNO2/c1-12-11-16(24)19-20-18(14-9-5-6-10-15(14)22(19)26)17(23(27)25-21(12)20)13-7-3-2-4-8-13/h2-11H,1H3,(H,25,27)",NGLCGJZEUKMFNH-UHFFFAOYSA-N,C23H14BrNO2,416.3,415.02079,4.7,46.2,680,0,1,2,1,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-OXASPIRO[5.5]UNDECENE, 4-METHYL-",068228-06-8,109244,4-methyl-1-oxaspiro[5.5]undec-2-ene,CC1CC2(CCCCC2)OC=C1,"InChI=1S/C11H18O/c1-10-5-8-12-11(9-10)6-3-2-4-7-11/h5,8,10H,2-4,6-7,9H2,1H3",WJHAXQNOQJKTQV-UHFFFAOYSA-N,C11H18O,166.26,166.1357652,3.1,9.2,177,0,0,1,0,12,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,3,6,9,12,15-HEXAOXA-2-SILACYCLOHEPTADECANE, 2,2-DIMETHYL-",083890-22-6,174345,"2,2-dimethyl-1,3,6,9,12,15-hexaoxa-2-silacycloheptadecane",C[Si]1(OCCOCCOCCOCCOCCO1)C,"InChI=1S/C12H26O6Si/c1-19(2)17-11-9-15-7-5-13-3-4-14-6-8-16-10-12-18-19/h3-12H2,1-2H3",VYPNMUSYTNBGQH-UHFFFAOYSA-N,C12H26O6Si,294.42,294.1498651,,55.4,194,0,0,6,0,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Carbamothioic acid, (6-methoxy-2-pyridinyl)methyl-, O-(5,6,7,8-tetrahydro-2- n",088678-31-3,3936,"O-(5,6,7,8-tetrahydronaphthalen-2-yl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamothioate",CN(C1=NC(=CC=C1)OC)C(=S)OC2=CC3=C(CCCC3)C=C2,"InChI=1S/C18H20N2O2S/c1-20(16-8-5-9-17(19-16)21-2)18(23)22-15-11-10-13-6-3-4-7-14(13)12-15/h5,8-12H,3-4,6-7H2,1-2H3",VPHPQNGOVQYUMG-UHFFFAOYSA-N,C18H20N2O2S,328.4,328.1245491,4.9,66.7,406,0,0,4,4,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"1,6-HEXANDIOL DIGLYCIDYL ETHER",016096-31-4,85960,2-[6-(oxiran-2-ylmethoxy)hexoxymethyl]oxirane,C1C(O1)COCCCCCCOCC2CO2,"InChI=1S/C12H22O4/c1(3-5-13-7-11-9-15-11)2-4-6-14-8-12-10-16-12/h11-12H,1-10H2",WTYYGFLRBWMFRY-UHFFFAOYSA-N,C12H22O4,230.3,230.1518092,0.7,43.5,166,0,0,4,11,16,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
ZURANOLONE,1632051-40-1,86294073,"1-[2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]pyrazole-4-carbonitrile",C[C@]1(CC[C@H]2[C@@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C(=O)CN5C=C(C=N5)C#N)C)O,"InChI=1S/C25H35N3O2/c1-24(30)9-7-18-17(11-24)3-4-20-19(18)8-10-25(2)21(20)5-6-22(25)23(29)15-28-14-16(12-26)13-27-28/h13-14,17-22,30H,3-11,15H2,1-2H3/t17-,18+,19-,20-,21+,22-,24-,25+/m1/s1",HARRKNSQXBRBGZ-GVKWWOCJSA-N,C25H35N3O2,409.6,409.2729274,4.5,78.9,746,0,1,4,3,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"Withania Somnifera, extract",,161671,"(1S,2R,6S,7R,9R,11S,12S,15S,16S)-15-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-6-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one",CC1=C(C(=O)O[C@H](C1)[C@@](C)([C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C=C[C@@H]6O)C)O5)C)O)C,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",SASUFNRGCZMRFD-JCUIILOWSA-N,C28H38O6,470.6,470.2668389,3.1,96.4,1030,0,2,6,2,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-NAPHTHALENESULFONIC ACID, 4-HYDROXY-7-[[[[5-HYDROXY-6-[(2-METHOXYPHENYL)AZO]",006420-44-6,22927,trisodium;4-hydroxy-7-[[5-hydroxy-6-[(2-methoxyphenyl)diazenyl]-7-sulfonatonaphthalen-2-yl]carbamoylamino]-3-[(2-methyl-4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate,CC1=C(C=CC(=C1)S(=O)(=O)[O-])N=NC2=C(C=C3C=C(C=CC3=C2O)NC(=O)NC4=CC5=CC(=C(C(=C5C=C4)O)N=NC6=CC=CC=C6OC)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+],"InChI=1S/C35H28N6O13S3.3Na/c1-18-13-23(55(45,46)47)9-12-26(18)38-40-31-29(56(48,49)50)16-19-14-21(7-10-24(19)33(31)42)36-35(44)37-22-8-11-25-20(15-22)17-30(57(51,52)53)32(34(25)43)41-39-27-5-3-4-6-28(27)54-2;;;/h3-17,42-43H,1-2H3,(H2,36,37,44)(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3",MSBHLDQWHHNCML-UHFFFAOYSA-K,C35H25N6Na3O13S3,902.8,902.0334812,,337,1760,0,4,17,7,60,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PENICILLIN G PROCAINE,006130-64-9,22502,"2-(diethylamino)ethyl 4-aminobenzoate;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydrate",CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.O,"InChI=1S/C16H18N2O4S.C13H20N2O2.H2O/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);5-8H,3-4,9-10,14H2,1-2H3;1H2/t11-,12+,14-;;/m1../s1",KZDCMKVLEYCGQX-UDPGNSCCSA-N,C29H40N4O7S,588.7,588.2617708,,169,752,0,4,10,11,41,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"BIS(STILBENE-ALPHA,BETA-DITHIOLATO(2))NICKEL",028984-20-5,11272716,"bis(1,2-diphenylethane-1,2-dithione);nickel",C1=CC=C(C=C1)C(=S)C(=S)C2=CC=CC=C2.C1=CC=C(C=C1)C(=S)C(=S)C2=CC=CC=C2.[Ni],InChI=1S/2C14H10S2.Ni/c2*15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;/h2*1-10H;,CPYFUJWIAABTQE-UHFFFAOYSA-N,C28H20NiS4,543.4,541.980127,,128,230,0,0,4,6,33,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, 6-AMINO-3,3-DIMETHYL-7-OX",000551-16-6,11082,"(2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N)C(=O)O)C,"InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1",NGHVIOIJCVXTGV-ALEPSDHESA-N,C8H12N2O3S,216.26,216.0568634,-2.1,109,318,0,2,5,1,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"2-NAPHTHALENESULFONIC ACID, 7-[(5-CHLORO-2,6-DIFLUORO-4-PYRIMIDINYL)AMINO]-4-H",068959-17-1,163454,"disodium;7-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-4-hydroxy-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate",COC1=CC(=C(C=C1)N=NC2=C(C=C3C=C(C=CC3=C2O)NC4=C(C(=NC(=N4)F)F)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C21H14ClF2N5O8S2.2Na/c1-37-11-3-5-13(14(8-11)38(31,32)33)28-29-17-15(39(34,35)36)7-9-6-10(2-4-12(9)18(17)30)25-20-16(22)19(23)26-21(24)27-20;;/h2-8,30H,1H3,(H,25,26,27)(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2",HJORILXJGREZJU-UHFFFAOYSA-L,C21H12ClF2N5Na2O8S2,645.9,644.9579273,,223,1070,0,2,15,5,41,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"CHROMATE(3-), BIS[2-[[2,4-DIHYDROXY-3-[(2-METHYL-4-SULFOPHENYL)AZO]PHENYL]AZO]",075234-41-2,136033710,"trisodium;chromium;bis(2-[[2,4-dihydroxy-3-[(2-methyl-4-sulfophenyl)diazenyl]phenyl]diazenyl]benzoic acid)",CC1=C(C=CC(=C1)S(=O)(=O)O)N=NC2=C(C=CC(=C2O)N=NC3=CC=CC=C3C(=O)O)O.CC1=C(C=CC(=C1)S(=O)(=O)O)N=NC2=C(C=CC(=C2O)N=NC3=CC=CC=C3C(=O)O)O.[Na+].[Na+].[Na+].[Cr],"InChI=1S/2C20H16N4O7S.Cr.3Na/c2*1-11-10-12(32(29,30)31)6-7-14(11)21-24-18-17(25)9-8-16(19(18)26)23-22-15-5-3-2-4-13(15)20(27)28;;;;/h2*2-10,25-26H,1H3,(H,27,28)(H,29,30,31);;;;/q;;;3*+1",WCEUHFYTYGGWNA-UHFFFAOYSA-N,C40H32CrN8Na3O14S2+3,1033.8,1033.057753,,380,1770,3,8,22,0,68,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"2,2-DITHIOBIS(BENZOTHIAZOLE)",000120-78-5,8447,"2-(1,3-benzothiazol-2-yldisulfanyl)-1,3-benzothiazole",C1=CC=C2C(=C1)N=C(S2)SSC3=NC4=CC=CC=C4S3,InChI=1S/C14H8N2S4/c1-3-7-11-9(5-1)15-13(17-11)19-20-14-16-10-6-2-4-8-12(10)18-14/h1-8H,AFZSMODLJJCVPP-UHFFFAOYSA-N,C14H8N2S4,332.5,331.957033,5.6,133,311,0,0,6,3,20,"518 °F (NTP, 1992)",,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"QUINO[2,3-B]ACRIDINE-6,7,13,14(5H,12H)-TETRONE",001503-48-6,73920,"5,12-dihydroquinolino[2,3-b]acridine-6,7,13,14-tetrone",C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=O)C4=C(C3=O)NC5=CC=CC=C5C4=O,"InChI=1S/C20H10N2O4/c23-17-9-5-1-3-7-11(9)21-15-13(17)19(25)16-14(20(15)26)18(24)10-6-2-4-8-12(10)22-16/h1-8H,(H,21,23)(H,22,24)",KSLLMGLKCVSKFF-UHFFFAOYSA-N,C20H10N2O4,342.3,342.0640568,3,92.3,754,0,2,6,0,26,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,3-DIOXOLANE, 2-(2-PHENYLETHENYL)-",005660-60-6,6284401,"2-[(E)-2-phenylethenyl]-1,3-dioxolane",C1COC(O1)/C=C/C2=CC=CC=C2,"InChI=1S/C11H12O2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-7,11H,8-9H2/b7-6+",JQLASNFFJHGQTK-VOTSOKGWSA-N,C11H12O2,176.21,176.0837296,2,18.5,165,0,0,2,2,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENAMINE, 4-(1-METHYL-1-PHENYLETHYL)-N-[4-(1-METHYL-1-PHENYLETHYL)PHENYL]-",010081-67-1,82343,4-(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline,CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)NC3=CC=C(C=C3)C(C)(C)C4=CC=CC=C4,"InChI=1S/C30H31N/c1-29(2,23-11-7-5-8-12-23)25-15-19-27(20-16-25)31-28-21-17-26(18-22-28)30(3,4)24-13-9-6-10-14-24/h5-22,31H,1-4H3",UJAWGGOCYUPCPS-UHFFFAOYSA-N,C30H31N,405.6,405.24565,9.1,12,473,0,1,1,6,31,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"COBALTATE(4-), [29H,31H-PHTHALOCYANINE-2,9,16,23-TETRASULFONATO(6-)-N29,N30,N3",014285-59-7,159733,"cobalt(2+);2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene-6,15,24,33-tetrasulfonate;hydron",[H+].[H+].[H+].[H+].C1=CC2=C(C=C1S(=O)(=O)[O-])C3=NC4=NC(=NC5=NC(=NC6=C7C=CC(=CC7=C([N-]6)N=C2[N-]3)S(=O)(=O)[O-])C8=C5C=CC(=C8)S(=O)(=O)[O-])C9=C4C=CC(=C9)S(=O)(=O)[O-].[Co+2],"InChI=1S/C32H16N8O12S4.Co/c41-53(42,43)13-1-5-17-21(9-13)29-33-25(17)37-30-22-10-14(54(44,45)46)2-6-18(22)27(34-30)39-32-24-12-16(56(50,51)52)4-8-20(24)28(36-32)40-31-23-11-15(55(47,48)49)3-7-19(23)26(35-31)38-29;/h1-12H,(H4-2,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52);/q-2;+2",ZWLKKKRIYPQRQD-UHFFFAOYSA-N,C32H16CoN8O12S4,891.7,890.910246,,342,1630,0,4,20,0,57,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"6H-DIBENZ[C,E][1,2]OXAPHOSPHORIN, 6-OXIDE",035948-25-5,6328250,"benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide",C1=CC=C2C(=C1)C3=CC=CC=C3[P+](=O)O2,InChI=1S/C12H8O2P/c13-15-12-8-4-2-6-10(12)9-5-1-3-7-11(9)14-15/h1-8H/q+1,DWSWCPPGLRSPIT-UHFFFAOYSA-N,C12H8O2P+,215.16,215.0261915,2.5,30.2,266,1,0,2,0,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-ANTHRACENECARBOXAMIDE, 1-AMINO-N-(3-BROMO-9,10-DIHYDRO-9,10-DIOXO-2-ANTHRACE",052740-90-6,104308,"1-amino-N-(3-bromo-9,10-dioxoanthracen-2-yl)-9,10-dioxoanthracene-2-carboxamide",C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(=O)NC4=C(C=C5C(=C4)C(=O)C6=CC=CC=C6C5=O)Br)N,"InChI=1S/C29H15BrN2O5/c30-21-11-19-20(27(35)14-6-2-1-5-13(14)26(19)34)12-22(21)32-29(37)18-10-9-17-23(24(18)31)28(36)16-8-4-3-7-15(16)25(17)33/h1-12H,31H2,(H,32,37)",CNBMPLAEVDUBAN-UHFFFAOYSA-N,C29H15BrN2O5,551.3,550.01643,5.2,123,1010,0,2,6,2,37,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"CYCLOTETRASILOXANE, 2,4,6,8-TETRAMETHYL-2-[3-(OXIRANYLMETHOXY)PROPYL]-",061614-55-9,108564,"2,4,6,8-tetramethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane",C[SiH]1O[SiH](O[Si](O[SiH](O1)C)(C)CCCOCC2CO2)C,"InChI=1S/C10H26O6Si4/c1-17-13-18(2)15-20(4,16-19(3)14-17)7-5-6-11-8-10-9-12-10/h10,17-19H,5-9H2,1-4H3",JVHUKDJNXJDZOR-UHFFFAOYSA-N,C10H26O6Si4,354.65,354.0806447,,58.7,295,0,0,6,6,20,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"BUTANEDIOIC ACID, (6H-DIBENZ[C,E][1,2]OXAPHOSPHORIN-6-YLMETHYL)-, P-OXIDE",063562-33-4,6454648,"2-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]butanedioic acid",C1=CC=C2C(=C1)C3=CC=CC=C3P(=O)(O2)CC(CC(=O)O)C(=O)O,"InChI=1S/C17H15O6P/c18-16(19)9-11(17(20)21)10-24(22)15-8-4-2-6-13(15)12-5-1-3-7-14(12)23-24/h1-8,11H,9-10H2,(H,18,19)(H,20,21)",XZAXQWXHBDKYJI-UHFFFAOYSA-N,C17H15O6P,346.27,346.0606252,1.5,101,547,0,2,6,5,24,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"CHROMATE(2-), [4-HYDROXY-3-[(2-HYDROXY-4-NITROPHENYL)AZO]-1-NAPHTHALENESULFONA",068541-71-9,163243,"disodium;chromium(3+);3-[[4-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-4-oxonaphthalene-1-sulfonate;1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate",C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C=C3)[N+](=O)[O-])[O-])[O-].C1=CC=C2C(=C1)C(=CC(=NN=C3C=CC(=CC3=O)N([O-])[O-])C2=O)S(=O)(=O)[O-].[Na+].[Na+].[Cr+3],"InChI=1S/C16H9N3O7S.C16H11N3O4.Cr.2Na/c20-14-7-9(19(22)23)5-6-12(14)17-18-13-8-15(27(24,25)26)10-3-1-2-4-11(10)16(13)21;20-14-8-5-10-3-1-2-4-12(10)16(14)18-17-13-7-6-11(19(22)23)9-15(13)21;;;/h1-8H,(H,24,25,26);1-9,20-21H;;;/q-2;;+3;2*+1/p-3",XOAMKSOTMVKAGY-UHFFFAOYSA-K,C32H17CrN6Na2O11S,791.6,790.987645,,290,1380,0,0,16,3,53,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"2,7-NAPHTHALENEDISULFONIC ACID, 4-HYDROXY-5-[[4-[[4-[[5-HYDROXY-6-[(2-METHOXY-",070236-51-0,166137,"tetrasodium;4-[[4-[[4-anilino-6-[[5-hydroxy-6-[(2-methoxy-5-sulfonatophenyl)diazenyl]-7-sulfonatonaphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonate",CC1=CC(=C(C=C1N=NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C=C3O)S(=O)(=O)[O-])OC)NC4=NC(=NC(=N4)NC5=CC6=CC(=C(C(=C6C=C5)O)N=NC7=C(C=CC(=C7)S(=O)(=O)[O-])OC)S(=O)(=O)[O-])NC8=CC=CC=C8.[Na+].[Na+].[Na+].[Na+],"InChI=1S/C44H36N10O16S4.4Na/c1-22-13-32(37(70-3)21-31(22)51-53-34-19-28(72(60,61)62)15-24-16-29(73(63,64)65)20-35(55)39(24)34)47-44-49-42(45-25-7-5-4-6-8-25)48-43(50-44)46-26-9-11-30-23(14-26)17-38(74(66,67)68)40(41(30)56)54-52-33-18-27(71(57,58)59)10-12-36(33)69-2;;;;/h4-21,55-56H,1-3H3,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H3,45,46,47,48,49,50);;;;/q;4*+1/p-4",ALPKFOALTCELEH-UHFFFAOYSA-J,C44H32N10Na4O16S4,1177,1176.047137,,445,2350,0,5,26,12,78,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"5,8-METHANO-2H-1-BENZOPYRAN, 6-ETHYLIDENEOCTAHYDRO-",093939-86-7,163617,"9-ethylidene-3-oxatricyclo[6.2.1.02,7]undecane",CC=C1CC2CC1C3C2OCCC3,"InChI=1S/C12H18O/c1-2-8-6-9-7-11(8)10-4-3-5-13-12(9)10/h2,9-12H,3-7H2,1H3",UBALJTRHSDXCPY-UHFFFAOYSA-N,C12H18O,178.27,178.1357652,2.1,9.2,244,0,0,1,0,13,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"BIS(2,6-DIMETHOXYBENZOYL)(2,4,4-TRIMETHYLPENTYL)PHOSPHINE OXIDE",145052-34-2,164459,"[(2,6-dimethoxybenzoyl)-(2,4,4-trimethylpentyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone",CC(CC(C)(C)C)CP(=O)(C(=O)C1=C(C=CC=C1OC)OC)C(=O)C2=C(C=CC=C2OC)OC,"InChI=1S/C26H35O7P/c1-17(15-26(2,3)4)16-34(29,24(27)22-18(30-5)11-9-12-19(22)31-6)25(28)23-20(32-7)13-10-14-21(23)33-8/h9-14,17H,15-16H2,1-8H3",LFOXEOLGJPJZAA-UHFFFAOYSA-N,C26H35O7P,490.5,490.2120405,5,88.1,661,0,0,7,12,34,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"SULFONIUM, DIPHENYL[(PHENYLTHIO)PHENYL]-, HEXAFLUOROPHOSPHATE(1-)",068156-13-8,155018,diphenyl-(2-phenylsulfanylphenyl)sulfanium hexafluorophosphate,C1=CC=C(C=C1)SC2=CC=CC=C2[S+](C3=CC=CC=C3)C4=CC=CC=C4.F[P-](F)(F)(F)(F)F,"InChI=1S/C24H19S2.F6P/c1-4-12-20(13-5-1)25-23-18-10-11-19-24(23)26(21-14-6-2-7-15-21)22-16-8-3-9-17-22;1-7(2,3,4,5)6/h1-19H;/q+1;-1",SFWSATMGMAKCIF-UHFFFAOYSA-N,C24H19F6PS2,516.5,516.0569989,,26.3,436,0,0,8,5,33,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
LYSOZYME (CHICKEN EGG WHITE),012650-88-3,91976556,2-[[4-amino-2-[[2-[[2-[2-[[2-[[2-[2-[[2-[[2-[[2-[[5-amino-2-[[1-[2-[[2-[[2-[[2-[(2-amino-5-carbamimidamidopentanoyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoic acid,CCC(C)C(C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)O)NC(=O)CNC(=O)C(CCC(=O)N)NC(=O)C5CCCN5C(=O)C(CC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C(CCCNC(=N)N)N,"InChI=1S/C99H159N37O23/c1-11-50(8)77(132-72(139)46-120-81(145)63(32-33-70(101)137)124-88(152)69-31-21-39-136(69)93(157)68(43-73(140)141)131-84(148)62(29-19-37-116-98(109)110)125-90(154)75(48(4)5)135-91(155)76(49(6)7)133-80(144)57(100)24-16-34-113-95(103)104)92(156)126-60(27-17-35-114-96(105)106)82(146)121-51(9)78(142)129-66(41-54-45-119-59-26-15-13-23-56(54)59)87(151)134-74(47(2)3)89(153)122-52(10)79(143)128-65(40-53-44-118-58-25-14-12-22-55(53)58)85(149)123-61(28-18-36-115-97(107)108)83(147)130-67(42-71(102)138)86(150)127-64(94(158)159)30-20-38-117-99(111)112/h12-15,22-23,25-26,44-45,47-52,57,60-69,74-77,118-119H,11,16-21,24,27-43,46,100H2,1-10H3,(H2,101,137)(H2,102,138)(H,120,145)(H,121,146)(H,122,153)(H,123,149)(H,124,152)(H,125,154)(H,126,156)(H,127,150)(H,128,143)(H,129,142)(H,130,147)(H,131,148)(H,132,139)(H,133,144)(H,134,151)(H,135,155)(H,140,141)(H,158,159)(H4,103,104,113)(H4,105,106,114)(H4,107,108,115)(H4,109,110,116)(H4,111,112,117)",ZJCXKXFAOCLSRV-UHFFFAOYSA-N,C99H159N37O23,2235.6,2235.244309,-7.4,1010,5020,0,38,29,75,159,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0
OXACYCLOHEXADECAN-2-ONE,000106-02-5,235414,oxacyclohexadecan-2-one,C1CCCCCCCOC(=O)CCCCCC1,InChI=1S/C15H28O2/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15/h1-14H2,FKUPPRZPSYCDRS-UHFFFAOYSA-N,C15H28O2,240.38,240.2089301,5.8,26.3,189,0,0,2,0,17,,137.00 °C. @ 2.00 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"1H-BENZOTRIAZOLE, 4,5,6,7-TETRAHYDRO-",006789-99-7,81247,"4,5,6,7-tetrahydro-2H-benzotriazole",C1CCC2=NNN=C2C1,"InChI=1S/C6H9N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H2,(H,7,8,9)",CKRLKUOWTAEKKX-UHFFFAOYSA-N,C6H9N3,123.16,123.0796473,0.7,41.6,92,0,1,2,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, 3-[[ETHYL[4-[[4-[(3-SULFOPHENYL)AZO]-1-NAPHTHALENYL]AZO]",070210-06-9,166114,disodium;3-[[N-ethyl-4-[[4-[(3-sulfonatophenyl)diazenyl]naphthalen-1-yl]diazenyl]anilino]methyl]benzenesulfonate,CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)N=NC3=CC=C(C4=CC=CC=C43)N=NC5=CC(=CC=C5)S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C31H27N5O6S2.2Na/c1-2-36(21-22-7-5-9-26(19-22)43(37,38)39)25-15-13-23(14-16-25)32-34-30-17-18-31(29-12-4-3-11-28(29)30)35-33-24-8-6-10-27(20-24)44(40,41)42;;/h3-20H,2,21H2,1H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2",GYGVRMLIQVFLPE-UHFFFAOYSA-L,C31H25N5Na2O6S2,673.7,673.1041645,,184,1170,0,0,11,8,46,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, 2,5-DICHLORO-4-[[2-(DIBUTYLAMINO)-4-METHYL-6-[[2-(4-SULF",084962-50-5,163432,"disodium;2,5-dichloro-4-[[2-(dibutylamino)-4-methyl-6-[2-(4-sulfonatophenyl)ethylamino]pyrimidin-5-yl]diazenyl]benzenesulfonate",CCCCN(CCCC)C1=NC(=C(C(=N1)NCCC2=CC=C(C=C2)S(=O)(=O)[O-])N=NC3=CC(=C(C=C3Cl)S(=O)(=O)[O-])Cl)C.[Na+].[Na+],"InChI=1S/C27H34Cl2N6O6S2.2Na/c1-4-6-14-35(15-7-5-2)27-31-18(3)25(34-33-23-16-22(29)24(17-21(23)28)43(39,40)41)26(32-27)30-13-12-19-8-10-20(11-9-19)42(36,37)38;;/h8-11,16-17H,4-7,12-15H2,1-3H3,(H,30,31,32)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2",DQBGDKRZGLHPGE-UHFFFAOYSA-L,C27H32Cl2N6Na2O6S2,717.6,716.0997191,,197,1050,0,1,12,13,45,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
N-ALPHA-FMOC-O-BENZYL-L-PHOSPHOSERINE,158171-14-3,11005563,(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[hydroxy(phenylmethoxy)phosphoryl]oxypropanoic acid,C1=CC=C(C=C1)COP(=O)(O)OC[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24,"InChI=1S/C25H24NO8P/c27-24(28)23(16-34-35(30,31)33-14-17-8-2-1-3-9-17)26-25(29)32-15-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,22-23H,14-16H2,(H,26,29)(H,27,28)(H,30,31)/t23-/m0/s1",ZBPUWGDUVAAWJY-QHCPKHFHSA-N,C25H24NO8P,497.4,497.1239537,2.9,131,751,0,3,8,11,35,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"14H-BENZ[4,5]ISOQUINO[2,1-A]PERIMIDIN-14-ONE",006829-22-7,81271,"2,14-diazahexacyclo[13.7.1.14,8.02,13.019,23.012,24]tetracosa-1(22),4,6,8(24),9,11,13,15,17,19(23),20-undecaen-3-one",C1=CC2=C3C(=C1)C4=NC5=CC=CC6=C5C(=CC=C6)N4C(=O)C3=CC=C2,InChI=1S/C22H12N2O/c25-22-16-10-2-6-13-5-1-9-15(19(13)16)21-23-17-11-3-7-14-8-4-12-18(20(14)17)24(21)22/h1-12H,NIDFGXDXQKPZMA-UHFFFAOYSA-N,C22H12N2O,320.3,320.094963,4.7,32.7,613,0,0,2,0,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-FURANMETHANOL, TETRAHYDRO-, PHOSPHATE (3:1)",010427-00-6,25256,tris(oxolan-2-ylmethyl) phosphate,C1CC(OC1)COP(=O)(OCC2CCCO2)OCC3CCCO3,"InChI=1S/C15H27O7P/c16-23(20-10-13-4-1-7-17-13,21-11-14-5-2-8-18-14)22-12-15-6-3-9-19-15/h13-15H,1-12H2",YUUDAJZHJYVGCS-UHFFFAOYSA-N,C15H27O7P,350.34,350.1494402,0.7,72.5,348,0,0,7,9,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"DODECANEDIOIC ACID, BIS[2-(2-HYDROXYBENZOYL)HYDRAZIDE]",063245-38-5,113162,"1-N',12-N'-bis(2-hydroxybenzoyl)dodecanedihydrazide",C1=CC=C(C(=C1)C(=O)NNC(=O)CCCCCCCCCCC(=O)NNC(=O)C2=CC=CC=C2O)O,"InChI=1S/C26H34N4O6/c31-21-15-11-9-13-19(21)25(35)29-27-23(33)17-7-5-3-1-2-4-6-8-18-24(34)28-30-26(36)20-14-10-12-16-22(20)32/h9-16,31-32H,1-8,17-18H2,(H,27,33)(H,28,34)(H,29,35)(H,30,36)",KKZSDWROKQKKPM-UHFFFAOYSA-N,C26H34N4O6,498.6,498.2478348,5.4,157,646,0,6,6,13,36,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"CHROMATE(2-), [3-HYDROXY-4-[(2-HYDROXY-1-NAPHTHALENYL)AZO]-1-NAPHTHALENESULFON",067939-06-4,106171,"sodium;chromium(3+);3-[[4-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]naphthalen-2-one;hydron;3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate",[H+].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C4=CC=CC=C43)S(=O)(=O)[O-])[O-])[O-].C1=CC2=CC(=NN=C3C=CC(=CC3=O)N([O-])[O-])C(=O)C=C2C=C1.[Na+].[Cr+3],"InChI=1S/C20H14N2O5S.C16H9N3O4.Cr.Na/c23-16-10-9-12-5-1-2-6-13(12)19(16)21-22-20-15-8-4-3-7-14(15)18(11-17(20)24)28(25,26)27;20-15-8-11-4-2-1-3-10(11)7-14(15)18-17-13-6-5-12(19(22)23)9-16(13)21;;/h1-11,23-24H,(H,25,26,27);1-9H;;/q;-2;+3;+1/p-2",LMFOMPYCXIPXST-UHFFFAOYSA-L,C36H21CrN5NaO9S,774.6,774.036272,,245,1500,0,1,14,3,53,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BUTANAMIDE, N-(2,3-DIHYDRO-2-OXO-1H-BENZIMIDAZOL-5-YL)-3-OXO-2-[[2-(TRIFLUOROM",068134-22-5,109160,"3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[[2-(trifluoromethyl)phenyl]diazenyl]butanamide",CC(=O)C(C(=O)NC1=CC2=C(C=C1)NC(=O)N2)N=NC3=CC=CC=C3C(F)(F)F,"InChI=1S/C18H14F3N5O3/c1-9(27)15(26-25-12-5-3-2-4-11(12)18(19,20)21)16(28)22-10-6-7-13-14(8-10)24-17(29)23-13/h2-8,15H,1H3,(H,22,28)(H2,23,24,29)",VBNVBMNKUIJLPP-UHFFFAOYSA-N,C18H14F3N5O3,405.3,405.1048738,3.1,112,684,0,3,8,5,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"CHROMATE(3-), BIS[2-HYDROXY-5-[[4-[(4-NITRO-2-SULFOPHENYL)AMINO]PHENYL]AZO]BEN",083027-56-9,11979806,trisodium;chromium(3+);bis(5-[[4-(4-nitro-2-sulfonatoanilino)phenyl]diazenyl]-2-oxidobenzoate),C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-])N=NC3=CC(=C(C=C3)[O-])C(=O)[O-].C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-])N=NC3=CC(=C(C=C3)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Cr+3],"InChI=1S/2C19H14N4O8S.Cr.3Na/c2*24-17-8-5-13(9-15(17)19(25)26)22-21-12-3-1-11(2-4-12)20-16-7-6-14(23(27)28)10-18(16)32(29,30)31;;;;/h2*1-10,20,24H,(H,25,26)(H,29,30,31);;;;/q;;+3;3*+1/p-6",RZAVETYATNIYNV-UHFFFAOYSA-H,C38H22CrN8Na3O16S2,1031.7,1030.969332,,423,784,0,2,22,8,68,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
TANNIC ACID,001401-55-4,16129778,"[2,3-dihydroxy-5-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy]oxan-2-yl]methoxycarbonyl]phenyl] 3,4,5-trihydroxybenzoate",C1=C(C=C(C(=C1O)O)O)C(=O)OC2=CC(=CC(=C2O)O)C(=O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC(=O)C4=CC(=C(C(=C4)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)OC(=O)C9=CC(=C(C(=C9)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O,"InChI=1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2/t52-,63-,64+,65-,76+/m1/s1",LRBQNJMCXXYXIU-PPKXGCFTSA-N,C76H52O46,1701.2,1700.172974,6.2,778,3570,0,25,46,31,122,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"CHROMATE(2-), [3-HYDROXY-4-[(2-HYDROXY-1-NAPHTHALENYL)AZO]-7-NITRO-1-NAPHTHALE",068556-27-4,163247,"sodium;chromium(3+);1-[[3-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]naphthalen-2-one;hydron;7-nitro-3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate",[H+].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C4C=CC(=CC4=C(C=C3[O-])S(=O)(=O)[O-])[N+](=O)[O-])[O-].C1=CC=C2C(=C1)C=CC(=O)C2=NN=C3C=C(C=CC3=O)N([O-])[O-].[Na+].[Cr+3],"InChI=1S/C20H13N3O7S.C16H9N3O4.Cr.Na/c24-16-8-5-11-3-1-2-4-13(11)19(16)21-22-20-14-7-6-12(23(26)27)9-15(14)18(10-17(20)25)31(28,29)30;20-14-8-6-11(19(22)23)9-13(14)17-18-16-12-4-2-1-3-10(12)5-7-15(16)21;;/h1-10,24-25H,(H,28,29,30);1-9H;;/q;-2;+3;+1/p-2",HHXFIYLFEDFMIO-UHFFFAOYSA-L,C36H20CrN6NaO11S,819.6,819.021351,,290,1470,0,1,16,3,56,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"2,7-NAPHTHALENEDISULFONIC ACID, 4-AMINO-3,6-BIS[[4-[[4-CHLORO-6-[(3-SULFOPHENY",068110-31-6,135461160,"hexasodium;4-amino-3,6-bis[[4-[[4-chloro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonate",C1=CC(=CC(=C1)S(=O)(=O)[O-])NC2=NC(=NC(=N2)Cl)NC3=CC(=C(C=C3)N=NC4=C(C5=C(C(=C(C=C5C=C4S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC6=C(C=C(C=C6)NC7=NC(=NC(=N7)NC8=CC(=CC=C8)S(=O)(=O)[O-])Cl)S(=O)(=O)[O-])N)O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+],"InChI=1S/C40H29Cl2N15O19S6.6Na/c41-35-48-37(44-18-3-1-5-22(13-18)77(59,60)61)52-39(50-35)46-20-7-9-24(26(15-20)79(65,66)67)54-56-32-28(81(71,72)73)11-17-12-29(82(74,75)76)33(34(58)30(17)31(32)43)57-55-25-10-8-21(16-27(25)80(68,69)70)47-40-51-36(42)49-38(53-40)45-19-4-2-6-23(14-19)78(62,63)64;;;;;;/h1-16,58H,43H2,(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H2,44,46,48,50,52)(H2,45,47,49,51,53);;;;;;/q;6*+1/p-6",WOSYRUIVNDCHHH-UHFFFAOYSA-H,C40H23Cl2N15Na6O19S6,1418.9,1416.838212,,615,2900,0,6,34,12,88,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"(1-(((2-HYDROXYPHENYL)IMINO)METHYL)-2-NAPHTHOLATO(2-)-N,O,O')COPPER",15680-42-9,85894,copper 1-[(2-oxidophenyl)iminomethyl]naphthalen-2-olate,C1=CC=C2C(=C1)C=CC(=C2C=NC3=CC=CC=C3[O-])[O-].[Cu+2],"InChI=1S/C17H13NO2.Cu/c19-16-10-9-12-5-1-2-6-13(12)14(16)11-18-15-7-3-4-8-17(15)20;/h1-11,19-20H;/q;+2/p-2",QWBAXCFLJDGFPE-UHFFFAOYSA-L,C17H11CuNO2,324.8,324.008576,,58.5,344,0,0,3,2,21,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PHOSPHODIESTERASE,009025-82-5,161498078,"7-N,7-N-dimethyl-7,8-dihydro-6H-cyclopenta[e][1,3]benzothiazole-2,7-diamine;6-N,6-N-dimethyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzothiazole-2,6-diamine;7-N,7-N-dimethyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzothiazole-2,7-diamine;6-N,6-N-dimethyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazole-2,6-diamine;7-N,7-N-dimethyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazole-2,7-diamine",CN(C)C1CCC2=CC3=C(C=C2C1)N=C(S3)N.CN(C)C1CCC2=CC3=C(C=C2C1)SC(=N3)N.CN(C)C1CC2=C(C1)C3=C(C=C2)SC(=N3)N.CN(C)C1CC2=C(C1)C3=C(C=C2)N=C(S3)N.CN(C)C1CC2=CC3=C(C=C2C1)SC(=N3)N,"InChI=1S/2C13H17N3S.3C12H15N3S/c1-16(2)10-4-3-8-7-12-11(6-9(8)5-10)15-13(14)17-12;1-16(2)10-4-3-8-6-11-12(7-9(8)5-10)17-13(14)15-11;1-15(2)9-3-7-5-10-11(6-8(7)4-9)16-12(13)14-10;1-15(2)8-5-7-3-4-10-11(9(7)6-8)14-12(13)16-10;1-15(2)8-5-7-3-4-10-11(9(7)6-8)16-12(13)14-10/h2*6-7,10H,3-5H2,1-2H3,(H2,14,15);5-6,9H,3-4H2,1-2H3,(H2,13,14);2*3-4,8H,5-6H2,1-2H3,(H2,13,14)",WGMBBKSEXJMGFF-UHFFFAOYSA-N,C62H79N15S5,1194.7,1193.524643,,352,1380,0,5,20,5,82,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
CHITINASE,009001-06-3,50921533,2-[(6-carbamimidoyl-1H-benzimidazol-2-yl)methyl]-3H-benzimidazole-5-carboximidamide;zinc,C1=CC2=C(C=C1C(=N)N)NC(=N2)CC3=NC4=C(N3)C=C(C=C4)C(=N)N.[Zn],"InChI=1S/C17H16N8.Zn/c18-16(19)8-1-3-10-12(5-8)24-14(22-10)7-15-23-11-4-2-9(17(20)21)6-13(11)25-15;/h1-6H,7H2,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25);",IRXYDYDYZGPTNB-UHFFFAOYSA-N,C17H16N8Zn,397.7,396.078934,,157,491,0,6,4,4,26,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
ASCORBATE OXIDASE FROM CURCURBITA SPECIES,009029-44-1,168009863,"2-(4,34,36-trimethyl-2-oxo-1,16,17,18,21,36-hexazaheptacyclo[23.5.3.13,6.15,9.119,23.016,20.028,32]hexatriaconta-3,5,7,9(35),12,17,19(34),20,22,25(33),26,28(32)-dodecaen-24-yl)acetic acid",CC1=C2C(=O)N3CCC4=C(C3)C=C(C=C4)C(C5=CN=C6C(=C5C)N=NN6CCC=CCCC7=CC1=C(N2C)C=C7)CC(=O)O,"InChI=1S/C35H36N6O3/c1-21-29-19-36-34-32(21)37-38-41(34)14-7-5-4-6-8-23-9-12-30-27(16-23)22(2)33(39(30)3)35(44)40-15-13-24-10-11-25(17-26(24)20-40)28(29)18-31(42)43/h4-5,9-12,16-17,19,28H,6-8,13-15,18,20H2,1-3H3,(H,42,43)",IJDQXSQWJLQCRL-UHFFFAOYSA-N,C35H36N6O3,588.7,588.284889,5.1,106,1090,0,1,6,2,44,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
GLYCEROL DEHYDROGENASE,009028-14-2,168266259,,[B]C=C1CC1CO.[B]C=C1CC1CO,"InChI=1S/2C5H7BO/c2*6-2-4-1-5(4)3-7/h2*2,5,7H,1,3H2",WKSDAFMSFHVKON-UHFFFAOYSA-N,C10H14B2O2,187.8,188.11799,,40.5,98,0,2,2,2,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
URICASE,009002-12-4,14228836,"azane;[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate",C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3O)N4C=CC(=O)NC4=O)CO)O)O.N,"InChI=1S/C18H23N4O14P.H3N/c23-5-7-14(13(28)16(34-7)22-4-2-10(25)20-18(22)30)36-37(31,32)33-6-8-11(26)12(27)15(35-8)21-3-1-9(24)19-17(21)29;/h1-4,7-8,11-16,23,26-28H,5-6H2,(H,31,32)(H,19,24,29)(H,20,25,30);1H3",VPXDHZMLJOJKOX-UHFFFAOYSA-N,C18H26N5O14P,567.4,567.1213875,,255,1070,0,8,15,8,38,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
"AMYLASE, .ALPHA.-, ASPERGILLUS ORYZAE",009001-19-8,135292454,2-[2-chloro-5-[(3-cyano-4-fluoroanilino)-hydroxymethyl]-4-fluoro-1-methylpyrrol-3-yl]-2-oxo-N-[1-(trifluoromethyl)cyclobutyl]acetamide,CN1C(=C(C(=C1Cl)C(=O)C(=O)NC2(CCC2)C(F)(F)F)F)C(NC3=CC(=C(C=C3)F)C#N)O,"InChI=1S/C20H16ClF5N4O3/c1-30-14(17(32)28-10-3-4-11(22)9(7-10)8-27)13(23)12(16(30)21)15(31)18(33)29-19(5-2-6-19)20(24,25)26/h3-4,7,17,28,32H,2,5-6H2,1H3,(H,29,33)",SOBFOUWHRAWBAW-UHFFFAOYSA-N,C20H16ClF5N4O3,490.8,490.0831089,3.5,107,817,0,3,10,6,33,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
SODIUM IONOPHORE III,081686-22-8,613672,"N,N-dicyclohexyl-2-[2-[2-(dicyclohexylamino)-2-oxoethoxy]phenoxy]acetamide",C1CCC(CC1)N(C2CCCCC2)C(=O)COC3=CC=CC=C3OCC(=O)N(C4CCCCC4)C5CCCCC5,"InChI=1S/C34H52N2O4/c37-33(35(27-15-5-1-6-16-27)28-17-7-2-8-18-28)25-39-31-23-13-14-24-32(31)40-26-34(38)36(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h13-14,23-24,27-30H,1-12,15-22,25-26H2",GKRBLFCTFPAHMH-UHFFFAOYSA-N,C34H52N2O4,552.8,552.3927081,8.2,59.1,666,0,0,4,10,40,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"BENZENEPROPANOIC ACID, 3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXY-, 1,6-HEXANEDIYL E",035074-77-2,64870,"6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate",CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCCCCCCOC(=O)CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C,"InChI=1S/C40H62O6/c1-37(2,3)29-23-27(24-30(35(29)43)38(4,5)6)17-19-33(41)45-21-15-13-14-16-22-46-34(42)20-18-28-25-31(39(7,8)9)36(44)32(26-28)40(10,11)12/h23-26,43-44H,13-22H2,1-12H3",ZVVFVKJZNVSANF-UHFFFAOYSA-N,C40H62O6,638.9,638.4546397,11.2,93.1,805,0,2,6,19,46,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1
"2,4,8,10-TETRAOXA-3,9-DIPHOSPHASPIRO[5.5]UNDECANE, 3,9-BIS(OCTADECYLOXY)-",003806-34-6,19645,"3,9-dioctadecoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane",CCCCCCCCCCCCCCCCCCOP1OCC2(CO1)COP(OC2)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C41H82O6P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42-48-44-37-41(38-45-48)39-46-49(47-40-41)43-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3",PZRWFKGUFWPFID-UHFFFAOYSA-N,C41H82O6P2,733,732.5586643,17.3,55.4,611,0,0,6,36,49,,,0,0,0,0,0,0,1,0,0,0,1,0,0,1,0,0,0,0,0,0
KINETIN,000525-79-1,3830,N-(furan-2-ylmethyl)-7H-purin-6-amine,C1=COC(=C1)CNC2=NC=NC3=C2NC=N3,"InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)",QANMHLXAZMSUEX-UHFFFAOYSA-N,C10H9N5O,215.21,215.0807099,1,79.6,239,0,2,5,3,16,,,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"DIBENZO(A,H)PYRENE",000189-64-0,9108,"hexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaene",C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC6=CC=CC=C56)C=C3,InChI=1S/C24H14/c1-3-7-19-15(5-1)13-17-9-12-22-20-8-4-2-6-16(20)14-18-10-11-21(19)23(17)24(18)22/h1-14H,RXUSYFJGDZFVND-UHFFFAOYSA-N,C24H14,302.4,302.1095504,7,0,436,0,0,0,0,24,,,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
METHYLCHOLANTHRENE,000056-49-5,1674,"3-methyl-1,2-dihydrobenzo[j]aceanthrylene",CC1=C2CCC3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1,"InChI=1S/C21H16/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h2-9,12H,10-11H2,1H3",PPQNQXQZIWHJRB-UHFFFAOYSA-N,C21H16,268.4,268.1252005,6.4,0,399,0,0,0,0,21,,"536 °F at 80 mmHg (NTP, 1992)",0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
OXYMETHOLONE,000434-07-1,5281034,"(2Z,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-2-(hydroxymethylidene)-10,13,17-trimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(C/C(=C/O)/C(=O)C4)C,"InChI=1S/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3/b13-12-/t14-,15+,16-,17-,19-,20-,21-/m0/s1",ICMWWNHDUZJFDW-DHODBPELSA-N,C21H32O3,332.5,332.2351449,4.4,57.5,596,0,2,3,0,24,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"DIBENZ(A,J)ANTHRACENE",000224-41-9,9176,"pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene",C1=CC=C2C(=C1)C=CC3=CC4=C(C=C32)C5=CC=CC=C5C=C4,InChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-13-18-12-10-16-6-2-4-8-20(16)22(18)14-21(17)19/h1-14H,KLIHYVJAYWCEDM-UHFFFAOYSA-N,C22H14,278.3,278.1095504,6.5,0,363,0,0,0,0,22,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZAMIDE, 3-[[[2,4-BIS(1,1-DIMETHYLPROPYL)PHENOXY]ACETYL]AMINO]-N-[4,5-DIHYDR",055664-78-3,171464,"3-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetyl]amino]-N-[4-[(2-methoxyphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide",CCC(C)(C)C1=CC(=C(C=C1)OCC(=O)NC2=CC=CC(=C2)C(=O)NC3=NN(C(=O)C3N=NC4=CC=CC=C4OC)C5=C(C=C(C=C5Cl)Cl)Cl)C(C)(C)CC,"InChI=1S/C41H43Cl3N6O5/c1-8-40(3,4)25-17-18-32(28(20-25)41(5,6)9-2)55-23-34(51)45-27-14-12-13-24(19-27)38(52)46-37-35(48-47-31-15-10-11-16-33(31)54-7)39(53)50(49-37)36-29(43)21-26(42)22-30(36)44/h10-22,35H,8-9,23H2,1-7H3,(H,45,51)(H,46,49,52)",NFEPASHQYDHYMK-UHFFFAOYSA-N,C41H43Cl3N6O5,806.2,804.236052,11.4,134,1390,0,2,8,14,55,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
RAMIPRIL,087333-19-5,5362129,"(2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid",CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)O,"InChI=1S/C23H32N2O5/c1-3-30-23(29)18(13-12-16-8-5-4-6-9-16)24-15(2)21(26)25-19-11-7-10-17(19)14-20(25)22(27)28/h4-6,8-9,15,17-20,24H,3,7,10-14H2,1-2H3,(H,27,28)/t15-,17-,18-,19-,20-/m0/s1",HDACQVRGBOVJII-JBDAPHQKSA-N,C23H32N2O5,416.5,416.2311221,1.4,95.9,619,0,2,6,10,30,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"5-Heptenoic acid, 7-(3,5-dihydroxy-2-(2-(2-(phenoxymethyl)-1,3-dioxolan-2-yl)e",059619-81-7,5311241,"(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]cyclopentyl]hept-5-enoic acid",C1COC(O1)(COC2=CC=CC=C2)/C=C/[C@H]3[C@@H](C[C@@H]([C@@H]3C/C=C\CCCC(=O)O)O)O,"InChI=1S/C24H32O7/c25-21-16-22(26)20(19(21)10-6-1-2-7-11-23(27)28)12-13-24(30-14-15-31-24)17-29-18-8-4-3-5-9-18/h1,3-6,8-9,12-13,19-22,25-26H,2,7,10-11,14-17H2,(H,27,28)/b6-1-,13-12+/t19-,20-,21+,22-/m1/s1",BPALXSWPHQNCAA-RLJNYRALSA-N,C24H32O7,432.5,432.2148034,2.1,105,605,0,3,7,11,31,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
ESTRONE BENZOATE,002393-53-5,15818351,"[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] benzoate",C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5,"InChI=1S/C25H26O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-22H,7,9,11-14H2,1H3/t20-,21-,22+,25+/m1/s1",HKUKRSLIEVXDMS-APDHKMKFSA-N,C25H26O3,374.5,374.1881947,4.9,43.4,621,0,0,3,3,28,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
COLISTIMETHATE SODIUM,008068-28-8,44585614,"6-methyl-N-[2-[(2S,5S,8S,11S,14S,17S,20S,23S)-8,11,14,20-tetrakis(2-aminoethyl)-5-[(1R)-1-hydroxyethyl]-17,23-bis(2-methylpropyl)-3,6,9,12,15,18,21,24-octaoxo-1,4,7,10,13,16,19,22-octazacyclotetracos-2-yl]ethyl]octanamide",CCC(C)CCCCC(=O)NCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CCN)CC(C)C)CCN)CCN)CCN)[C@@H](C)O,"InChI=1S/C45H85N13O10/c1-8-27(6)11-9-10-12-36(60)50-22-17-33-42(65)58-37(28(7)59)45(68)55-32(16-21-49)39(62)51-29(13-18-46)38(61)52-30(14-19-47)40(63)56-34(23-25(2)3)43(66)53-31(15-20-48)41(64)57-35(24-26(4)5)44(67)54-33/h25-35,37,59H,8-24,46-49H2,1-7H3,(H,50,60)(H,51,62)(H,52,61)(H,53,66)(H,54,67)(H,55,68)(H,56,63)(H,57,64)(H,58,65)/t27?,28-,29+,30+,31+,32+,33+,34+,35+,37+/m1/s1",RPABDKTXMKOGKI-OYTUFZPASA-N,C45H85N13O10,968.2,967.654236,-0.7,386,1640,0,14,14,22,68,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"2,4-Thiazolidinedione, 5-((4-((1-methylcyclohexyl)methoxy)phenyl)methyl)-",074772-77-3,2750,"5-[[4-[(1-methylcyclohexyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione",CC1(CCCCC1)COC2=CC=C(C=C2)CC3C(=O)NC(=O)S3,"InChI=1S/C18H23NO3S/c1-18(9-3-2-4-10-18)12-22-14-7-5-13(6-8-14)11-15-16(20)19-17(21)23-15/h5-8,15H,2-4,9-12H2,1H3,(H,19,20,21)",YZFWTZACSRHJQD-UHFFFAOYSA-N,C18H23NO3S,333.4,333.1398648,4.8,80.7,440,0,1,4,5,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
CONIVAPTAN HYDROCHLORIDE,168626-94-6,216322,"N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide;hydrochloride",CC1=NC2=C(N1)CCN(C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5C6=CC=CC=C6.Cl,"InChI=1S/C32H26N4O2.ClH/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22;/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37);1H",BTYHAFSDANBVMJ-UHFFFAOYSA-N,C32H27ClN4O2,535,534.1822538,,78.1,820,0,3,3,4,39,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
CORONENE,000191-07-1,9115,coronene,C1=CC2=C3C4=C1C=CC5=C4C6=C(C=C5)C=CC7=C6C3=C(C=C2)C=C7,InChI=1S/C24H12/c1-2-14-5-6-16-9-11-18-12-10-17-8-7-15-4-3-13(1)19-20(14)22(16)24(18)23(17)21(15)19/h1-12H,VPUGDVKSAQVFFS-UHFFFAOYSA-N,C24H12,300.4,300.0939004,7.2,0,376,0,0,0,0,24,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
PICENE,000213-46-7,9162,picene,C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C=CC5=CC=CC=C54,InChI=1S/C22H14/c1-3-7-17-15(5-1)9-11-21-19(17)13-14-20-18-8-4-2-6-16(18)10-12-22(20)21/h1-14H,GBROPGWFBFCKAG-UHFFFAOYSA-N,C22H14,278.3,278.1095504,7,0,361,0,0,0,0,22,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"4,5,6,7-TETRAHYDRO-1-(4-METHOXYPHENYL)-7-OXO-6-(4-(2-OXO-1-PIPERIDINYL)PHENYL)-1H-PYRAZOLO(3,4-C)PYRIDINE-3-CARBOXAMIDE",503612-47-3,10182969,"1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide",COC1=CC=C(C=C1)N2C3=C(CCN(C3=O)C4=CC=C(C=C4)N5CCCCC5=O)C(=N2)C(=O)N,"InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)",QNZCBYKSOIHPEH-UHFFFAOYSA-N,C25H25N5O4,459.5,459.1906543,2.2,111,777,0,1,5,5,34,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
DAPTOMYCIN,103060-53-3,21585658,"(3S)-3-[[(2R)-4-amino-2-[[(2S)-2-(decanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-4-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-[(2R)-1-carboxypropan-2-yl]-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonazacyclohentriacont-30-yl]amino]-4-oxobutanoic acid",CCCCCCCCCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]3[C@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC3=O)CCCN)CC(=O)O)C)CC(=O)O)CO)[C@H](C)CC(=O)O)CC(=O)C4=CC=CC=C4N)C,"InChI=1S/C72H101N17O26/c1-5-6-7-8-9-10-11-22-53(93)81-44(25-38-31-76-42-20-15-13-17-39(38)42)66(108)84-45(27-52(75)92)67(109)86-48(30-59(102)103)68(110)89-61-37(4)115-72(114)49(26-51(91)40-18-12-14-19-41(40)74)87-71(113)60(35(2)24-56(96)97)88-69(111)50(34-90)82-55(95)32-77-63(105)46(28-57(98)99)83-62(104)36(3)79-65(107)47(29-58(100)101)85-64(106)43(21-16-23-73)80-54(94)33-78-70(61)112/h12-15,17-20,31,35-37,43-50,60-61,76,90H,5-11,16,21-30,32-34,73-74H2,1-4H3,(H2,75,92)(H,77,105)(H,78,112)(H,79,107)(H,80,94)(H,81,93)(H,82,95)(H,83,104)(H,84,108)(H,85,106)(H,86,109)(H,87,113)(H,88,111)(H,89,110)(H,96,97)(H,98,99)(H,100,101)(H,102,103)/t35-,36-,37-,43+,44+,45-,46+,47+,48+,49+,50-,60+,61+/m1/s1",DOAKLVKFURWEDJ-QCMAZARJSA-N,C72H101N17O26,1620.7,1619.710366,-5.1,702,3480,0,22,28,35,115,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"THIOPEROXYDICARBONIC DIAMIDE ([(H2N)C(S)]2S2), DIMETHYLDIPHENYL-",053880-86-7,3034737,(4-methylphenyl)carbamothioylsulfanyl N-(4-methylphenyl)carbamodithioate,CC1=CC=C(C=C1)NC(=S)SSC(=S)NC2=CC=C(C=C2)C,"InChI=1S/C16H16N2S4/c1-11-3-7-13(8-4-11)17-15(19)21-22-16(20)18-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,17,19)(H,18,20)",DKIOSBCZGFSSFK-UHFFFAOYSA-N,C16H16N2S4,364.6,364.0196332,5.2,139,336,0,2,4,5,22,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"1H-Benzimidazole, 5-chloro-6-(2,3-dichlorophenoxy)-2-(methylthio)-",068786-66-3,50248,"6-chloro-5-(2,3-dichlorophenoxy)-2-methylsulfanyl-1H-benzimidazole",CSC1=NC2=CC(=C(C=C2N1)Cl)OC3=C(C(=CC=C3)Cl)Cl,"InChI=1S/C14H9Cl3N2OS/c1-21-14-18-9-5-8(16)12(6-10(9)19-14)20-11-4-2-3-7(15)13(11)17/h2-6H,1H3,(H,18,19)",NQPDXQQQCQDHHW-UHFFFAOYSA-N,C14H9Cl3N2OS,359.7,357.950117,5.7,63.2,365,0,1,3,3,21,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"1,3-DIOXANE, 2-(2,4-DIMETHYL-3-CYCLOHEXEN-1-YL)-5-METHYL-5-(1-METHYLPROPYL)-",117933-89-8,16070752,"5-butan-2-yl-2-(2,4-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-dioxane",CCC(C)C1(COC(OC1)C2CCC(=CC2C)C)C,"InChI=1S/C17H30O2/c1-6-14(4)17(5)10-18-16(19-11-17)15-8-7-12(2)9-13(15)3/h9,13-16H,6-8,10-11H2,1-5H3",DASQRZJTRKBKPP-UHFFFAOYSA-N,C17H30O2,266.4,266.2245802,4.4,18.5,326,0,0,2,3,19,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
INDAZIFLAM,950782-86-2,44146693,"2-N-[(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine",C[C@H]1CC2=C([C@@H]1NC3=NC(=NC(=N3)N)C(C)F)C=C(C=C2)C,"InChI=1S/C16H20FN5/c1-8-4-5-11-7-9(2)13(12(11)6-8)19-16-21-14(10(3)17)20-15(18)22-16/h4-6,9-10,13H,7H2,1-3H3,(H3,18,19,20,21,22)/t9-,10?,13+/m0/s1",YFONKFDEZLYQDH-BOURZNODSA-N,C16H20FN5,301.36,301.1702738,3.2,76.7,382,0,2,6,3,22,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
BIS(THIOBENZOYL) DISULFIDE,005873-93-8,10902862,benzenecarbonothioylsulfanyl benzenecarbodithioate,C1=CC=C(C=C1)C(=S)SSC(=S)C2=CC=CC=C2,InChI=1S/C14H10S4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H,LWGLGSPYKZTZBM-UHFFFAOYSA-N,C14H10S4,306.5,305.966535,5,115,258,0,0,4,5,18,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
DYNASORE HYDRATE,1202867-00-2,136239889,"N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide;hydrate",C1=CC=C2C=C(C(=CC2=C1)C(=O)N/N=C/C3=CC(=C(C=C3)O)O)O.O,"InChI=1S/C18H14N2O4.H2O/c21-15-6-5-11(7-17(15)23)10-19-20-18(24)14-8-12-3-1-2-4-13(12)9-16(14)22;/h1-10,21-23H,(H,20,24);1H2/b19-10+;",FKWZHQSDBMSHTN-ZIOFAICLSA-N,C18H16N2O5,340.3,340.1059216,,103,470,0,5,6,3,25,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-PROPANEDIOL, 2-[(BENZOYLOXY)METHYL]-2-METHYL-, DIBENZOATE",004196-87-6,20168,[3-benzoyloxy-2-(benzoyloxymethyl)-2-methylpropyl] benzoate,CC(COC(=O)C1=CC=CC=C1)(COC(=O)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3,"InChI=1S/C26H24O6/c1-26(17-30-23(27)20-11-5-2-6-12-20,18-31-24(28)21-13-7-3-8-14-21)19-32-25(29)22-15-9-4-10-16-22/h2-16H,17-19H2,1H3",PJLLCGNQPWXWGL-UHFFFAOYSA-N,C26H24O6,432.5,432.1572885,5.5,78.9,528,0,0,6,12,32,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Thiocarbamic acid, N-(6-methoxy-2-pyridyl)-N-methyl-, O-3-tert-butylphenyl est",088678-67-5,93486,O-(3-tert-butylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamothioate,CC(C)(C)C1=CC(=CC=C1)OC(=S)N(C)C2=NC(=CC=C2)OC,"InChI=1S/C18H22N2O2S/c1-18(2,3)13-8-6-9-14(12-13)22-17(23)20(4)15-10-7-11-16(19-15)21-5/h6-12H,1-5H3",VTRWMTJQBQJKQH-UHFFFAOYSA-N,C18H22N2O2S,330.4,330.1401991,5.2,66.7,397,0,0,4,5,23,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-BENZOTHIAZOLESULFENAMIDE, N-(2-BENZOTHIAZOLYLTHIO)-N-(1,1-DIMETHYLETHYL)-",003741-80-8,77344,"N,N-bis(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropan-2-amine",CC(C)(C)N(SC1=NC2=CC=CC=C2S1)SC3=NC4=CC=CC=C4S3,"InChI=1S/C18H17N3S4/c1-18(2,3)21(24-16-19-12-8-4-6-10-14(12)22-16)25-17-20-13-9-5-7-11-15(13)23-17/h4-11H,1-3H3",VILGDADBAQFRJE-UHFFFAOYSA-N,C18H17N3S4,403.6,403.0305323,6.8,136,424,0,0,7,5,25,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
PYRIPROXYFEN,095737-68-1,91753,2-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine,CC(COC1=CC=C(C=C1)OC2=CC=CC=C2)OC3=CC=CC=N3,"InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3",NHDHVHZZCFYRSB-UHFFFAOYSA-N,C20H19NO3,321.4,321.1364935,4.8,40.6,338,0,0,4,7,24,119 °C c.c.,318 °C,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,7-NAPHTHALENEDISULFONIC ACID, 3-[(5-CHLORO-2-PHENOXYPHENYL)AZO]-4-HYDROXY-5-",006416-66-6,160832,"disodium;3-[(5-chloro-2-phenoxyphenyl)diazenyl]-4-hydroxy-5-[(4-methylphenyl)sulfonylamino]naphthalene-2,7-disulfonate",CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C(=C3O)N=NC4=C(C=CC(=C4)Cl)OC5=CC=CC=C5)S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C29H22ClN3O10S3.2Na/c1-17-7-10-21(11-8-17)44(35,36)33-24-16-22(45(37,38)39)13-18-14-26(46(40,41)42)28(29(34)27(18)24)32-31-23-15-19(30)9-12-25(23)43-20-5-3-2-4-6-20;;/h2-16,33-34H,1H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2",XDBZPHDFHYZHNG-UHFFFAOYSA-L,C29H20ClN3Na2O10S3,748.1,746.9794736,,240,1360,0,2,13,7,48,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2(1H)-QUINOLINONE, 4-HYDROXY-1-METHYL-3-[(3-NITROPHENYL)AZO]-",006439-53-8,135548088,4-hydroxy-1-methyl-3-[(3-nitrophenyl)diazenyl]quinolin-2-one,CN1C2=CC=CC=C2C(=C(C1=O)N=NC3=CC(=CC=C3)[N+](=O)[O-])O,"InChI=1S/C16H12N4O4/c1-19-13-8-3-2-7-12(13)15(21)14(16(19)22)18-17-10-5-4-6-11(9-10)20(23)24/h2-9,21H,1H3",XXSLVBDPACXUDO-UHFFFAOYSA-N,C16H12N4O4,324.29,324.0858549,2.7,111,583,0,1,6,2,24,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,4,5-BENZENETETRACARBOXYLIC ACID, COMPD. WITH 4,5-DIHYDRO-2-PHENYL-1H-IMIDA",054553-90-1,108607,"benzene-1,2,4,5-tetracarboxylic acid;2-phenyl-4,5-dihydro-1H-imidazole",C1CN=C(N1)C2=CC=CC=C2.C1=C(C(=CC(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O,"InChI=1S/C10H6O8.C9H10N2/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;1-2-4-8(5-3-1)9-10-6-7-11-9/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);1-5H,6-7H2,(H,10,11)",TZBVXASHYYFGHZ-UHFFFAOYSA-N,C19H16N2O8,400.3,400.0906655,,174,484,0,5,9,5,29,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,4-DIOXACYCLOHEPTADECANE-5,17-DIONE",000105-95-3,61014,"1,4-dioxacycloheptadecane-5,17-dione",C1CCCCCC(=O)OCCOC(=O)CCCCC1,InChI=1S/C15H26O4/c16-14-10-8-6-4-2-1-3-5-7-9-11-15(17)19-13-12-18-14/h1-13H2,XRHCAGNSDHCHFJ-UHFFFAOYSA-N,C15H26O4,270.36,270.1831093,4.2,52.6,237,0,0,4,0,19,,138.00 to 142.00 °C. @ 1.00 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,5-TRIS((4-TERT-BUTYL-3-HYDROXY-2,6-XYLYL)METHYL)-1,3,5-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE",040601-76-1,93221,"1,3,5-tris[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]-1,3,5-triazinane-2,4,6-trione",CC1=CC(=C(C(=C1CN2C(=O)N(C(=O)N(C2=O)CC3=C(C(=C(C=C3C)C(C)(C)C)O)C)CC4=C(C(=C(C=C4C)C(C)(C)C)O)C)C)O)C(C)(C)C,"InChI=1S/C42H57N3O6/c1-22-16-31(40(7,8)9)34(46)25(4)28(22)19-43-37(49)44(20-29-23(2)17-32(41(10,11)12)35(47)26(29)5)39(51)45(38(43)50)21-30-24(3)18-33(42(13,14)15)36(48)27(30)6/h16-18,46-48H,19-21H2,1-15H3",XYXJKPCGSGVSBO-UHFFFAOYSA-N,C42H57N3O6,699.9,699.4247366,10,122,1090,0,3,6,9,51,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
N-(3-CARBOXY-1-OXOPROPYL)-L-LEUCYL-L-LEUCYL-L-VALYL-N-(4-METHYL-2-OXO-2H-1-BENZOPYRAN-7-YL)- L-TYROSINAMIDE,094367-21-2,10234210,4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid,CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)O,"InChI=1S/C40H53N5O10/c1-21(2)16-29(42-33(47)14-15-34(48)49)38(52)43-30(17-22(3)4)39(53)45-36(23(5)6)40(54)44-31(19-25-8-11-27(46)12-9-25)37(51)41-26-10-13-28-24(7)18-35(50)55-32(28)20-26/h8-13,18,20-23,29-31,36,46H,14-17,19H2,1-7H3,(H,41,51)(H,42,47)(H,43,52)(H,44,54)(H,45,53)(H,48,49)/t29-,30-,31-,36-/m0/s1",UVFAEQZFLBGVRM-MSMWPWNWSA-N,C40H53N5O10,763.9,763.3792429,4.3,229,1410,0,7,10,19,55,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzene, 1,3,5-trimethyl-2,4,6-tris(3,5-di-t-butyl-4-hydroxybenzyl)-",001709-70-2,74370,"4-[[3,5-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,4,6-trimethylphenyl]methyl]-2,6-ditert-butylphenol",CC1=C(C(=C(C(=C1CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C)CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C)CC4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C,"InChI=1S/C54H78O3/c1-31-37(22-34-25-40(49(4,5)6)46(55)41(26-34)50(7,8)9)32(2)39(24-36-29-44(53(16,17)18)48(57)45(30-36)54(19,20)21)33(3)38(31)23-35-27-42(51(10,11)12)47(56)43(28-35)52(13,14)15/h25-30,55-57H,22-24H2,1-21H3",VSAWBBYYMBQKIK-UHFFFAOYSA-N,C54H78O3,775.2,774.5950964,17.7,60.7,1030,0,3,3,12,57,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,4-CYCLOHEXANEDIMETHANOL, DIBENZOATE",035541-81-2,118244,[4-(benzoyloxymethyl)cyclohexyl]methyl benzoate,C1CC(CCC1COC(=O)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3,"InChI=1S/C22H24O4/c23-21(19-7-3-1-4-8-19)25-15-17-11-13-18(14-12-17)16-26-22(24)20-9-5-2-6-10-20/h1-10,17-18H,11-16H2",CVPZXHCZKMFVOZ-UHFFFAOYSA-N,C22H24O4,352.4,352.1674592,5,52.6,399,0,0,4,8,26,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4,8,10-TETRAOXA-3,9-DIPHOSPHASPIRO[5.5]UNDECANE, 3,9-BIS[2,4-BIS(1-METHYL-1-",154862-43-8,164499,"3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane",CC(C)(C1=CC=CC=C1)C2=CC(=C(C=C2)OP3OCC4(CO3)COP(OC4)OC5=C(C=C(C=C5)C(C)(C)C6=CC=CC=C6)C(C)(C)C7=CC=CC=C7)C(C)(C)C8=CC=CC=C8,"InChI=1S/C53H58O6P2/c1-49(2,39-21-13-9-14-22-39)43-29-31-47(45(33-43)51(5,6)41-25-17-11-18-26-41)58-60-54-35-53(36-55-60)37-56-61(57-38-53)59-48-32-30-44(50(3,4)40-23-15-10-16-24-40)34-46(48)52(7,8)42-27-19-12-20-28-42/h9-34H,35-38H2,1-8H3",WBWXVCMXGYSMQA-UHFFFAOYSA-N,C53H58O6P2,853,852.3708636,14.4,55.4,1240,0,0,6,12,61,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4-Diazaspiro(5.5)undecane-1,3,5-trione",52-44-8,5843,"2,4-diazaspiro[5.5]undecane-1,3,5-trione",C1CCC2(CC1)C(=O)NC(=O)NC2=O,"InChI=1S/C9H12N2O3/c12-6-9(4-2-1-3-5-9)7(13)11-8(14)10-6/h1-5H2,(H2,10,11,12,13,14)",NBLIVIWUPTWDMD-UHFFFAOYSA-N,C9H12N2O3,196.2,196.0847923,0.8,75.3,283,0,2,3,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benz(c)acridine-7-carboxylic acid, 5,6-dihydro-",83-93-2,120171,"5,6-dihydrobenzo[c]acridine-7-carboxylic acid",C1CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C41)C(=O)O,"InChI=1S/C18H13NO2/c20-18(21)16-13-7-3-4-8-15(13)19-17-12-6-2-1-5-11(12)9-10-14(16)17/h1-8H,9-10H2,(H,20,21)",QWNOQAWEROHNNQ-UHFFFAOYSA-N,C18H13NO2,275.3,275.0946287,3.7,50.2,410,0,1,3,1,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"p-Phenylenediamine, N,N'-(di-2-naphthyl)-",93-46-9,7142,"1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine",C1=CC=C2C=C(C=CC2=C1)NC3=CC=C(C=C3)NC4=CC5=CC=CC=C5C=C4,"InChI=1S/C26H20N2/c1-3-7-21-17-25(11-9-19(21)5-1)27-23-13-15-24(16-14-23)28-26-12-10-20-6-2-4-8-22(20)18-26/h1-18,27-28H",VETPHHXZEJAYOB-UHFFFAOYSA-N,C26H20N2,360.4,360.1626486,7.5,24.1,439,0,2,2,4,28,,"Decomposes at 450-453 °F (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"Carbonic acid, trithio-, cyclic ester with 2,3-quinoxalinedithiol",93-75-4,7159,"[1,3]dithiolo[4,5-b]quinoxaline-2-thione",C1=CC=C2C(=C1)N=C3C(=N2)SC(=S)S3,InChI=1S/C9H4N2S3/c12-9-13-7-8(14-9)11-6-4-2-1-3-5(6)10-7/h1-4H,ILERPRJWJPJZDN-UHFFFAOYSA-N,C9H4N2S3,236.3,235.9536617,3.3,108,234,0,0,5,0,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"p-Phenylenediamine, N-phenyl-N'-cyclohexyl-",101-87-1,92093,"1-N-cyclohexyl-4-N-phenylbenzene-1,4-diamine",C1CCC(CC1)NC2=CC=C(C=C2)NC3=CC=CC=C3,"InChI=1S/C18H22N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1,3-4,7-8,11-14,16,19-20H,2,5-6,9-10H2",ZRMMVODKVLXCBB-UHFFFAOYSA-N,C18H22N2,266.4,266.1782987,5.3,24.1,259,0,2,2,4,20,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Lobeline, sulfate (2:1) (salt)",134-64-5,120636,"bis(2-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanone);sulfuric acid",CN1[C@@H](CCC[C@@H]1CC(=O)C2=CC=CC=C2)C[C@@H](C3=CC=CC=C3)O.CN1[C@@H](CCC[C@@H]1CC(=O)C2=CC=CC=C2)C[C@@H](C3=CC=CC=C3)O.OS(=O)(=O)O,"InChI=1S/2C22H27NO2.H2O4S/c2*1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18;1-5(2,3)4/h2*2-7,9-12,19-21,24H,8,13-16H2,1H3;(H2,1,2,3,4)/t2*19-,20+,21-;/m00./s1",GRZMOSSVIPFGFF-GNJLJDPWSA-N,C44H56N2O8S,773,772.3757379,,164,494,0,4,10,12,55,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Barbituric acid, 5-(1-cyclohexen-1-yl)-5-ethyl-, calcium salt (2:1)",143-76-0,13293232,"calcium bis(5-(cyclohexen-1-yl)-5-ethyl-2,6-dioxopyrimidin-4-olate)",CCC1(C(=O)NC(=O)N=C1[O-])C2=CCCCC2.CCC1(C(=O)NC(=O)N=C1[O-])C2=CCCCC2.[Ca+2],"InChI=1S/2C12H16N2O3.Ca/c2*1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;/h2*6H,2-5,7H2,1H3,(H2,13,14,15,16,17);/q;;+2/p-2",LQOCSNZFBLPUID-UHFFFAOYSA-L,C24H30CaN4O6,510.6,510.1791255,,163,425,0,2,6,4,35,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"(1,2,4)Triazolo(4,3-a)quinoline",235-06-3,67477,"[1,2,4]triazolo[4,3-a]quinoline",C1=CC=C2C(=C1)C=CC3=NN=CN32,InChI=1S/C10H7N3/c1-2-4-9-8(3-1)5-6-10-12-11-7-13(9)10/h1-7H,PIRYKGLQLCKQPG-UHFFFAOYSA-N,C10H7N3,169.18,169.0639972,2.5,30.2,195,0,0,2,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Thieno(2,3-c)pyridine",272-12-8,9224,"thieno[2,3-c]pyridine",C1=CN=CC2=C1C=CS2,InChI=1S/C7H5NS/c1-3-8-5-7-6(1)2-4-9-7/h1-5H,GDQBPBMIAFIRIU-UHFFFAOYSA-N,C7H5NS,135.19,135.0142703,1.9,41.1,105,0,0,2,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
beta-Erythroidine,466-81-9,10074,"(1S,16R)-16-methoxy-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadeca-2(7),12,14-trien-4-one",CO[C@@H]1C[C@]23C4=C(CCN2CC=C3C=C1)COC(=O)C4,"InChI=1S/C16H19NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2-3,5,13H,4,6-10H2,1H3/t13-,16-/m0/s1",PXWINCSLFXUWBZ-BBRMVZONSA-N,C16H19NO3,273.33,273.1364935,-0.2,38.8,560,0,0,4,1,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Oxacyclooctacosa-17,19,21,23,25-pentaen-2-one, 4,6,8,10,12,14,16,27-octahydroxy-3-(1-hydroxyhexyl)-17,28-dimethyl-",480-49-9,6433194,"(3R,4S,6S,8S,10R,12R,14R,16S,17E,19E,21E,23E,25E,27S,28R)-4,6,8,10,12,14,16,27-octahydroxy-3-[(1R)-1-hydroxyhexyl]-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one",CCCCC[C@H]([C@@H]1[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@@H](/C(=C/C=C/C=C/C=C/C=C/[C@@H]([C@H](OC1=O)C)O)/C)O)O)O)O)O)O)O)O,"InChI=1S/C35H58O11/c1-4-5-11-16-31(42)34-33(44)22-29(40)20-27(38)18-25(36)17-26(37)19-28(39)21-32(43)23(2)14-12-9-7-6-8-10-13-15-30(41)24(3)46-35(34)45/h6-10,12-15,24-34,36-44H,4-5,11,16-22H2,1-3H3/b7-6+,10-8+,12-9+,15-13+,23-14+/t24-,25+,26-,27+,28-,29+,30+,31-,32+,33+,34-/m1/s1",IMQSIXYSKPIGPD-YQRUMEKGSA-N,C35H58O11,654.8,654.3979127,3.2,208,991,0,9,11,5,46,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrrolo(2,1-b)quinazolin-9(1H)-one, 2,3-dihydro-3-hydroxy-, (3S)-",486-64-6,442935,"(3S)-3-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one",C1CN2C(=NC3=CC=CC=C3C2=O)[C@H]1O,"InChI=1S/C11H10N2O2/c14-9-5-6-13-10(9)12-8-4-2-1-3-7(8)11(13)15/h1-4,9,14H,5-6H2/t9-/m0/s1",SDIVYZXRQHWCKF-VIFPVBQESA-N,C11H10N2O2,202.21,202.0742276,0.4,52.9,327,0,1,3,0,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Songorine,509-24-0,71456946,"(1R,2R,5R,7R,8R,9R,10R,13R,16S,17R)-11-ethyl-7,16-dihydroxy-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecan-4-one",CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@@H]([C@H]31)[C@]56[C@H]4CC(=O)[C@H](C5)C(=C)[C@H]6O)O)C,"InChI=1S/C22H31NO3/c1-4-23-10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-13,15-19,25-26H,2,4-10H2,1,3H3/t12-,13+,15-,16-,17+,18-,19-,20+,21+,22+/m1/s1",CBOSLVQFGANWTL-DVPYZRQCSA-N,C22H31NO3,357.5,357.2303939,1.1,60.8,735,0,2,4,1,26,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Indolo(2',3':3,4)pyrido(2,1-b)quinazolin-5(7H)-one, 8,13,13b,14-tetrahydro-14-methyl-, (13bS)-",518-17-2,442088,"(1S)-21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one",CN1[C@@H]2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3,"InChI=1S/C19H17N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9,18,20H,10-11H2,1H3/t18-/m0/s1",TXDUTHBFYKGSAH-SFHVURJKSA-N,C19H17N3O,303.4,303.1371622,3.1,39.3,495,0,1,2,0,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3H-1,2-Dithiole-3-thione, 5-(p-methoxyphenyl)-",532-11-6,2194,5-(4-methoxyphenyl)dithiole-3-thione,COC1=CC=C(C=C1)C2=CC(=S)SS2,"InChI=1S/C10H8OS3/c1-11-8-4-2-7(3-5-8)9-6-10(12)14-13-9/h2-6H,1H3",KYLIZBIRMBGUOP-UHFFFAOYSA-N,C10H8OS3,240.4,239.9737284,2.8,91.9,254,0,0,4,2,14,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"9-Azabicyclo(3.3.1)nonan-3-one, 9-methyl-",552-70-5,6602484,"(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-one",CN1[C@@H]2CCC[C@H]1CC(=O)C2,"InChI=1S/C9H15NO/c1-10-7-3-2-4-8(10)6-9(11)5-7/h7-8H,2-6H2,1H3/t7-,8+",RHWSKVCZXBAWLZ-OCAPTIKFSA-N,C9H15NO,153.22,153.1153641,0.7,20.3,162,0,0,2,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5H-Benzocycloheptene-5-one, 2,3,4,6-tetrahydroxy-",569-77-7,135403797,"2,3,4,6-tetrahydroxybenzo[7]annulen-5-one",C1=CC2=CC(=C(C(=C2C(=O)C(=C1)O)O)O)O,"InChI=1S/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14)",WDGFFVCWBZVLCE-UHFFFAOYSA-N,C11H8O5,220.18,220.0371734,2.1,98,359,0,4,5,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2'-Azonaphthalene",582-08-1,11395,dinaphthalen-2-yldiazene,C1=CC=C2C=C(C=CC2=C1)N=NC3=CC4=CC=CC=C4C=C3,InChI=1S/C20H14N2/c1-3-7-17-13-19(11-9-15(17)5-1)21-22-20-12-10-16-6-2-4-8-18(16)14-20/h1-14H,GSCOATNEHHMXKY-UHFFFAOYSA-N,C20H14N2,282.3,282.1156985,6.2,24.7,355,0,0,2,2,22,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzamide, 3-(aminosulfonyl)-4-chloro-N-((2R,6S)-2,6-dimethyl-1-piperidinyl)-, rel-",636-54-4,12492,"4-chloro-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-sulfamoylbenzamide",C[C@@H]1CCC[C@@H](N1NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N)C,"InChI=1S/C14H20ClN3O3S/c1-9-4-3-5-10(2)18(9)17-14(19)11-6-7-12(15)13(8-11)22(16,20)21/h6-10H,3-5H2,1-2H3,(H,17,19)(H2,16,20,21)/t9-,10+",LBXHRAWDUMTPSE-AOOOYVTPSA-N,C14H20ClN3O3S,345.8,345.0913904,2.3,101,498,0,2,5,3,22,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"4-Pyridinecarboxylic acid, 2-((2-hydroxy-1-naphthalenyl)methylene)hydrazide",796-42-9,135400486,N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide,C1=CC=C2C(=C1)C=CC(=C2/C=N/NC(=O)C3=CC=NC=C3)O,"InChI=1S/C17H13N3O2/c21-16-6-5-12-3-1-2-4-14(12)15(16)11-19-20-17(22)13-7-9-18-10-8-13/h1-11,21H,(H,20,22)/b19-11+",WQSHHAVECQJKLX-YBFXNURJSA-N,C17H13N3O2,291.3,291.1007767,2.7,74.6,407,0,2,4,3,22,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetophenone, 2-(triphenylphosphoranylidene)-",859-65-4,70073,1-phenyl-2-(triphenyl-lambda5-phosphanylidene)ethanone,C1=CC=C(C=C1)C(=O)C=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4,"InChI=1S/C26H21OP/c27-26(22-13-5-1-6-14-22)21-28(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-21H",MZRSAJZDYIISJW-UHFFFAOYSA-N,C26H21OP,380.4,380.1330023,5.2,17.1,488,0,0,1,5,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"as-Triazine, 3-amino-5-phenyl-",942-60-9,97081,"5-phenyl-1,2,4-triazin-3-amine",C1=CC=C(C=C1)C2=CN=NC(=N2)N,"InChI=1S/C9H8N4/c10-9-12-8(6-11-13-9)7-4-2-1-3-5-7/h1-6H,(H2,10,12,13)",IJXBFQUBVHTXGX-UHFFFAOYSA-N,C9H8N4,172.19,172.0748963,0.5,64.7,156,0,1,4,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenoxathiin, 10,10-dioxide",950-47-0,70369,"phenoxathiine 10,10-dioxide",C1=CC=C2C(=C1)OC3=CC=CC=C3S2(=O)=O,InChI=1S/C12H8O3S/c13-16(14)11-7-3-1-5-9(11)15-10-6-2-4-8-12(10)16/h1-8H,XJLRCPYQIPAQCA-UHFFFAOYSA-N,C12H8O3S,232.26,232.0194153,2.3,51.8,329,0,0,3,0,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pregna-4,6-diene-21-carboxylic acid, 17-hydroxy-3-oxo-, gamma-lactone, (17-alpha)-",976-71-6,13789,"(8R,9S,10R,13S,14S,17R)-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione",C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C,"InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17+,18+,20+,21+,22-/m1/s1",UJVLDDZCTMKXJK-WNHSNXHDSA-N,C22H28O3,340.5,340.2038448,2.7,43.4,719,0,0,3,0,25,,,0,1,1,0,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"Methanone, diphenyl-, (diphenylmethylene)hydrazone",983-79-9,101221,"N-(benzhydrylideneamino)-1,1-diphenylmethanimine",C1=CC=C(C=C1)C(=NN=C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4,InChI=1S/C26H20N2/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)27-28-26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H,VQSIVLYYQQCXAF-UHFFFAOYSA-N,C26H20N2,360.4,360.1626486,7.1,24.7,423,0,0,2,5,28,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5H-Pyrido(3,2-a)phenoxazine-3-carboxylic acid, 1-hydroxy-5-oxo-",1043-21-6,4846,"1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid",C1=CC=C2C(=C1)N=C3C(=CC(=O)C4=C3C(=O)C=C(N4)C(=O)O)O2,"InChI=1S/C16H8N2O5/c19-9-5-8(16(21)22)18-14-10(20)6-12-15(13(9)14)17-7-3-1-2-4-11(7)23-12/h1-6H,(H,18,19)(H,21,22)",OKPNYGAWTYOBFZ-UHFFFAOYSA-N,C16H8N2O5,308.24,308.0433214,1.3,105,771,0,2,7,1,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,2':5',2''-Terthiophene",1081-34-1,65067,"2,5-dithiophen-2-ylthiophene",C1=CSC(=C1)C2=CC=C(S2)C3=CC=CS3,InChI=1S/C12H8S3/c1-3-9(13-7-1)11-5-6-12(15-11)10-4-2-8-14-10/h1-8H,KXSFECAJUBPPFE-UHFFFAOYSA-N,C12H8S3,248.4,247.9788138,4.4,84.7,197,0,0,3,2,15,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzo(e)thieno(2,3-b)thiepin, 4,9-dihydro-4-(3-dimethylaminopropylidene)-, hydrochloride",1154-12-7,70858,"N,N-dimethyl-3-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine;hydrochloride",CN(C)CCC=C1C2=C(SCC3=CC=CC=C31)SC=C2.Cl,"InChI=1S/C17H19NS2.ClH/c1-18(2)10-5-8-15-14-7-4-3-6-13(14)12-20-17-16(15)9-11-19-17;/h3-4,6-9,11H,5,10,12H2,1-2H3;1H",KTFGSVWWMYCIJB-UHFFFAOYSA-N,C17H20ClNS2,337.9,337.0725697,,56.8,353,0,1,3,3,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"11H,13H-Oxireno(d)pyrano(4',3':3,3a)isobenzofuro(5,4-f)(2)benzopyran-4,6,13(2H,5aH)-trione, 8-(3-furanyl)decahydro-2,2,4a,8a-tetramethyl-, (2aR,4aR,4bR,5aS,8S,8aS,10aR,10bR,14aS)-",1180-71-8,179651,"(1R,2R,7S,10R,13R,14R,16S,19S,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,12,17-trione",C[C@@]12CC[C@H]3[C@]([C@@]14[C@H](O4)C(=O)O[C@H]2C5=COC=C5)(C(=O)C[C@@H]6[C@@]37COC(=O)C[C@@H]7OC6(C)C)C,"InChI=1S/C26H30O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-15,17,19-20H,5,7,9-10,12H2,1-4H3/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1",KBDSLGBFQAGHBE-MSGMIQHVSA-N,C26H30O8,470.5,470.1940679,1.8,105,1010,0,0,8,1,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3-Indolecarboxylaldehyde, azine",1233-49-4,135400613,(E)-1-(1H-indol-3-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]methanimine,C1=CC=C2NC=C(C2=C1)/C=N/N=C/C3=CNC4=CC=CC=C34,"InChI=1S/C18H14N4/c1-3-7-17-15(5-1)13(9-19-17)11-21-22-12-14-10-20-18-8-4-2-6-16(14)18/h1-12,19-20H/b21-11+,22-12+",OUAMYDYQMNKPLV-XHQRYOPUSA-N,C18H14N4,286.3,286.1218465,3.5,56.3,393,0,2,2,3,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Morpholine, N-trityl-",1420-06-0,14993,4-tritylmorpholine,C1COCCN1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4,"InChI=1S/C23H23NO/c1-4-10-20(11-5-1)23(21-12-6-2-7-13-21,22-14-8-3-9-15-22)24-16-18-25-19-17-24/h1-15H,16-19H2",ZJMLMBICUVVJDX-UHFFFAOYSA-N,C23H23NO,329.4,329.1779644,4.6,12.5,339,0,0,2,4,25,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ketone, 9-anthracenyl phenyl",1564-53-0,97037,anthracen-9-yl(phenyl)methanone,C1=CC=C(C=C1)C(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42,InChI=1S/C21H14O/c22-21(15-8-2-1-3-9-15)20-18-12-6-4-10-16(18)14-17-11-5-7-13-19(17)20/h1-14H,YBIBFEHHOULQKH-UHFFFAOYSA-N,C21H14O,282.3,282.1044651,5.8,17.1,373,0,0,1,2,22,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"11H-Dibenz(b,e)azepine, 6-(4-methyl-1-piperazinyl)-",11/3/77,16106,6-(4-methylpiperazin-1-yl)-11H-benzo[c][1]benzazepine,CN1CCN(CC1)C2=NC3=CC=CC=C3CC4=CC=CC=C42,"InChI=1S/C19H21N3/c1-21-10-12-22(13-11-21)19-17-8-4-2-6-15(17)14-16-7-3-5-9-18(16)20-19/h2-9H,10-14H2,1H3",PWRPUAKXMQAFCJ-UHFFFAOYSA-N,C19H21N3,291.4,291.1735477,2.8,18.8,411,0,0,2,1,22,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"Phenazine, 2,10-dihydro-3-(p-chloroanilino)-10-(p-chlorophenyl)-2-(isopropylimino)-",2030-63-9,2794,"N,5-bis(4-chlorophenyl)-3-propan-2-yliminophenazin-2-amine",CC(C)N=C1C=C2C(=NC3=CC=CC=C3N2C4=CC=C(C=C4)Cl)C=C1NC5=CC=C(C=C5)Cl,"InChI=1S/C27H22Cl2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-11-7-18(28)8-12-20)32-22-5-3-4-6-26(22)33(27)21-13-9-19(29)10-14-21/h3-17,31H,1-2H3",WDQPAMHFFCXSNU-UHFFFAOYSA-N,C27H22Cl2N4,473.4,472.1221521,7.1,40,829,0,1,4,4,33,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride",2056-18-0,16337,(2-chlorophenyl)methyl-[2-[(2-chlorophenyl)methylazaniumyl]ethyl]azanium dichloride,C1=CC=C(C(=C1)C[NH2+]CC[NH2+]CC2=CC=CC=C2Cl)Cl.[Cl-].[Cl-],"InChI=1S/C16H18Cl2N2.2ClH/c17-15-7-3-1-5-13(15)11-19-9-10-20-12-14-6-2-4-8-16(14)18;;/h1-8,19-20H,9-12H2;2*1H",RRZXPUXXMBILMU-UHFFFAOYSA-N,C16H20Cl4N2,382.1,382.035109,,33.2,237,0,2,2,7,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H-1,2,4-Benzothiadiazine-7-sulfonamide, 3,4-dihydro-6-chloro-3-(5-norbornen-2-yl)-,1,1-dioxide",2259-96-3,2910,"3-(2-bicyclo[2.2.1]hept-5-enyl)-6-chloro-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide",C1C2CC(C1C=C2)C3NC4=CC(=C(C=C4S(=O)(=O)N3)S(=O)(=O)N)Cl,"InChI=1S/C14H16ClN3O4S2/c15-10-5-11-13(6-12(10)23(16,19)20)24(21,22)18-14(17-11)9-4-7-1-2-8(9)3-7/h1-2,5-9,14,17-18H,3-4H2,(H2,16,19,20)",BOCUKUHCLICSIY-UHFFFAOYSA-N,C14H16ClN3O4S2,389.9,389.027076,2,135,758,0,3,7,2,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-1,3,7,9-tetramethyl-",2309-49-1,75324,"1,3,7,9-tetramethylpurine-2,6,8-trione",CN1C2=C(N(C1=O)C)N(C(=O)N(C2=O)C)C,InChI=1S/C9H12N4O3/c1-10-5-6(11(2)8(10)15)12(3)9(16)13(4)7(5)14/h1-4H3,QGDOQULISIQFHQ-UHFFFAOYSA-N,C9H12N4O3,224.22,224.0909403,-0.2,64.2,442,0,0,3,0,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"16H-Dinaphtho(2,3-a:2',3'-i)carbazole-5,10,15,17-tetraone, 6,9-dibenzamido-",2379-81-9,61305,"N-(28-benzamido-6,13,19,26-tetraoxo-16-azaheptacyclo[15.12.0.02,15.05,14.07,12.018,27.020,25]nonacosa-1(29),2,4,7,9,11,14,17,20,22,24,27-dodecaen-4-yl)benzamide",C1=CC=C(C=C1)C(=O)NC2=C3C(=C4C(=C2)C5=CC(=C6C(=C5N4)C(=O)C7=CC=CC=C7C6=O)NC(=O)C8=CC=CC=C8)C(=O)C9=CC=CC=C9C3=O,"InChI=1S/C42H23N3O6/c46-37-23-15-7-9-17-25(23)39(48)33-31(37)29(43-41(50)21-11-3-1-4-12-21)19-27-28-20-30(44-42(51)22-13-5-2-6-14-22)32-34(36(28)45-35(27)33)40(49)26-18-10-8-16-24(26)38(32)47/h1-20,45H,(H,43,50)(H,44,51)",OXEFCDNMUKTKDV-UHFFFAOYSA-N,C42H23N3O6,665.6,665.1586855,8.1,142,1340,0,3,6,4,51,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Boric acid, tribenzyl ester",2467-18-7,17179,tribenzyl borate,B(OCC1=CC=CC=C1)(OCC2=CC=CC=C2)OCC3=CC=CC=C3,"InChI=1S/C21H21BO3/c1-4-10-19(11-5-1)16-23-22(24-17-20-12-6-2-7-13-20)25-18-21-14-8-3-9-15-21/h1-15H,16-18H2",IJJNTMLAAKKCML-UHFFFAOYSA-N,C21H21BO3,332.2,332.1583747,,27.7,282,0,0,3,9,25,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-1,3-Thiazin-2-amine, 5,6-dihydro-, monohydrobromide",2799-75-9,200835,"5,6-dihydro-4H-1,3-thiazin-2-amine;hydrobromide",C1CN=C(SC1)N.Br,"InChI=1S/C4H8N2S.BrH/c5-4-6-2-1-3-7-4;/h1-3H2,(H2,5,6);1H",ILHMCGSSFGDTSN-UHFFFAOYSA-N,C4H9BrN2S,197.1,195.96698,,63.7,89,0,2,2,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrazine, 2-methyl-3-piperidino-, sulfate (1:1)",2856-75-9,17859,2-methyl-3-piperidin-1-ylpyrazine;sulfuric acid,CC1=NC=CN=C1N2CCCCC2.OS(=O)(=O)O,"InChI=1S/C10H15N3.H2O4S/c1-9-10(12-6-5-11-9)13-7-3-2-4-8-13;1-5(2,3)4/h5-6H,2-4,7-8H2,1H3;(H2,1,2,3,4)",GJXZNORUUOVBKP-UHFFFAOYSA-N,C10H17N3O4S,275.33,275.0939772,,112,236,0,2,7,1,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoxazole, 4,5,6,7-tetrahydro-2-amino-",2933-42-8,200918,"4,5,6,7-tetrahydro-1,3-benzoxazol-2-amine",C1CCC2=C(C1)N=C(O2)N,"InChI=1S/C7H10N2O/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H2,(H2,8,9)",WHPXIOARQDHUIK-UHFFFAOYSA-N,C7H10N2O,138.17,138.0793129,1.1,52.1,129,0,1,3,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperidine, 1-(1-cyclohexen-1-yl)-",10/4/81,18118,1-(cyclohexen-1-yl)piperidine,C1CCN(CC1)C2=CCCCC2,"InChI=1S/C11H19N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h7H,1-6,8-10H2",KPVMGWQGPJULFL-UHFFFAOYSA-N,C11H19N,165.27,165.1517496,3,3.2,166,0,0,1,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
Malformin A,3022-92-2,4005,"4-butan-2-yl-7-(2-methylpropyl)-10-propan-2-yl-15,16-dithia-2,5,8,11,19-pentazabicyclo[11.4.2]nonadecane-3,6,9,12,18-pentone",CCC(C)C1C(=O)NC2CSSCC(C(=O)NC(C(=O)NC(C(=O)N1)CC(C)C)C(C)C)NC2=O,"InChI=1S/C23H39N5O5S2/c1-7-13(6)18-23(33)26-15-9-34-35-10-16(25-20(15)30)21(31)27-17(12(4)5)22(32)24-14(8-11(2)3)19(29)28-18/h11-18H,7-10H2,1-6H3,(H,24,32)(H,25,30)(H,26,33)(H,27,31)(H,28,29)",RNCGDQLZIATDOU-UHFFFAOYSA-N,C23H39N5O5S2,529.7,529.2392617,2.1,196,809,0,5,7,5,35,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Oxirane, 2,2'-(2,2-bis((oxiranylmethoxy)methyl)-1,3-propanediylbis(oxymethylene))bis-",3126-63-4,76579,"2-[[3-(oxiran-2-ylmethoxy)-2,2-bis(oxiran-2-ylmethoxymethyl)propoxy]methyl]oxirane",C1C(O1)COCC(COCC2CO2)(COCC3CO3)COCC4CO4,"InChI=1S/C17H28O8/c1(13-5-22-13)18-9-17(10-19-2-14-6-23-14,11-20-3-15-7-24-15)12-21-4-16-8-25-16/h13-16H,1-12H2",PLDLPVSQYMQDBL-UHFFFAOYSA-N,C17H28O8,360.4,360.1784179,-1.5,87,342,0,0,8,16,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"Eudesm-2-en-12-oic acid, 4,6-alpha-dihydroxy-1-oxo-, gamma-lactone, (11S)-",3162-56-9,94253,"(3S,3aS,5aR,9R,9aS,9bS)-9-hydroxy-3,5a,9-trimethyl-3,3a,4,5,9a,9b-hexahydrobenzo[g][1]benzofuran-2,6-dione",C[C@H]1[C@@H]2CC[C@@]3([C@@H]([C@H]2OC1=O)[C@](C=CC3=O)(C)O)C,"InChI=1S/C15H20O4/c1-8-9-4-6-14(2)10(16)5-7-15(3,18)12(14)11(9)19-13(8)17/h5,7-9,11-12,18H,4,6H2,1-3H3/t8-,9-,11-,12+,14-,15+/m0/s1",NGPDZEACIWDCKX-WUDKWMPASA-N,C15H20O4,264.32,264.1361591,1.2,63.6,483,0,1,4,0,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,9-Diazabicyclo(3.3.1)nonane, 9-methyl-, dihydrochloride",3431-07-0,18910,"9-methyl-3,9-diazabicyclo[3.3.1]nonane;dihydrochloride",CN1C2CCCC1CNC2.Cl.Cl,"InChI=1S/C8H16N2.2ClH/c1-10-7-3-2-4-8(10)6-9-5-7;;/h7-9H,2-6H2,1H3;2*1H",KJLUHXBQTQMMOX-UHFFFAOYSA-N,C8H18Cl2N2,213.15,212.084704,,15.3,112,0,3,2,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-Pyrazolidinedione, 1,2-diphenyl-4-(2-(phenylthio)ethyl)-",3736-92-3,77327,"1,2-diphenyl-4-(2-phenylsulfanylethyl)pyrazolidine-3,5-dione",C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCSC4=CC=CC=C4,"InChI=1S/C23H20N2O2S/c26-22-21(16-17-28-20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2",PLGXGMUJUXKCDD-UHFFFAOYSA-N,C23H20N2O2S,388.5,388.1245491,3.7,65.9,501,0,0,3,6,28,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Tricyclo(4.4.0.0(sup 2,7))dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, (1R,2S,6S,7S,8S)-",3856-25-5,12303902,"(1R,2S,6S,7S,8S)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene",CC1=CC[C@H]2[C@H]3[C@@H]1[C@@]2(CC[C@H]3C(C)C)C,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12-,13-,14+,15+/m0/s1",VLXDPFLIRFYIME-BTFPBAQTSA-N,C15H24,204.35,204.1878008,4.5,0,312,0,0,0,1,15,,,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"Benzyl alcohol, alpha,alpha'-(hexamethylenebis(iminomethylene))bis(3,4-dihydroxy-,dihydrochloride",4323-43-7,20321,"[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-[6-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]azaniumyl]hexyl]azanium dichloride",C1=CC(=C(C=C1C(C[NH2+]CCCCCC[NH2+]CC(C2=CC(=C(C=C2)O)O)O)O)O)O.[Cl-].[Cl-],"InChI=1S/C22H32N2O6.2ClH/c25-17-7-5-15(11-19(17)27)21(29)13-23-9-3-1-2-4-10-24-14-22(30)16-6-8-18(26)20(28)12-16;;/h5-8,11-12,21-30H,1-4,9-10,13-14H2;2*1H",LECFJMMCVCBLPN-UHFFFAOYSA-N,C22H34Cl2N2O6,493.4,492.1793922,,155,417,0,8,8,13,32,,,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenothiazine, 10-(3-(dimethylamino)-2-methylpropyl)-, tartrate (2:1)",4330-99-8,441236,"(2R,3R)-2,3-dihydroxybutanedioic acid;bis(N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine)",CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C.CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,"InChI=1S/2C18H22N2S.C4H6O6/c2*1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20;5-1(3(7)8)2(6)4(9)10/h2*4-11,14H,12-13H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1",AJZJIYUOOJLBAU-CEAXSRTFSA-N,C40H50N4O6S2,747,746.3171777,,179,445,0,4,12,11,52,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"Pyrrole-2-carboxylic acid, 5-methyl-, diester with 3,3'-((3-methylpyrrole-2,4-diyl)bis(carbonylimino))bis(7-((5,5-di-C-methyl-4-O-methyl-alpha-L-lyxopyranosyl)oxy)-4-hydroxy-8-methylcoumarin)",5/3/34,54675768,"[(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[[5-[[4-hydroxy-7-[(2R,3R,4S,5R)-3-hydroxy-5-methoxy-6,6-dimethyl-4-(5-methyl-1H-pyrrole-2-carbonyl)oxyoxan-2-yl]oxy-8-methyl-2-oxochromen-3-yl]carbamoyl]-4-methyl-1H-pyrrole-3-carbonyl]amino]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] 5-methyl-1H-pyrrole-2-carboxylate",CC1=CC=C(N1)C(=O)O[C@H]2[C@H]([C@@H](OC([C@@H]2OC)(C)C)OC3=C(C4=C(C=C3)C(=C(C(=O)O4)NC(=O)C5=CNC(=C5C)C(=O)NC6=C(C7=C(C(=C(C=C7)O[C@H]8[C@@H]([C@@H]([C@H](C(O8)(C)C)OC)OC(=O)C9=CC=C(N9)C)O)C)OC6=O)O)O)C)O,"InChI=1S/C55H59N5O20/c1-21-12-16-29(57-21)48(67)77-42-38(63)52(79-54(6,7)44(42)71-10)73-31-18-14-26-36(61)34(50(69)75-40(26)24(31)4)59-46(65)28-20-56-33(23(28)3)47(66)60-35-37(62)27-15-19-32(25(5)41(27)76-51(35)70)74-53-39(64)43(45(72-11)55(8,9)80-53)78-49(68)30-17-13-22(2)58-30/h12-20,38-39,42-45,52-53,56-58,61-64H,1-11H3,(H,59,65)(H,60,66)/t38-,39-,42+,43+,44-,45-,52-,53-/m1/s1",WTIJXIZOODAMJT-DHFGXMAYSA-N,C55H59N5O20,1110.1,1109.375339,4.6,347,2440,0,9,20,16,80,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Dibenz(b,e)oxepin-11-ol, 6,11-dihydro-11-(3-dimethylaminopropyl)-",4504-88-5,20593,11-[3-(dimethylamino)propyl]-6H-benzo[c][1]benzoxepin-11-ol,CN(C)CCCC1(C2=CC=CC=C2COC3=CC=CC=C31)O,"InChI=1S/C19H23NO2/c1-20(2)13-7-12-19(21)16-9-4-3-8-15(16)14-22-18-11-6-5-10-17(18)19/h3-6,8-11,21H,7,12-14H2,1-2H3",ZEKLFUWSVQYTOO-UHFFFAOYSA-N,C19H23NO2,297.4,297.172879,2.8,32.7,359,0,1,3,4,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ophiobola-7,19-dien-25-al, 14,18-epoxy-3-hydroxy-5-oxo-, (18R)-",5/6/11,5281387,"(1'R,2S,3S,3'S,4'R,5R,7'S,8'E,11'R)-4'-hydroxy-1',3,4'-trimethyl-5-(2-methylprop-1-enyl)-6'-oxospiro[oxolane-2,12'-tricyclo[9.3.0.03,7]tetradec-8-ene]-8'-carbaldehyde",C[C@H]1C[C@@H](O[C@@]12CC[C@]3([C@H]2C/C=C(\[C@@H]4[C@H](C3)[C@](CC4=O)(C)O)/C=O)C)C=C(C)C,"InChI=1S/C25H36O4/c1-15(2)10-18-11-16(3)25(29-18)9-8-23(4)12-19-22(20(27)13-24(19,5)28)17(14-26)6-7-21(23)25/h6,10,14,16,18-19,21-22,28H,7-9,11-13H2,1-5H3/b17-6-/t16-,18-,19-,21+,22+,23+,24+,25-/m0/s1",MWYYLZRWWNBROW-BDZRSQQBSA-N,C25H36O4,400.5,400.2613596,3.5,63.6,778,0,1,4,2,29,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane-4-methanol, 1-oxide",5301-78-0,199942,"(1-oxo-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octan-4-yl)methanol",C1C2(COP(=O)(O1)OC2)CO,"InChI=1S/C5H9O5P/c6-1-5-2-8-11(7,9-3-5)10-4-5/h6H,1-4H2",YASRHLDAFCMIPB-UHFFFAOYSA-N,C5H9O5P,180.1,180.0187604,-1.5,65,184,0,1,5,1,11,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,4-Thiadiazole-2-thiol, 5-phenyl-",5585-19-3,3035373,"5-phenyl-3H-1,3,4-thiadiazole-2-thione",C1=CC=C(C=C1)C2=NNC(=S)S2,"InChI=1S/C8H6N2S2/c11-8-10-9-7(12-8)6-4-2-1-3-5-6/h1-5H,(H,10,11)",ZTLMHGOWADYAHM-UHFFFAOYSA-N,C8H6N2S2,194.3,193.9972406,2.6,81.8,219,0,1,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Isoquinoline, 3,4-dihydro-6,7-dimethoxy-1-veratryl-, hydrochloride",5884-22-0,12317241,"1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline;hydrochloride",COC1=C(C=C(C=C1)CC2=NCCC3=CC(=C(C=C32)OC)OC)OC.Cl,"InChI=1S/C20H23NO4.ClH/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;/h5-6,10-12H,7-9H2,1-4H3;1H",LRUSBWIBSILYNE-UHFFFAOYSA-N,C20H24ClNO4,377.9,377.1393859,,49.3,455,0,1,5,6,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"(2,2'-Biindan)-1,1'-dione, 2,2',3,3,3',3'-hexahydroxy-",5950-69-6,22232,"2,3,3-trihydroxy-2-(1,1,2-trihydroxy-3-oxoinden-2-yl)inden-1-one",C1=CC=C2C(=C1)C(=O)C(C2(O)O)(C3(C(=O)C4=CC=CC=C4C3(O)O)O)O,"InChI=1S/C18H14O8/c19-13-9-5-1-3-7-11(9)17(23,24)15(13,21)16(22)14(20)10-6-2-4-8-12(10)18(16,25)26/h1-8,21-26H",QHVADKNWNMILPQ-UHFFFAOYSA-N,C18H14O8,358.3,358.0688674,-2.1,156,602,0,6,8,1,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carboxylic acid, 2-(2-piperidinoethoxy)ethyl ester,monohydrochloride",11/7/56,22424,"2-(2-piperidin-1-ylethoxy)ethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate;hydrochloride",C1CCN(CC1)CCOCCOC(=O)N2C3=CC=CC=C3SC4=C2N=CC=C4.Cl,"InChI=1S/C21H25N3O3S.ClH/c25-21(27-16-15-26-14-13-23-11-4-1-5-12-23)24-17-7-2-3-8-18(17)28-19-9-6-10-22-20(19)24;/h2-3,6-10H,1,4-5,11-16H2;1H",FEUBUXUFKHXRKO-UHFFFAOYSA-N,C21H26ClN3O3S,436,435.1383406,,80.2,503,0,1,6,7,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"Benzo(c)cinnoline, 5-oxide",6141-98-6,72826,5-oxidobenzo[c]cinnolin-5-ium,C1=CC=C2C(=C1)C3=CC=CC=C3[N+](=N2)[O-],InChI=1S/C12H8N2O/c15-14-12-8-4-2-6-10(12)9-5-1-3-7-11(9)13-14/h1-8H,JFIBBBQSFGWTPH-UHFFFAOYSA-N,C12H8N2O,196.2,196.0636629,2.2,38.4,234,0,0,2,0,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Morpholine, 4-cyclohexyl-",6425-41-8,22938,4-cyclohexylmorpholine,C1CCC(CC1)N2CCOCC2,"InChI=1S/C10H19NO/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h10H,1-9H2",BRKHZWFIIVVNTA-UHFFFAOYSA-N,C10H19NO,169.26,169.1466642,1.7,12.5,126,0,0,2,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Sophocarpine,6483-15-4,115269,"(1R,2R,9S,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one",C1C[C@H]2CN3[C@H](CC=CC3=O)[C@@H]4[C@H]2N(C1)CCC4,"InChI=1S/C15H22N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h1,7,11-13,15H,2-6,8-10H2/t11-,12+,13+,15-/m0/s1",AAGFPTSOPGCENQ-JLNYLFASSA-N,C15H22N2O,246.35,246.1732133,1.7,23.6,392,0,0,2,0,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Butanedioic acid, 2,3-bis((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-, (2R,3R)-",6537-80-0,5281764,"(2R,3R)-2,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]butanedioic acid",C1=CC(=C(C=C1/C=C/C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)/C=C/C2=CC(=C(C=C2)O)O)C(=O)O)O)O,"InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m1/s1",YDDGKXBLOXEEMN-IABMMNSOSA-N,C22H18O12,474.4,474.079826,2,208,740,0,6,12,11,34,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
Jacobine,6870-67-3,442741,"(1R,3'S,4S,6R,7R,17R)-7-hydroxy-3',6,7-trimethylspiro[2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-4,2'-oxirane]-3,8-dione",C[C@@H]1C[C@]2([C@@H](O2)C)C(=O)O[C@@H]3CCN4[C@@H]3C(=CC4)COC(=O)[C@]1(C)O,"InChI=1S/C18H25NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3/t10-,11+,13-,14-,17-,18+/m1/s1",IAPHXJRHXBQDQJ-WKMWQDDRSA-N,C18H25NO6,351.4,351.1681875,0.3,88.6,647,0,1,7,0,25,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,5-Cyclohexadien-1-one, 4-benzylidene-2,6-di-tert-butyl-",7078-98-0,160881,"4-benzylidene-2,6-ditert-butylcyclohexa-2,5-dien-1-one",CC(C)(C)C1=CC(=CC2=CC=CC=C2)C=C(C1=O)C(C)(C)C,"InChI=1S/C21H26O/c1-20(2,3)17-13-16(12-15-10-8-7-9-11-15)14-18(19(17)22)21(4,5)6/h7-14H,1-6H3",HCUWXYBKPSKTAB-UHFFFAOYSA-N,C21H26O,294.4,294.1983654,6.1,17.1,487,0,0,1,3,22,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-Azepinethione, hexahydro-, (Z)-",7203-96-5,3003736,azepane-2-thione,C1CCC(=S)NCC1,"InChI=1S/C6H11NS/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)",APLHDUWNMGJBFD-UHFFFAOYSA-N,C6H11NS,129.23,129.0612205,0.8,44.1,90,0,1,1,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propyn-1-one, 1,3-diphenyl-",7338-94-5,97637,"1,3-diphenylprop-2-yn-1-one",C1=CC=C(C=C1)C#CC(=O)C2=CC=CC=C2,InChI=1S/C15H10O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10H,YECVQOULKHBGEN-UHFFFAOYSA-N,C15H10O,206.24,206.0731649,3.9,17.1,292,0,0,1,2,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphine, tris(phenylmethyl)-",7650-89-7,82101,tribenzylphosphane,C1=CC=C(C=C1)CP(CC2=CC=CC=C2)CC3=CC=CC=C3,"InChI=1S/C21H21P/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2",IFXORIIYQORRMJ-UHFFFAOYSA-N,C21H21P,304.4,304.1380877,4.4,0,235,0,0,0,6,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hydrazine, 1-benzoyl-2-(alpha-methylbenzyl)-",3/7/54,71671,N'-(1-phenylethyl)benzohydrazide,CC(C1=CC=CC=C1)NNC(=O)C2=CC=CC=C2,"InChI=1S/C15H16N2O/c1-12(13-8-4-2-5-9-13)16-17-15(18)14-10-6-3-7-11-14/h2-12,16H,1H3,(H,17,18)",BEWNZPMDJIGBED-UHFFFAOYSA-N,C15H16N2O,240.3,240.1262631,2.9,41.1,255,0,2,2,4,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"6H-Purin-6-one, 2-amino-1,9-dihydro-9-((4aR,6R,7R,7aS)-tetrahydro-2,7-dihydroxy-2-oxido-4H-furo(3,2-d)-1,3,2-dioxaphosphorin-6-yl)-",7665-99-8,135398570,"9-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-amino-1H-purin-6-one",C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=C(NC4=O)N)O)OP(=O)(O1)O,"InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1",ZOOGRGPOEVQQDX-UUOKFMHZSA-N,C10H12N5O7P,345.21,345.0474347,-3.4,171,616,0,4,9,1,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzene, 1,3,5-tris((2-ethyl-aziridinyl)-carbonyl)-",7722-73-8,95966,"[3,5-bis(2-ethylaziridine-1-carbonyl)phenyl]-(2-ethylaziridin-1-yl)methanone",CCC1CN1C(=O)C2=CC(=CC(=C2)C(=O)N3CC3CC)C(=O)N4CC4CC,"InChI=1S/C21H27N3O3/c1-4-16-10-22(16)19(25)13-7-14(20(26)23-11-17(23)5-2)9-15(8-13)21(27)24-12-18(24)6-3/h7-9,16-18H,4-6,10-12H2,1-3H3",WTGFSHHTVSYGMF-UHFFFAOYSA-N,C21H27N3O3,369.5,369.2052417,2.5,60.2,539,0,0,3,6,27,,,0,1,1,1,1,1,1,0,1,0,1,0,0,1,0,0,1,0,0,0
"1-Piperazineethanol, 4-(3-(2-chlorophenothiazin-10-yl)propyl)-, sulfoxide",10078-25-8,82341,2-[4-[3-(2-chloro-5-oxophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol,C1CN(CCN1CCCN2C3=CC=CC=C3S(=O)C4=C2C=C(C=C4)Cl)CCO,"InChI=1S/C21H26ClN3O2S/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)28(21)27)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2",WXJXTMQMAOYROI-UHFFFAOYSA-N,C21H26ClN3O2S,420,419.1434259,2.9,77,532,0,1,5,6,28,,,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"Acetamide, N-cyclohexyl-2-phenyl-",10264-08-1,82500,N-cyclohexyl-2-phenylacetamide,C1CCC(CC1)NC(=O)CC2=CC=CC=C2,"InChI=1S/C14H19NO/c16-14(11-12-7-3-1-4-8-12)15-13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,15,16)",ZFEBPJQSSNUJGT-UHFFFAOYSA-N,C14H19NO,217.31,217.1466642,2.9,29.1,215,0,1,1,3,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Peroxysulfuric acid, potassium salt",10361-76-9,160937,"dipotassium;5,5-dioxidotetraoxathiolane",[O-]S1(OOOO1)[O-].[K+].[K+],InChI=1S/2K.H2O6S/c;;1-7(2)5-3-4-6-7/h;;1-2H/q2*+1;/p-2,JURIMTFNETVUBH-UHFFFAOYSA-L,K2O6S,206.26,205.8689719,,84,58,0,0,7,0,9,,,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0
Streptolysin O,11100-05-3,11099938,dimethyl(diphenyl)phosphanium iodide,C[P+](C)(C1=CC=CC=C1)C2=CC=CC=C2.[I-],"InChI=1S/C14H16P.HI/c1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;/h3-12H,1-2H3;1H/q+1;/p-1",MGLUUYLPGOWCNW-UHFFFAOYSA-M,C14H16IP,342.15,342.00344,,0,166,0,0,1,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,5-Diazabicyclo(3.2.1)octane, 8-(4-pyridyl)-",13022-80-5,96625,"8-pyridin-4-yl-1,5-diazabicyclo[3.2.1]octane",C1CN2CCN(C1)C2C3=CC=NC=C3,"InChI=1S/C11H15N3/c1-6-13-8-9-14(7-1)11(13)10-2-4-12-5-3-10/h2-5,11H,1,6-9H2",JIKHJTHQLORZIX-UHFFFAOYSA-N,C11H15N3,189.26,189.1265975,0.8,19.4,189,0,0,3,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Pyridinecarboxamide, N-(4-oxo-2-thioxo-3-thiazolidinyl)-",13097-08-0,202691,"N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pyridine-4-carboxamide",C1C(=O)N(C(=S)S1)NC(=O)C2=CC=NC=C2,"InChI=1S/C9H7N3O2S2/c13-7-5-16-9(15)12(7)11-8(14)6-1-3-10-4-2-6/h1-4H,5H2,(H,11,14)",PJRSYKJVEBWMKO-UHFFFAOYSA-N,C9H7N3O2S2,253.3,252.9979688,1,120,329,0,1,5,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Quinoline, 1,2,3,4-tetrahydro-1-cinnamoyl-",13262-31-2,728718,"(E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylprop-2-en-1-one",C1CC2=CC=CC=C2N(C1)C(=O)/C=C/C3=CC=CC=C3,"InChI=1S/C18H17NO/c20-18(13-12-15-7-2-1-3-8-15)19-14-6-10-16-9-4-5-11-17(16)19/h1-5,7-9,11-13H,6,10,14H2/b13-12+",SFOVHKYYGVAXCU-OUKQBFOZSA-N,C18H17NO,263.3,263.1310142,3.8,20.3,356,0,0,1,2,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"s-Triazolo(1,5-a)pyrimidin-7-ol, 5-phenyl-",13322-69-5,202792,"5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one",C1=CC=C(C=C1)C2=CC(=O)N3C(=N2)N=CN3,"InChI=1S/C11H8N4O/c16-10-6-9(8-4-2-1-3-5-8)14-11-12-7-13-15(10)11/h1-7H,(H,12,13,14)",KUHLBQOXSMEIHP-UHFFFAOYSA-N,C11H8N4O,212.21,212.0698109,0.8,57.1,404,0,1,2,1,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclopropylamine, 2-phenyl-, sulfate, trans-(+-)-, (2:1)",13492-01-8,11473982,"sulfuric acid;bis(trans-(1S,2R)-2-phenylcyclopropan-1-amine)",C1[C@@H]([C@H]1N)C2=CC=CC=C2.C1[C@@H]([C@H]1N)C2=CC=CC=C2.OS(=O)(=O)O,"InChI=1S/2C9H11N.H2O4S/c2*10-9-6-8(9)7-4-2-1-3-5-7;1-5(2,3)4/h2*1-5,8-9H,6,10H2;(H2,1,2,3,4)/t2*8-,9+;/m11./s1",BKPRVQDIOGQWTG-KAVFMPKWSA-N,C18H24N2O4S,364.5,364.1456784,,135,197,0,4,6,2,25,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-2,6-Dioxacyclopent(cd)inden-1-one, 4-((acetyloxy)methyl)-5-(beta-D-glucopyranosyloxy)-2a,4a,5,7b-tetrahydro-, (2aS,4aS,5S,7bS)-",14259-45-1,84298,"[(4S,7S,8S,11S)-2-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undeca-1(10),5-dien-6-yl]methyl acetate",CC(=O)OCC1=C[C@H]2[C@H]3[C@@H]1[C@@H](OC=C3C(=O)O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,"InChI=1S/C18H22O11/c1-6(20)25-4-7-2-9-12-8(16(24)27-9)5-26-17(11(7)12)29-18-15(23)14(22)13(21)10(3-19)28-18/h2,5,9-15,17-19,21-23H,3-4H2,1H3/t9-,10+,11+,12-,13+,14-,15+,17-,18-/m0/s1",IBIPGYWNOBGEMH-DILZHRMZSA-N,C18H22O11,414.4,414.1162115,-2.4,161,746,0,4,11,6,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Rhodanine, 3,3'-ethylenedi-",14399-78-1,203434,"3-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one",C1C(=O)N(C(=S)S1)CCN2C(=O)CSC2=S,InChI=1S/C8H8N2O2S4/c11-5-3-15-7(13)9(5)1-2-10-6(12)4-16-8(10)14/h1-4H2,MMOVOMSMFLJLDS-UHFFFAOYSA-N,C8H8N2O2S4,292.4,291.9468622,1.5,155,348,0,0,6,3,16,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"2-Pyridinecarboxylic acid, chromium salt",14639-25-9,151932,chromium(3+);tris(pyridine-2-carboxylate),C1=CC=NC(=C1)C(=O)[O-].C1=CC=NC(=C1)C(=O)[O-].C1=CC=NC(=C1)C(=O)[O-].[Cr+3],"InChI=1S/3C6H5NO2.Cr/c3*8-6(9)5-3-1-2-4-7-5;/h3*1-4H,(H,8,9);/q;;;+3/p-3",CBDQOLKNTOMMTL-UHFFFAOYSA-K,C18H12CrN3O6,418.3,418.013115,,159,108,0,0,9,0,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,2-Dioxaborinane, 2,2'-oxybis(4,4,6-trimethyl-",14697-50-8,61764,"4,4,6-trimethyl-2-[(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)oxy]-1,3,2-dioxaborinane",B1(OC(CC(O1)(C)C)C)OB2OC(CC(O2)(C)C)C,"InChI=1S/C12H24B2O5/c1-9-7-11(3,4)17-13(15-9)19-14-16-10(2)8-12(5,6)18-14/h9-10H,7-8H2,1-6H3",KUZYYSNLEIAJQJ-UHFFFAOYSA-N,C12H24B2O5,269.9,270.1809842,,46.2,293,0,0,5,2,19,,,0,0,0,0,0,0,0,1,1,0,0,0,0,1,0,0,0,0,0,0
"Ammonium, (6-(diethylamino)-9-(o-((9-(diethylamino)-5H-benzo(a)phenoxazin-5-ylidene)carbamoyl)phenyl)-3H-xanthen-3-ylidene)diethyl-, chloride",14969-56-3,73372,"2-[3,6-bis(diethylamino)xanthen-10-ium-9-yl]-N-[9-(diethylamino)benzo[a]phenoxazin-5-ylidene]benzamide chloride",CCN(CC)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=NC(=O)C5=CC=CC=C5C6=C7C=CC(=CC7=[O+]C8=C6C=CC(=C8)N(CC)CC)N(CC)CC)C=C3O2.[Cl-],"InChI=1S/C48H48N5O3.ClH/c1-7-51(8-2)31-21-24-38-42(27-31)55-43-28-32(52(9-3)10-4)22-25-39(43)46(38)35-18-14-16-20-37(35)48(54)50-41-30-45-47(36-19-15-13-17-34(36)41)49-40-26-23-33(29-44(40)56-45)53(11-5)12-6;/h13-30H,7-12H2,1-6H3;1H/q+1;/p-1",UYQVPCFMVWEDCA-UHFFFAOYSA-M,C48H48ClN5O3,778.4,777.3445681,,61.7,1400,0,0,7,11,57,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,8-Naphthyridine-3-carboxylic acid, 1-ethyl-1,4-dihydro-4-oxo-7-(phenylmethyl)-",15180-02-6,2137,"7-benzyl-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid",CCN1C=C(C(=O)C2=C1N=C(C=C2)CC3=CC=CC=C3)C(=O)O,"InChI=1S/C18H16N2O3/c1-2-20-11-15(18(22)23)16(21)14-9-8-13(19-17(14)20)10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,22,23)",WHHHJDGNBVQNAU-UHFFFAOYSA-N,C18H16N2O3,308.3,308.1160924,3,70.5,496,0,1,5,4,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Nortoxiferinium, N,N'-diallyl-, dichloride",15180-03-7,21158559,"(2E)-2-[(1S,9Z,11S,13S,14R,17S,25Z,27S,30R,33S,35S,36S,38E)-38-(2-hydroxyethylidene)-14,30-bis(prop-2-enyl)-8,24-diaza-14,30-diazoniaundecacyclo[25.5.2.211,14.11,26.110,17.02,7.013,17.018,23.030,33.08,35.024,36]octatriaconta-2,4,6,9,18,20,22,25-octaen-28-ylidene]ethanol dichloride",C=CC[N@@+]12[C@@H]3[C@]4(C5=CC=CC=C5N/6[C@H]4/C(=C\N7[C@H]8/C(=C6)/[C@@H]9/C(=C\CO)/C[N@+]4([C@H]([C@]8(C5=CC=CC=C75)CC4)C9)CC=C)/[C@@H](C3)/C(=C\CO)/C1)CC2.[Cl-].[Cl-],"InChI=1S/C44H50N4O2.2ClH/c1-3-17-47-19-15-43-35-9-5-7-11-37(35)45-26-34-32-24-40-44(16-20-48(40,18-4-2)28-30(32)14-22-50)36-10-6-8-12-38(36)46(42(34)44)25-33(41(43)45)31(23-39(43)47)29(27-47)13-21-49;;/h3-14,25-26,31-32,39-42,49-50H,1-2,15-24,27-28H2;2*1H/q+2;;/p-2/b29-13-,30-14-,33-25-,34-26-;;/t31-,32-,39-,40-,41-,42-,43+,44+,47-,48-;;/m0../s1",CPYGBGOXCJJJGC-GKLGUMFISA-L,C44H50Cl2N4O2,737.8,736.3310822,,46.9,1510,0,2,6,6,52,,,0,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
"2H-Indol-2-one, 1,3-dihydro-1-(2,6-dichlorophenyl)-",15362-40-0,27211,"1-(2,6-dichlorophenyl)-3H-indol-2-one",C1C2=CC=CC=C2N(C1=O)C3=C(C=CC=C3Cl)Cl,"InChI=1S/C14H9Cl2NO/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(17)18/h1-7H,8H2",JCICIFOYVSPMHG-UHFFFAOYSA-N,C14H9Cl2NO,278.1,277.0061193,3.8,20.3,326,0,0,1,1,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-beta-Stigmast-7-en-26-oic acid, 2-beta,3-beta,14,20,22,28-hexahydroxy-6-oxo-, gamma-lactone, (22R,24S,25S,28R)-",17086-76-9,119444,"(3S,4S,5R)-4-[(2R,3R)-2,3-dihydroxy-3-[(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl]-3,5-dimethyloxolan-2-one",C[C@H]1[C@@H]([C@H](OC1=O)C)C[C@H]([C@@](C)([C@H]2CC[C@@]3([C@@]2(CC[C@H]4C3=CC(=O)[C@H]5[C@@]4(C[C@@H]([C@@H](C5)O)O)C)C)O)O)O,"InChI=1S/C29H44O8/c1-14-16(15(2)37-25(14)34)10-24(33)28(5,35)23-7-9-29(36)18-11-20(30)19-12-21(31)22(32)13-26(19,3)17(18)6-8-27(23,29)4/h11,14-17,19,21-24,31-33,35-36H,6-10,12-13H2,1-5H3/t14-,15+,16-,17-,19-,21+,22-,23-,24+,26+,27+,28+,29+/m0/s1",NEFYSBQJYCICOG-YSEUJXISSA-N,C29H44O8,520.7,520.3036184,1,145,1010,0,5,8,4,37,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Piperidine, 1-(3-(4-chlorophenyl)-1-oxo-2-propenyl)-",17123-82-9,692385,(E)-3-(4-chlorophenyl)-1-piperidin-1-ylprop-2-en-1-one,C1CCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)Cl,"InChI=1S/C14H16ClNO/c15-13-7-4-12(5-8-13)6-9-14(17)16-10-2-1-3-11-16/h4-9H,1-3,10-11H2/b9-6+",UCBCOMZMXLGOSD-RMKNXTFCSA-N,C14H16ClNO,249.73,249.0920418,3.4,20.3,276,0,0,1,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Isocoumarin, 3,4-dihydro-8-hydroxy-3-methyl-",17397-85-2,28516,"8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one",CC1CC2=C(C(=CC=C2)O)C(=O)O1,"InChI=1S/C10H10O3/c1-6-5-7-3-2-4-8(11)9(7)10(12)13-6/h2-4,6,11H,5H2,1H3",KWILGNNWGSNMPA-UHFFFAOYSA-N,C10H10O3,178.18,178.0629942,2.4,46.5,214,0,1,3,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenesulfonic acid, thio-, S,S'-(2-(dimethylamino)trimethylene) ester",17606-31-4,87176,"1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethylpropan-2-amine",CN(C)C(CSS(=O)(=O)C1=CC=CC=C1)CSS(=O)(=O)C2=CC=CC=C2,"InChI=1S/C17H21NO4S4/c1-18(2)15(13-23-25(19,20)16-9-5-3-6-10-16)14-24-26(21,22)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3",YFXPPSKYMBTNAV-UHFFFAOYSA-N,C17H21NO4S4,431.6,431.0353429,3.4,139,558,0,0,7,9,26,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Coumarin, 3-(piperidinocarbonyl)-",18144-51-9,28913,3-(piperidine-1-carbonyl)chromen-2-one,C1CCN(CC1)C(=O)C2=CC3=CC=CC=C3OC2=O,"InChI=1S/C15H15NO3/c17-14(16-8-4-1-5-9-16)12-10-11-6-2-3-7-13(11)19-15(12)18/h2-3,6-7,10H,1,4-5,8-9H2",RPDYHHVRQGESJA-UHFFFAOYSA-N,C15H15NO3,257.28,257.1051933,2.4,46.6,410,0,0,3,1,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,4-Piperazinedicarboxamidine, N,N''-bis((p-chlorophenyl)amidino)-, dihydrochloride",19803-62-4,71300434,"1-N',4-N'-bis[N'-(4-chlorophenyl)carbamimidoyl]piperazine-1,4-dicarboximidamide;dihydrochloride",C1N(CCN(C1)/C(=N/C(=NC2=CC=C(C=C2)Cl)N)/N)/C(=N/C(=NC3=CC=C(C=C3)Cl)N)/N.Cl.Cl,"InChI=1S/C20H24Cl2N10.2ClH/c21-13-1-5-15(6-2-13)27-17(23)29-19(25)31-9-11-32(12-10-31)20(26)30-18(24)28-16-7-3-14(22)4-8-16;;/h1-8H,9-12H2,(H4,23,25,27,29)(H4,24,26,28,30);2*1H",VJVSCTKGPDDOBN-UHFFFAOYSA-N,C20H26Cl4N10,548.3,548.106652,,160,667,0,6,2,6,34,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"Dammar-13(17)-en-3-one, 11,23,24,25-tetrahydroxy-, (8-alpha,9-beta,11-beta,14-beta,23S,24R)-",19885-10-0,15558616,"(5R,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-17-[(2R,4S,5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one",C[C@H](C[C@@H]([C@H](C(C)(C)O)O)O)C1=C2C[C@@H]([C@H]3[C@]4(CCC(=O)C([C@@H]4CC[C@@]3([C@]2(CC1)C)C)(C)C)C)O,"InChI=1S/C30H50O5/c1-17(15-21(32)25(34)27(4,5)35)18-9-13-29(7)19(18)16-20(31)24-28(6)12-11-23(33)26(2,3)22(28)10-14-30(24,29)8/h17,20-22,24-25,31-32,34-35H,9-16H2,1-8H3/t17-,20+,21+,22+,24+,25-,28+,29+,30+/m1/s1",HNOSJVWYGXOFRP-UNPOXIGHSA-N,C30H50O5,490.7,490.3658247,3.8,98,904,0,4,5,5,35,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetamide, 2-(4-methoxyphenoxy)-N-(2-phenylethyl)-",21197-91-1,210238,2-(4-methoxyphenoxy)-N-(2-phenylethyl)acetamide,COC1=CC=C(C=C1)OCC(=O)NCCC2=CC=CC=C2,"InChI=1S/C17H19NO3/c1-20-15-7-9-16(10-8-15)21-13-17(19)18-12-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,18,19)",JUFJLZLBSLQYQT-UHFFFAOYSA-N,C17H19NO3,285.34,285.1364935,3.2,47.6,294,0,1,3,7,21,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, p-(1,3-dithiolan-2-yl)-",22068-49-1,97562,"4-(1,3-dithiolan-2-yl)phenol",C1CSC(S1)C2=CC=C(C=C2)O,"InChI=1S/C9H10OS2/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4,9-10H,5-6H2",LTNPCGWCUVDEEY-UHFFFAOYSA-N,C9H10OS2,198.3,198.0173073,2.6,70.8,137,0,1,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Ginsenoside RG1,22427-39-0,441923,"(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)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-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol",CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C,"InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,56-37-34(52)32(50)30(48)25(19-44)55-37)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36+,37-,39+,40+,41+,42-/m0/s1",YURJSTAIMNSZAE-HHNZYBFYSA-N,C42H72O14,801,800.492207,2.7,239,1410,0,10,14,10,56,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Oxazoline, 2,4,5-trimethyl-",22694-96-8,31492,"2,4,5-trimethyl-2,5-dihydro-1,3-oxazole",CC1C(=NC(O1)C)C,"InChI=1S/C6H11NO/c1-4-5(2)8-6(3)7-4/h5-6H,1-3H3",YFSGRMONVCFYTC-UHFFFAOYSA-N,C6H11NO,113.16,113.084064,0.5,21.6,120,0,0,2,0,8,,125.00 to 127.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-pyridyl)-, diethyl ester",23125-28-2,99955,"diethyl 2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridine-3,5-dicarboxylate",CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=N2)C(=O)OCC)C)C,"InChI=1S/C18H22N2O4/c1-5-23-17(21)14-11(3)20-12(4)15(18(22)24-6-2)16(14)13-9-7-8-10-19-13/h7-10,16,20H,5-6H2,1-4H3",RDWSCKBHQLBBSE-UHFFFAOYSA-N,C18H22N2O4,330.4,330.1579572,2.3,77.5,525,0,1,6,7,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"beta-D-Glucopyranoside, 5b-((benzoyloxy)methyl)tetrahydro-5-hydroxy-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta(cd)pentalen-1a(2H)-yl, (1aR-(1a-alpha,2-beta,3a-alpha,5-alpha,5a-alpha,5b-alpha))-",23180-57-6,442534,"[(1R,2S,3R,5R,6R,8S)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate",C[C@]12C[C@@]3([C@@H]4C[C@]1([C@@]4([C@H](O2)O3)COC(=O)C5=CC=CC=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O,"InChI=1S/C23H28O11/c1-20-9-22(29)13-7-23(20,32-18-16(27)15(26)14(25)12(8-24)31-18)21(13,19(33-20)34-22)10-30-17(28)11-5-3-2-4-6-11/h2-6,12-16,18-19,24-27,29H,7-10H2,1H3/t12-,13-,14-,15+,16-,18+,19-,20+,21+,22-,23+/m1/s1",YKRGDOXKVOZESV-WRJNSLSBSA-N,C23H28O11,480.5,480.1631617,-1,164,849,0,5,11,7,34,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzamide, N,N-dibenzyl-",23825-35-6,101312,"N,N-dibenzylbenzamide",C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C3=CC=CC=C3,"InChI=1S/C21H19NO/c23-21(20-14-8-3-9-15-20)22(16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-15H,16-17H2",VEQBFCHDNFXWFH-UHFFFAOYSA-N,C21H19NO,301.4,301.1466642,4.4,20.3,329,0,0,1,5,23,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyridine, 3-(5-amino-1,3,4-thiadiazol-2-yl)-",25468-22-8,199035,"5-pyridin-2-yl-1,3,4-thiadiazol-2-amine",C1=CC=NC(=C1)C2=NN=C(S2)N,"InChI=1S/C7H6N4S/c8-7-11-10-6(12-7)5-3-1-2-4-9-5/h1-4H,(H2,8,11)",XRSWPYZJJLNMNK-UHFFFAOYSA-N,C7H6N4S,178.22,178.0313174,0.6,92.9,154,0,1,5,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,4-Thiadiazol-2-amine, 5-((phenylmethyl)thio)-",25660-71-3,99285,"5-benzylsulfanyl-1,3,4-thiadiazol-2-amine",C1=CC=C(C=C1)CSC2=NN=C(S2)N,"InChI=1S/C9H9N3S2/c10-8-11-12-9(14-8)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11)",BHIGBGKIAJJBGD-UHFFFAOYSA-N,C9H9N3S2,223.3,223.0237897,2.4,105,173,0,1,5,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Morpholine, 4-(5-nitro-2-pyridyl)-",26820-62-2,96872,4-(5-nitro-2-pyridinyl)morpholine,C1COCCN1C2=NC=C(C=C2)[N+](=O)[O-],"InChI=1S/C9H11N3O3/c13-12(14)8-1-2-9(10-7-8)11-3-5-15-6-4-11/h1-2,7H,3-6H2",FYJXIPHXFGFEGT-UHFFFAOYSA-N,C9H11N3O3,209.2,209.0800412,0.8,71.2,225,0,0,5,1,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Nicotinamide, N-(3-(4-(p-fluorophenyl)-1-piperazinyl)-1-methylpropyl)-",27367-90-4,71919,N-[4-[4-(4-fluorophenyl)piperazin-1-yl]butan-2-yl]pyridine-3-carboxamide,CC(CCN1CCN(CC1)C2=CC=C(C=C2)F)NC(=O)C3=CN=CC=C3,"InChI=1S/C20H25FN4O/c1-16(23-20(26)17-3-2-9-22-15-17)8-10-24-11-13-25(14-12-24)19-6-4-18(21)5-7-19/h2-7,9,15-16H,8,10-14H2,1H3,(H,23,26)",RSKQGBFMNPDPLR-UHFFFAOYSA-N,C20H25FN4O,356.4,356.2012396,2.6,48.5,434,0,1,5,6,26,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Benzoic acid, p-nitrothio-, S-(p-tolyl) ester",28122-84-1,34166,S-(4-methylphenyl) 4-nitrobenzenecarbothioate,CC1=CC=C(C=C1)SC(=O)C2=CC=C(C=C2)[N+](=O)[O-],"InChI=1S/C14H11NO3S/c1-10-2-8-13(9-3-10)19-14(16)11-4-6-12(7-5-11)15(17)18/h2-9H,1H3",LMFTVBRXQOQHQC-UHFFFAOYSA-N,C14H11NO3S,273.31,273.0459644,4.1,88.2,326,0,0,4,3,19,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Tetrasulfide, bis(2-methyl-3-furyl)-",28588-76-3,24832089,2-methyl-3-[(2-methylfuran-3-yl)tetrasulfanyl]furan,CC1=C(C=CO1)SSSSC2=C(OC=C2)C,"InChI=1S/C10H10O2S4/c1-7-9(3-5-11-7)13-15-16-14-10-4-6-12-8(10)2/h3-6H,1-2H3",WCQMHJWTXQMUQE-UHFFFAOYSA-N,C10H10O2S4,290.5,289.9563643,3.8,127,195,0,0,6,5,16,,142.00 to 147.00 °C. @ 0.80 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Barbituric acid, 1-(p-methoxyphenyl)-2-thio-",28921-29-1,3038130,"1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione",COC1=CC=C(C=C1)N2C(=O)CC(=O)NC2=S,"InChI=1S/C11H10N2O3S/c1-16-8-4-2-7(3-5-8)13-10(15)6-9(14)12-11(13)17/h2-5H,6H2,1H3,(H,12,14,17)",BEXQTUOZCTYWFF-UHFFFAOYSA-N,C11H10N2O3S,250.28,250.0412134,1.1,90.7,351,0,1,4,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Kaur-16-en-15-one, 7-alpha,20-epoxy-1-alpha,6-beta,7,14-tetrahydroxy-, (14R)-",28957-04-2,5321010,"(1S,2S,5S,8R,9S,10S,11R,15S,18R)-9,10,15,18-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one",CC1(CC[C@@H]([C@]23[C@@H]1[C@@H]([C@]([C@]45[C@H]2CC[C@H]([C@H]4O)C(=C)C5=O)(OC3)O)O)O)C,"InChI=1S/C20H28O6/c1-9-10-4-5-11-18-8-26-20(25,19(11,14(9)22)15(10)23)16(24)13(18)17(2,3)7-6-12(18)21/h10-13,15-16,21,23-25H,1,4-8H2,2-3H3/t10-,11-,12-,13+,15+,16-,18+,19-,20+/m0/s1",SDHTXBWLVGWJFT-XKCURVIJSA-N,C20H28O6,364.4,364.1885886,0.1,107,717,0,4,6,0,26,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H,9H-Isoxazolo(3,2-b)(1,3)benzoxazin-9-one, 3,3a-dihydro-7-chloro-",29050-11-1,34443,"7-chloro-3,3a-dihydro-2H-[1,2]oxazolo[3,2-b][1,3]benzoxazin-9-one",C1CON2C1OC3=C(C2=O)C=C(C=C3)Cl,"InChI=1S/C10H8ClNO3/c11-6-1-2-8-7(5-6)10(13)12-9(15-8)3-4-14-12/h1-2,5,9H,3-4H2",XWXVKXXKKLBDDJ-UHFFFAOYSA-N,C10H8ClNO3,225.63,225.0192708,2.1,38.8,286,0,0,3,0,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzyl alcohol, alpha,alpha'-(hexamethylenebis(iminomethylene))bis(3,4-dihydroxy-,sulfate (1:1) (salt)",32266-10-7,325003,"4-[2-[6-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]hexylamino]-1-hydroxyethyl]benzene-1,2-diol;sulfuric acid",C1=CC(=C(C=C1C(CNCCCCCCNCC(C2=CC(=C(C=C2)O)O)O)O)O)O.OS(=O)(=O)O,"InChI=1S/C22H32N2O6.H2O4S/c25-17-7-5-15(11-19(17)27)21(29)13-23-9-3-1-2-4-10-24-14-22(30)16-6-8-18(26)20(28)12-16;1-5(2,3)4/h5-8,11-12,21-30H,1-4,9-10,13-14H2;(H2,1,2,3,4)",GTDCHGNGVGRHQY-UHFFFAOYSA-N,C22H34N2O10S,518.6,518.1934165,,228,499,0,10,12,13,35,,,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propanol, 1-(tert-butylamino)-3-(thiochroman-8-yloxy)-, hydrochloride, (+-)-",33580-30-2,161777,"1-(tert-butylamino)-3-(3,4-dihydro-2H-thiochromen-8-yloxy)propan-2-ol;hydrochloride",CC(C)(C)NCC(COC1=CC=CC2=C1SCCC2)O.Cl,"InChI=1S/C16H25NO2S.ClH/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14;/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3;1H",LPBCJDNVLKNRAZ-UHFFFAOYSA-N,C16H26ClNO2S,331.9,331.1372779,,66.8,293,0,3,4,6,21,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"Phosphorothioic acid, S-((6-chloro-2-oxooxazolo(4,5-b)pyridin-3(2H)-yl)methyl)O,O-dimethyl ester",35575-96-3,71482,"6-chloro-3-(dimethoxyphosphorylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one",COP(=O)(OC)SCN1C2=C(C=C(C=N2)Cl)OC1=O,"InChI=1S/C9H10ClN2O5PS/c1-15-18(14,16-2)19-5-12-8-7(17-9(12)13)3-6(10)4-11-8/h3-4H,5H2,1-2H3",VNKBTWQZTQIWDV-UHFFFAOYSA-N,C9H10ClN2O5PS,324.68,323.9736573,1,103,393,0,0,7,5,19,,,1,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,1
"2H-1,3-Oxazine, tetrahydro-3-nitroso-",35627-29-3,93185,"3-nitroso-1,3-oxazinane",C1CN(COC1)N=O,InChI=1S/C4H8N2O2/c7-5-6-2-1-3-8-4-6/h1-4H2,JVQJUHZAZCBYPP-UHFFFAOYSA-N,C4H8N2O2,116.12,116.0585775,0.3,41.9,86,0,0,4,0,8,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyrazole, dihydro-",36118-45-3,66962,"4,5-dihydro-1H-pyrazole",C1CNN=C1,"InChI=1S/C3H6N2/c1-2-4-5-3-1/h2,5H,1,3H2",MCGBIXXDQFWVDW-UHFFFAOYSA-N,C3H6N2,70.09,70.0530982,-0.2,24.4,48,0,1,2,0,5,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, N-oxide, (S)-",36508-80-2,9815514,(5S)-1-methyl-5-(1-oxidopyridin-1-ium-3-yl)pyrrolidin-2-one,CN1[C@@H](CCC1=O)C2=C[N+](=CC=C2)[O-],"InChI=1S/C10H12N2O2/c1-11-9(4-5-10(11)13)8-3-2-6-12(14)7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1",CIPULDKLIIVIER-VIFPVBQESA-N,C10H12N2O2,192.21,192.0898776,-1.3,45.8,232,0,0,2,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Furanacrylic acid, 5-nitro-, 2-(5-nitrofurfurylidene)hydrazide",37962-27-9,9577606,(E)-3-(5-nitrofuran-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]prop-2-enamide,C1=C(OC(=C1)[N+](=O)[O-])/C=C/C(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-],"InChI=1S/C12H8N4O7/c17-10(4-1-8-2-5-11(22-8)15(18)19)14-13-7-9-3-6-12(23-9)16(20)21/h1-7H,(H,14,17)/b4-1+,13-7+",IUTJYHSRMXYBAA-NYNQDTEKSA-N,C12H8N4O7,320.21,320.0392986,2.8,159,524,0,1,8,4,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Vanadium, bis(3-hydroxy-2-methyl-4H-pyran-4-onato-O3,O4)oxo-, (SP-5-31)-",38213-69-3,3035454,bis(2-methyl-4-oxopyran-3-olate);oxovanadium(2+),CC1=C(C(=O)C=CO1)[O-].CC1=C(C(=O)C=CO1)[O-].O=[V+2],"InChI=1S/2C6H6O3.O.V/c2*1-4-6(8)5(7)2-3-9-4;;/h2*2-3,8H,1H3;;/q;;;+2/p-2",XUOLEICXAPEOSI-UHFFFAOYSA-L,C12H10O7V,317.14,316.98661,,116,202,0,0,7,0,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Methanone, (2-furanyl)(1-piperazinyl)-",40172-95-0,550206,furan-2-yl(piperazin-1-yl)methanone,C1CN(CCN1)C(=O)C2=CC=CO2,"InChI=1S/C9H12N2O2/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11/h1-2,7,10H,3-6H2",SADPINFEWFPMEA-UHFFFAOYSA-N,C9H12N2O2,180.2,180.0898776,0.1,45.5,190,0,1,3,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hydrocinnamamide, N-benzyl-p-methoxy-",40478-34-0,64876,N-benzyl-3-(4-methoxyphenyl)propanamide,COC1=CC=C(C=C1)CCC(=O)NCC2=CC=CC=C2,"InChI=1S/C17H19NO2/c1-20-16-10-7-14(8-11-16)9-12-17(19)18-13-15-5-3-2-4-6-15/h2-8,10-11H,9,12-13H2,1H3,(H,18,19)",YZQICPWATBOPQD-UHFFFAOYSA-N,C17H19NO2,269.34,269.1415788,2.9,38.3,279,0,1,2,6,20,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Stannane, (1H-1,2,4-triazol-1-yl)tricyclohexyl-",41083-11-8,91634,"tricyclohexyl(1,2,4-triazol-1-yl)stannane",C1CCC(CC1)[Sn](C2CCCCC2)(C3CCCCC3)N4C=NC=N4,"InChI=1S/3C6H11.C2H2N3.Sn/c3*1-2-4-6-5-3-1;1-3-2-5-4-1;/h3*1H,2-6H2;1-2H;/q;;;-1;+1",ONHBDDJJTDTLIR-UHFFFAOYSA-N,C20H35N3Sn,436.2,437.185301,,30.7,339,0,0,2,4,24,,,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"(1,3)Benzodioxolo(5,6-e)(2)benzazecin-14(6H)-one, 5,7,8,15-tetrahydro-3,4-dimethoxy-6-methyl-",48216-02-0,98570,"7,8-dimethoxy-11-methyl-17,19-dioxa-11-azatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one",CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)OC)OCO3,"InChI=1S/C21H23NO5/c1-22-7-6-14-9-19-20(27-12-26-19)10-15(14)17(23)8-13-4-5-18(24-2)21(25-3)16(13)11-22/h4-5,9-10H,6-8,11-12H2,1-3H3",HYBRYAPKQCZIAE-UHFFFAOYSA-N,C21H23NO5,369.4,369.1576228,2.9,57.2,529,0,0,6,2,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(4-fluorophenyl)-8-methyl-, methyl ester, (1R,2S,3S,5S)-",50370-56-4,105056,"methyl (1R,2S,3S,5S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate",CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)C3=CC=C(C=C3)F)C(=O)OC,"InChI=1S/C16H20FNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14+,15-/m0/s1",QUSLQENMLDRCTO-YJNKXOJESA-N,C16H20FNO2,277.33,277.147807,2.7,29.5,367,0,0,4,3,20,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0
"Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-N-cyclopropyl-1-deoxy-",50908-62-8,10403711,"(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-cyclopropyl-3,4-dihydroxyoxolane-2-carboxamide",C1CC1NC(=O)[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O,"InChI=1S/C13H16N6O4/c14-10-6-11(16-3-15-10)19(4-17-6)13-8(21)7(20)9(23-13)12(22)18-5-1-2-5/h3-5,7-9,13,20-21H,1-2H2,(H,18,22)(H2,14,15,16)/t7-,8+,9-,13+/m0/s1",MYNRELUCFAQMFC-QRIDJOKKSA-N,C13H16N6O4,320.3,320.123303,-0.5,148,477,0,4,8,3,23,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Propanone, 3-(3-ethenyl-4-piperidinyl)-1-(6-methoxy-4-quinolinyl)-, monohydrochloride,(3R-cis)-",52211-63-9,198279,"3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-(6-methoxyquinolin-4-yl)propan-1-one;hydrochloride",COC1=CC2=C(C=CN=C2C=C1)C(=O)CC[C@@H]3CCNC[C@@H]3C=C.Cl,"InChI=1S/C20H24N2O2.ClH/c1-3-14-13-21-10-8-15(14)4-7-20(23)17-9-11-22-19-6-5-16(24-2)12-18(17)19;/h3,5-6,9,11-12,14-15,21H,1,4,7-8,10,13H2,2H3;1H/t14-,15+;/m0./s1",YUBRJAHSRSIPKX-LDXVYITESA-N,C20H25ClN2O2,360.9,360.1604557,,51.2,439,0,2,4,6,25,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"6H-2-Benzopyran-5-carboxaldehyde, 7,8-dihydro-7,8-dihydroxy-3,7-dimethyl-6-oxo-, (7R-trans)-",53043-28-0,40604,"(7R,8S)-7,8-dihydroxy-3,7-dimethyl-6-oxo-8H-isochromene-5-carbaldehyde",CC1=CC2=C(C(=O)[C@]([C@H](C2=CO1)O)(C)O)C=O,"InChI=1S/C12H12O5/c1-6-3-7-8(4-13)10(14)12(2,16)11(15)9(7)5-17-6/h3-5,11,15-16H,1-2H3/t11-,12-/m0/s1",QVMUHZHZYCDMAI-RYUDHWBXSA-N,C12H12O5,236.22,236.0684735,-1.2,83.8,497,0,2,5,1,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"1-Pyrroline, 3,3-diphenyl-2-ethyl-",53067-74-6,104403,"5-ethyl-4,4-diphenyl-2,3-dihydropyrrole",CCC1=NCCC1(C2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C18H19N/c1-2-17-18(13-14-19-17,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3",ZSZDLICNXAEVQW-UHFFFAOYSA-N,C18H19N,249.3,249.1517496,3.7,12.4,301,0,0,1,3,19,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,1
"2(1H)-Quinoxalinone, 1-(2-diethylamino)ethyl-3-(4-methoxybenzyl)-, hydrochloride",55750-05-5,3043582,1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]quinoxalin-2-one;hydrochloride,CCN(CC)CCN1C2=CC=CC=C2N=C(C1=O)CC3=CC=C(C=C3)OC.Cl,"InChI=1S/C22H27N3O2.ClH/c1-4-24(5-2)14-15-25-21-9-7-6-8-19(21)23-20(22(25)26)16-17-10-12-18(27-3)13-11-17;/h6-13H,4-5,14-16H2,1-3H3;1H",JRNWTJUIMRLKBV-UHFFFAOYSA-N,C22H28ClN3O2,401.9,401.1870048,,45.1,510,0,1,4,8,28,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"9H-Purin-6-amine, 9-((2-chloro-6-fluorophenyl)methyl)-",55779-18-5,41574,9-[(2-chloro-6-fluorophenyl)methyl]purin-6-amine,C1=CC(=C(C(=C1)Cl)CN2C=NC3=C(N=CN=C32)N)F,"InChI=1S/C12H9ClFN5/c13-8-2-1-3-9(14)7(8)4-19-6-18-10-11(15)16-5-17-12(10)19/h1-3,5-6H,4H2,(H2,15,16,17)",NAPNOSFRRMHNBJ-UHFFFAOYSA-N,C12H9ClFN5,277.68,277.0530512,2.4,69.6,320,0,1,5,2,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0
"Benzamide, 4-amino-5-chloro-2-methoxy-N-(1-(phenylmethyl)-4-piperidinyl)-",55905-53-8,2780,4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide,COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3=CC=CC=C3)Cl)N,"InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)",BVPWJMCABCPUQY-UHFFFAOYSA-N,C20H24ClN3O2,373.9,373.1557047,3.2,67.6,450,0,2,4,5,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H-1-Benzopyrano(5',6':6,7)indeno(1,2-b)indol-3(4bh)-one, 5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-2-(1-hydroxy-1-methylethyl)-12b,12c-dimethyl-, (2-alpha,4b-beta,6a-alpha,12b-beta,12c-alpha,14a-beta)-",57186-25-1,105008,"(1S,2R,5S,7R,11S,14S)-11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17,19,21-pentaen-8-one",C[C@]12CC[C@H]3C(=CC(=O)[C@H](O3)C(C)(C)O)[C@@]1(CC[C@@H]4[C@@]2(C5=C(C4)C6=CC=CC=C6N5)C)O,"InChI=1S/C27H33NO4/c1-24(2,30)23-20(29)14-18-21(32-23)10-11-25(3)26(4)15(9-12-27(18,25)31)13-17-16-7-5-6-8-19(16)28-22(17)26/h5-8,14-15,21,23,28,30-31H,9-13H2,1-4H3/t15-,21-,23-,25+,26+,27+/m0/s1",ACNHBCIZLNNLRS-UBGQALKQSA-N,C27H33NO4,435.6,435.2409585,3.5,82.6,868,0,3,4,1,32,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclohexanecarboxylic acid, 3,4-bis((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,5-dihydroxy-, (1S,3R,4R,5R)-",57378-72-0,5281780,"(1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid",C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",UFCLZKMFXSILNL-PSEXTPKNSA-N,C25H24O12,516.4,516.1267762,1.5,211,887,0,7,12,9,37,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Kaur-16-en-18-oic acid, 13-((2-O-beta-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy)-, beta-D-glucopyranosyl ester",57817-89-7,442089,"[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9S,10R,13S)-13-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate",C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)(C)C(=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O,"InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(50)55-32-29(49)26(46)23(43)18(13-40)52-32)21(37)6-10-38(16,15-37)56-33-30(27(47)24(44)19(14-41)53-33)54-31-28(48)25(45)22(42)17(12-39)51-31/h17-33,39-49H,1,4-15H2,2-3H3/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27+,28-,29-,30-,31+,32+,33+,35-,36-,37-,38+/m1/s1",UEDUENGHJMELGK-HYDKPPNVSA-N,C38H60O18,804.9,804.3779651,-1.2,295,1450,0,11,18,10,56,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"24-Norchola-20,22-diene-4-carboxaldehyde, 3,12-bis(acetyloxy)-14,15:21,23-diepoxy-1,7,19-trihydroxy-4,8-dimethyl-11-oxo-, cyclic 4,19-hemiacetal, (1-alpha,3-alpha,4-beta(R),5-alpha,7-alpha,12-alpha,13-alpha,14-beta,15-beta,17-alpha)-",58812-37-6,9851101,"[(1S,2R,4R,5R,6S,8R,10S,11S,12R,14R,15R,16R,19S,21R)-4-acetyloxy-6-(furan-3-yl)-12,16,19-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-21-yl] acetate",CC(=O)O[C@@H]1C[C@@H]([C@@]23CO[C@H]([C@@]1([C@@H]2C[C@H]([C@@]4([C@@H]3C(=O)[C@@H]([C@@]5([C@]46[C@H](O6)C[C@H]5C7=COC=C7)C)OC(=O)C)C)O)C)O)O,"InChI=1S/C30H38O11/c1-13(31)39-20-10-19(34)29-12-38-25(36)26(20,3)17(29)9-18(33)28(5)23(29)22(35)24(40-14(2)32)27(4)16(15-6-7-37-11-15)8-21-30(27,28)41-21/h6-7,11,16-21,23-25,33-34,36H,8-10,12H2,1-5H3/t16-,17-,18+,19-,20+,21+,23-,24-,25+,26+,27+,28+,29+,30+/m0/s1",NAHTXVIXCMUDLF-RFNFAWMESA-N,C30H38O11,574.6,574.241412,0.7,165,1190,0,3,11,5,41,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzeneacetamide, N-(4-chlorophenyl)-N-(1-(1-methylethyl)-4-piperidinyl)-, monohydrochloride",58934-46-6,6917855,N-(4-chlorophenyl)-2-phenyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride,CC(C)N1CCC(CC1)N(C2=CC=C(C=C2)Cl)C(=O)CC3=CC=CC=C3.Cl,"InChI=1S/C22H27ClN2O.ClH/c1-17(2)24-14-12-21(13-15-24)25(20-10-8-19(23)9-11-20)22(26)16-18-6-4-3-5-7-18;/h3-11,17,21H,12-16H2,1-2H3;1H",FSFSWNBDCJVFGI-UHFFFAOYSA-N,C22H28Cl2N2O,407.4,406.1578689,,23.6,433,0,1,2,5,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 3-(3-ethylhexahydro-1-methyl-1H-azepin-3-yl)-, hydrochloride",59263-76-2,65483,3-(3-ethyl-1-methylazepan-3-yl)phenol;hydrochloride,CCC1(CCCCN(C1)C)C2=CC(=CC=C2)O.Cl,"InChI=1S/C15H23NO.ClH/c1-3-15(9-4-5-10-16(2)12-15)13-7-6-8-14(17)11-13;/h6-8,11,17H,3-5,9-10,12H2,1-2H3;1H",MPJUSISYVXABBH-UHFFFAOYSA-N,C15H24ClNO,269.81,269.1546421,,23.5,243,0,2,2,2,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Maitotoxin,59392-53-9,71460273,,C[C@H](CC[C@@H]([C@@H]([C@H](C)C[C@H](C(=C)/C(=C/CO)/C)O)O)OS(=O)(=O)[O-])[C@H]([C@@H](C)[C@H]1[C@@H]([C@@H]([C@H]2[C@H](O1)[C@@H](C[C@]3([C@H](O2)C[C@H]4[C@H](O3)C[C@]5([C@H](O4)[C@H]([C@H]6[C@H](O5)C[C@H]([C@H](O6)[C@@H]([C@H](C[C@H]7[C@@H]([C@@H]([C@H]8[C@H](O7)C[C@H]9[C@H](O8)C[C@H]1[C@H](O9)[C@H]([C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)[C@H]1[C@@H]([C@H]([C@H]2[C@@H](O1)C[C@H]([C@@H](O2)[C@@H](C[C@H](C[C@H]1[C@@H]([C@H]([C@H]2[C@@H](O1)C[C@H]([C@@H](O2)[C@H]1[C@@H](C[C@]2([C@H](O1)[C@@H]([C@]1([C@H](O2)C[C@]2([C@H](O1)CC[C@]1([C@H](O2)C[C@]2([C@H](O1)C[C@H]1[C@H](O2)CC[C@H](O1)[C@]1([C@@H](C[C@H]2[C@](O1)(C[C@H]1[C@](O2)(CC[C@]2([C@H](O1)C[C@H]1[C@](O2)(C[C@H]2[C@H](O1)C/C=C\[C@H]1[C@H](O2)C[C@H]2[C@](O1)(C[C@]1([C@H](O2)C[C@H]2[C@](O1)(CC[C@H](O2)[C@H]([C@@H](C[C@@H](C)[C@@H](C)CC=C)O)O)C)C)C)C)C)C)C)O)C)C)C)C)C)O)C)O)O)O)O)O)O)O)O)O)O)O)O)O)OS(=O)(=O)[O-])O)O)O)O)C)C)O)O)O)O.[Na+].[Na+],"InChI=1S/C164H258O68S2.2Na/c1-24-26-65(2)68(5)41-74(168)117(179)85-33-36-152(11)106(203-85)55-109-162(21,231-152)64-161(20)105(210-109)51-89-83(220-161)28-25-27-82-99(199-89)59-157(16)108(202-82)56-107-153(12,230-157)39-38-151(10)112(211-107)61-158(17)111(224-151)54-101(176)163(22,232-158)103-32-31-84-90(204-103)53-110-156(15,219-84)62-113-150(9,223-110)37-34-102-155(14,225-113)63-114-164(23,227-102)147(192)149-159(18,226-114)58-81(175)134(218-149)133-79(173)47-93-136(216-133)120(182)119(181)92(200-93)44-72(166)43-76(170)131-77(171)46-94-137(214-131)122(184)124(186)143(207-94)145-126(188)125(187)144-146(217-145)128(190)139-97(208-144)50-88-87(206-139)49-96-138(205-88)127(189)141(229-234(196,197)198)95(201-96)45-75(169)118(180)132-78(172)48-98-140(215-132)129(191)148-160(19,221-98)60-100-91(209-148)52-104-154(13,222-100)57-80(174)135-142(212-104)123(185)121(183)130(213-135)71(8)115(177)67(4)29-30-86(228-233(193,194)195)116(178)69(6)42-73(167)70(7)66(3)35-40-165;;/h24-25,28,35,65,67-69,71-149,165-192H,1,7,26-27,29-34,36-64H2,2-6,8-23H3,(H,193,194,195)(H,196,197,198);;/q;2*+1/p-2/b28-25-,66-35+;;/t65-,67+,68+,69+,71+,72+,73+,74+,75-,76+,77+,78+,79+,80+,81+,82+,83-,84+,85-,86-,87-,88+,89+,90-,91-,92-,93-,94-,95-,96+,97-,98+,99-,100+,101+,102+,103-,104+,105-,106-,107+,108-,109+,110+,111-,112-,113+,114+,115+,116+,117-,118+,119-,120+,121+,122+,123-,124+,125+,126+,127+,128+,129-,130-,131-,132-,133+,134+,135+,136+,137+,138+,139-,140+,141-,142-,143+,144-,145+,146+,147-,148+,149+,150-,151+,152+,153-,154-,155-,156-,157+,158+,159-,160-,161+,162-,163+,164+;;/m0../s1",NWQUHAJRFNRIIU-DVGFTKJRSA-L,C164H256Na2O68S2,3425.9,3424.584438,,1010,8290,0,28,68,34,236,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"6-Quinoxalinamine, 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-",59803-98-4,2435,"5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine",C1CN=C(N1)NC2=C(C3=NC=CN=C3C=C2)Br,"InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)",XYLJNLCSTIOKRM-UHFFFAOYSA-N,C11H10BrN5,292.13,291.01196,0.6,62.2,308,0,2,3,2,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Furancarboxamide, N-cyclohexyl-N-methoxy-2,5-dimethyl-",60568-05-0,43359,"N-cyclohexyl-N-methoxy-2,5-dimethylfuran-3-carboxamide",CC1=CC(=C(O1)C)C(=O)N(C2CCCCC2)OC,"InChI=1S/C14H21NO3/c1-10-9-13(11(2)18-10)14(16)15(17-3)12-7-5-4-6-8-12/h9,12H,4-8H2,1-3H3",QTDRLOKFLJJHTG-UHFFFAOYSA-N,C14H21NO3,251.32,251.1521435,3.1,42.7,289,0,0,3,3,18,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-",60750-75-6,173760,"4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one",CC1=CC(=NC2=C1C(=O)NS2)C,"InChI=1S/C8H8N2OS/c1-4-3-5(2)9-8-6(4)7(11)10-12-8/h3H,1-2H3,(H,10,11)",LXCCCCOECARKEZ-UHFFFAOYSA-N,C8H8N2OS,180.23,180.0357341,1.3,67.3,209,0,1,3,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Anthopleurin A,60880-63-9,16132314,"(3S)-3-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-[[2-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[2-[[(2R)-1-[(2S)-2-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2R)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[2-[(2S)-2-[[(2S,3R)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2R)-1-[[(2R)-1-[[(2S)-6-amino-1-(carboxymethylamino)-1-oxohexan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-4-oxobutanoic acid",CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]7CCCN7C(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]8CCCN8C(=O)[C@H](CC9=CC=C(C=C9)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)CN,"InChI=1S/C215H326N62O67S6/c1-19-106(14)171(207(337)232-81-161(294)239-130(63-111-44-48-117(287)49-45-111)188(318)264-150(96-349)202(332)267-147(93-346)198(328)243-123(37-24-26-52-216)177(307)235-85-168(303)304)271-212(342)174(110(18)286)273-206(336)153-41-30-56-275(153)165(298)83-233-178(308)133(67-115-76-223-98-236-115)246-175(305)107(15)238-183(313)125(38-25-27-53-217)244-199(329)146(92-345)265-192(322)136(70-157(220)290)251-191(321)134(68-116-77-224-99-237-116)250-189(319)131(65-113-74-226-121-35-22-20-33-119(113)121)240-159(292)79-229-181(311)141(87-279)260-205(335)155-43-32-58-277(155)214(344)151(97-350)242-162(295)80-230-182(312)142(88-280)259-204(334)154-42-31-57-276(154)213(343)139(64-112-46-50-118(288)51-47-112)256-185(315)126(59-100(2)3)247-190(320)132(66-114-75-227-122-36-23-21-34-120(114)122)249-184(314)128(61-102(6)7)254-210(340)172(108(16)284)269-163(296)82-231-180(310)140(86-278)257-186(316)129(62-103(8)9)255-211(341)173(109(17)285)272-194(324)135(69-156(219)289)241-160(293)78-228-176(306)124(39-28-54-225-215(221)222)245-209(339)170(105(12)13)270-197(327)145(91-283)261-203(333)152-40-29-55-274(152)164(297)84-234-179(309)137(71-166(299)300)252-195(325)143(89-281)258-193(323)138(72-167(301)302)253-201(331)148(94-347)263-187(317)127(60-101(4)5)248-200(330)149(95-348)266-196(326)144(90-282)262-208(338)169(104(10)11)268-158(291)73-218/h20-23,33-36,44-51,74-77,98-110,123-155,169-174,226-227,278-288,345-350H,19,24-32,37-43,52-73,78-97,216-218H2,1-18H3,(H2,219,289)(H2,220,290)(H,223,236)(H,224,237)(H,228,306)(H,229,311)(H,230,312)(H,231,310)(H,232,337)(H,233,308)(H,234,309)(H,235,307)(H,238,313)(H,239,294)(H,240,292)(H,241,293)(H,242,295)(H,243,328)(H,244,329)(H,245,339)(H,246,305)(H,247,320)(H,248,330)(H,249,314)(H,250,319)(H,251,321)(H,252,325)(H,253,331)(H,254,340)(H,255,341)(H,256,315)(H,257,316)(H,258,323)(H,259,334)(H,260,335)(H,261,333)(H,262,338)(H,263,317)(H,264,318)(H,265,322)(H,266,326)(H,267,332)(H,268,291)(H,269,296)(H,270,327)(H,271,342)(H,272,324)(H,273,336)(H,299,300)(H,301,302)(H,303,304)(H4,221,222,225)/t106-,107-,108+,109+,110+,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,169-,170-,171-,172-,173-,174-/m0/s1",DCHLNFQWPLNLQG-OWIWTKNASA-N,C215H326N62O67S6,5044,5042.239965,-22.8,2020,12500,0,76,79,153,350,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyrazine, 2-chloro-6-(1-piperazinyl)-, monohydrochloride",61655-58-1,198421,2-chloro-6-piperazin-1-ylpyrazine;hydrochloride,C1CN(CCN1)C2=CN=CC(=N2)Cl.Cl,"InChI=1S/C8H11ClN4.ClH/c9-7-5-11-6-8(12-7)13-3-1-10-2-4-13;/h5-6,10H,1-4H2;1H",PFIZGLUIYAZQFU-UHFFFAOYSA-N,C8H12Cl2N4,235.11,234.0439018,,41.1,160,0,2,4,1,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4,16-Dioxa-14-azabicyclo(11.3.1)heptadecan-5-one, 7-((2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl)oxy)-3-ethyl-2,10-dihydroxy-15-((2-methoxyethoxy)methyl)-2,6,8,10,12,17-hexamethyl-9-((3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl)oxy)-, (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,15R,17S)-",62013-04-1,6473883,"(1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,15R,17S)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2,10-dihydroxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-15-(2-methoxyethoxymethyl)-2,6,8,10,12,17-hexamethyl-4,16-dioxa-14-azabicyclo[11.3.1]heptadecan-5-one",CC[C@@H]1[C@@]([C@H]2[C@H]([C@H]([C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)O)C)N[C@H](O2)COCCOC)C)(C)O,"InChI=1S/C42H78N2O14/c1-15-29-42(10,49)37-24(4)32(43-30(56-37)21-52-17-16-50-13)22(2)19-40(8,48)36(58-39-33(45)28(44(11)12)18-23(3)53-39)25(5)34(26(6)38(47)55-29)57-31-20-41(9,51-14)35(46)27(7)54-31/h22-37,39,43,45-46,48-49H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,30-,31+,32+,33-,34+,35+,36-,37-,39+,40-,41-,42-/m1/s1",WLOHNSSYAXHWNR-DWIOZXRMSA-N,C42H78N2O14,835.1,834.5453052,4.2,196,1300,0,5,16,12,58,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"beta-D-Glucopyranoside, (3-beta,6-alpha,12-beta)-3,12,20-trihydroxydammar-24-en-6-yl",63223-86-9,12855920,"(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-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]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol",CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)O)C)O)C,"InChI=1S/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,30-,31+,33+,34+,35+,36-/m0/s1",RAQNTCRNSXYLAH-RFCGZQMISA-N,C36H62O9,638.9,638.4393836,4.3,160,1110,0,7,9,7,45,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzamide, 4-chloro-N-(2-methyl-1-indolyl)-3-sulfamoyl-",63968-75-2,45748,4-chloro-N-(2-methylindol-1-yl)-3-sulfamoylbenzamide,CC1=CC2=CC=CC=C2N1NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N,"InChI=1S/C16H14ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-9H,1H3,(H,19,21)(H2,18,22,23)",LWCDXWWLUHMMJI-UHFFFAOYSA-N,C16H14ClN3O3S,363.8,363.0444402,2.9,103,580,0,2,4,3,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"3H-1,2-Dithiole-3-thione, 4-methyl-5-pyrazinyl-",64224-21-1,47318,4-methyl-5-pyrazin-2-yldithiole-3-thione,CC1=C(SSC1=S)C2=NC=CN=C2,"InChI=1S/C8H6N2S3/c1-5-7(12-13-8(5)11)6-4-9-2-3-10-6/h2-4H,1H3",CKNAQFVBEHDJQV-UHFFFAOYSA-N,C8H6N2S3,226.3,225.9693117,1.1,108,262,0,0,5,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Fertilizers, nitrogen-phosphorous-potassium",66455-26-3,168009961,"4-[4-amino-1-[1-[4-[cyclopropyl(methyl)amino]but-2-enoyl]pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(4-ethyl-2-pyridinyl)benzamide;4-[4-amino-1-[1-[4-[cyclopropyl(methyl)amino]but-2-enoyl]pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide;4-[4-amino-1-[1-[4-[cyclopropyl(methyl)amino]but-2-enoyl]pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide",CCC1=CC(=NC=C1)NC(=O)C2=CC=C(C=C2)C3=NN(C4=NC=NC(=C34)N)C5CCN(C5)C(=O)C=CCN(C)C6CC6.CC1=CC(=NC=C1)NC(=O)C2=C(C=C(C=C2)C3=NN(C4=NC=NC(=C34)N)C5CCN(C5)C(=O)C=CCN(C)C6CC6)OC.CC1=CN=C(S1)NC(=O)C2=CC=C(C=C2)C3=NN(C4=NC=NC(=C34)N)C5CCN(C5)C(=O)C=CCN(C)C6CC6,"InChI=1S/C31H35N9O3.C31H35N9O2.C28H31N9O2S/c1-19-10-12-33-25(15-19)36-31(42)23-9-6-20(16-24(23)43-3)28-27-29(32)34-18-35-30(27)40(37-28)22-11-14-39(17-22)26(41)5-4-13-38(2)21-7-8-21;1-3-20-12-14-33-25(17-20)36-31(42)22-8-6-21(7-9-22)28-27-29(32)34-19-35-30(27)40(37-28)24-13-16-39(18-24)26(41)5-4-15-38(2)23-10-11-23;1-17-14-30-28(40-17)33-27(39)19-7-5-18(6-8-19)24-23-25(29)31-16-32-26(23)37(34-24)21-11-13-36(15-21)22(38)4-3-12-35(2)20-9-10-20/h4-6,9-10,12,15-16,18,21-22H,7-8,11,13-14,17H2,1-3H3,(H2,32,34,35)(H,33,36,42);4-9,12,14,17,19,23-24H,3,10-11,13,15-16,18H2,1-2H3,(H2,32,34,35)(H,33,36,42);3-8,14,16,20-21H,9-13,15H2,1-2H3,(H2,29,31,32)(H,30,33,39)",ZJEDKXXULJUKFQ-UHFFFAOYSA-N,C90H101N27O7S,1705,1703.8098,,443,2920,0,6,26,26,125,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propenamide, 3-(4-hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxyphenyl)ethyl)-, (2E)-",66648-43-9,5280537,(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide,COC1=C(C=CC(=C1)/C=C/C(=O)NCCC2=CC=C(C=C2)O)O,"InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+",NPNNKDMSXVRADT-WEVVVXLNSA-N,C18H19NO4,313.3,313.1314081,2.1,78.8,390,0,3,4,6,23,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenepropanenitrile, 4-chloro-beta-(1-methylethyl)-alpha-(3-phenoxyphenyl)-",66753-10-4,128340,3-(4-chlorophenyl)-4-methyl-2-(3-phenoxyphenyl)pentanenitrile,CC(C)C(C1=CC=C(C=C1)Cl)C(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3,"InChI=1S/C24H22ClNO/c1-17(2)24(18-11-13-20(25)14-12-18)23(16-26)19-7-6-10-22(15-19)27-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3",XTIPCTXNTSRYDV-UHFFFAOYSA-N,C24H22ClNO,375.9,375.138992,6.8,33,484,0,0,2,6,27,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"Urea, N-(2-chloro-4-pyridinyl)-N'-phenyl-",68157-60-8,93379,1-(2-chloro-4-pyridinyl)-3-phenylurea,C1=CC=C(C=C1)NC(=O)NC2=CC(=NC=C2)Cl,"InChI=1S/C12H10ClN3O/c13-11-8-10(6-7-14-11)16-12(17)15-9-4-2-1-3-5-9/h1-8H,(H2,14,15,16,17)",GPXLRLUVLMHHIK-UHFFFAOYSA-N,C12H10ClN3O,247.68,247.0512396,2.4,54,256,0,2,2,2,17,"FLASH POINT, °F: >200 Pensky Martin Closed Cup /Kim Blue Plant Growth Regulator/",,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3H-Indeno(1,2-c)pyridazin-3-one, 2,4,4a,5-tetrahydro-2-methyl-",69099-77-0,3052619,"2-methyl-4a,5-dihydro-4H-indeno[1,2-c]pyridazin-3-one",CN1C(=O)CC2CC3=CC=CC=C3C2=N1,"InChI=1S/C12H12N2O/c1-14-11(15)7-9-6-8-4-2-3-5-10(8)12(9)13-14/h2-5,9H,6-7H2,1H3",MOIXSXYCDMIXJG-UHFFFAOYSA-N,C12H12N2O,200.24,200.094963,1.2,32.7,324,0,0,2,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzonitrile, 2-(2-hydroxy-3-((2-(1H-indol-3-yl)-1,1-dimethylethyl)amino)propoxy)-,monohydrochloride",70369-47-0,51044,2-[2-hydroxy-3-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]propoxy]benzonitrile;hydrochloride,CC(C)(CC1=CNC2=CC=CC=C21)NCC(COC3=CC=CC=C3C#N)O.Cl,"InChI=1S/C22H25N3O2.ClH/c1-22(2,11-17-13-24-20-9-5-4-8-19(17)20)25-14-18(26)15-27-21-10-6-3-7-16(21)12-23;/h3-10,13,18,24-26H,11,14-15H2,1-2H3;1H",NCEAPFRHADKEHP-UHFFFAOYSA-N,C22H26ClN3O2,399.9,399.1713548,,81.1,515,0,4,4,8,28,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Benzothiazolinethione, 3-(p-hydroxyphenylaminomethyl)-, hydrochloride",73713-88-9,24189323,"3-[(4-hydroxyanilino)methyl]-1,3-benzothiazole-2-thione;hydrochloride",C1=CC=C2C(=C1)N(C(=S)S2)CNC3=CC=C(C=C3)O.Cl,"InChI=1S/C14H12N2OS2.ClH/c17-11-7-5-10(6-8-11)15-9-16-12-3-1-2-4-13(12)19-14(16)18;/h1-8,15,17H,9H2;1H",GFHGXYFPFUPDMZ-UHFFFAOYSA-N,C14H13ClN2OS2,324.9,324.0157831,,92.9,331,0,3,4,3,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-1,2,4-Triazole-1-ethanol, alpha-(2-fluorophenyl)-alpha-(4-fluorophenyl)-",76674-21-0,91727,"1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol",C1=CC=C(C(=C1)C(CN2C=NC=N2)(C3=CC=C(C=C3)F)O)F,"InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2",JWUCHKBSVLQQCO-UHFFFAOYSA-N,C16H13F2N3O,301.29,301.1026684,2.3,50.9,365,0,1,5,4,22,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Piperidine, 4-(cyclohexylmethyl)-",78197-28-1,98883,4-(cyclohexylmethyl)piperidine,C1CCC(CC1)CC2CCNCC2,"InChI=1S/C12H23N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h11-13H,1-10H2",ZDYLEXHUSVXJPP-UHFFFAOYSA-N,C12H23N,181.32,181.1830497,3.8,12,132,0,1,1,2,13,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Thiazolidinecarboxamide, 5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-, trans-",78587-05-0,13218777,"(4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide",C[C@H]1[C@@H](SC(=O)N1C(=O)NC2CCCCC2)C3=CC=C(C=C3)Cl,"InChI=1S/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15+/m0/s1",XGWIJUOSCAQSSV-XHDPSFHLSA-N,C17H21ClN2O2S,352.9,352.1012268,4.5,74.7,448,0,1,3,2,23,100.00 °C (212.00 °F) - closed cup,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Isonicotinic acid, 2-thenylidenehydrazide",79728-82-8,5469562,N-[(E)-thiophen-2-ylmethylideneamino]pyridine-4-carboxamide,C1=CSC(=C1)/C=N/NC(=O)C2=CC=NC=C2,"InChI=1S/C11H9N3OS/c15-11(9-3-5-12-6-4-9)14-13-8-10-2-1-7-16-10/h1-8H,(H,14,15)/b13-8+",VQHKTXKJAYPSHY-MDWZMJQESA-N,C11H9N3OS,231.28,231.0466331,2.1,82.6,264,0,1,4,3,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,7-(Epoxypentadeca(1,11,13)trienimino)benzofuro(4,5-e)pyrido(1,2-a)benzimidazole-1,15(2H)-dione, 25-(acetyloxy)-5,6,21,23-tetrahydroxy-27-methoxy-2,4,11,16,20,22,24,26-octamethyl-,(2S-(2R*,16Z,18E,20R*,21R*,22S*,23S*,24S*,25R*,26S*,27R*,28E))-",80621-81-4,6436173,"[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,36-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22,30-octamethyl-6,23-dioxo-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.14,7.05,35.026,34.027,32]heptatriaconta-1(35),2,4,9,19,21,25(36),26(34),28,30,32-undecaen-13-yl] acetate",C[C@H]1/C=C/C=C(\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C5=C2N6C=CC(=CC6=N5)C)O)/C,"InChI=1S/C43H51N3O11/c1-19-14-16-46-28(18-19)44-32-29-30-37(50)25(7)40-31(29)41(52)43(9,57-40)55-17-15-27(54-10)22(4)39(56-26(8)47)24(6)36(49)23(5)35(48)20(2)12-11-13-21(3)42(53)45-33(34(32)46)38(30)51/h11-18,20,22-24,27,35-36,39,48-51H,1-10H3,(H,45,53)/b12-11+,17-15+,21-13-/t20-,22+,23+,24+,27-,35-,36+,39+,43-/m0/s1",NZCRJKRKKOLAOJ-XRCRFVBUSA-N,C43H51N3O11,785.9,785.3523595,6.9,198,1590,0,5,12,3,57,,,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,1
"4-Thiazoleethanethioic acid, 2-amino-alpha-(methoxyimino)-, S-2-benzothiazolyl ester, (Z)-",80756-85-0,5702580,"S-(1,3-benzothiazol-2-yl) (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoethanethioate",CO/N=C(/C1=CSC(=N1)N)\C(=O)SC2=NC3=CC=CC=C3S2,"InChI=1S/C13H10N4O2S3/c1-19-17-10(8-6-20-12(14)15-8)11(18)22-13-16-7-4-2-3-5-9(7)21-13/h2-6H,1H3,(H2,14,15)/b17-10-",COFDRZLHVALCDU-YVLHZVERSA-N,C13H10N4O2S3,350.4,349.9965891,4.1,172,451,0,1,9,5,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,4-Oxadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)-",80987-71-9,3067251,"5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-amine",C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)N,"InChI=1S/C9H7N3O3/c10-9-12-11-8(15-9)5-1-2-6-7(3-5)14-4-13-6/h1-3H,4H2,(H2,10,12)",RDYBBDXAHGPAOB-UHFFFAOYSA-N,C9H7N3O3,205.17,205.0487411,0.9,83.4,241,0,1,6,1,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Coffea arabica Linn., extract excluding roots",84650-00-0,6850756,"furan;1-methylpyridin-1-ium-3-carboxylate;pyridine-3-carboxylic acid;1,3,7-trimethyl-4,5-dihydropurine-2,6-dione",CN1C=NC2C1C(=O)N(C(=O)N2C)C.C[N+]1=CC=CC(=C1)C(=O)[O-].C1=COC=C1.C1=CC(=CN=C1)C(=O)O,"InChI=1S/C8H12N4O2.C7H7NO2.C6H5NO2.C4H4O/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;1-8-4-2-3-6(5-8)7(9)10;8-6(9)5-2-1-3-7-4-5;1-2-4-5-3-1/h4-6H,1-3H3;2-5H,1H3;1-4H,(H,8,9);1-4H",GCXWWLLWAMSGEL-UHFFFAOYSA-N,C25H28N6O7,524.5,524.2019473,,164,594,0,1,9,1,38,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1H-Indole, 4-(1-piperazinyl)-",84807-09-0,594590,4-piperazin-1-yl-1H-indole,C1CN(CCN1)C2=CC=CC3=C2C=CN3,"InChI=1S/C12H15N3/c1-2-11-10(4-5-14-11)12(3-1)15-8-6-13-7-9-15/h1-5,13-14H,6-9H2",YZKSXUIOKWQABW-UHFFFAOYSA-N,C12H15N3,201.27,201.1265975,2.2,31.1,213,0,2,2,1,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Pyrimidinamine, 6-chloro-2-methyl-N-(phenylmethyl)-5-(2-propenyl)-",85826-37-5,854382,N-benzyl-6-chloro-2-methyl-5-prop-2-enylpyrimidin-4-amine,CC1=NC(=C(C(=N1)Cl)CC=C)NCC2=CC=CC=C2,"InChI=1S/C15H16ClN3/c1-3-7-13-14(16)18-11(2)19-15(13)17-10-12-8-5-4-6-9-12/h3-6,8-9H,1,7,10H2,2H3,(H,17,18,19)",CJOZWYPAQFUNMT-UHFFFAOYSA-N,C15H16ClN3,273.76,273.1032752,4.4,37.8,279,0,1,3,5,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenepropanoic acid, 2,4-dichloro-alpha-((cyclopropylamino)methylene)-5-fluoro-beta-oxo-,ethyl ester",86483-53-6,135568349,"ethyl (Z)-2-(cyclopropyliminomethyl)-3-(2,4-dichloro-5-fluorophenyl)-3-hydroxyprop-2-enoate",CCOC(=O)/C(=C(/C1=CC(=C(C=C1Cl)Cl)F)\O)/C=NC2CC2,"InChI=1S/C15H14Cl2FNO3/c1-2-22-15(21)10(7-19-8-3-4-8)14(20)9-5-13(18)12(17)6-11(9)16/h5-8,20H,2-4H2,1H3/b14-10-,19-7?",ARMCOAAVDPXPRM-HQGYWOFESA-N,C15H14Cl2FNO3,346.2,345.0334769,4.2,58.9,479,0,1,5,6,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Benzimidazole, 1-(2-ethoxyethyl)-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-,(E)-2-butenedioate (1:2)",87233-62-3,5282485,"bis((E)-but-2-enedioic acid);1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole",CCOCCN1C(=NC2=CC=CC=C12)N3CCN(CCC3)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O,"InChI=1S/C17H26N4O.2C4H4O4/c1-3-22-14-13-21-16-8-5-4-7-15(16)18-17(21)20-10-6-9-19(2)11-12-20;2*5-3(6)1-2-4(7)8/h4-5,7-8H,3,6,9-14H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+",FWLKKPKZQYVAFR-LVEZLNDCSA-N,C25H34N4O9,534.6,534.2325787,,183,460,0,4,12,9,38,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Thiazolidineacetic acid, 4-carboxy-5,5-dimethyl-alpha-((2-phenyl-1-oxoethyl)amino)-, (alpha-R,2R,4S)-",87492-68-0,445702,"(2R,4S)-2-[(R)-carboxy-[(2-phenylacetyl)amino]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid",CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)CC2=CC=CC=C2)C(=O)O)C,"InChI=1S/C16H20N2O5S/c1-16(2)12(15(22)23)18-13(24-16)11(14(20)21)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-13,18H,8H2,1-2H3,(H,17,19)(H,20,21)(H,22,23)/t11-,12-,13+/m0/s1",HCYWNSXLUZRKJX-RWMBFGLXSA-N,C16H20N2O5S,352.4,352.1092929,-1.1,141,505,0,4,7,6,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
"6H-Pyridazino(1,2-a)(1,2)diazepine-1-carboxylic acid, octahydro-9-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-10-oxo-, hydrate, (1S-(1-alpha,9-alpha(R*)))-",92077-78-6,56329,"(4S,7S)-7-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylic acid;hydrate",CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]2CCCN3CCC[C@H](N3C2=O)C(=O)O.O,"InChI=1S/C22H31N3O5.H2O/c1-2-30-22(29)18(13-12-16-8-4-3-5-9-16)23-17-10-6-14-24-15-7-11-19(21(27)28)25(24)20(17)26;/h3-5,8-9,17-19,23H,2,6-7,10-15H2,1H3,(H,27,28);1H2/t17-,18-,19-;/m0./s1",JQRZBPFGBRIWSN-YOTVLOEGSA-N,C22H33N3O6,435.5,435.2369358,,100,608,0,3,8,9,31,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"5H-2-Pyrindin-3-amine, 6,7-dihydro-",93587-43-0,13302395,"6,7-dihydro-5H-cyclopenta[c]pyridin-3-amine",C1CC2=CC(=NC=C2C1)N,"InChI=1S/C8H10N2/c9-8-4-6-2-1-3-7(6)5-10-8/h4-5H,1-3H2,(H2,9,10)",CZQAFEZEQLKPPN-UHFFFAOYSA-N,C8H10N2,134.18,134.0843983,1.3,38.9,124,0,1,2,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 4,4'-[methylenebis(oxy-2,1-ethanediylthio)]bis-",93589-69-6,3086375,4-[2-[2-(4-hydroxyphenyl)sulfanylethoxymethoxy]ethylsulfanyl]phenol,C1=CC(=CC=C1O)SCCOCOCCSC2=CC=C(C=C2)O,"InChI=1S/C17H20O4S2/c18-14-1-5-16(6-2-14)22-11-9-20-13-21-10-12-23-17-7-3-15(19)4-8-17/h1-8,18-19H,9-13H2",QBZPUSKHVURBGP-UHFFFAOYSA-N,C17H20O4S2,352.5,352.0803015,3.7,110,262,0,2,6,10,23,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Piperidine, 1-(N-phenylalanyl)-",93865-37-3,715789,(2S)-2-amino-3-phenyl-1-piperidin-1-ylpropan-1-one,C1CCN(CC1)C(=O)[C@H](CC2=CC=CC=C2)N,"InChI=1S/C14H20N2O/c15-13(11-12-7-3-1-4-8-12)14(17)16-9-5-2-6-10-16/h1,3-4,7-8,13H,2,5-6,9-11,15H2/t13-/m0/s1",IZPOHNAFLAXBCQ-ZDUSSCGKSA-N,C14H20N2O,232.32,232.1575633,1.6,46.3,243,0,1,2,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"Thiazole, 4,5-dihydro-2-(3,4,5-trimethoxyphenyl)-",96159-92-1,3024546,"2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-thiazole",COC1=CC(=CC(=C1OC)OC)C2=NCCS2,"InChI=1S/C12H15NO3S/c1-14-9-6-8(12-13-4-5-17-12)7-10(15-2)11(9)16-3/h6-7H,4-5H2,1-3H3",QXBQKBAGRFODPD-UHFFFAOYSA-N,C12H15NO3S,253.32,253.0772645,1.9,65.4,271,0,0,5,4,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Brevetoxin A,98112-41-5,10865808,"2-[[(1S,3R,4S,6S,8R,10R,12S,16R,18S,20R,22S,24Z,27R,29S,33R,35S,37R,39R,41S,42S,44R,46S,48R,49Z)-41-hydroxy-4,8,10,46-tetramethyl-14-oxo-2,7,13,17,21,28,34,38,43,47-decaoxadecacyclo[25.24.0.03,22.06,20.08,18.012,16.029,48.033,46.035,44.037,42]henpentaconta-24,49-dien-39-yl]methyl]prop-2-enal",C[C@@H]1C[C@H]2[C@@H](CC(=O)O2)O[C@H]3C[C@@H]4[C@H](C[C@@H]([C@@H]5[C@@H](O4)C/C=C\C[C@@H]6[C@@H](O5)C/C=C\[C@@H]7[C@@H](O6)CCC[C@@H]8[C@@](O7)(C[C@@H]9[C@@H](O8)C[C@@H]2[C@@H](O9)[C@H](C[C@H](O2)CC(=C)C=O)O)C)C)O[C@@]3(C1)C,"InChI=1S/C49H70O13/c1-26-17-36-39(22-45(52)58-36)57-44-21-38-40(62-48(44,4)23-26)18-28(3)46-35(55-38)11-7-6-10-31-32(59-46)12-8-14-34-33(54-31)13-9-15-43-49(5,61-34)24-42-37(56-43)20-41-47(60-42)30(51)19-29(53-41)16-27(2)25-50/h6-8,14,25-26,28-44,46-47,51H,2,9-13,15-24H2,1,3-5H3/b7-6-,14-8-/t26-,28+,29-,30+,31-,32+,33+,34-,35+,36+,37+,38-,39-,40+,41-,42-,43-,44+,46-,47+,48-,49+/m1/s1",MGVIMUPHKPHTKF-HQUFVKSZSA-N,C49H70O13,867.1,866.4816423,5.3,147,1720,0,1,13,3,62,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Azabicyclo(3.3.1)nonan-9-ol, 6-(dimethylamino)-3-methyl-, benzoate (ester),dihydrochloride, (exo,anti)-",98663-54-8,18342470,3-azabicyclo[3.3.1]nonan-9-ol,C1CC2CNCC(C1)C2O,"InChI=1S/C8H15NO/c10-8-6-2-1-3-7(8)5-9-4-6/h6-10H,1-5H2",MRDRFUVPXXUBMO-UHFFFAOYSA-N,C8H15NO,141.21,141.1153641,0.5,32.3,114,0,2,2,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(1H)-Quinolinone, 8-hydroxy-5-(1-hydroxy-2-((2-(4-methoxyphenyl)-1-methylethyl)amino)ethyl)-,hydrochloride, (R-(R*,R*))-",100429-08-1,63951,8-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]-1H-quinolin-2-one;hydrochloride,C[C@H](CC1=CC=C(C=C1)OC)NC[C@@H](C2=C3C=CC(=O)NC3=C(C=C2)O)O.Cl,"InChI=1S/C21H24N2O4.ClH/c1-13(11-14-3-5-15(27-2)6-4-14)22-12-19(25)16-7-9-18(24)21-17(16)8-10-20(26)23-21;/h3-10,13,19,22,24-25H,11-12H2,1-2H3,(H,23,26);1H/t13-,19+;/m1./s1",SYCWERNQGSKYAG-QVRIGTRMSA-N,C21H25ClN2O4,404.9,404.150285,,90.8,518,0,5,5,7,28,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"L-Ribonamide, N-((3S)-3-(4-((1E)-3-((2R,3R,5R,7S,8S,9R)-2-((1S,3S,4S,5R,6R,7E,9E,11E,13Z)-14-cyano-3,5-dihydroxy-1-methoxy-4,6,8,9,13-pentamethyl-7,9,11,13-tetradecatetraenyl)-9-hydroxy-4,4,8-trimethyl-3-(phosphonooxy)-1,6-dioxaspiro(4.5)dec-7-yl)-1-propenyl)-2-oxazoly)butyl)-4-deoxy-4-(dimethylamino)-5-O-methyl-",101932-71-2,5311365,"[(2R,3R,5R,7R,8S,9S)-2-[(1S,3S,4S,5R,6R,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-[(2S)-4-[[(2S,3S,4S)-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",C[C@H]1[C@@H](C[C@@]2(C([C@H]([C@H](O2)[C@H](C[C@@H]([C@H](C)[C@@H]([C@H](C)/C=C(\C)/C(=C/C=C/C(=C\C#N)/C)/C)O)O)OC)OP(=O)(O)O)(C)C)O[C@H]1C/C=C/C3=COC(=N3)[C@@H](C)CCNC(=O)[C@H]([C@H]([C@H](COC)N(C)C)O)O)O,"InChI=1S/C50H81N4O15P/c1-29(20-22-51)16-14-17-30(2)32(4)24-33(5)42(57)35(7)38(55)25-41(65-13)45-46(69-70(61,62)63)49(8,9)50(68-45)26-39(56)34(6)40(67-50)19-15-18-36-27-66-48(53-36)31(3)21-23-52-47(60)44(59)43(58)37(28-64-12)54(10)11/h14-18,20,24,27,31,33-35,37-46,55-59H,19,21,23,25-26,28H2,1-13H3,(H,52,60)(H2,61,62,63)/b16-14+,18-15+,29-20-,30-17+,32-24+/t31-,33+,34-,35-,37-,38-,39+,40-,41-,42+,43-,44-,45+,46-,50+/m0/s1",FKAWLXNLHHIHLA-YCBIHMBMSA-N,C50H81N4O15P,1009.2,1008.543605,1.8,287,1930,0,8,18,26,70,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2,4-Pyrimidinediamine, 5-((8-(dimethylamino)-7-methyl-5-quinolinyl)methyl)-",102280-35-3,9861430,"5-[[8-(dimethylamino)-7-methylquinolin-5-yl]methyl]pyrimidine-2,4-diamine",CC1=CC(=C2C=CC=NC2=C1N(C)C)CC3=CN=C(N=C3N)N,"InChI=1S/C17H20N6/c1-10-7-11(8-12-9-21-17(19)22-16(12)18)13-5-4-6-20-14(13)15(10)23(2)3/h4-7,9H,8H2,1-3H3,(H4,18,19,21,22)",AIOWJIMWVFWROP-UHFFFAOYSA-N,C17H20N6,308.4,308.1749447,2.2,94,389,0,2,6,3,23,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 5,11-dihydro-11-((2-((diethylamino)methyl)-7-piperidinyl)acetyl)-",102394-31-0,107867,"11-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one",CCN(CC)CC1CCCCN1CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4,"InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)",UBRKDAVQCKZSPO-UHFFFAOYSA-N,C24H31N5O2,421.5,421.2477753,2,68.8,625,0,1,5,6,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzene, 3,3'-oxybis(1-phenyl-4-amino-",105112-76-3,11810717,3-[4-[4-(3-aminophenoxy)phenyl]phenoxy]aniline,C1=CC(=CC(=C1)OC2=CC=C(C=C2)C3=CC=C(C=C3)OC4=CC=CC(=C4)N)N,"InChI=1S/C24H20N2O2/c25-19-3-1-5-23(15-19)27-21-11-7-17(8-12-21)18-9-13-22(14-10-18)28-24-6-2-4-20(26)16-24/h1-16H,25-26H2",UCQABCHSIIXVOY-UHFFFAOYSA-N,C24H20N2O2,368.4,368.1524779,5.2,70.5,416,0,2,4,5,28,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-Piperidinebutanamide, 4-(4-chlorophenyl)-4-hydroxy-N,N-dimethyl-alpha,alpha-diphenyl-,1-oxide, (E)-",106900-12-3,71421,"4-[4-(4-chlorophenyl)-4-hydroxy-1-oxidopiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide",CN(C)C(=O)C(CC[N+]1(CCC(CC1)(C2=CC=C(C=C2)Cl)O)[O-])(C3=CC=CC=C3)C4=CC=CC=C4,"InChI=1S/C29H33ClN2O3/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32(35)20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3",KXVSBTJVTUVNPM-UHFFFAOYSA-N,C29H33ClN2O3,493,492.2179706,4.5,58.6,668,0,1,3,7,35,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pregn-4-ene-7,21-dicarboxylic acid, 9,11-epoxy-17-hydroxy-3-oxo-, gamma-lactone, methyl ester, (7-alpha,11-alpha,17-alpha)-",107724-20-9,443872,"methyl (1R,2S,9R,10R,11S,14R,15S,17R)-2,15-dimethyl-5,5'-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]-9-carboxylate",C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@]24[C@H](O4)C[C@]5([C@H]3CC[C@@]56CCC(=O)O6)C)C(=O)OC,"InChI=1S/C24H30O6/c1-21-7-4-14(25)10-13(21)11-15(20(27)28-3)19-16-5-8-23(9-6-18(26)30-23)22(16,2)12-17-24(19,21)29-17/h10,15-17,19H,4-9,11-12H2,1-3H3/t15-,16+,17-,19+,21+,22+,23-,24-/m1/s1",JUKPWJGBANNWMW-VWBFHTRKSA-N,C24H30O6,414.5,414.2042387,1.4,82.2,907,0,0,6,2,30,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0
"L-Threoninamide, 3-(2-naphthalenyl)-D-alanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-valyl-L-cysteinyl-, cyclic (2-7)-disulfide",108736-35-2,6918011,"(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-19-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide",C[C@H]([C@@H](C(=O)N)NC(=O)[C@@H]1CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C(C)C)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)[C@@H](CC5=CC6=CC=CC=C6C=C5)N)O,"InChI=1S/C54H69N11O10S2/c1-29(2)45-54(75)63-44(53(74)65-46(30(3)66)47(57)68)28-77-76-27-43(62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32)52(73)60-41(24-31-16-19-36(67)20-17-31)50(71)61-42(25-35-26-58-39-13-7-6-12-37(35)39)51(72)59-40(49(70)64-45)14-8-9-21-55/h4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74)/t30-,38-,40+,41+,42-,43+,44+,45+,46+/m1/s1",PUDHBTGHUJUUFI-SCTWWAJVSA-N,C54H69N11O10S2,1096.3,1095.46703,2.5,406,2000,0,13,14,17,77,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Morpholine, 4-(3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)-",110488-70-5,86298,"3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one",COC1=C(C=C(C=C1)C(=CC(=O)N2CCOCC2)C3=CC=C(C=C3)Cl)OC,"InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3",QNBTYORWCCMPQP-UHFFFAOYSA-N,C21H22ClNO4,387.9,387.1237359,3.9,48,512,0,0,4,5,27,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"Benzamide, N-(((4-(((((4-chlorophenyl)cyclopropylmethylene)amino)oxy)methyl)phenyl)amino)carbonyl)-2,6-difluoro-",113036-88-7,86309,"N-[[4-[[[(4-chlorophenyl)-cyclopropylmethylidene]amino]oxymethyl]phenyl]carbamoyl]-2,6-difluorobenzamide",C1CC1C(=NOCC2=CC=C(C=C2)NC(=O)NC(=O)C3=C(C=CC=C3F)F)C4=CC=C(C=C4)Cl,"InChI=1S/C25H20ClF2N3O3/c26-18-10-8-17(9-11-18)23(16-6-7-16)31-34-14-15-4-12-19(13-5-15)29-25(33)30-24(32)22-20(27)2-1-3-21(22)28/h1-5,8-13,16H,6-7,14H2,(H2,29,30,32,33)",PCKNFPQPGUWFHO-UHFFFAOYSA-N,C25H20ClF2N3O3,483.9,483.1161255,6.1,79.8,725,0,2,6,7,34,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-(4-pyridinyl)-",117258-15-8,3088268,"4-methyl-3-pyridin-4-yl-1H-1,2,4-triazol-5-one",CN1C(=NNC1=O)C2=CC=NC=C2,"InChI=1S/C8H8N4O/c1-12-7(10-11-8(12)13)6-2-4-9-5-3-6/h2-5H,1H3,(H,11,13)",KTBUBABVOMZUEU-UHFFFAOYSA-N,C8H8N4O,176.18,176.0698109,0,57.6,245,0,1,3,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, ((2-chloro-4-fluoro-5-((tetrahydro-3-oxo-1H,3H-(1,3,4)thiadiazolo(3,4-a)pyridazin-1-ylidene)amino)phenyl)thio)-, methyl ester",117337-19-6,93542,"methyl 2-[2-chloro-4-fluoro-5-[(3-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]sulfanylacetate",COC(=O)CSC1=C(C=C(C(=C1)N=C2N3CCCCN3C(=O)S2)F)Cl,"InChI=1S/C15H15ClFN3O3S2/c1-23-13(21)8-24-12-7-11(10(17)6-9(12)16)18-14-19-4-2-3-5-20(19)15(22)25-14/h6-7H,2-5,8H2,1H3",ZCNQYNHDVRPZIH-UHFFFAOYSA-N,C15H15ClFN3O3S2,403.9,403.0227396,3.9,113,568,0,0,7,5,25,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzeneacetic acid, alpha-(methoxymethylene)-2-(((6-(trifluoromethyl)-2-pyridinyl)oxy)methyl)-, methyl ester, (alpha-E)-",117428-22-5,11285653,methyl (E)-3-methoxy-2-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]prop-2-enoate,CO/C=C(\C1=CC=CC=C1COC2=CC=CC(=N2)C(F)(F)F)/C(=O)OC,"InChI=1S/C18H16F3NO4/c1-24-11-14(17(23)25-2)13-7-4-3-6-12(13)10-26-16-9-5-8-15(22-16)18(19,20)21/h3-9,11H,10H2,1-2H3/b14-11+",IBSNKSODLGJUMQ-SDNWHVSQSA-N,C18H16F3NO4,367.3,367.1031425,3.6,57.7,495,0,0,8,7,26,,,1,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Pyrazole-5-sulfonamide, N-(((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-",120162-55-2,86355,"1-(4,6-dimethoxypyrimidin-2-yl)-3-[1-methyl-4-(2-methyltetrazol-5-yl)pyrazol-5-yl]sulfonylurea",CN1C(=C(C=N1)C2=NN(N=N2)C)S(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC,"InChI=1S/C13H16N10O5S/c1-22-11(7(6-14-22)10-18-21-23(2)19-10)29(25,26)20-13(24)17-12-15-8(27-3)5-9(16-12)28-4/h5-6H,1-4H3,(H2,15,16,17,20,24)",MAHPNPYYQAIOJN-UHFFFAOYSA-N,C13H16N10O5S,424.4,424.1025848,0.3,189,665,0,2,11,6,29,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Pyrido(4,3-b)indol-1-one, 2,3,4,5-tetrahydro-5-methyl-2-((5-methyl-1H-imidazol-4-yl)methyl)-, monohydrochloride",122852-69-1,60758,"5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one;hydrochloride",CC1=C(N=CN1)CN2CCC3=C(C2=O)C4=CC=CC=C4N3C.Cl,"InChI=1S/C17H18N4O.ClH/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2;/h3-6,10H,7-9H2,1-2H3,(H,18,19);1H",FNYQZOVOVDSGJH-UHFFFAOYSA-N,C17H19ClN4O,330.8,330.1247389,,53.9,442,0,2,2,2,23,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"C'-Norvincaleukoblastine, 3',4'-didehydro-4'-dioxy-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:2)",125317-39-7,25136944,"(2R,3R)-2,3-dihydroxybutanedioic acid;methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(12S,14R)-16-ethyl-12-methoxycarbonyl-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8,15-pentaen-12-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate",CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,"InChI=1S/C45H54N4O8.C4H6O6/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7;5-1(3(7)8)2(6)4(9)10/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3;1-2,5-6H,(H,7,8)(H,9,10)/t28-,37-,38+,39+,42+,43+,44-,45-;1-,2-/m01/s1",UUHYRRXICWUZHW-RPZOAHRESA-N,C49H60N4O14,929,928.4106026,,249,1820,0,6,17,13,67,,,0,0,0,1,0,0,0,1,0,0,1,0,0,1,0,0,1,0,1,0
"4-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, 2-(4-morpholinyl)ethyl ester, (E)-",128794-94-5,5281078,2-morpholin-4-ylethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate,CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)OCCN3CCOCC3)O,"InChI=1S/C23H31NO7/c1-15(5-7-19(25)30-13-10-24-8-11-29-12-9-24)4-6-17-21(26)20-18(14-31-23(20)27)16(2)22(17)28-3/h4,26H,5-14H2,1-3H3/b15-4+",RTGDFNSFWBGLEC-SYZQJQIISA-N,C23H31NO7,433.5,433.2100523,3.2,94.5,646,0,1,8,10,31,,637.6±55.0,1,0,0,1,0,0,1,0,0,0,1,0,0,1,0,0,0,0,1,0
"2-Pyrimidinamine, N-(4-(2-(2,4-dimethylphenoxy)phenyl)-2-thiazolyl)-1,4,5,6-tetrahydro-",129639-79-8,159326,"4-[2-(2,4-dimethylphenoxy)phenyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine",CC1=CC(=C(C=C1)OC2=CC=CC=C2C3=CSC(=N3)NC4=NCCCN4)C,"InChI=1S/C21H22N4OS/c1-14-8-9-18(15(2)12-14)26-19-7-4-3-6-16(19)17-13-27-21(24-17)25-20-22-10-5-11-23-20/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H2,22,23,24,25)",TYBHXIFFPVFXQW-UHFFFAOYSA-N,C21H22N4OS,378.5,378.1514325,4.3,86.8,516,0,2,4,5,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(1H)-Quinolinone, 7-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butoxy)-",129722-25-4,10114519,"7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-quinolin-2-one",C1CN(CCN1CCCCOC2=CC3=C(C=C2)C=CC(=O)N3)C4=C(C(=CC=C4)Cl)Cl,"InChI=1S/C23H25Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-9,16H,1-2,10-15H2,(H,26,29)",CDONPRYEWWPREK-UHFFFAOYSA-N,C23H25Cl2N3O2,446.4,445.1323824,4.9,44.8,597,0,1,4,7,30,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Methanaminium, N,N,N-trimethyl-, salt with 3,3'-((6-((2-hydroxyethyl)amino)-1,3,5-triazine-2,4-diyl)bis(imino(2-methyl-4,1-phenylene)azo))bis(1,5-naphthalenedisulfonic acid) (4:1)",131013-83-7,164315,"3-[[4-[[4-[4-[(4,8-disulfonaphthalen-2-yl)diazenyl]-3-methylanilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]naphthalene-1,5-disulfonic acid;tetrakis(tetramethylazanium)",CC1=C(C=CC(=C1)NC2=NC(=NC(=N2)NCCO)NC3=CC(=C(C=C3)N=NC4=CC5=C(C=CC=C5S(=O)(=O)O)C(=C4)S(=O)(=O)O)C)N=NC6=CC7=C(C=CC=C7S(=O)(=O)O)C(=C6)S(=O)(=O)O.C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C,"InChI=1S/C39H34N10O13S4.4C4H12N/c1-21-15-23(9-11-31(21)48-46-25-17-29-27(35(19-25)65(57,58)59)5-3-7-33(29)63(51,52)53)41-38-43-37(40-13-14-50)44-39(45-38)42-24-10-12-32(22(2)16-24)49-47-26-18-30-28(36(20-26)66(60,61)62)6-4-8-34(30)64(54,55)56;4*1-5(2,3)4/h3-12,15-20,50H,13-14H2,1-2H3,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H3,40,41,42,43,44,45);4*1-4H3/q;4*+1",LHFXJHQDOAGCIB-UHFFFAOYSA-N,C55H82N14O13S4+4,1275.6,1274.506863,,395,2030,4,8,23,15,86,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclo((alpha-S,2S)-alpha-amino-eta-oxooxiraneoctanoyl-L-phenylalanyl-L-phenylalanyl-(2R)-2-piperidinecarbonyl)",133155-89-2,121875,"(3S,6S,9S,12R)-3,6-dibenzyl-9-[6-[(2S)-oxiran-2-yl]-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone",C1CCN2[C@H](C1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C2=O)CC3=CC=CC=C3)CC4=CC=CC=C4)CCCCCC(=O)[C@@H]5CO5,"InChI=1S/C34H42N4O6/c39-29(30-22-44-30)18-9-3-8-16-25-31(40)36-26(20-23-12-4-1-5-13-23)32(41)37-27(21-24-14-6-2-7-15-24)34(43)38-19-11-10-17-28(38)33(42)35-25/h1-2,4-7,12-15,25-28,30H,3,8-11,16-22H2,(H,35,42)(H,36,40)(H,37,41)/t25-,26-,27-,28+,30-/m0/s1",GXVXXETYXSPSOA-UFEOFEBPSA-N,C34H42N4O6,602.7,602.3104351,3.4,137,1020,0,3,6,11,44,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propanol, 1-phenoxy-3-((1-(2-propenyl)-1H-tetrazol-5-yl)thio)-",133506-58-8,3077109,1-phenoxy-3-(1-prop-2-enyltetrazol-5-yl)sulfanylpropan-2-ol,C=CCN1C(=NN=N1)SCC(COC2=CC=CC=C2)O,"InChI=1S/C13H16N4O2S/c1-2-8-17-13(14-15-16-17)20-10-11(18)9-19-12-6-4-3-5-7-12/h2-7,11,18H,1,8-10H2",WAHYTRGCVSDLIG-UHFFFAOYSA-N,C13H16N4O2S,292.36,292.0993969,2.2,98.4,290,0,1,6,8,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"beta-D-Galactopyranoside, (3-beta,5-beta,25S)-26-(beta-D-glucopyranosyloxy)-22-hydroxyfurostan-3-yl 2-O-beta-D-glucopyranosyl-",136656-07-0,44575945,"(2R,3R,4S,5S,6R)-2-[(2S)-4-[(1R,2S,4S,7S,8R,9S,12S,13S,16S,18R)-16-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol",C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@H]5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)OC1(CC[C@H](C)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O,"InChI=1S/C45H76O19/c1-19(18-58-40-37(55)34(52)31(49)27(15-46)60-40)7-12-45(57)20(2)30-26(64-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)59-42-39(36(54)33(51)29(17-48)62-42)63-41-38(56)35(53)32(50)28(16-47)61-41/h19-42,46-57H,5-18H2,1-4H3/t19-,20-,21+,22-,23+,24-,25-,26-,27+,28+,29+,30-,31+,32+,33-,34-,35-,36-,37+,38+,39+,40+,41-,42+,43-,44-,45?/m0/s1",SORUXVRKWOHYEO-FRUGGTEYSA-N,C45H76O19,921.1,920.4980802,0.7,307,1560,0,12,19,13,64,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Indole, 3-(((2R)-1-methyl-2-pyrrolidinyl)methyl)-5-(2-(phenylsulfonyl)ethyl)-",143322-58-1,77993,5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole,CN1CCC[C@@H]1CC2=CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4,"InChI=1S/C22H26N2O2S/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3/t19-/m1/s1",PWVXXGRKLHYWKM-LJQANCHMSA-N,C22H26N2O2S,382.5,382.1714993,4.1,61.6,582,0,1,3,6,27,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphonic acid, (2-(8,9-dioxo-2,6-diazabicyclo(5.2.0)non-1(7)-en-2-yl)ethyl)-",144912-63-0,6918236,"2-(8,9-dioxo-2,6-diazabicyclo[5.2.0]non-1(7)-en-2-yl)ethylphosphonic acid",C1CNC2=C(C(=O)C2=O)N(C1)CCP(=O)(O)O,"InChI=1S/C9H13N2O5P/c12-8-6-7(9(8)13)11(3-1-2-10-6)4-5-17(14,15)16/h10H,1-5H2,(H2,14,15,16)",BDABGOLMYNHHTR-UHFFFAOYSA-N,C9H13N2O5P,260.18,260.0562085,-1.6,107,452,0,3,7,3,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Spiro(pyrrolidine-3,4'(1'H)-pyrrolo(1,2-a)pyrazine)-1',2,3',5(2'H)-tetrone, 2'-((4-bromo-2-fluorophenyl)methyl)-, (3'R)-",147254-64-6,153948,"(3R)-2'-[(4-bromo-2-fluorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone",C1C(=O)NC(=O)[C@@]12C(=O)N(C(=O)C3=CC=CN23)CC4=C(C=C(C=C4)Br)F,"InChI=1S/C17H11BrFN3O4/c18-10-4-3-9(11(19)6-10)8-21-14(24)12-2-1-5-22(12)17(16(21)26)7-13(23)20-15(17)25/h1-6H,7-8H2,(H,20,23,25)/t17-/m1/s1",QCVNMNYRNIMDKV-QGZVFWFLSA-N,C17H11BrFN3O4,420.2,418.9917,1.3,88.5,689,0,1,5,2,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"6-Heptenoic acid, 7-(2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl)-3,5-dihydroxy-, (3R,5S,6E)-",147511-69-1,5282452,"(E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid",C1CC1C2=NC3=CC=CC=C3C(=C2/C=C/[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F,"InChI=1S/C25H24FNO4/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31)/b12-11+/t18-,19-/m1/s1",VGYFMXBACGZSIL-MCBHFWOFSA-N,C25H24FNO4,421.5,421.1689364,3.5,90.7,631,0,3,6,8,31,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"2-Cyclohexen-1-one, 2-(1-((((2E)-3-chloro-2-propenyl)oxy)imino)propyl)-3-hydroxy-5-(tetrahydro-2H-pyran-4-yl)-",149979-41-9,135585373,2-[(E)-N-[(E)-3-chloroprop-2-enoxy]-C-ethylcarbonimidoyl]-3-hydroxy-5-(oxan-4-yl)cyclohex-2-en-1-one,CC/C(=N\OC/C=C/Cl)/C1=C(CC(CC1=O)C2CCOCC2)O,"InChI=1S/C17H24ClNO4/c1-2-14(19-23-7-3-6-18)17-15(20)10-13(11-16(17)21)12-4-8-22-9-5-12/h3,6,12-13,20H,2,4-5,7-11H2,1H3/b6-3+,19-14+",IOYNQIMAUDJVEI-BMVIKAAMSA-N,C17H24ClNO4,341.8,341.1393859,2.6,68.1,507,0,1,5,6,23,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"4,17-Dioxabicyclo(14.1.0)heptadecane-5,9-dione, 7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-(1-methyl-2-(2-methyl-4-thiazolyl)ethenyl)-, (1S-(1R*,3R*(E),7R*,10S*,11R*,12R*,16S*))-",152044-54-7,448013,"(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione",C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C,"InChI=1S/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1",QXRSDHAAWVKZLJ-PVYNADRNSA-N,C27H41NO6S,507.7,507.2654592,4.2,137,815,0,2,8,2,35,,,0,1,0,1,0,0,1,1,0,0,1,0,0,1,0,0,1,1,1,1
"4(1H)-Quinazolinone, 2-amino-6-methyl-5-(4-pyridinylthio)-, dihydrochloride",152946-68-4,135409535,2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one;dihydrochloride,CC1=C(C2=C(C=C1)N=C(NC2=O)N)SC3=CC=NC=C3.Cl.Cl,"InChI=1S/C14H12N4OS.2ClH/c1-8-2-3-10-11(13(19)18-14(15)17-10)12(8)20-9-4-6-16-7-5-9;;/h2-7H,1H3,(H3,15,17,18,19);2*1H",PJKVJJYMWOCLIJ-UHFFFAOYSA-N,C14H14Cl2N4OS,357.3,356.0265376,,106,408,0,4,4,2,22,,,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0
"Pyrrolidine, 1-(((3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)methyl)sulfonyl)-",154323-57-6,123606,"N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine",CN(C)CCC1=CNC2=C1C=C(C=C2)CS(=O)(=O)N3CCCC3,"InChI=1S/C17H25N3O2S/c1-19(2)10-7-15-12-18-17-6-5-14(11-16(15)17)13-23(21,22)20-8-3-4-9-20/h5-6,11-12,18H,3-4,7-10,13H2,1-2H3",WKEMJKQOLOHJLZ-UHFFFAOYSA-N,C17H25N3O2S,335.5,335.1667482,1.6,64.8,483,0,1,4,6,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"1,3-Benzodioxole-5-acetic acid, alpha-(2-(4-methoxyphenyl)-2-oxo-1-((3,4,5-trimethoxyphenyl)methyl)ethylidene)-, sodium salt",162412-70-6,23670447,"sodium (Z)-2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-4-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]but-2-enoate",COC1=CC=C(C=C1)C(=O)/C(=C(/C2=CC3=C(C=C2)OCO3)\C(=O)[O-])/CC4=CC(=C(C(=C4)OC)OC)OC.[Na+],"InChI=1S/C28H26O9.Na/c1-32-19-8-5-17(6-9-19)26(29)20(11-16-12-23(33-2)27(35-4)24(13-16)34-3)25(28(30)31)18-7-10-21-22(14-18)37-15-36-21;/h5-10,12-14H,11,15H2,1-4H3,(H,30,31);/q;+1/p-1/b25-20-;",ZLHQEGFYBMZQGM-RKVLWQGQSA-M,C28H25NaO9,528.5,528.1396267,,113,811,0,0,9,10,38,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H-Benzimidazol-2-one, 1,3-dihydro-1-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-",167933-07-5,6918248,3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-benzimidazol-2-one,C1CN(CCN1CCN2C3=CC=CC=C3NC2=O)C4=CC=CC(=C4)C(F)(F)F,"InChI=1S/C20H21F3N4O/c21-20(22,23)15-4-3-5-16(14-15)26-11-8-25(9-12-26)10-13-27-18-7-2-1-6-17(18)24-19(27)28/h1-7,14H,8-13H2,(H,24,28)",PPRRDFIXUUSXRA-UHFFFAOYSA-N,C20H21F3N4O,390.4,390.1667458,3.3,38.8,550,0,1,6,4,28,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3H-1,2,4-Triazol-3-one, 5-(((2R,3S)-2-((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)-4-morpholinyl)methyl)-1,2-dihydro-",170729-80-3,135413536,"3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one",C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NNC(=O)N3)C4=CC=C(C=C4)F,"InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m1/s1",ATALOFNDEOCMKK-OITMNORJSA-N,C23H21F7N4O3,534.4,534.1501877,4.2,75.2,810,0,2,12,6,37,,,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,1,0
"2-Pyridinesulfonamide, N-(3-((1R)-1-((6R)-5,6-dihydro-4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-2H-pyran-3-yl)propyl)phenyl)-5-(trifluoromethyl)-",174484-41-4,54682461,N-[3-[(1R)-1-[(2R)-4-hydroxy-6-oxo-2-(2-phenylethyl)-2-propyl-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide,CCC[C@]1(CC(=C(C(=O)O1)[C@H](CC)C2=CC(=CC=C2)NS(=O)(=O)C3=NC=C(C=C3)C(F)(F)F)O)CCC4=CC=CC=C4,"InChI=1S/C31H33F3N2O5S/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34/h5-14,18,20,25,36-37H,3-4,15-17,19H2,1-2H3/t25-,30-/m1/s1",SUJUHGSWHZTSEU-FYBSXPHGSA-N,C31H33F3N2O5S,602.7,602.2062278,7,114,1050,0,2,10,11,42,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclopentanone, 2,5-bis(2-thienylmethylene)-, (2E,5E)-",176957-55-4,2314623,"(2E,5E)-2,5-bis(thiophen-2-ylmethylidene)cyclopentan-1-one",C1/C(=C\C2=CC=CS2)/C(=O)/C(=C/C3=CC=CS3)/C1,"InChI=1S/C15H12OS2/c16-15-11(9-13-3-1-7-17-13)5-6-12(15)10-14-4-2-8-18-14/h1-4,7-10H,5-6H2/b11-9+,12-10+",KPFZCKDPBMGECB-WGDLNXRISA-N,C15H12OS2,272.4,272.0329574,4,73.6,361,0,0,3,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Piperidineacetic acid, 1-(((3R,5S)-1-(3-acetoxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-1,2,3,5-tetrahydro-2-oxo-4,1-benzoxazepin-3-yl)acetyl)-",189060-13-7,9874248,"2-[1-[2-[(3R,5S)-1-(3-acetyloxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]piperidin-4-yl]acetic acid",CC(=O)OCC(C)(C)CN1C2=C(C=C(C=C2)Cl)[C@H](O[C@@H](C1=O)CC(=O)N3CCC(CC3)CC(=O)O)C4=C(C(=CC=C4)OC)OC,"InChI=1S/C33H41ClN2O9/c1-20(37)44-19-33(2,3)18-36-25-10-9-22(34)16-24(25)30(23-7-6-8-26(42-4)31(23)43-5)45-27(32(36)41)17-28(38)35-13-11-21(12-14-35)15-29(39)40/h6-10,16,21,27,30H,11-15,17-19H2,1-5H3,(H,39,40)/t27-,30-/m1/s1",CMLUGNQVANVZHY-POURPWNDSA-N,C33H41ClN2O9,645.1,644.2500586,3.8,132,1050,0,1,9,12,45,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5H-Benzo(d)naphth(2,1-b)azepin-12-ol, 11-chloro-6,6a,7,8,9,13b-hexahydro-7-methyl-, hydrochloride, (6aS,13bR)-",190133-94-9,170317,"(6aS,13bR)-11-chloro-7-methyl-5,6,6a,8,9,13b-hexahydronaphtho[1,2-a][3]benzazepin-12-ol;hydrochloride",CN1CCC2=CC(=C(C=C2[C@@H]3[C@@H]1CCC4=CC=CC=C34)O)Cl.Cl,"InChI=1S/C19H20ClNO.ClH/c1-21-9-8-13-10-16(20)18(22)11-15(13)19-14-5-3-2-4-12(14)6-7-17(19)21;/h2-5,10-11,17,19,22H,6-9H2,1H3;1H/t17-,19+;/m0./s1",APFMVAHRFWBCDG-JUOYHRLASA-N,C19H21Cl2NO,350.3,349.1000197,,23.5,403,0,2,2,0,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Carbamic acid, ((4-(((2-aminophenyl)amino)carbonyl)phenyl)methyl)-, 3-pyridinylmethyl ester",209783-80-2,4261,pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate,C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3,"InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)",INVTYAOGFAGBOE-UHFFFAOYSA-N,C21H20N4O3,376.4,376.1535405,2,106,508,0,3,5,7,28,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"1-Phthalazinamine, N-(4-chlorophenyl)-4-(4-pyridinylmethyl)-, butanedioate (1:1)",212142-18-2,151193,butanedioic acid;N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine,C1=CC=C2C(=C1)C(=NN=C2NC3=CC=C(C=C3)Cl)CC4=CC=NC=C4.C(CC(=O)O)C(=O)O,"InChI=1S/C20H15ClN4.C4H6O4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14;5-3(6)1-2-4(7)8/h1-12H,13H2,(H,23,25);1-2H2,(H,5,6)(H,7,8)",LLDWLPRYLVPDTG-UHFFFAOYSA-N,C24H21ClN4O4,464.9,464.1251329,,125,499,0,3,8,7,33,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Benzamide, 2-((((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)amino)-N,N-dimethyl-",213464-77-8,11091168,"2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-N,N-dimethylbenzamide",CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC,"InChI=1S/C16H20N6O6S/c1-22(2)14(23)10-7-5-6-8-11(10)20-29(25,26)21-16(24)19-15-17-12(27-3)9-13(18-15)28-4/h5-9,20H,1-4H3,(H2,17,18,19,21,24)",UCDPMNSCCRBWIC-UHFFFAOYSA-N,C16H20N6O6S,424.4,424.1165036,1.6,160,657,0,3,9,7,29,,Decomposes before boiling,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzamide, N-cyclopropyl-4-(((2-methoxybenzoyl)amino)sulfonyl)-",221667-31-8,11707647,N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide,COC1=CC=CC=C1C(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NC3CC3,"InChI=1S/C18H18N2O5S/c1-25-16-5-3-2-4-15(16)18(22)20-26(23,24)14-10-6-12(7-11-14)17(21)19-13-8-9-13/h2-7,10-11,13H,8-9H2,1H3,(H,19,21)(H,20,22)",OAWUUPVZMNKZRY-UHFFFAOYSA-N,C18H18N2O5S,374.4,374.0936429,2.1,110,618,0,2,5,6,26,,,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"D-Proline, 1,1'-(1,6-dioxo-1,6-hexanediyl)bis-",224624-80-0,125516,(2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxohexanoyl]pyrrolidine-2-carboxylic acid,C1C[C@@H](N(C1)C(=O)CCCCC(=O)N2CCC[C@@H]2C(=O)O)C(=O)O,"InChI=1S/C16H24N2O6/c19-13(17-9-3-5-11(17)15(21)22)7-1-2-8-14(20)18-10-4-6-12(18)16(23)24/h11-12H,1-10H2,(H,21,22)(H,23,24)/t11-,12-/m1/s1",HZLAWYIBLZNRFZ-VXGBXAGGSA-N,C16H24N2O6,340.37,340.1634365,0,115,475,0,2,6,7,24,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-Cyclohexene-1-carboxylic acid, 6-(((2-chloro-4-fluorophenyl)amino)sulfonyl)-, ethyl ester, (6R)-",243984-11-4,11703255,ethyl (6R)-6-[(2-chloro-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylate,CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)NC2=C(C=C(C=C2)F)Cl,"InChI=1S/C15H17ClFNO4S/c1-2-22-15(19)11-5-3-4-6-14(11)23(20,21)18-13-8-7-10(17)9-12(13)16/h5,7-9,14,18H,2-4,6H2,1H3/t14-/m1/s1",LEEIJTHMHDMWLJ-CQSZACIVSA-N,C15H17ClFNO4S,361.8,361.0550851,3,80.9,560,0,1,6,6,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Pyridinecarbonitrile, 6-((2-((4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyrimidinyl)amino)ethyl)amino)-",252917-06-9,9956119,"6-[2-[[4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethylamino]pyridine-3-carbonitrile",CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N,"InChI=1S/C22H18Cl2N8/c1-13-10-29-21(31-13)17-12-30-22(32-20(17)16-4-3-15(23)8-18(16)24)27-7-6-26-19-5-2-14(9-25)11-28-19/h2-5,8,10-12H,6-7H2,1H3,(H,26,28)(H,29,31)(H,27,30,32)",AQGNHMOJWBZFQQ-UHFFFAOYSA-N,C22H18Cl2N8,465.3,464.103148,4.3,115,645,0,3,7,7,32,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 3,4,9,10-tetrahydro-8,9,16-trihydroxy-14-methoxy-3-methyl-, (3S,5Z,8S,9S,11E)-",253863-19-3,9863776,"(4S,6Z,9S,10S,12E)-9,10,18-trihydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione",C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O,"InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,15,18,21-23H,5,8H2,1-2H3/b6-4+,7-3-/t11-,15-,18+/m0/s1",NEQZWEXWOFPKOT-BYRRXHGESA-N,C19H22O7,362.4,362.136553,2.6,113,556,0,3,7,1,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzonitrile, 4-((6-amino-5-bromo-2-((4-cyanophenyl)amino)-4-pyrimidinyl)oxy)-3,5-dimethyl-",269055-15-4,193962,"4-[6-amino-5-bromo-2-(4-cyanoanilino)pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile",CC1=CC(=CC(=C1OC2=NC(=NC(=C2Br)N)NC3=CC=C(C=C3)C#N)C)C#N,"InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)",PYGWGZALEOIKDF-UHFFFAOYSA-N,C20H15BrN6O,435.3,434.04907,4.5,121,609,0,2,7,4,28,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-7-(3-(4-morpholinyl)propoxy)-6-quinazolinyl)-, dihydrochloride",289499-45-2,156413,N-[4-(3-chloro-4-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enamide;dihydrochloride,C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4.Cl.Cl,"InChI=1S/C24H25ClFN5O3.2ClH/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16;;/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29);2*1H",JZZFDCXSFTVOJY-UHFFFAOYSA-N,C24H27Cl3FN5O3,558.9,557.116351,,88.6,671,0,4,8,9,36,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzeneacetamide, N,alpha,alpha-trimethyl-N-(4-(2-methylphenyl)-6-(4-methyl-1-piperazinyl)-3-pyridinyl)-3,5-bis(trifluoromethyl)-",290297-26-6,6451149,"2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide",CC1=CC=CC=C1C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCN(CC4)C,"InChI=1S/C30H32F6N4O/c1-19-8-6-7-9-23(19)24-17-26(40-12-10-38(4)11-13-40)37-18-25(24)39(5)27(41)28(2,3)20-14-21(29(31,32)33)16-22(15-20)30(34,35)36/h6-9,14-18H,10-13H2,1-5H3",WAXQNWCZJDTGBU-UHFFFAOYSA-N,C30H32F6N4O,578.6,578.2480306,6.8,39.7,865,0,0,10,5,41,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0
"Adenosine, 2-(4-((methylamino)carbonyl)-1H-pyrazol-1-yl)-",313348-27-5,219024,"1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N-methylpyrazole-4-carboxamide",CNC(=O)C1=CN(N=C1)C2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N,"InChI=1S/C15H18N8O5/c1-17-13(27)6-2-19-23(3-6)15-20-11(16)8-12(21-15)22(5-18-8)14-10(26)9(25)7(4-24)28-14/h2-3,5,7,9-10,14,24-26H,4H2,1H3,(H,17,27)(H2,16,20,21)/t7-,9-,10-,14-/m1/s1",LZPZPHGJDAGEJZ-AKAIJSEGSA-N,C15H18N8O5,390.35,390.1400157,-1.5,186,587,0,5,10,4,28,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Piperazineacetic acid, 4-(phenylmethyl)-, 2-((2-hydroxy-3-(2-propen-1-yl)phenyl)methylene)hydrazide",315183-21-2,135421197,2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide,C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O,"InChI=1S/C23H28N4O2/c1-2-7-20-10-6-11-21(23(20)29)16-24-25-22(28)18-27-14-12-26(13-15-27)17-19-8-4-3-5-9-19/h2-6,8-11,16,29H,1,7,12-15,17-18H2,(H,25,28)/b24-16+",YQNRVGJCPCNMKT-LFVJCYFKSA-N,C23H28N4O2,392.5,392.2212262,3.3,68.2,539,0,2,5,8,29,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, N-methyl-2-((3-((1E)-2-(2-pyridinyl)ethenyl)-1H-indazol-6-yl)thio)-",319460-85-0,6450551,N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide,CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4,"InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+",RITAVMQDGBJQJZ-FMIVXFBMSA-N,C22H18N4OS,386.5,386.1201324,4.2,96,557,0,2,4,5,28,,,1,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"2(5H)-Furanone, 5-((2S,3R,11S,14R,15S,18S,21S,23S,24Z,25aS,29aR)-2,3,4,6,7,8,9,10,11,12,13,14,16,17,19,20,21,22,23,25a,28,29-docosahydro-14,23-dihydroxy-2,3,14,24,26-pentamethyl-9-methylene-11,15:15,18:18,21-triepoxy-1H-benzo(2,3)cyclotricos(1,2-b)azepin-27-yl)-3-methyk-, (3S)-",334974-07-1,101136679,"2-[(10Z)-9,32-dihydroxy-10,13,19,20,32-pentamethyl-27-methylidene-33,34,35-trioxa-22-azahexacyclo[27.3.1.11,4.14,7.012,17.017,23]pentatriaconta-10,13,22-trien-14-yl]-4-methyl-2H-furan-5-one",CC1CC23CCC(=C(C2/C=C(\C(CC4CCC5(O4)CCC6(O5)C(CCC(O6)CC(=C)CCCC3=NCC1C)(C)O)O)/C)C)C7C=C(C(=O)O7)C,"InChI=1S/C42H61NO7/c1-25-9-8-10-37-40(23-28(4)29(5)24-43-37)15-13-33(36-21-27(3)38(45)47-36)30(6)34(40)20-26(2)35(44)22-32-12-16-41(48-32)17-18-42(50-41)39(7,46)14-11-31(19-25)49-42/h20-21,28-29,31-32,34-36,44,46H,1,8-19,22-24H2,2-7H3/b26-20-",TWYUDVVIPSUDIG-QOMWVZHYSA-N,C42H61NO7,691.9,691.4448033,4.6,107,1510,0,2,8,1,50,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Thiazolium, 4,5-dimethyl-3-(2-oxo-2-phenylethyl)-, chloride",341028-37-3,216306,"2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-phenylethanone chloride",CC1=C(SC=[N+]1CC(=O)C2=CC=CC=C2)C.[Cl-],"InChI=1S/C13H14NOS.ClH/c1-10-11(2)16-9-14(10)8-13(15)12-6-4-3-5-7-12;/h3-7,9H,8H2,1-2H3;1H/q+1;/p-1",MKOMESMZHZNBIZ-UHFFFAOYSA-M,C13H14ClNOS,267.77,267.0484629,,49.2,250,0,0,3,3,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hydrazinecarboxamide, N-(2,6-dichloro-4-pyridinyl)-2-(1,3-dimethyl-4-(1-methylethyl)-1H-pyrazolo(3,4-b)pyridin-6-yl)-",383150-41-2,10223146,"1-(2,6-dichloro-4-pyridinyl)-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)amino]urea",CC1=NN(C2=C1C(=CC(=N2)NNC(=O)NC3=CC(=NC(=C3)Cl)Cl)C(C)C)C,"InChI=1S/C17H19Cl2N7O/c1-8(2)11-7-14(22-16-15(11)9(3)25-26(16)4)23-24-17(27)20-10-5-12(18)21-13(19)6-10/h5-8H,1-4H3,(H,22,23)(H2,20,21,24,27)",RNSLRQNDXRSASX-UHFFFAOYSA-N,C17H19Cl2N7O,408.3,407.1028136,4.4,96.8,516,0,3,5,4,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Piperazinecarboxamide, 4-(3-chloro-2-pyridinyl)-N-(4-(1,1-dimethylethyl)phenyl)-",393514-24-4,9929425,N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide,CC(C)(C)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=C(C=CC=N3)Cl,"InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)",ROGUAPYLUCHQGK-UHFFFAOYSA-N,C20H25ClN4O,372.9,372.1716891,4.3,48.5,465,0,1,3,3,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenesulfonamide, N-(((2-(4-(2-ethyl-4,6-dimethyl-1H-imidazo(4,5-c)pyridin-1-yl)phenyl)ethyl)amino)carbonyl)-4-methyl-",415903-37-6,11677589,"1-[2-[4-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea",CCC1=NC2=C(N1C3=CC=C(C=C3)CCNC(=O)NS(=O)(=O)C4=CC=C(C=C4)C)C=C(N=C2C)C,"InChI=1S/C26H29N5O3S/c1-5-24-29-25-19(4)28-18(3)16-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)30-35(33,34)22-12-6-17(2)7-13-22/h6-13,16H,5,14-15H2,1-4H3,(H2,27,30,32)",HZVLFTCYCLXTGV-UHFFFAOYSA-N,C26H29N5O3S,491.6,491.199111,4.6,114,802,0,2,5,7,35,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Geldanamycin, 17-demethoxy-17-((2-dimethylaminoethyl)amino)-",467214-20-6,5288674,"[(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-[2-(dimethylamino)ethylamino]-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate",C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN(C)C)/C)OC)OC(=O)N)\C)C)O)OC,"InChI=1S/C32H48N4O8/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8/h9-11,16-18,20,25-26,28,30,34,38H,12-15H2,1-8H3,(H2,33,41)(H,35,40)/b11-9-,19-10+,21-16+/t18-,20+,25+,26+,28-,30+/m1/s1",KUFRQPKVAWMTJO-LMZWQJSESA-N,C32H48N4O8,616.7,616.3472145,2,170,1230,0,4,10,8,44,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-Propanediol, 2-amino-2-(2-(2-chloro-4-((3-(phenylmethoxy)phenyl)thio)phenyl)ethyl)-, hydrochloride",509088-69-1,11155873,"2-amino-2-[2-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]ethyl]propane-1,3-diol;hydrochloride",C1=CC=C(C=C1)COC2=CC(=CC=C2)SC3=CC(=C(C=C3)CCC(CO)(CO)N)Cl.Cl,"InChI=1S/C24H26ClNO3S.ClH/c25-23-14-22(10-9-19(23)11-12-24(26,16-27)17-28)30-21-8-4-7-20(13-21)29-15-18-5-2-1-3-6-18;/h1-10,13-14,27-28H,11-12,15-17,26H2;1H",MYIFLDFUXIHOCJ-UHFFFAOYSA-N,C24H27Cl2NO3S,480.4,479.1088703,,101,487,0,4,5,10,31,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Piperazinone, 4-((4,5-bis(4-chlorophenyl)-4,5-dihydro-2-(4-methoxy-2-(1-methylethoxy)phenyl)-1H-imidazol-1-yl)carbonyl)-",548472-68-0,11433190,"4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one",CC(C)OC1=C(C=CC(=C1)OC)C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl,"InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1",BDUHCSBCVGXTJM-WUFINQPMSA-N,C30H30Cl2N4O4,581.5,580.1644108,5.2,83.5,919,0,1,5,6,40,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrido(2,3-d)pyrimidin-7(8H)-one, 6-acetyl-8-cyclopentyl-5-methyl-2-((5-(1-piperazinyl)-2-pyridinyl)amino)-",571190-30-2,5330286,"6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one",CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C,"InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)",AHJRHEGDXFFMBM-UHFFFAOYSA-N,C24H29N7O2,447.5,447.2382732,1.8,103,775,0,2,8,5,33,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4(3H)-Quinazolinone, 2-(1-(4-(2-(4-chlorophenoxy)acetyl)-1-piperazinyl)ethyl)-3-(2-ethoxyphenyl)-",571203-78-6,11214940,2-[1-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one,CCOC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2C(C)N4CCN(CC4)C(=O)COC5=CC=C(C=C5)Cl,"InChI=1S/C30H31ClN4O4/c1-3-38-27-11-7-6-10-26(27)35-29(32-25-9-5-4-8-24(25)30(35)37)21(2)33-16-18-34(19-17-33)28(36)20-39-23-14-12-22(31)13-15-23/h4-15,21H,3,16-20H2,1-2H3",BKQFRNYHFIQEKN-UHFFFAOYSA-N,C30H31ClN4O4,547,546.2033832,4.8,74.7,871,0,0,6,8,39,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Quinolinecarboxylic acid, 6-((3-chloro-2-fluorophenyl)methyl)-1,4-dihydro-1-((1S)-1-(hydroxymethyl)-2-methylpropyl)-7-methoxy-4-oxo-",697761-98-1,5277135,6-[(3-chloro-2-fluorophenyl)methyl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid,CC(C)[C@@H](CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O,"InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1",JUZYLCPPVHEVSV-LJQANCHMSA-N,C23H23ClFNO5,447.9,447.1248787,5.3,87.1,701,0,2,7,7,31,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propenamide, 3-(4-((2,4-bis(trifluoromethyl)phenyl)methoxy)-3-methoxyphenyl)-2-cyano-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)-, (2E)-",725247-18-7,6918788,"(E)-3-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-cyano-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide",COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=NN=C(S2)C(F)(F)F)OCC3=C(C=C(C=C3)C(F)(F)F)C(F)(F)F,"InChI=1S/C23H13F9N4O3S/c1-38-17-7-11(6-13(9-33)18(37)34-20-36-35-19(40-20)23(30,31)32)2-5-16(17)39-10-12-3-4-14(21(24,25)26)8-15(12)22(27,28)29/h2-8H,10H2,1H3,(H,34,36,37)/b13-6+",HQFNFOOGGLSBBT-AWNIVKPZSA-N,C23H13F9N4O3S,596.4,596.0564649,6.6,125,966,0,1,16,7,40,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzonitrile, 2-((6-((3R)-3-amino-1-piperidinyl)-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl)methyl)-",850649-61-5,11450633,"2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile",CN1C(=O)C=C(N(C1=O)CC2=CC=CC=C2C#N)N3CCC[C@H](C3)N,"InChI=1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1",ZSBOMTDTBDDKMP-OAHLLOKOSA-N,C18H21N5O2,339.4,339.1695249,0.6,93.7,622,0,1,5,3,25,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, ((5-bromo-4-(4-cyclopropyl-1-naphthalenyl)-4H-1,2,4-triazol-3-yl)thio)-",878672-00-5,53465279,"2-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid",C1CC1C2=CC=C(C3=CC=CC=C23)N4C(=NN=C4Br)SCC(=O)O,"InChI=1S/C17H14BrN3O2S/c18-16-19-20-17(24-9-15(22)23)21(16)14-8-7-11(10-5-6-10)12-3-1-2-4-13(12)14/h1-4,7-8,10H,5-6,9H2,(H,22,23)",FGQFOYHRJSUHMR-UHFFFAOYSA-N,C17H14BrN3O2S,404.3,402.99901,4.7,93.3,479,0,1,5,5,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzamide, 4-(7-(6-cyano-5-(trifluoromethyl)-3-pyridinyl)-8-oxo-6-thioxo-5,7-diazaspiro(3.4)oct-5-yl)-2-fluoro-N-methyl-",956104-40-8,24872560,"4-[7-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide",CNC(=O)C1=C(C=C(C=C1)N2C(=S)N(C(=O)C23CCC3)C4=CC(=C(N=C4)C#N)C(F)(F)F)F,"InChI=1S/C21H15F4N5O2S/c1-27-17(31)13-4-3-11(8-15(13)22)30-19(33)29(18(32)20(30)5-2-6-20)12-7-14(21(23,24)25)16(9-26)28-10-12/h3-4,7-8,10H,2,5-6H2,1H3,(H,27,31)",HJBWBFZLDZWPHF-UHFFFAOYSA-N,C21H15F4N5O2S,477.4,477.0882586,3,121,886,0,1,9,3,33,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"4-Piperidinone, 3,5-bis((4-nitrophenyl)methylene)-1-(1-oxo-2-propenyl)-",1009817-63-3,5351435,"(3E,5E)-3,5-bis[(4-nitrophenyl)methylidene]-1-prop-2-enoylpiperidin-4-one",C=CC(=O)N1C/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)/C(=C/C3=CC=C(C=C3)[N+](=O)[O-])/C1,"InChI=1S/C22H17N3O6/c1-2-21(26)23-13-17(11-15-3-7-19(8-4-15)24(28)29)22(27)18(14-23)12-16-5-9-20(10-6-16)25(30)31/h2-12H,1,13-14H2/b17-11+,18-12+",GFARQYQBWJLZMW-JYFOCSDGSA-N,C22H17N3O6,419.4,419.1117353,3.3,129,750,0,0,6,3,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,2-Pyrrolidinedicarboxamide, N1-(4-methyl-5-(2-(2,2,2-trifluoro-1,1-dimethylethyl)-4-pyridinyl)-2-thiazolyl)-, (2S)-",1217486-61-7,56649450,"(2S)-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide",CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F,"InChI=1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1",STUWGJZDJHPWGZ-LBPRGKRZSA-N,C19H22F3N5O2S,441.5,441.1446306,3.2,129,663,0,2,8,4,30,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,1,0
"Ethanone, 1-(4-(2-(4-(1-(7,8-dihydro-3-(trifluoromethyl)-1,2,4-triazolo(4,3-b)pyridazin-6-yl)-4-piperidinyl)phenoxy)ethyl)-1-piperazinyl)-",1240299-33-5,46893585,"1-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]ethyl]piperazin-1-yl]ethanone",CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4,"InChI=1S/C25H32F3N7O2/c1-18(36)33-14-12-32(13-15-33)16-17-37-21-4-2-19(3-5-21)20-8-10-34(11-9-20)23-7-6-22-29-30-24(25(26,27)28)35(22)31-23/h2-5,20H,6-17H2,1H3",JMEYDSHPKCSIJC-UHFFFAOYSA-N,C25H32F3N7O2,519.6,519.2569578,1.7,79.1,805,0,0,9,6,37,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Benzimidazole-5-carboxylic acid, 2-(benzoylamino)-1-(3-phenylpropyl)-, methyl ester",1374601-40-7,72193870,methyl 2-benzamido-1-(3-phenylpropyl)benzimidazole-5-carboxylate,COC(=O)C1=CC2=C(C=C1)N(C(=N2)NC(=O)C3=CC=CC=C3)CCCC4=CC=CC=C4,"InChI=1S/C25H23N3O3/c1-31-24(30)20-14-15-22-21(17-20)26-25(27-23(29)19-12-6-3-7-13-19)28(22)16-8-11-18-9-4-2-5-10-18/h2-7,9-10,12-15,17H,8,11,16H2,1H3,(H,26,27,29)",UCGWYCMPZXDHNR-UHFFFAOYSA-N,C25H23N3O3,413.5,413.1739416,4.7,73.2,601,0,1,4,8,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Barbituric acid, 5-(4-biphenylyl)-5-ethyl-",,2220392,"5-ethyl-5-(4-phenylphenyl)-1,3-diazinane-2,4,6-trione",CCC1(C(=O)NC(=O)NC1=O)C2=CC=C(C=C2)C3=CC=CC=C3,"InChI=1S/C18H16N2O3/c1-2-18(15(21)19-17(23)20-16(18)22)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H2,19,20,21,22,23)",XWZIZWWEAJZAMO-UHFFFAOYSA-N,C18H16N2O3,308.3,308.1160924,3.1,75.3,468,0,2,3,3,23,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclobutene, 4-((1Z)-2,6-dimethyl-1,5-heptadienyl)-1-methyl-",,69972,cyclobutene,C1CC=C1,"InChI=1S/C4H6/c1-2-4-3-1/h1-2H,3-4H2",CFBGXYDUODCMNS-UHFFFAOYSA-N,C4H6,54.09,54.04695019,1.8,0,29,0,0,0,0,4,,,0,0,0,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,1,0
"1,3-Diazaspiro(4.6)undecane-2,4-dione",,229298,"1,3-diazaspiro[4.6]undecane-2,4-dione",C1CCCC2(CC1)C(=O)NC(=O)N2,"InChI=1S/C9H14N2O2/c12-7-9(11-8(13)10-7)5-3-1-2-4-6-9/h1-6H2,(H2,10,11,12,13)",DEXMKKYRTKSOCW-UHFFFAOYSA-N,C9H14N2O2,182.22,182.1055277,1.1,58.2,242,0,2,2,0,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1-Heptanone, 7-phenyl-1-(5-(2-pyridinyl)-2-oxazolyl)-",,10427006,"7-phenyl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one",C1=CC=C(C=C1)CCCCCCC(=O)C2=NC=C(O2)C3=CC=CC=N3,"InChI=1S/C21H22N2O2/c24-19(14-7-2-1-4-10-17-11-5-3-6-12-17)21-23-16-20(25-21)18-13-8-9-15-22-18/h3,5-6,8-9,11-13,15-16H,1-2,4,7,10,14H2",ILOIOIGZFHGSMS-UHFFFAOYSA-N,C21H22N2O2,334.4,334.1681279,4.9,56,395,0,0,4,9,25,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,4-Naphthalenedione, 2-(phenylamino)-",,81124,"2-anilinonaphthalene-1,4-dione",C1=CC=C(C=C1)NC2=CC(=O)C3=CC=CC=C3C2=O,"InChI=1S/C16H11NO2/c18-15-10-14(17-11-6-2-1-3-7-11)16(19)13-9-5-4-8-12(13)15/h1-10,17H",OPECBHGHSFBITB-UHFFFAOYSA-N,C16H11NO2,249.26,249.0789786,2.8,46.2,407,0,1,3,2,19,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Oxalic acid, bis(2-phenylhydrazide)",,221850,"1-N',2-N'-diphenylethanedihydrazide",C1=CC=C(C=C1)NNC(=O)C(=O)NNC2=CC=CC=C2,"InChI=1S/C14H14N4O2/c19-13(17-15-11-7-3-1-4-8-11)14(20)18-16-12-9-5-2-6-10-12/h1-10,15-16H,(H,17,19)(H,18,20)",KNYRBAZKFQHSLZ-UHFFFAOYSA-N,C14H14N4O2,270.29,270.1116757,4.1,82.3,291,0,4,4,4,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Piperazine, 1,4-bis(thiobenzoyl)-",,578531,[4-(benzenecarbonothioyl)piperazin-1-yl]-phenylmethanethione,C1CN(CCN1C(=S)C2=CC=CC=C2)C(=S)C3=CC=CC=C3,"InChI=1S/C18H18N2S2/c21-17(15-7-3-1-4-8-15)19-11-13-20(14-12-19)18(22)16-9-5-2-6-10-16/h1-10H,11-14H2",UAECCVTYKLPSEX-UHFFFAOYSA-N,C18H18N2S2,326.5,326.0911409,3.5,70.7,352,0,0,2,2,22,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperidine, 1-(3-(3-(4-chlorophenyl)propoxy)propyl)-, hydrochloride",,11551689,1-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine;hydrochloride,C1CCN(CC1)CCCOCCCC2=CC=C(C=C2)Cl.Cl,"InChI=1S/C17H26ClNO.ClH/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19;/h7-10H,1-6,11-15H2;1H",XLFKECRRMPOAQS-UHFFFAOYSA-N,C17H27Cl2NO,332.3,331.1469699,,12.5,235,0,1,2,8,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"2-Pyridinamine, 5-(2,6-di-4-morpholinyl-4-pyrimidinyl)-4-(trifluoromethyl)-",,16654980,"5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine",C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4,"InChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23)",CWHUFRVAEUJCEF-UHFFFAOYSA-N,C18H21F3N6O2,410.4,410.1678084,1.5,89.6,530,0,1,11,3,29,,,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0
SD 208,,10316032,2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine,C1=CC(=C(C=C1Cl)C2=NC3=NC=CN=C3C(=N2)NC4=CC=NC=C4)F,"InChI=1S/C17H10ClFN6/c18-10-1-2-13(19)12(9-10)15-24-16-14(21-7-8-22-16)17(25-15)23-11-3-5-20-6-4-11/h1-9H,(H,20,22,23,24,25)",BERLXWPRSBJFHO-UHFFFAOYSA-N,C17H10ClFN6,352.8,352.0639502,3,76.5,437,0,1,7,3,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cephalotaxine, 4-methyl-, 2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate (ester), (3(R))-",26833-85-2,276389,"1-O-[(2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-O-methyl (2R)-2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate",CC(C)(CC[C@@](CC(=O)OC)(C(=O)O[C@H]1[C@H]2C3=CC4=C(C=C3CCN5[C@@]2(CCC5)C=C1OC)OCO4)O)O,"InChI=1S/C28H37NO9/c1-26(2,32)8-9-28(33,15-22(30)35-4)25(31)38-24-21(34-3)14-27-7-5-10-29(27)11-6-17-12-19-20(37-16-36-19)13-18(17)23(24)27/h12-14,23-24,32-33H,5-11,15-16H2,1-4H3/t23-,24-,27+,28-/m1/s1",HAVJATCHLFRDHY-KSZYUSJVSA-N,C28H37NO9,531.6,531.2468318,0.5,124,953,0,2,10,10,38,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHYSOSTIGMINE, SALICYLATE (1:1)",000057-64-7,657348,"[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate;2-hydroxybenzoic acid",C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)OC(=O)NC)C)C.C1=CC=C(C(=C1)C(=O)O)O,"InChI=1S/C15H21N3O2.C7H6O3/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2;8-6-4-2-1-3-5(6)7(9)10/h5-6,9,13H,7-8H2,1-4H3,(H,16,19);1-4,8H,(H,9,10)/t13-,15+;/m1./s1",HZOTZTANVBDFOF-PBCQUBLHSA-N,C22H27N3O5,413.5,413.195071,,102,535,0,3,7,3,30,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
HEXAPHENYLDILEAD,003124-01-4,6327846,,C1=CC=C(C=C1)[Pb](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[Pb](C2=CC=CC=C2)C3=CC=CC=C3,InChI=1S/6C6H5.2Pb/c6*1-2-4-6-5-3-1;;/h6*1-5H;;,SOLOHWWGJALNFO-UHFFFAOYSA-N,C36H30Pb2,880,878.18805,,0,457,0,0,0,6,38,,,1,1,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"5-(N,N-HEXAMETHYLENE)AMILORIDE",001428-95-1,1794,3-amino-5-(azepan-1-yl)-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide,C1CCCN(CC1)C2=NC(=C(N=C2Cl)C(=O)N=C(N)N)N,"InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)",RQQJJXVETXFINY-UHFFFAOYSA-N,C12H18ClN7O,311.77,311.1261359,1.3,137,393,0,3,5,2,21,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphine oxide, tris(2-methyl-1-aziridinyl)-",000057-39-6,60976,1-bis(2-methylaziridin-1-yl)phosphoryl-2-methylaziridine,CC1CN1P(=O)(N2CC2C)N3CC3C,"InChI=1S/C9H18N3OP/c1-7-4-10(7)14(13,11-5-8(11)2)12-6-9(12)3/h7-9H,4-6H2,1-3H3",AVUYXHYHTTVPRX-UHFFFAOYSA-N,C9H18N3OP,215.23,215.1187492,0.7,26.1,274,0,0,4,3,14,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pentanoic acid, 5-(hexahydro-5-hydroxy-4-(3-hydroxy-4-methyl-1-octen-6-ynyl)-2",078919-13-8,5311181,"(5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid",CC#CCC(C)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)O,"InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,20+,21+/m0/s1",HIFJCPQKFCZDDL-ACWOEMLNSA-N,C22H32O4,360.5,360.2300595,2.8,77.8,606,0,3,4,8,26,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
1-IMINO-1H-ISOINDOL-3-AMINE,003468-11-9,18980,3-iminoisoindol-1-amine,C1=CC=C2C(=C1)C(=NC2=N)N,"InChI=1S/C8H7N3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H,(H3,9,10,11)",RZVCEPSDYHAHLX-UHFFFAOYSA-N,C8H7N3,145.16,145.0639972,0.5,62.2,219,0,2,1,0,11,,,0,1,0,1,0,1,1,1,0,0,0,0,0,0,0,0,1,1,0,1
N6-BENZOYL-ADENOSINE,004546-55-8,11728391,"N-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide",C1=CC=C(C=C1)C(=O)NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O,"InChI=1S/C17H17N5O5/c23-6-10-12(24)13(25)17(27-10)22-8-20-11-14(18-7-19-15(11)22)21-16(26)9-4-2-1-3-5-9/h1-5,7-8,10,12-13,17,23-25H,6H2,(H,18,19,21,26)/t10-,12-,13-,17-/m1/s1",NZDWTKFDAUOODA-CNEMSGBDSA-N,C17H17N5O5,371.3,371.1229687,-0.1,143,534,0,4,8,4,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"IMIDAZO[1,5-A]PYRIDINE",000274-47-5,274090,"imidazo[1,5-a]pyridine",C1=CC2=CN=CN2C=C1,InChI=1S/C7H6N2/c1-2-4-9-6-8-5-7(9)3-1/h1-6H,JMANUKZDKDKBJP-UHFFFAOYSA-N,C7H6N2,118.14,118.0530982,1.8,17.3,103,0,0,1,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-((2-PYRIDYLCARBONYL) METHYL)PYRIDINIUM IODIDE,026482-00-8,213499,2-pyridin-1-ium-1-yl-1-pyridin-2-ylethanone iodide,C1=CC=[N+](C=C1)CC(=O)C2=CC=CC=N2.[I-],"InChI=1S/C12H11N2O.HI/c15-12(11-6-2-3-7-13-11)10-14-8-4-1-5-9-14;/h1-9H,10H2;1H/q+1;/p-1",BWAWQRQYQUSQEV-UHFFFAOYSA-M,C12H11IN2O,326.13,325.99161,,33.8,212,0,0,3,3,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONOTHIOIC ACID, S-PHENYL ESTER",001212-08-4,71031,benzenesulfonylsulfanylbenzene,C1=CC=C(C=C1)SS(=O)(=O)C2=CC=CC=C2,"InChI=1S/C12H10O2S2/c13-16(14,12-9-5-2-6-10-12)15-11-7-3-1-4-8-11/h1-10H",ATKJLMWDXASAJA-UHFFFAOYSA-N,C12H10O2S2,250.3,250.0122219,3.2,67.8,293,0,0,3,3,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZO[1,2-B:3,4-B':5,6-B ']TRITHIOPHENE-2,5,8-TRICARBALDEHYDE",2243590-42-1,145711368,"3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7(11),9,14-hexaene-4,9,14-tricarbaldehyde",C1=C(SC2=C1C3=C(C=C(S3)C=O)C4=C2C=C(S4)C=O)C=O,InChI=1S/C15H6O3S3/c16-4-7-1-10-13(19-7)11-3-9(6-18)21-15(11)12-2-8(5-17)20-14(10)12/h1-6H,VANOLPNZHSSDOC-UHFFFAOYSA-N,C15H6O3S3,330.4,329.9479076,4.4,136,399,0,0,6,3,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4(1H,3H)-PTERIDINEDIONE",000487-21-8,10250,"1H-pteridine-2,4-dione",C1=CN=C2C(=N1)C(=O)NC(=O)N2,"InChI=1S/C6H4N4O2/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1-2H,(H2,8,9,10,11,12)",UYEUUXMDVNYCAM-UHFFFAOYSA-N,C6H4N4O2,164.12,164.0334254,-1,84,230,0,2,4,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2H-PYRAN-2,4(3H)-DIONE, 3-ACETYL-6-METHYL-, ION(1-), SODIUM",004418-26-2,23721629,"sodium 3-acetyl-6-methylpyran-3-ide-2,4-dione",CC1=CC(=O)[C-](C(=O)O1)C(=O)C.[Na+],"InChI=1S/C8H7O4.Na/c1-4-3-6(10)7(5(2)9)8(11)12-4;/h3H,1-2H3;/q-1;+1",YIOCQGHBBNGBND-UHFFFAOYSA-N,C8H7NaO4,190.13,190.024203,,60.4,293,0,0,5,1,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Securinine, (-)-",005610-40-2,442872,"(1S,2R,8S)-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one",C1CCN2[C@H](C1)[C@]34C[C@H]2C=CC3=CC(=O)O4,"InChI=1S/C13H15NO2/c15-12-7-9-4-5-10-8-13(9,16-12)11-3-1-2-6-14(10)11/h4-5,7,10-11H,1-3,6,8H2/t10-,11-,13+/m1/s1",SWZMSZQQJRKFBP-WZRBSPASSA-N,C13H15NO2,217.26,217.1102787,1.1,29.5,426,0,0,3,0,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-BENZIMIDAZOLIUM, 2-[7-(DIETHYLAMINO)-2-OXO-2H-1-BENZOPYRAN-3-YL]-1,3-DIMETH",029556-33-0,169053,"7-(diethylamino)-3-(1,3-dimethylbenzimidazol-3-ium-2-yl)chromen-2-one chloride",CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=[N+](C4=CC=CC=C4N3C)C.[Cl-],"InChI=1S/C22H24N3O2.ClH/c1-5-25(6-2)16-12-11-15-13-17(22(26)27-20(15)14-16)21-23(3)18-9-7-8-10-19(18)24(21)4;/h7-14H,5-6H2,1-4H3;1H/q+1;/p-1",LCVNGSHJQQOSDB-UHFFFAOYSA-M,C22H24ClN3O2,397.9,397.1557047,,38.4,570,0,0,4,4,28,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Uracil, 1,3-dimethyl-6-(3-(4-(o-methoxyphenyl)-1-piperazinyl)proppylamino)-",034661-75-1,5639,"6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dione",CN1C(=CC(=O)N(C1=O)C)NCCCN2CCN(CC2)C3=CC=CC=C3OC,"InChI=1S/C20H29N5O3/c1-22-18(15-19(26)23(2)20(22)27)21-9-6-10-24-11-13-25(14-12-24)16-7-4-5-8-17(16)28-3/h4-5,7-8,15,21H,6,9-14H2,1-3H3",ICMGLRUYEQNHPF-UHFFFAOYSA-N,C20H29N5O3,387.5,387.2270398,1.5,68.4,588,0,1,6,7,28,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4H-Thiazolo(4,5-d)azepin-2-amine, 5,6,7,8-tetrahydro-6-(2-propenyl)-, dihydroc",036085-73-1,104870,"6-prop-2-enyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine;dihydrochloride",C=CCN1CCC2=C(CC1)SC(=N2)N.Cl.Cl,"InChI=1S/C10H15N3S.2ClH/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8;;/h2H,1,3-7H2,(H2,11,12);2*1H",DPQAXNSOFFYKDS-UHFFFAOYSA-N,C10H17Cl2N3S,282.2,281.0520241,,70.4,210,0,3,4,2,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,4-TRIAZOLO[3,4-B]BENZOTHIAZOLE, 5-METHYL-",041814-78-2,39040,"8-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole",CC1=C2C(=CC=C1)SC3=NN=CN23,"InChI=1S/C9H7N3S/c1-6-3-2-4-7-8(6)12-5-10-11-9(12)13-7/h2-5H,1H3",DQJCHOQLCLEDLL-UHFFFAOYSA-N,C9H7N3S,189.24,189.0360684,1.7,58.4,211,0,0,3,0,13,,275.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-Pyrrolidinedicarboxylic acid, 1-benzyl ester, L-",001148-11-4,101987,(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid,C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)O,"InChI=1S/C13H15NO4/c15-12(16)11-7-4-8-14(11)13(17)18-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,15,16)/t11-/m0/s1",JXGVXCZADZNAMJ-NSHDSACASA-N,C13H15NO4,249.26,249.100108,1.7,66.8,312,0,1,4,4,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"3-PYRIDINECARBOXYLIC ACID, PHENYL ESTER",003468-53-9,77018,phenyl pyridine-3-carboxylate,C1=CC=C(C=C1)OC(=O)C2=CN=CC=C2,InChI=1S/C12H9NO2/c14-12(10-5-4-8-13-9-10)15-11-6-2-1-3-7-11/h1-9H,QEJPOSAIULNDLU-UHFFFAOYSA-N,C12H9NO2,199.2,199.0633285,2.4,39.2,212,0,0,3,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
DIPHENIC ANHYDRIDE,006050-13-1,72794,"benzo[d][2]benzoxepine-5,7-dione",C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)OC2=O,InChI=1S/C14H8O3/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(16)17-13/h1-8H,RTSGJTANVBJFFJ-UHFFFAOYSA-N,C14H8O3,224.21,224.0473441,2.8,43.4,304,0,0,3,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DICYCLOHEXYL ADIPATE,000849-99-0,13321,dicyclohexyl hexanedioate,C1CCC(CC1)OC(=O)CCCCC(=O)OC2CCCCC2,"InChI=1S/C18H30O4/c19-17(21-15-9-3-1-4-10-15)13-7-8-14-18(20)22-16-11-5-2-6-12-16/h15-16H,1-14H2",UTGUHFOMNVLJSL-UHFFFAOYSA-N,C18H30O4,310.4,310.2144094,4.2,52.6,307,0,0,4,9,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRANS-4-[4-(DIMETHYLAMINO)STYRYL]-1-METHYLPYRIDINIUM IODIDE,000959-81-9,5333955,"N,N-dimethyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline iodide",C[N+]1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)N(C)C.[I-],"InChI=1S/C16H19N2.HI/c1-17(2)16-8-6-14(7-9-16)4-5-15-10-12-18(3)13-11-15;/h4-13H,1-3H3;1H/q+1;/p-1",UJNFDSOJKNOBIA-UHFFFAOYSA-M,C16H19IN2,366.24,366.0593,,7.1,256,0,0,2,3,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DEHYDROCHOLIC ACID,000081-23-2,6674,"(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid",C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CCC(=O)C4)C)C,"InChI=1S/C24H34O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29)/t13-,14+,16-,17+,18+,22+,23+,24-/m1/s1",OHXPGWPVLFPUSM-KLRNGDHRSA-N,C24H34O5,402.5,402.2406242,2.6,88.5,756,0,1,5,4,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4,9,10-PERYLENETETRACARBOXYLIC 3,4:9,10-DIANHYDRIDE",000128-69-8,67191,"7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone",C1=CC2=C3C(=CC=C4C3=C1C5=C6C4=CC=C7C6=C(C=C5)C(=O)OC7=O)C(=O)OC2=O,InChI=1S/C24H8O6/c25-21-13-5-1-9-10-2-6-15-20-16(24(28)30-23(15)27)8-4-12(18(10)20)11-3-7-14(22(26)29-21)19(13)17(9)11/h1-8H,CLYVDMAATCIVBF-UHFFFAOYSA-N,C24H8O6,392.3,392.032088,4.5,86.7,730,0,0,6,0,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TRIS[2-(4,6-DIFLUOROPHENYL)PYRIDINATO-C2,N]IRIDIUM (III)",387859-70-3,11491171,"tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium(3+)",C1=CC=NC(=C1)C2=C(C=C(C=[C-]2)F)F.C1=CC=NC(=C1)C2=C(C=C(C=[C-]2)F)F.C1=CC=NC(=C1)C2=C(C=C(C=[C-]2)F)F.[Ir+3],"InChI=1S/3C11H6F2N.Ir/c3*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;/h3*1-4,6-7H;/q3*-1;+3",GJHHESUUYZNNGV-UHFFFAOYSA-N,C33H18F6IrN3,762.7,763.10342,,38.7,1100,0,0,12,3,43,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,8-(DIPHENYLPHOSPHINO)NAPHTHALENE",153725-04-3,2756729,(8-diphenylphosphanylnaphthalen-1-yl)-diphenylphosphane,C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC4=C3C(=CC=C4)P(C5=CC=CC=C5)C6=CC=CC=C6,InChI=1S/C34H26P2/c1-5-17-28(18-6-1)35(29-19-7-2-8-20-29)32-25-13-15-27-16-14-26-33(34(27)32)36(30-21-9-3-10-22-30)31-23-11-4-12-24-31/h1-26H,QOXZKPURCFVBRR-UHFFFAOYSA-N,C34H26P2,496.5,496.1509748,8.5,0,548,0,0,0,6,36,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POTASSIUM TETRAKIS(2-THIENYL)BORATE,184362-33-2,23675522,potassium tetrathiophen-2-ylboranuide,[B-](C1=CC=CS1)(C2=CC=CS2)(C3=CC=CS3)C4=CC=CS4.[K+],"InChI=1S/C16H12BS4.K/c1-5-13(18-9-1)17(14-6-2-10-19-14,15-7-3-11-20-15)16-8-4-12-21-16;/h1-12H;/q-1;+1",HNYWOQMQXVVVRO-UHFFFAOYSA-N,C16H12BKS4,382.4,381.9551967,,113,301,0,0,5,0,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,7-METHANOAZULENE, 1,2,3,4,5,6,7,8-OCTAHYDRO-1,4,9,9-TETRAMETHYL-,[1S-(1.ALPH",000514-51-2,12313993,"(1R,5S,8R)-1,5,11,11-tetramethyltricyclo[6.2.1.02,6]undec-2(6)-ene",C[C@H]1CCC2=C1C[C@H]3CC[C@@]2(C3(C)C)C,"InChI=1S/C15H24/c1-10-5-6-13-12(10)9-11-7-8-15(13,4)14(11,2)3/h10-11H,5-9H2,1-4H3/t10-,11+,15-/m0/s1",CSKINCSXMLCMAR-RWSFTLGLSA-N,C15H24,204.35,204.1878008,4.3,0,334,0,0,0,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"MORPHOLINE, 4-(1-CYCLOHEXEN-1-YL)-",000670-80-4,69589,4-(cyclohexen-1-yl)morpholine,C1CCC(=CC1)N2CCOCC2,"InChI=1S/C10H17NO/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h4H,1-3,5-9H2",IIQFBBQJYPGOHJ-UHFFFAOYSA-N,C10H17NO,167.25,167.1310142,1.7,12.5,171,0,0,2,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,10-PHENANTHROLINE, 5-PHENYL-",006153-89-5,80258,"5-phenyl-1,10-phenanthroline",C1=CC=C(C=C1)C2=C3C=CC=NC3=C4C(=C2)C=CC=N4,InChI=1S/C18H12N2/c1-2-6-13(7-3-1)16-12-14-8-4-10-19-17(14)18-15(16)9-5-11-20-18/h1-12H,QQEQHUHZBMUJET-UHFFFAOYSA-N,C18H12N2,256.3,256.1000484,4.1,25.8,323,0,0,2,1,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,7-NAPHTHALENEDISULFONIC ACID, 4-HYDROXY-5-[[(4-METHYLPHENYL)SULFONYL]AMINO]-",006860-97-5,81300,"4-hydroxy-5-[(4-methylphenyl)sulfonylamino]naphthalene-2,7-disulfonic acid",CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O,"InChI=1S/C17H15NO9S3/c1-10-2-4-12(5-3-10)28(20,21)18-15-8-13(29(22,23)24)6-11-7-14(30(25,26)27)9-16(19)17(11)15/h2-9,18-19H,1H3,(H,22,23,24)(H,25,26,27)",QVLDIIYDXICVCJ-UHFFFAOYSA-N,C17H15NO9S3,473.5,472.9908946,1.8,200,922,0,4,10,5,30,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"METHANONE, PHENYL-4-PYRIDINYL-",014548-46-0,26731,phenyl(pyridin-4-yl)methanone,C1=CC=C(C=C1)C(=O)C2=CC=NC=C2,InChI=1S/C12H9NO/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-9H,SKFLCXNDKRUHTA-UHFFFAOYSA-N,C12H9NO,183.21,183.0684139,2,30,190,0,0,2,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HIRUDIN,008001-27-2,72941487,"(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S,3R)-2-[[2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(1R,6R,9S,12S,15S,18S,24S,27S,33S,36S,39R,44R,47S,53S,56S,59S,67S,73S,76S)-15,76-bis(4-aminobutyl)-44-[[(2S)-2-[[(4R,7S,10S,13S,19S,22S,25S,28R)-28-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]-10-(2-amino-2-oxoethyl)-13-(3-amino-3-oxopropyl)-22-(2-carboxyethyl)-25-[(1R)-1-hydroxyethyl]-19-(hydroxymethyl)-7-(2-methylpropyl)-6,9,12,15,18,21,24,27-octaoxo-1,2-dithia-5,8,11,14,17,20,23,26-octazacyclononacosane-4-carbonyl]amino]-4-methylpentanoyl]amino]-12,56,73-tris(2-amino-2-oxoethyl)-9,67-bis(3-amino-3-oxopropyl)-36-[(2S)-butan-2-yl]-18,47-bis(2-carboxyethyl)-24-(carboxymethyl)-27,53-bis(hydroxymethyl)-33-(2-methylpropyl)-8,11,14,17,20,23,26,29,32,35,38,45,48,51,54,57,60,62,65,68,71,74,77-tricosaoxo-59-propan-2-yl-3,4,41,42-tetrathia-7,10,13,16,19,22,25,28,31,34,37,46,49,52,55,58,61,63,66,69,72,75,78-tricosazabicyclo[37.22.17]octaheptacontane-6-carbonyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-4-carboxybutanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxobutanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid",CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H]2C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)C(C)C)CC(=O)N)CO)CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3)CC(C)C)CC(=O)N)CCC(=O)N)CO)CCC(=O)O)[C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N)C(=O)N1)CCCCN)CC(=O)N)CCC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CCCCN)C(=O)N6CCC[C@H]6C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC7=CN=CN7)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC8=CC=CC=C8)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N9CCC[C@H]9C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)OS(=O)(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)O)CCC(=O)N)CC(=O)N)CCCCN)CCC(=O)O)CC(=O)O)CO)CC(C)C,"InChI=1S/C287H440N80O113S7/c1-25-133(19)226-281(469)345-161(87-125(3)4)235(423)306-111-208(394)320-180(116-370)266(454)344-175(101-219(414)415)237(425)307-105-202(388)316-151(62-75-212(400)401)242(430)321-145(41-30-33-81-288)240(428)339-170(96-197(297)383)258(446)326-152(57-70-193(293)379)249(437)351-185(121-484-481-118-182-239(427)310-107-201(387)313-147(55-68-191(291)377)232(420)303-108-205(391)317-169(95-196(296)382)257(445)322-146(42-31-34-82-289)241(429)350-186(271(459)360-226)122-485-482-119-183(268(456)323-149(61-74-211(398)399)234(422)304-110-207(393)319-179(115-369)265(453)342-173(99-200(300)386)264(452)357-223(130(13)14)279(467)355-182)352-253(441)164(90-128(9)10)335-269(457)184-120-483-486-123-187(354-262(450)177(103-221(418)419)347-283(471)230(137(23)374)362-263(451)167(92-140-47-51-143(376)52-48-140)346-278(466)224(131(15)16)359-276(464)222(301)129(11)12)272(460)363-229(136(22)373)282(470)330-157(66-79-216(408)409)248(436)348-178(114-368)238(426)309-106-203(389)315-150(56-69-192(292)378)243(431)340-171(97-198(298)384)259(447)334-163(89-127(7)8)252(440)353-184)270(458)358-225(132(17)18)280(468)364-228(135(21)372)277(465)311-112-204(390)314-148(60-73-210(396)397)233(421)305-113-209(395)356-231(138(24)375)286(474)367-86-38-46-190(367)275(463)331-159(43-32-35-83-290)284(472)365-84-36-44-188(365)273(461)328-153(58-71-194(294)380)247(435)349-181(117-371)267(455)338-168(94-142-104-302-124-312-142)256(444)341-172(98-199(299)385)260(448)343-174(100-218(412)413)236(424)308-109-206(392)318-176(102-220(416)417)261(449)337-165(91-139-39-28-27-29-40-139)254(442)327-154(63-76-213(402)403)244(432)325-158(67-80-217(410)411)250(438)361-227(134(20)26-2)285(473)366-85-37-45-189(366)274(462)329-156(65-78-215(406)407)245(433)324-155(64-77-214(404)405)246(434)336-166(93-141-49-53-144(54-50-141)480-487(477,478)479)255(443)333-162(88-126(5)6)251(439)332-160(287(475)476)59-72-195(295)381/h27-29,39-40,47-54,104,124-138,145-190,222-231,368-376H,25-26,30-38,41-46,55-103,105-123,288-290,301H2,1-24H3,(H2,291,377)(H2,292,378)(H2,293,379)(H2,294,380)(H2,295,381)(H2,296,382)(H2,297,383)(H2,298,384)(H2,299,385)(H2,300,386)(H,302,312)(H,303,420)(H,304,422)(H,305,421)(H,306,423)(H,307,425)(H,308,424)(H,309,426)(H,310,427)(H,311,465)(H,313,387)(H,314,390)(H,315,389)(H,316,388)(H,317,391)(H,318,392)(H,319,393)(H,320,394)(H,321,430)(H,322,445)(H,323,456)(H,324,433)(H,325,432)(H,326,446)(H,327,442)(H,328,461)(H,329,462)(H,330,470)(H,331,463)(H,332,439)(H,333,443)(H,334,447)(H,335,457)(H,336,434)(H,337,449)(H,338,455)(H,339,428)(H,340,431)(H,341,444)(H,342,453)(H,343,448)(H,344,454)(H,345,469)(H,346,466)(H,347,471)(H,348,436)(H,349,435)(H,350,429)(H,351,437)(H,352,441)(H,353,440)(H,354,450)(H,355,467)(H,356,395)(H,357,452)(H,358,458)(H,359,464)(H,360,459)(H,361,438)(H,362,451)(H,363,460)(H,364,468)(H,396,397)(H,398,399)(H,400,401)(H,402,403)(H,404,405)(H,406,407)(H,408,409)(H,410,411)(H,412,413)(H,414,415)(H,416,417)(H,418,419)(H,475,476)(H,477,478,479)/t133-,134-,135+,136+,137+,138+,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,222-,223-,224-,225-,226-,227-,228-,229-,230-,231-/m0/s1",WQPDUTSPKFMPDP-OUMQNGNKSA-N,C287H440N80O113S7,7044,7041.928849,-40.7,3290,18900,0,99,124,167,487,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
GLUCOTROPAEOLIN POTASSIUM SALT,005115-71-9,70702337,"potassium [(E)-[2-phenyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethylidene]amino] sulfate",C1=CC=C(C=C1)C/C(=N\OS(=O)(=O)[O-])/SC2C(C(C(C(O2)CO)O)O)O.[K+],"InChI=1S/C14H19NO9S2.K/c16-7-9-11(17)12(18)13(19)14(23-9)25-10(15-24-26(20,21)22)6-8-4-2-1-3-5-8;/h1-5,9,11-14,16-19H,6-7H2,(H,20,21,22);/q;+1/p-1/b15-10+;",UYCWNAZWHVREMO-GYVLLFFHSA-M,C14H18KNO9S2,447.5,447.006005,,203,580,0,4,11,7,27,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"ETHYL PHENYL(2,4,6-TRIMETHYLBENZOYL)PHOSPHINATE",084434-11-7,16205480,"[ethoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone",CCOP(=O)(C1=CC=CC=C1)C(=O)C2=C(C=C(C=C2C)C)C,"InChI=1S/C18H21O3P/c1-5-21-22(20,16-9-7-6-8-10-16)18(19)17-14(3)11-13(2)12-15(17)4/h6-12H,5H2,1-4H3",ZMDDERVSCYEKPQ-UHFFFAOYSA-N,C18H21O3P,316.3,316.1228315,3.9,43.4,416,0,0,3,5,22,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"9,10-ANTHRACENEDIONE, 1,8-BIS(PHENYLTHIO)-",013676-91-0,83650,"1,8-bis(phenylsulfanyl)anthracene-9,10-dione",C1=CC=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=CC=CC=C5,InChI=1S/C26H16O2S2/c27-25-19-13-7-15-21(29-17-9-3-1-4-10-17)23(19)26(28)24-20(25)14-8-16-22(24)30-18-11-5-2-6-12-18/h1-16H,CNRPDCKHCGUKDK-UHFFFAOYSA-N,C26H16O2S2,424.5,424.0591721,7,84.7,573,0,0,4,4,30,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"2,7-NAPHTHALENEDISULFONIC ACID, 4-HYDROXY-3-[(2-SULFOPHENYL)AZO]-5-[(2,5,6-TRI",015792-41-3,85107,"trisodium;4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]-5-[(2,5,6-trichloropyrimidin-4-yl)amino]naphthalene-2,7-disulfonate",C1=CC=C(C(=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])NC4=C(C(=NC(=N4)Cl)Cl)Cl)O)S(=O)(=O)[O-].[Na+].[Na+].[Na+],"InChI=1S/C20H12Cl3N5O10S3.3Na/c21-15-18(22)25-20(23)26-19(15)24-11-7-9(39(30,31)32)5-8-6-13(41(36,37)38)16(17(29)14(8)11)28-27-10-3-1-2-4-12(10)40(33,34)35;;;/h1-7,29H,(H,24,25,26)(H,30,31,32)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3",ZHDFKPUCUYZGGM-UHFFFAOYSA-K,C20H9Cl3N5Na3O10S3,750.8,748.827021,,280,1250,0,2,15,4,44,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"9,10-ANTHRACENEDIONE, 1-AMINO-4-HYDROXY-2-(2-PHENOXYETHOXY)-",017418-59-6,87107,"1-amino-4-hydroxy-2-(2-phenoxyethoxy)anthracene-9,10-dione",C1=CC=C(C=C1)OCCOC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N,"InChI=1S/C22H17NO5/c23-20-17(28-11-10-27-13-6-2-1-3-7-13)12-16(24)18-19(20)22(26)15-9-5-4-8-14(15)21(18)25/h1-9,12,24H,10-11,23H2",QIQBPLFYOLFHTB-UHFFFAOYSA-N,C22H17NO5,375.4,375.1106726,4.6,98.9,575,0,2,6,5,28,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1H-INDEN-1-ONE, 3-HYDROXY-2-(3-HYDROXY-2-QUINOLINYL)-",017772-51-9,87299,3-hydroxy-2-(3-hydroxyquinolin-2-yl)inden-1-one,C1=CC=C2C(=C1)C=C(C(=N2)C3=C(C4=CC=CC=C4C3=O)O)O,"InChI=1S/C18H11NO3/c20-14-9-10-5-1-4-8-13(10)19-16(14)15-17(21)11-6-2-3-7-12(11)18(15)22/h1-9,20-21H",FZEHABHMMOXCEI-UHFFFAOYSA-N,C18H11NO3,289.3,289.0738932,2.9,70.4,501,0,2,4,1,22,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"5H-DIBENZO[A,D]CYCLOHEPTEN-5-ONE, 10,11-DIHYDRO-",001210-35-1,14589,"tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one",C1CC2=CC=CC=C2C(=O)C3=CC=CC=C31,"InChI=1S/C15H12O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8H,9-10H2",BMVWCPGVLSILMU-UHFFFAOYSA-N,C15H12O,208.25,208.088815,4,17.1,245,0,0,1,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,5-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE, COMPD. WITH 6-[2-(2-METHYL-1H-IMIDAZOL-",068490-66-4,11110832,"6-[2-(2-methylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine;1,3,5-triazinane-2,4,6-trione",CC1=NC=CN1CCC2=NC(=NC(=N2)N)N.C1(=O)NC(=O)NC(=O)N1,"InChI=1S/C9H13N7.C3H3N3O3/c1-6-12-3-5-16(6)4-2-7-13-8(10)15-9(11)14-7;7-1-4-2(8)6-3(9)5-1/h3,5H,2,4H2,1H3,(H4,10,11,13,14,15);(H3,4,5,6,7,8,9)",CFSJAORJCPGPFP-UHFFFAOYSA-N,C12H16N10O3,348.32,348.1406844,,196,349,0,5,9,3,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-NAPHTHALENESULFONIC ACID, 6-AMINO-5-[[4-CHLORO-3-[[(2,4-DIMETHYLPHENYL)AMINO",071873-39-7,135764934,"sodium 6-amino-5-[[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate",CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)N=NC3=C(C=CC4=CC(=CC(=C43)O)S(=O)(=O)[O-])N)Cl)C.[Na+],"InChI=1S/C24H21ClN4O6S2.Na/c1-13-3-8-20(14(2)9-13)29-36(31,32)22-11-16(5-6-18(22)25)27-28-24-19(26)7-4-15-10-17(37(33,34)35)12-21(30)23(15)24;/h3-12,29-30H,26H2,1-2H3,(H,33,34,35);/q;+1/p-1",VFDWNJDYRUTEKZ-UHFFFAOYSA-M,C24H20ClN4NaO6S2,583,582.0410487,,191,1040,0,3,10,6,38,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
LYSOZYME CHLORIDE,009066-59-5,131750181,"(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoic acid",C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](C(C)C)N,"InChI=1S/C125H196N40O36S2/c1-61(2)43-80(105(183)141-57-97(174)151-89(122(200)201)51-93(128)170)157-119(197)90(58-166)164-115(193)84(47-69-27-31-72(167)32-28-69)150-96(173)55-140-104(182)74(24-18-39-137-123(130)131)153-116(194)85(48-70-29-33-73(168)34-30-70)159-117(195)87(50-92(127)169)161-118(196)88(52-99(177)178)162-114(192)81(44-62(3)4)149-95(172)56-143-107(185)86(49-71-53-136-60-144-71)160-110(188)77(26-20-41-139-125(134)135)155-109(187)76(23-16-17-38-126)154-112(190)79(37-42-203-12)152-103(181)67(11)146-101(179)65(9)145-102(180)66(10)147-113(191)82(45-63(5)6)158-111(189)78(35-36-98(175)176)156-120(198)91(59-202)165-108(186)75(25-19-40-138-124(132)133)148-94(171)54-142-106(184)83(46-68-21-14-13-15-22-68)163-121(199)100(129)64(7)8/h13-15,21-22,27-34,53,60-67,74-91,100,166-168,202H,16-20,23-26,35-52,54-59,126,129H2,1-12H3,(H2,127,169)(H2,128,170)(H,136,144)(H,140,182)(H,141,183)(H,142,184)(H,143,185)(H,145,180)(H,146,179)(H,147,191)(H,148,171)(H,149,172)(H,150,173)(H,151,174)(H,152,181)(H,153,194)(H,154,190)(H,155,187)(H,156,198)(H,157,197)(H,158,189)(H,159,195)(H,160,188)(H,161,196)(H,162,192)(H,163,199)(H,164,193)(H,165,186)(H,175,176)(H,177,178)(H,200,201)(H4,130,131,137)(H4,132,133,138)(H4,134,135,139)/t65-,66-,67-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,100-/m0/s1",JFXJPYIEDZSWNF-JWBGUOTLSA-N,C125H196N40O36S2,2899.3,2898.42109,-12.1,1280,6500,0,46,44,99,203,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
SEPHADEX(R) G-200,009041-36-5,168010037,"bis(7-chloro-17-hydroxy-2-phenyl-9-oxa-1,14,21-triazatetracyclo[12.7.1.03,8.016,21]docosa-3(8),4,6,11,16,19-hexaene-15,18-dione);bis(6,7-difluoro-17-hydroxy-2-phenyl-9-oxa-1,14,21-triazatetracyclo[12.7.1.03,8.016,21]docosa-3(8),4,6,11,16,19-hexaene-15,18-dione);7-fluoro-2-(6-fluoro-2-pyridinyl)-17-hydroxy-1,14,21-triazatetracyclo[12.7.1.03,8.016,21]docosa-3(8),4,6,11,16,19-hexaene-15,18-dione",C1CC2=C(C=CC=C2F)C(N3CN(CC=C1)C(=O)C4=C(C(=O)C=CN43)O)C5=NC(=CC=C5)F.C1C=CCOC2=C(C=CC=C2Cl)C(N3CN1C(=O)C4=C(C(=O)C=CN43)O)C5=CC=CC=C5.C1C=CCOC2=C(C=CC=C2Cl)C(N3CN1C(=O)C4=C(C(=O)C=CN43)O)C5=CC=CC=C5.C1C=CCOC2=C(C=CC(=C2F)F)C(N3CN1C(=O)C4=C(C(=O)C=CN43)O)C5=CC=CC=C5.C1C=CCOC2=C(C=CC(=C2F)F)C(N3CN1C(=O)C4=C(C(=O)C=CN43)O)C5=CC=CC=C5,"InChI=1S/2C24H20ClN3O4.C24H20F2N4O3.2C24H19F2N3O4/c2*25-18-10-6-9-17-20(16-7-2-1-3-8-16)28-15-26(12-4-5-14-32-23(17)18)24(31)21-22(30)19(29)11-13-27(21)28;25-17-8-4-7-16-15(17)6-2-1-3-12-28-14-30(21(16)18-9-5-10-20(26)27-18)29-13-11-19(31)23(32)22(29)24(28)33;2*25-17-9-8-16-20(15-6-2-1-3-7-15)29-14-27(11-4-5-13-33-23(16)19(17)26)24(32)21-22(31)18(30)10-12-28(21)29/h2*1-11,13,20,30H,12,14-15H2;1,3-5,7-11,13,21,32H,2,6,12,14H2;2*1-10,12,20,31H,11,13-14H2",XDTNUBTXHWPZST-UHFFFAOYSA-N,C120H98Cl2F6N16O19,2253,2251.650894,,370,2630,0,5,36,5,163,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
"DIBENZO[A,L]PYRENE",000191-30-0,9119,"hexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaene",C1=CC=C2C(=C1)C=C3C=CC4=C5C3=C2C6=CC=CC=C6C5=CC=C4,InChI=1S/C24H14/c1-2-8-18-16(6-1)14-17-13-12-15-7-5-11-20-19-9-3-4-10-21(19)24(18)23(17)22(15)20/h1-14H,JNTHRSHGARDABO-UHFFFAOYSA-N,C24H14,302.4,302.1095504,7.2,0,480,0,0,0,0,24,,630.6 °C,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"TRANS-2-{(DIMETHYLAMINO)METHYLIMINO}-5-[2-(5-NITRO-2-FURYL)VINYL}-1,3,4-OXADIA",025962-77-0,9570442,"N,N-dimethyl-N'-[5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3,4-oxadiazol-2-yl]methanimidamide",CN(C)/C=N/C1=NN=C(O1)/C=C/C2=CC=C(O2)[N+](=O)[O-],"InChI=1S/C11H11N5O4/c1-15(2)7-12-11-14-13-9(20-11)5-3-8-4-6-10(19-8)16(17)18/h3-7H,1-2H3/b5-3+,12-7+",QLKWZSDBTUTCIJ-PPRDQHCASA-N,C11H11N5O4,277.24,277.0811039,1.3,113,395,0,0,7,4,20,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzamide, 4-amino-5-chloro-2-ethoxy-N-((4-((4-fluorophenyl)methyl)-2-morpholi",112885-42-4,119583,"4-amino-5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide;2-hydroxypropane-1,2,3-tricarboxylic acid",CCOC1=CC(=C(C=C1C(=O)NCC2CN(CCO2)CC3=CC=C(C=C3)F)Cl)N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,"InChI=1S/C21H25ClFN3O3.C6H8O7/c1-2-28-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(23)6-4-14;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",HUZTYZBFZKRPFG-UHFFFAOYSA-N,C27H33ClFN3O10,614,613.1838501,,209,749,0,6,13,12,42,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"METHYL 2,3,4-TRI-O-BENZYL-ALPHA-D-GALACTOPYRANOSIDE",055094-38-7,11419893,"[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol",CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4,"InChI=1S/C28H32O6/c1-30-28-27(33-20-23-15-9-4-10-16-23)26(32-19-22-13-7-3-8-14-22)25(24(17-29)34-28)31-18-21-11-5-2-6-12-21/h2-16,24-29H,17-20H2,1H3/t24-,25+,26+,27-,28+/m1/s1",MOKYEUQDXDKNDX-JYIVOWJTSA-N,C28H32O6,464.5,464.2198887,3.5,66.4,541,0,1,6,11,34,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, [[(CHLOROACETYL)AMINO]METHYL][4-[[4-(CYCLOHEXYLAMINO)-9,",072391-24-3,138401826,"sodium 2-chloro-N-[[2-[4-[[4-(cyclohexylamino)-9,10-dioxoanthracen-1-yl]amino]phenoxy]-3-methyl-4-sulfophenyl]methyl]ethanimidate",CC1=C(C=CC(=C1OC2=CC=C(C=C2)NC3=C4C(=C(C=C3)NC5CCCCC5)C(=O)C6=CC=CC=C6C4=O)CN=C(CCl)[O-])S(=O)(=O)O.[Na+],"InChI=1S/C36H34ClN3O7S.Na/c1-21-30(48(44,45)46)18-11-22(20-38-31(41)19-37)36(21)47-25-14-12-24(13-15-25)40-29-17-16-28(39-23-7-3-2-4-8-23)32-33(29)35(43)27-10-6-5-9-26(27)34(32)42;/h5-6,9-18,23,39-40H,2-4,7-8,19-20H2,1H3,(H,38,41)(H,44,45,46);/q;+1/p-1",INODZIDNDJNSKB-UHFFFAOYSA-M,C36H33ClN3NaO7S,710.2,709.1625435,,166,1270,0,3,10,10,49,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propanol, 1-(9H-carbazol-4-yloxy)-3-((2-(2-methoxyphenoxy)ethyl)amino)-",072956-09-3,2585,1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol,COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O,"InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3",OGHNVEJMJSYVRP-UHFFFAOYSA-N,C24H26N2O4,406.5,406.1892573,4.2,75.7,508,0,3,5,10,30,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
FMOC-N-GAMMA-TRITYL-L-ASPARAGINE,132388-59-1,640248,(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(tritylamino)butanoic acid,C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(=O)C[C@@H](C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46,"InChI=1S/C38H32N2O5/c41-35(40-38(26-14-4-1-5-15-26,27-16-6-2-7-17-27)28-18-8-3-9-19-28)24-34(36(42)43)39-37(44)45-25-33-31-22-12-10-20-29(31)30-21-11-13-23-32(30)33/h1-23,33-34H,24-25H2,(H,39,44)(H,40,41)(H,42,43)/t34-/m0/s1",KJYAFJQCGPUXJY-UMSFTDKQSA-N,C38H32N2O5,596.7,596.2311221,6.6,105,931,0,3,5,11,45,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 3,4,5-trimethoxy-, diester with 3,3'-(ethylenebis(methylimino))di-1-propanol,dihydrochloride",50-62-4,5776,"3-[methyl-[2-[methyl-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]amino]ethyl]amino]propyl 3,4,5-trimethoxybenzoate;dihydrochloride",CN(CCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC)CCN(C)CCCOC(=O)C2=CC(=C(C(=C2)OC)OC)OC.Cl.Cl,"InChI=1S/C30H44N2O10.2ClH/c1-31(11-9-15-41-29(33)21-17-23(35-3)27(39-7)24(18-21)36-4)13-14-32(2)12-10-16-42-30(34)22-19-25(37-5)28(40-8)26(20-22)38-6;;/h17-20H,9-16H2,1-8H3;2*1H",GIOKUMNZQFCEPI-UHFFFAOYSA-N,C30H46Cl2N2O10,665.6,664.2529511,,114,684,0,2,12,21,44,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S,8aR)-",483-76-1,441005,"(1S,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene",CC1=C[C@H]2[C@@H](CCC(=C2CC1)C)C(C)C,"InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3/t13-,15-/m0/s1",FUCYIEXQVQJBKY-ZFWWWQNUSA-N,C15H24,204.35,204.1878008,3.8,0,304,0,0,0,1,15,,120.00 to 121.00 °C. @ 9.00 mm Hg,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2-Naphthalenecarboxamide, 6-(7-chloro-1,3-dihydro-4-hydroxy-1-methyl-3-oxo-1-benzofuranyl)-4-(dimethylamino)-1,4,4a,5,6,7,8,8a-octahydro-3,8a-dihydroxy-1,8-dioxo-,(4S-(4-alpha,4a-alpha,6-beta(R*),8a-alpha))-",514-53-4,54678405,"(4S,4aS,6S,8aR)-6-[(1S)-7-chloro-4-hydroxy-1-methyl-3-oxo-2-benzofuran-1-yl]-4-(dimethylamino)-1,8a-dihydroxy-3,8-dioxo-4a,5,6,7-tetrahydro-4H-naphthalene-2-carboxamide",C[C@@]1(C2=C(C=CC(=C2C(=O)O1)O)Cl)[C@H]3C[C@H]4[C@@H](C(=O)C(=C([C@]4(C(=O)C3)O)O)C(=O)N)N(C)C,"InChI=1S/C22H23ClN2O8/c1-21(15-10(23)4-5-11(26)13(15)20(31)33-21)8-6-9-16(25(2)3)17(28)14(19(24)30)18(29)22(9,32)12(27)7-8/h4-5,8-9,16,26,29,32H,6-7H2,1-3H3,(H2,24,30)/t8-,9-,16-,21-,22-/m0/s1",ZDCFZNSICAQKSV-AXVXPIMKSA-N,C22H23ClN2O8,478.9,478.1142934,1.7,167,966,0,4,9,3,33,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"beta-D-Glucopyranosiduronic acid, (16-alpha,17-beta)-3,17-dihydroxyestra-1,3,5(10)-trien-16-yl",1852-50-2,122281,"(2S,3S,4S,5R,6R)-6-[[(8R,9S,13S,14S,16R,17R)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid",C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CCC5=C3C=CC(=C5)O,"InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)15(24)9-16(21(24)29)32-23-19(28)17(26)18(27)20(33-23)22(30)31/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23-,24+/m1/s1",FQYGGFDZJFIDPU-JRSYHJKYSA-N,C24H32O9,464.5,464.2046326,1.1,157,747,0,6,9,3,33,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Aziridinecarboxamide, N,N'-hexamethyenebis-",2271-93-4,16758,N-[6-(aziridine-1-carbonylamino)hexyl]aziridine-1-carboxamide,C1CN1C(=O)NCCCCCCNC(=O)N2CC2,"InChI=1S/C12H22N4O2/c17-11(15-7-8-15)13-5-3-1-2-4-6-14-12(18)16-9-10-16/h1-10H2,(H,13,17)(H,14,18)",YVOQADGLLJCMOE-UHFFFAOYSA-N,C12H22N4O2,254.33,254.174276,-0.1,64.2,270,0,2,2,7,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Pyrazolo(3,4-d)pyrimidine-4,6(5H,7H)-dione",2465-59-0,135398752,"1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione",C1=NNC2=C1C(=O)NC(=O)N2,"InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)",HXNFUBHNUDHIGC-UHFFFAOYSA-N,C5H4N4O2,152.11,152.0334254,-0.9,86.9,217,0,3,3,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Imidazolidinethione, 2,2,4,4-tetramethyl-",2582-16-3,1397155,"2,2,5,5-tetramethylimidazolidine-4-thione",CC1(C(=S)NC(N1)(C)C)C,"InChI=1S/C7H14N2S/c1-6(2)5(10)8-7(3,4)9-6/h9H,1-4H3,(H,8,10)",BOXUTHGPSCJJCG-UHFFFAOYSA-N,C7H14N2S,158.27,158.0877696,0.8,56.2,172,0,2,2,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propen-1-one, 1-(4-pyridinyl)-3-(2-quinolinyl)-, (2E)-",4382-63-2,25142799,(E)-1-pyridin-4-yl-3-quinolin-2-ylprop-2-en-1-one,C1=CC=C2C(=C1)C=CC(=N2)/C=C/C(=O)C3=CC=NC=C3,InChI=1S/C17H12N2O/c20-17(14-9-11-18-12-10-14)8-7-15-6-5-13-3-1-2-4-16(13)19-15/h1-12H/b8-7+,UJJUKZPBUMCSJZ-BQYQJAHWSA-N,C17H12N2O,260.29,260.094963,2.9,42.9,360,0,0,3,3,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridinium, 1,1'-bis(3,5-dimethylmorpholinocarbonylmethyl)-4,4'-di-, dichloride",4636-83-3,107850,"1-(3,5-dimethylmorpholin-4-yl)-2-[4-[1-[2-(3,5-dimethylmorpholin-4-yl)-2-oxoethyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethanone dichloride",CC1COCC(N1C(=O)C[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)CC(=O)N4C(COCC4C)C)C.[Cl-].[Cl-],"InChI=1S/C26H36N4O4.2ClH/c1-19-15-33-16-20(2)29(19)25(31)13-27-9-5-23(6-10-27)24-7-11-28(12-8-24)14-26(32)30-21(3)17-34-18-22(30)4;;/h5-12,19-22H,13-18H2,1-4H3;2*1H/q+2;;/p-2",LVPGGWVHPIAEMC-UHFFFAOYSA-L,C26H36Cl2N4O4,539.5,538.211361,,66.8,612,0,0,6,5,36,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(1H)-Quinolinone, 3-amino-6-chloro-1-methyl-4-phenyl-",5220-02-0,145782,3-amino-6-chloro-1-methyl-4-phenylquinolin-2-one,CN1C2=C(C=C(C=C2)Cl)C(=C(C1=O)N)C3=CC=CC=C3,"InChI=1S/C16H13ClN2O/c1-19-13-8-7-11(17)9-12(13)14(15(18)16(19)20)10-5-3-2-4-6-10/h2-9H,18H2,1H3",GHUMMQSCMAWOQZ-UHFFFAOYSA-N,C16H13ClN2O,284.74,284.0716407,2.9,46.3,428,0,1,2,1,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-Naphthol, 1-(piperidinomethyl)-",5342-95-0,21436,1-(piperidin-1-ylmethyl)naphthalen-2-ol,C1CCN(CC1)CC2=C(C=CC3=CC=CC=C32)O,"InChI=1S/C16H19NO/c18-16-9-8-13-6-2-3-7-14(13)15(16)12-17-10-4-1-5-11-17/h2-3,6-9,18H,1,4-5,10-12H2",WFZSFSMELSBBJO-UHFFFAOYSA-N,C16H19NO,241.33,241.1466642,3.5,23.5,262,0,1,2,2,18,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrazole, 5-amino-1,3-diphenyl-",5356-71-8,199969,"1,3-diphenylpyrazol-5-amine",C1=CC=C(C=C1)C2=NN(C(=C2)N)C3=CC=CC=C3,"InChI=1S/C15H13N3/c16-15-11-14(12-7-3-1-4-8-12)17-18(15)13-9-5-2-6-10-13/h1-11H,16H2",SXOFMEWDEKEVJU-UHFFFAOYSA-N,C15H13N3,235.28,235.1109474,3.2,43.8,256,0,1,2,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(3H)-Furanone, 3-(2-(decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl)ethylidene)dihydro-4-hydroxy-, (1R-(1-alpha(E(S*)),4a-beta,5-alpha,6-alpha,8a-alpha))-",5508-58-7,5318517,"(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",C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2C/C=C/3\[C@@H](COC3=O)O)(C)CO)O,"InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1",BOJKULTULYSRAS-OTESTREVSA-N,C20H30O5,350.4,350.2093241,2.2,87,597,0,3,5,3,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperazine, 1,4-dibenzoyl-",6091-41-4,80185,(4-benzoylpiperazin-1-yl)-phenylmethanone,C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3,"InChI=1S/C18H18N2O2/c21-17(15-7-3-1-4-8-15)19-11-13-20(14-12-19)18(22)16-9-5-2-6-10-16/h1-10H,11-14H2",AIJTZIFDVSTZPB-UHFFFAOYSA-N,C18H18N2O2,294.3,294.1368278,2.3,40.6,352,0,0,2,2,22,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Destruxin A,6686-70-0,11421831,"(3R,10S,13S,16S,19S)-16-[(2S)-butan-2-yl]-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone",CC[C@H](C)[C@H]1C(=O)N([C@H](C(=O)N([C@H](C(=O)NCCC(=O)O[C@@H](C(=O)N2CCC[C@H]2C(=O)N1)CC=C)C)C)C(C)C)C,"InChI=1S/C29H47N5O7/c1-9-12-21-27(38)34-16-11-13-20(34)26(37)31-23(18(5)10-2)28(39)33(8)24(17(3)4)29(40)32(7)19(6)25(36)30-15-14-22(35)41-21/h9,17-21,23-24H,1,10-16H2,2-8H3,(H,30,36)(H,31,37)/t18-,19-,20-,21+,23-,24-/m0/s1",XIYSEKITPHTMJT-OCCJOITDSA-N,C29H47N5O7,577.7,577.3475489,2.3,145,1020,0,2,7,5,41,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"11H-Indeno(1,2-b)quinoxalin-11-one",6954-91-2,23386,"indeno[1,2-b]quinoxalin-11-one",C1=CC=C2C(=C1)C3=NC4=CC=CC=C4N=C3C2=O,InChI=1S/C15H8N2O/c18-15-10-6-2-1-5-9(10)13-14(15)17-12-8-4-3-7-11(12)16-13/h1-8H,GUGBQOJXKJAMTE-UHFFFAOYSA-N,C15H8N2O,232.24,232.0636629,2.7,42.9,356,0,0,3,0,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphine, tripiperidino-",13954-38-6,97084,tri(piperidin-1-yl)phosphane,C1CCN(CC1)P(N2CCCCC2)N3CCCCC3,InChI=1S/C15H30N3P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H2,GEQBPMNDDHGGPJ-UHFFFAOYSA-N,C15H30N3P,283.39,283.217735,3.2,9.7,213,0,0,3,3,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Imidazolidinone, 1-(p-chlorophenyl)-",14088-99-4,26451,1-(4-chlorophenyl)imidazolidin-2-one,C1CN(C(=O)N1)C2=CC=C(C=C2)Cl,"InChI=1S/C9H9ClN2O/c10-7-1-3-8(4-2-7)12-6-5-11-9(12)13/h1-4H,5-6H2,(H,11,13)",IZAHIGCYGOLFQV-UHFFFAOYSA-N,C9H9ClN2O,196.63,196.0403406,1.5,32.3,202,0,1,1,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Olean-12-en-28-oic acid, 3-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranosyl)oxy)-23-hydroxy-, O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranosyl ester, (3-beta,4-alpha)-",14216-03-6,11491905,"[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate",C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC(=O)[C@@]45CC[C@@]6(C(=CC[C@H]7[C@]6(CC[C@@H]8[C@@]7(CC[C@@H]([C@@]8(C)CO)O[C@H]9[C@@H]([C@H]([C@H](CO9)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)C)C)[C@@H]4CC(CC5)(C)C)C)O)O)O)CO)O)O)O,"InChI=1S/C59H96O26/c1-24-34(63)38(67)42(71)49(78-24)83-46-29(20-60)80-48(45(74)41(46)70)77-22-30-37(66)40(69)44(73)51(81-30)85-53(75)59-17-15-54(3,4)19-27(59)26-9-10-32-55(5)13-12-33(56(6,23-61)31(55)11-14-58(32,8)57(26,7)16-18-59)82-52-47(36(65)28(62)21-76-52)84-50-43(72)39(68)35(64)25(2)79-50/h9,24-25,27-52,60-74H,10-23H2,1-8H3/t24-,25-,27-,28-,29+,30+,31+,32+,33-,34-,35-,36-,37+,38+,39+,40-,41+,42+,43+,44+,45+,46+,47+,48+,49-,50-,51-,52-,55-,56-,57+,58+,59-/m0/s1",RYHDIBJJJRNDSX-MCGLQMIESA-N,C59H96O26,1221.4,1220.618983,-2,413,2370,0,15,26,14,85,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H-Benzimidazol-2-one, 1,3-dihydro-1-phenyl-",14813-85-5,84657,3-phenyl-1H-benzimidazol-2-one,C1=CC=C(C=C1)N2C3=CC=CC=C3NC2=O,"InChI=1S/C13H10N2O/c16-13-14-11-8-4-5-9-12(11)15(13)10-6-2-1-3-7-10/h1-9H,(H,14,16)",OLMPQQPQSTVRPB-UHFFFAOYSA-N,C13H10N2O,210.23,210.0793129,2.3,32.3,273,0,1,1,1,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"beta-D-Glucopyranoside, pentakis(3,4,5-trihydroxybenzoate)",14937-32-7,65238,"[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate",C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O,"InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34+,35-,41+/m1/s1",QJYNZEYHSMRWBK-NIKIMHBISA-N,C41H32O26,940.7,940.1181811,3.6,444,1680,0,15,26,16,67,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Thiazole, 5-(2-bromoethyl)-4-methyl-, 1,2-ethanedisulfonate (2:1)",15913-40-3,204186,"bis(5-(2-bromoethyl)-4-methyl-1,3-thiazole);ethane-1,2-disulfonic acid",CC1=C(SC=N1)CCBr.CC1=C(SC=N1)CCBr.C(CS(=O)(=O)O)S(=O)(=O)O,"InChI=1S/2C6H8BrNS.C2H6O6S2/c2*1-5-6(2-3-7)9-4-8-5;3-9(4,5)1-2-10(6,7)8/h2*4H,2-3H2,1H3;1-2H2,(H,3,4,5)(H,6,7,8)",YKHVPFPCLVIMCF-UHFFFAOYSA-N,C14H22Br2N2O6S4,602.4,601.8707,,208,328,0,2,10,7,28,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1
"1,2-Ethanediamine, N,N,N',N'-tetrakis(2-pyridinylmethyl)-",16858-02-9,5519,"N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethane-1,2-diamine",C1=CC=NC(=C1)CN(CCN(CC2=CC=CC=N2)CC3=CC=CC=N3)CC4=CC=CC=N4,"InChI=1S/C26H28N6/c1-5-13-27-23(9-1)19-31(20-24-10-2-6-14-28-24)17-18-32(21-25-11-3-7-15-29-25)22-26-12-4-8-16-30-26/h1-16H,17-22H2",CVRXLMUYFMERMJ-UHFFFAOYSA-N,C26H28N6,424.5,424.2375449,2.1,58,419,0,0,6,11,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Naphthalenamine, 5,6,7,8-tetrahydro-N-(2-(1H-tetrazol-5-yl)phenyl)-",18200-13-0,16078951,"N-[2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine",C1CCC2=C(C1)C=CC=C2NC3=CC=CC=C3C4=NNN=N4,"InChI=1S/C17H17N5/c1-2-8-13-12(6-1)7-5-11-15(13)18-16-10-4-3-9-14(16)17-19-21-22-20-17/h3-5,7,9-11,18H,1-2,6,8H2,(H,19,20,21,22)",YYNRZIFBTOUICE-UHFFFAOYSA-N,C17H17N5,291.35,291.1483956,4.1,66.5,363,0,2,4,3,22,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, N,N'-1,6-hexanediylbis(2-hydroxy-",20073-95-4,209651,2-hydroxy-N-[6-[(2-hydroxybenzoyl)amino]hexyl]benzamide,C1=CC=C(C(=C1)C(=O)NCCCCCCNC(=O)C2=CC=CC=C2O)O,"InChI=1S/C20H24N2O4/c23-17-11-5-3-9-15(17)19(25)21-13-7-1-2-8-14-22-20(26)16-10-4-6-12-18(16)24/h3-6,9-12,23-24H,1-2,7-8,13-14H2,(H,21,25)(H,22,26)",RCZUFIIUHYDLDD-UHFFFAOYSA-N,C20H24N2O4,356.4,356.1736073,4,98.7,404,0,4,4,9,26,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethanol, 2-((1-methyl-2-(3-(trifluoromethyl)phenyl)ethyl)amino)-, benzoate (ester),hydrochloride",23642-66-2,198015,2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl benzoate;hydrochloride,CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)C2=CC=CC=C2.Cl,"InChI=1S/C19H20F3NO2.ClH/c1-14(12-15-6-5-9-17(13-15)19(20,21)22)23-10-11-25-18(24)16-7-3-2-4-8-16;/h2-9,13-14,23H,10-12H2,1H3;1H",NLOALSPYZIIXEO-UHFFFAOYSA-N,C19H21ClF3NO2,387.8,387.1212911,,38.3,408,0,2,6,8,26,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(2-chlorophenyl)-4-phenyl-",23711-34-4,726096,"3-(2-chlorophenyl)-4-phenyl-1H-1,2,4-triazole-5-thione",C1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=CC=C3Cl,"InChI=1S/C14H10ClN3S/c15-12-9-5-4-8-11(12)13-16-17-14(19)18(13)10-6-2-1-3-7-10/h1-9H,(H,17,19)",DXGQKQYLXHGLRJ-UHFFFAOYSA-N,C14H10ClN3S,287.8,287.0283962,3.8,59.7,379,0,1,2,2,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-Phenazinedione, 2,3-dihydroxy-",23774-13-2,32092,"5,10-dihydrophenazine-1,2,3,4-tetrone",C1=CC=C2C(=C1)NC3=C(N2)C(=O)C(=O)C(=O)C3=O,"InChI=1S/C12H6N2O4/c15-9-7-8(10(16)12(18)11(9)17)14-6-4-2-1-3-5(6)13-7/h1-4,13-14H",RKNYQLOSDNLISG-UHFFFAOYSA-N,C12H6N2O4,242.19,242.0327567,1.1,92.3,474,0,2,6,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"D-Gluconic acid, 4-O-(beta-D-galactosyl)-, calcium salt, mixed with calcium bromide (1:1)",33659-28-8,93165,"dicalcium;bis((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);dibromide",C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(=O)[O-])O)O)O)O)O)O.C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(=O)[O-])O)O)O)O)O)O.[Ca+2].[Ca+2].[Br-].[Br-],"InChI=1S/2C12H22O12.2BrH.2Ca/c2*13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12;;;;/h2*3-10,12-20H,1-2H2,(H,21,22);2*1H;;/q;;;;2*+2/p-4/t2*3-,4-,5+,6+,7-,8-,9-,10-,12+;;;;/m11..../s1",SPLCCDNCDMBUIX-FQBLWANUSA-J,C24H42Br2Ca2O24,954.5,953.96641,,441,400,0,16,26,14,52,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"as-Triazine-3(2H)-thione, 5,6-diphenyl-",37469-24-2,700795,"5,6-diphenyl-2H-1,2,4-triazine-3-thione",C1=CC=C(C=C1)C2=NC(=S)NN=C2C3=CC=CC=C3,"InChI=1S/C15H11N3S/c19-15-16-13(11-7-3-1-4-8-11)14(17-18-15)12-9-5-2-6-10-12/h1-10H,(H,16,18,19)",PESHFZNRQCTMDJ-UHFFFAOYSA-N,C15H11N3S,265.3,265.0673685,3.2,68.8,402,0,1,2,2,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Trisoxireno(4b,5:6,7:8a,9)phenanthro(1,2-c)furan-1(3H)-one,3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)-,(3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-",38748-32-2,107985,"(1S,2S,4S,5S,7R,8R,9S,11S,13S)-8-hydroxy-1-methyl-7-propan-2-yl-3,6,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.05,7.09,11.014,18]icos-14(18)-en-17-one",CC(C)[C@@]12[C@@H](O1)[C@H]3[C@@]4(O3)[C@]5(CCC6=C([C@@H]5C[C@H]7[C@]4([C@@H]2O)O7)COC6=O)C,"InChI=1S/C20H24O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14,16,22H,4-7H2,1-3H3/t11-,12-,13-,14-,16+,17-,18-,19+,20+/m0/s1",DFBIRQPKNDILPW-CIVMWXNOSA-N,C20H24O6,360.4,360.1572885,0.2,84.1,819,0,1,6,1,26,,,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Acetamide, 2-(2,4-dichlorophenoxy)-N-thiazol-2-yl-",42310-58-7,667798,"2-(2,4-dichlorophenoxy)-N-(1,3-thiazol-2-yl)acetamide",C1=CC(=C(C=C1Cl)Cl)OCC(=O)NC2=NC=CS2,"InChI=1S/C11H8Cl2N2O2S/c12-7-1-2-9(8(13)5-7)17-6-10(16)15-11-14-3-4-18-11/h1-5H,6H2,(H,14,15,16)",IKSUVTOQBOGSHO-UHFFFAOYSA-N,C11H8Cl2N2O2S,303.2,301.9683541,3.5,79.5,296,0,1,4,4,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2H-Azepin-2-one, hexahydro-1-(2-pyridyl)-",51263-32-2,72795,1-pyridin-2-ylazepan-2-one,C1CCC(=O)N(CC1)C2=CC=CC=N2,"InChI=1S/C11H14N2O/c14-11-7-2-1-5-9-13(11)10-6-3-4-8-12-10/h3-4,6,8H,1-2,5,7,9H2",JRMTZHXHEXFTMZ-UHFFFAOYSA-N,C11H14N2O,190.24,190.1106131,1.3,33.2,205,0,0,2,1,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"9(10H)-Anthracenone, 10-beta-D-glucopyranosyl-8-(beta-D-glucopyranosyloxy)-1-hydroxy-3-(hydroxymethyl)-, (10S)-",53823-08-8,442727,"(10S)-1-hydroxy-3-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10H-anthracen-9-one",C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C([C@H]2[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C=C(C=C4O)CO,"InChI=1S/C27H32O14/c28-6-9-4-11-16(26-24(37)22(35)19(32)14(7-29)39-26)10-2-1-3-13(18(10)21(34)17(11)12(31)5-9)40-27-25(38)23(36)20(33)15(8-30)41-27/h1-5,14-16,19-20,22-33,35-38H,6-8H2/t14-,15-,16+,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1",MNAYRSRTNMVAPR-ZHVWOXMGSA-N,C27H32O14,580.5,580.1792057,-1.9,247,907,0,10,14,6,41,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Imidazole, 1-(2,4-dichloro-beta-(p-(phenylthio)benzyloxy)phenethyl)-, nitrate",73151-29-8,51754,"1-[2-(2,4-dichlorophenyl)-2-[(4-phenylsulfanylphenyl)methoxy]ethyl]imidazole;nitric acid",C1=CC=C(C=C1)SC2=CC=C(C=C2)COC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl.[N+](=O)(O)[O-],"InChI=1S/C24H20Cl2N2OS.HNO3/c25-19-8-11-22(23(26)14-19)24(15-28-13-12-27-17-28)29-16-18-6-9-21(10-7-18)30-20-4-2-1-3-5-20;2-1(3)4/h1-14,17,24H,15-16H2;(H,2,3,4)",FJNRUWDGCVDXLU-UHFFFAOYSA-N,C24H21Cl2N3O4S,518.4,517.0629827,,118,524,0,1,6,8,34,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Glycine, N-(2-((8-(bis(carboxymethyl)amino)-6-methoxy-2-quinolinyl)methoxy)-4-methylphenyl)-N-(carboxymethyl)-, tetrapotassium salt",73630-23-6,135539,tetrapotassium;2-[2-[[8-[bis(carboxylatomethyl)amino]-6-methoxyquinolin-2-yl]methoxy]-N-(carboxylatomethyl)-4-methylanilino]acetate,CC1=CC(=C(C=C1)N(CC(=O)[O-])CC(=O)[O-])OCC2=NC3=C(C=C(C=C3C=C2)OC)N(CC(=O)[O-])CC(=O)[O-].[K+].[K+].[K+].[K+],"InChI=1S/C26H27N3O10.4K/c1-15-3-6-19(28(10-22(30)31)11-23(32)33)21(7-15)39-14-17-5-4-16-8-18(38-2)9-20(26(16)27-17)29(12-24(34)35)13-25(36)37;;;;/h3-9H,10-14H2,1-2H3,(H,30,31)(H,32,33)(H,34,35)(H,36,37);;;;/q;4*+1/p-4",XAGUNWDMROKIFJ-UHFFFAOYSA-J,C26H23K4N3O10,693.9,692.9931699,,198,819,0,0,13,10,43,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Barbituric acid, 2-thio-5-vanillylidene-",73681-14-8,5285855,"5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione",COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)NC2=O)O,"InChI=1S/C12H10N2O4S/c1-18-9-5-6(2-3-8(9)15)4-7-10(16)13-12(19)14-11(7)17/h2-5,15H,1H3,(H2,13,14,16,17,19)",NJSVXZLVNLOVCG-UHFFFAOYSA-N,C12H10N2O4S,278.29,278.036128,1.3,120,427,0,3,5,2,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-((1-oxo-3-phenyl-2-propenyl)amino)-,ethyl ester",76981-77-6,1098719,"ethyl 2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate",CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)/C=C/C3=CC=CC=C3,"InChI=1S/C20H21NO3S/c1-2-24-20(23)18-15-10-6-7-11-16(15)25-19(18)21-17(22)13-12-14-8-4-3-5-9-14/h3-5,8-9,12-13H,2,6-7,10-11H2,1H3,(H,21,22)/b13-12+",DMKUTXFEEPCGCJ-OUKQBFOZSA-N,C20H21NO3S,355.5,355.1242147,5.2,83.6,501,0,1,4,6,25,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benz(a)anthracene-1,7,12(2H)-trione, 9-(2,6-dideoxy-4-O-((2S-(2-alpha,5-beta(2S*,6R*),6-beta))-5-((5,6-dihydro-6-methyl-5-oxo-2H-pyran-2-yl)oxy)tetrahydro-6-methyl-2H-pyran-2-yl)-beta-D-arabino-hexopyranosyl)-3-((5-((5,6-dihydro-6-methyl-5-oxo-2H-pyran-2-yl)oxy)tetrahydro-6-methyl-2H-pyran-2-yl)oxy)-3,4,4a,12b-tetrahydro-4a,8,12b-trihydroxy-3-methyl-,(3R-(3-alpha(2S*,5S*(2R*,6S*)6S*),4a-alpha,12a-alpha))-",78164-00-8,73213,"(3R,4aR,12bS)-4a,8,12b-trihydroxy-9-[(2R,4R,5S,6R)-4-hydroxy-6-methyl-5-[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxyoxan-2-yl]-3-methyl-3-[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxy-2,4-dihydrobenzo[a]anthracene-1,7,12-trione",C[C@H]1[C@H](CC[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@H]2O)C3=C(C4=C(C=C3)C(=O)C5=C(C4=O)C=C[C@]6([C@@]5(C(=O)C[C@](C6)(C)O[C@H]7CC[C@@H]([C@@H](O7)C)O[C@H]8C=CC(=O)[C@@H](O8)C)O)O)O)C)O[C@H]9C=CC(=O)[C@@H](O9)C,"InChI=1S/C49H58O18/c1-22-30(50)9-13-37(60-22)64-33-11-15-39(62-24(33)3)66-46-26(5)59-35(19-32(46)52)27-7-8-28-41(43(27)54)44(55)29-17-18-48(57)21-47(6,20-36(53)49(48,58)42(29)45(28)56)67-40-16-12-34(25(4)63-40)65-38-14-10-31(51)23(2)61-38/h7-10,13-14,17-18,22-26,32-35,37-40,46,52,54,57-58H,11-12,15-16,19-21H2,1-6H3/t22-,23-,24-,25-,26+,32+,33-,34-,35+,37-,38-,39-,40-,46+,47-,48-,49-/m0/s1",YHSTYYHRDFATAQ-XURVNGJNSA-N,C49H58O18,935,934.362315,2.3,249,2120,0,4,18,9,67,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Retinoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester,(1aR-(1a-alpha,1b-beta,4a-beta,7a-alpha,7b-alpha,8-alpha,9-beta,9a-alpha))-",80188-99-4,6437064,"[(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate",C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)OC(=O)C)OC(=O)/C=C(\C)/C=C/C=C(\C)/C=C/C5=C(CCCC5(C)C)C,"InChI=1S/C42H56O8/c1-24(16-17-31-26(3)15-12-18-38(31,7)8)13-11-14-25(2)19-34(45)49-37-28(5)41(48)32(35-39(9,10)42(35,37)50-29(6)44)21-30(23-43)22-40(47)33(41)20-27(4)36(40)46/h11,13-14,16-17,19-21,28,32-33,35,37,43,47-48H,12,15,18,22-23H2,1-10H3/b14-11+,17-16+,24-13+,25-19+/t28-,32+,33-,35-,37-,40-,41-,42-/m1/s1",GTNCUWBKHZZECN-IXTPSRJDSA-N,C42H56O8,688.9,688.3975187,6.4,130,1680,0,3,8,10,50,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5H-Indeno(1,2-c)pyridazine-3(2H),5-dione",81198-22-3,3067299,"2H-indeno[1,2-c]pyridazine-3,5-dione",C1=CC=C2C(=C1)C3=NNC(=O)C=C3C2=O,"InChI=1S/C11H6N2O2/c14-9-5-8-10(13-12-9)6-3-1-2-4-7(6)11(8)15/h1-5H,(H,12,14)",LECUEVGPHXYPCK-UHFFFAOYSA-N,C11H6N2O2,198.18,198.0429274,1,58.5,409,0,1,3,0,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propen-1-one, 1-(3-methyl-1,4-dioxy-2-quinoxalinyl)-3-phenyl-",81810-66-4,359862,1-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-3-phenylprop-2-en-1-one,CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C=CC3=CC=CC=C3,"InChI=1S/C18H14N2O3/c1-13-18(17(21)12-11-14-7-3-2-4-8-14)20(23)16-10-6-5-9-15(16)19(13)22/h2-12H,1H3",IOKWXGMNRWVQHX-UHFFFAOYSA-N,C18H14N2O3,306.3,306.1004423,2.4,63.5,546,0,0,4,3,23,,,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1
"5H-Thiazolo(3,2-a)pyrimidin-5-one, 6-(2-(4-(bis(4-fluorophenyl)methylene)-1-piperidinyl)ethyl)-7-methyl-",87051-43-2,5074,"6-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one",CC1=C(C(=O)N2C=CSC2=N1)CCN3CCC(=C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)CC3,"InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3",JUQLTPCYUFPYKE-UHFFFAOYSA-N,C27H25F2N3OS,477.6,477.1686399,5.2,61.2,877,0,0,6,5,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"7-Oxabicyclo(2.2.1)heptane, 1-methyl-4-(1-methylethyl)-2-((2-methylphenyl)methoxy)-, exo-(+-)-",87818-31-3,91745,"(1S,2R,4R)-1-methyl-2-[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane",CC1=CC=CC=C1CO[C@@H]2C[C@]3(CC[C@@]2(O3)C)C(C)C,"InChI=1S/C18H26O2/c1-13(2)18-10-9-17(4,20-18)16(11-18)19-12-15-8-6-5-7-14(15)3/h5-8,13,16H,9-12H2,1-4H3/t16-,17+,18-/m1/s1",QMTNOLKHSWIQBE-FGTMMUONSA-N,C18H26O2,274.4,274.1932801,3.8,18.5,353,0,0,2,4,20,,,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Cyclohexen-1-one, 2-(1-(ethoxyimino)propyl)-3-hydroxy-5-(2,4,6-trimethylphenyl)-",87820-88-0,135492483,"2-[(E)-N-ethoxy-C-ethylcarbonimidoyl]-3-hydroxy-5-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one",CC/C(=N\OCC)/C1=C(CC(CC1=O)C2=C(C=C(C=C2C)C)C)O,"InChI=1S/C20H27NO3/c1-6-16(21-24-7-2)20-17(22)10-15(11-18(20)23)19-13(4)8-12(3)9-14(19)5/h8-9,15,22H,6-7,10-11H2,1-5H3/b21-16+",DQFPEYARZIQXRM-LTGZKZEYSA-N,C20H27NO3,329.4,329.1990937,4.1,58.9,511,0,1,4,5,24,,,0,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Pyrrolidineacetamide, 2-oxo-N-(phenylmethyl)-",105479-05-8,854073,N-benzyl-2-(2-oxopyrrolidin-1-yl)acetamide,C1CC(=O)N(C1)CC(=O)NCC2=CC=CC=C2,"InChI=1S/C13H16N2O2/c16-12(10-15-8-4-7-13(15)17)14-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,14,16)",ZDRGKCOOCZCMQF-UHFFFAOYSA-N,C13H16N2O2,232.28,232.1211778,0.6,49.4,285,0,1,2,4,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Morpholine, 4-(3-(4-fluorophenyl)-1-oxo-2-propenyl)-",105919-42-4,923524,(E)-3-(4-fluorophenyl)-1-morpholin-4-ylprop-2-en-1-one,C1COCCN1C(=O)/C=C/C2=CC=C(C=C2)F,"InChI=1S/C13H14FNO2/c14-12-4-1-11(2-5-12)3-6-13(16)15-7-9-17-10-8-15/h1-6H,7-10H2/b6-3+",DLDOPPUZJCILPO-ZZXKWVIFSA-N,C13H14FNO2,235.25,235.1008569,1.5,29.5,279,0,0,3,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"10H-Thieno(2,3-b)(1,5)benzodiazepine, 2-methyl-4-(4-methyl-1-piperazinyl)-",132539-06-1,135398745,"2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine",CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C,"InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3",KVWDHTXUZHCGIO-UHFFFAOYSA-N,C17H20N4S,312.4,312.1408678,2.9,59.1,432,0,1,4,1,22,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,1,1
"2-Thiophenepropanoic acid, alpha-((2-butyl-1-((4-carboxyphenyl)methyl)-lH-imidazol-5-yl)methylene)-, (alpha-E)-",133040-01-4,5281037,4-[[2-butyl-5-[(E)-2-carboxy-3-thiophen-2-ylprop-1-enyl]imidazol-1-yl]methyl]benzoic acid,CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)/C=C(\CC3=CC=CS3)/C(=O)O,"InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+",OROAFUQRIXKEMV-LDADJPATSA-N,C23H24N2O4S,424.5,424.1456784,4.5,121,618,0,2,6,10,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-Propanol, 1-phenoxy-3-((1-phenyl-1H-tetrazol-5-yl)thio)-",133506-57-7,3077108,1-phenoxy-3-(1-phenyltetrazol-5-yl)sulfanylpropan-2-ol,C1=CC=C(C=C1)N2C(=NN=N2)SCC(COC3=CC=CC=C3)O,"InChI=1S/C16H16N4O2S/c21-14(11-22-15-9-5-2-6-10-15)12-23-16-17-18-19-20(16)13-7-3-1-4-8-13/h1-10,14,21H,11-12H2",SQJDUZFJPBJXGL-UHFFFAOYSA-N,C16H16N4O2S,328.4,328.0993969,3.1,98.4,338,0,1,6,7,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Oxazolidinone, 4-((3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)methyl)-, (S)-",139264-17-8,60857,"(4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one",CN(C)CCC1=CNC2=C1C=C(C=C2)C[C@H]3COC(=O)N3,"InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1",ULSDMUVEXKOYBU-ZDUSSCGKSA-N,C16H21N3O2,287.36,287.1633769,2.2,57.4,375,0,2,3,5,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"L-Tyrosine, N-(butylsulfonyl)-O-(4-(4-piperidinyl)butyl)-",144494-65-5,60947,(2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid,CCCCS(=O)(=O)N[C@@H](CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)O,"InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1",COKMIXFXJJXBQG-NRFANRHFSA-N,C22H36N2O5S,440.6,440.2344934,1.4,113,579,0,3,7,14,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Ciguatoxin CTX 3C,148471-85-6,23427919,"(1R,3S,4Z,7R,9S,11R,13S,19R,20R,21S,23R,26S,28R,30Z,33S,35R,37S,39R,41S,43R,44S,45S,46R,48S,49S,50S,51R,53S,55R,57R,59S,60R)-44,45,50,55,59-pentamethylspiro[2,8,12,18,22,27,34,38,42,47,52,58-dodecaoxadodecacyclo[31.28.0.03,28.07,26.09,23.011,21.013,19.035,59.037,57.039,53.041,51.043,48]henhexaconta-4,15,24,30-tetraene-46,2'-oxolane]-20,49,60-triol",C[C@@H]1C[C@H]2[C@@H](C[C@H]3[C@H](O2)[C@H]([C@@H]([C@H]4[C@H](O3)[C@H]([C@@H]([C@]5(O4)CCCO5)C)C)O)C)O[C@H]6C[C@@H]7[C@]([C@@H](C[C@@H]8[C@@H](O7)C/C=C\C[C@@H]9[C@@H](O8)/C=C\C[C@@H]2[C@@H](O9)C=C[C@@H]3[C@@H](O2)C[C@@H]2[C@@H](O3)[C@@H]([C@@H]3[C@@H](O2)CC=CCO3)O)O)(O[C@@H]6C1)C,"InChI=1S/C57H82O16/c1-28-22-39-41(25-45-51(70-39)30(3)49(59)55-52(71-45)29(2)31(4)57(73-55)19-11-21-62-57)67-43-27-48-56(5,72-44(43)23-28)47(58)26-42-35(68-48)13-7-6-12-32-33(65-42)15-10-16-34-36(63-32)17-18-37-40(64-34)24-46-54(69-37)50(60)53-38(66-46)14-8-9-20-61-53/h6-10,15,17-18,28-55,58-60H,11-14,16,19-27H2,1-5H3/b7-6-,15-10-/t28-,29+,30+,31+,32-,33+,34-,35+,36+,37-,38+,39+,40+,41-,42-,43+,44-,45+,46-,47-,48-,49+,50-,51-,52-,53+,54-,55+,56+,57-/m1/s1",BFXGFCYTZARNGN-YUTMJQEESA-N,C57H82O16,1023.2,1022.560287,4.7,181,2090,0,3,16,0,73,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"Oxazole, 2-(2,6-difluorophenyl)-4-(4-(1,1-dimethylethyl)-2-ethoxyphenyl)-4,5-dihydro-",153233-91-1,153974,"4-(4-tert-butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole",CCOC1=C(C=CC(=C1)C(C)(C)C)C2COC(=N2)C3=C(C=CC=C3F)F,"InChI=1S/C21H23F2NO2/c1-5-25-18-11-13(21(2,3)4)9-10-14(18)17-12-26-20(24-17)19-15(22)7-6-8-16(19)23/h6-11,17H,5,12H2,1-4H3",IXSZQYVWNJNRAL-UHFFFAOYSA-N,C21H23F2NO2,359.4,359.1696853,5.4,30.8,495,0,0,5,5,26,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Piperidine, 1-(6-quinoxalinylcarbonyl)-",154235-83-3,148184,piperidin-1-yl(quinoxalin-6-yl)methanone,C1CCN(CC1)C(=O)C2=CC3=NC=CN=C3C=C2,"InChI=1S/C14H15N3O/c18-14(17-8-2-1-3-9-17)11-4-5-12-13(10-11)16-7-6-15-12/h4-7,10H,1-3,8-9H2",ANDGGVOPIJEHOF-UHFFFAOYSA-N,C14H15N3O,241.29,241.1215121,1.8,46.1,301,0,0,3,1,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetamide, N-(((5S)-3-(3-fluoro-4-(4-morpholinyl)phenyl)-2-oxo-5-oxazolidinyl)methyl)-",165800-03-3,441401,"N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide",CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F,"InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1",TYZROVQLWOKYKF-ZDUSSCGKSA-N,C16H20FN3O4,337.35,337.1437843,0.7,71.1,472,0,1,6,4,24,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"3-Pyrrolidinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1-(2-(dibutylamino)-2-oxoethyl)-2-(4-methoxyphenyl)-, (2R,3R,4S)-",173937-91-2,159594,"(2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid",CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4,"InChI=1S/C29H38N2O6/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)/t23-,27-,28+/m1/s1",MOTJMGVDPWRKOC-QPVYNBJUSA-N,C29H38N2O6,510.6,510.2729869,2.4,88.5,734,0,1,7,12,37,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0
"L-Cysteinamide, N(sup 6)-(aminoiminomethyl)-N(sup 2)-(3-mercapto-1-oxopropyl)-L-lysylglycyl-L-alpha-aspartyl-L-tryptophyl-L-prolyl-, cyclic (1-6)-disulfide",188627-80-7,448812,"2-[(3S,6S,12S,20R,23S)-20-carbamoyl-12-[4-(diaminomethylideneamino)butyl]-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,22-hexaoxo-17,18-dithia-1,4,7,10,13,21-hexazabicyclo[21.3.0]hexacosan-6-yl]acetic acid",C1C[C@H]2C(=O)N[C@@H](CSSCCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N2C1)CC3=CNC4=CC=CC=C43)CC(=O)O)CCCCN=C(N)N)C(=O)N,"InChI=1S/C35H49N11O9S2/c36-30(51)25-18-57-56-13-10-27(47)42-22(8-3-4-11-39-35(37)38)31(52)41-17-28(48)43-23(15-29(49)50)32(53)44-24(14-19-16-40-21-7-2-1-6-20(19)21)34(55)46-12-5-9-26(46)33(54)45-25/h1-2,6-7,16,22-26,40H,3-5,8-15,17-18H2,(H2,36,51)(H,41,52)(H,42,47)(H,43,48)(H,44,53)(H,45,54)(H,49,50)(H4,37,38,39)/t22-,23-,24-,25-,26-/m0/s1",CZKPOZZJODAYPZ-LROMGURASA-N,C35H49N11O9S2,832,831.3156145,-2.4,377,1520,0,10,12,10,57,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1
"Cyclopent(b)indole-3-acetic acid, 4-((4-chlorophenyl)methyl)-7-fluoro-1,2,3,4-tetrahydro-5-(methylsulfonyl)-, (3R)-",571170-77-9,9867642,"2-[(3R)-4-[(4-chlorophenyl)methyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid",CS(=O)(=O)C1=CC(=CC2=C1N(C3=C2CC[C@@H]3CC(=O)O)CC4=CC=C(C=C4)Cl)F,"InChI=1S/C21H19ClFNO4S/c1-29(27,28)18-10-15(23)9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18)11-12-2-5-14(22)6-3-12/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26)/t13-/m1/s1",NXFFJDQHYLNEJK-CYBMUJFWSA-N,C21H19ClFNO4S,435.9,435.0707351,3.5,84.8,721,0,1,5,5,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Pyrazole-4-carboxamide, 3-(difluoromethyl)-1-methyl-N-(1,2,3,4-tetrahydro-9-(1-methylethyl)-1,4-methanonaphthalen-5-yl)-",881685-58-1,25271089,"3-(difluoromethyl)-1-methyl-N-(11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyrazole-4-carboxamide",CC(C)C1C2CCC1C3=C2C=CC=C3NC(=O)C4=CN(N=C4C(F)F)C,"InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)",XTDZGXBTXBEZDN-UHFFFAOYSA-N,C20H23F2N3O,359.4,359.1809187,4,46.9,543,0,1,4,4,26,,,1,0,0,0,0,1,1,0,0,0,0,0,0,1,0,0,0,1,0,0
"Cyclobutanecarboxamide, N-1H-indazol-5-yl-",886625-06-5,6466029,N-(1H-indazol-5-yl)cyclobutanecarboxamide,C1CC(C1)C(=O)NC2=CC3=C(C=C2)NN=C3,"InChI=1S/C12H13N3O/c16-12(8-2-1-3-8)14-10-4-5-11-9(6-10)7-13-15-11/h4-8H,1-3H2,(H,13,15)(H,14,16)",GXJXOQKXBIPBKB-UHFFFAOYSA-N,C12H13N3O,215.25,215.105862,2.4,57.8,277,0,2,2,2,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzonitrile, 4-((1,3-dihydro-1-hydroxy-2,1-benzoxaborol-5-yl)oxy)-",906673-24-3,44591583,"4-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]benzonitrile",B1(C2=C(CO1)C=C(C=C2)OC3=CC=C(C=C3)C#N)O,"InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2",USZAGAREISWJDP-UHFFFAOYSA-N,C14H10BNO3,251.05,251.0753733,,62.5,361,0,1,4,2,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Propanoic acid, 2-(((S)-(((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-fluoro-3-hydroxy-4-methyltetrahydro-2-furanyl)methoxy)phenoxyphosphinyl)amino)-, 1-methylethyl ester, (2S)-",1190307-88-0,45375808,"propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate",C[C@@H](C(=O)OC(C)C)N[P@](=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC(=O)NC2=O)(C)F)O)OC3=CC=CC=C3,"InChI=1S/C22H29FN3O9P/c1-13(2)33-19(29)14(3)25-36(31,35-15-8-6-5-7-9-15)32-12-16-18(28)22(4,23)20(34-16)26-11-10-17(27)24-21(26)30/h5-11,13-14,16,18,20,28H,12H2,1-4H3,(H,25,31)(H,24,27,30)/t14-,16+,18+,20+,22+,36-/m0/s1",TTZHDVOVKQGIBA-IQWMDFIBSA-N,C22H29FN3O9P,529.5,529.1625447,1,153,913,0,3,11,11,36,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"1H-Indazole-4-carboxamide, N-((1,2-dihydro-6-methyl-2-oxo-4-propyl-3-pyridinyl)methyl)-1-(1-methylethyl)-6-(2-(4-methyl-1-piperazinyl)-4-pyridinyl)-",1346704-33-3,71268957,N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1-propan-2-ylindazole-4-carboxamide,CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C,"InChI=1S/C31H39N7O2/c1-6-7-23-14-21(4)35-31(40)26(23)18-33-30(39)25-15-24(16-28-27(25)19-34-38(28)20(2)3)22-8-9-32-29(17-22)37-12-10-36(5)11-13-37/h8-9,14-17,19-20H,6-7,10-13,18H2,1-5H3,(H,33,39)(H,35,40)",ULNXAWLQFZMIHX-UHFFFAOYSA-N,C31H39N7O2,541.7,541.3165235,4,95.4,986,0,2,6,8,40,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-1-Benzothiopyran-4-one, 2,3-dihydro-5-methoxy-2-((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)-, 1-oxide",,95225,thiochromen-4-one,C1=CC=C2C(=C1)C(=O)C=CS2,InChI=1S/C9H6OS/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,DHSYDTXGFJPXKA-UHFFFAOYSA-N,C9H6OS,162.21,162.013936,2.1,42.4,198,0,0,2,0,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Pyrazolo(3,4-c)pyridazin-3-amine, 5-(2-phenylpyrazolo(1,5-a)pyridin-3-yl)-",,11493598,"5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amine",C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N,"InChI=1S/C18H13N7/c19-17-12-10-13(20-22-18(12)23-21-17)15-14-8-4-5-9-25(14)24-16(15)11-6-2-1-3-7-11/h1-10H,(H3,19,21,22,23)",XVECMUKVOMUNLE-UHFFFAOYSA-N,C18H13N7,327.3,327.1232434,1.9,97.8,468,0,2,5,2,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0